data_4985 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4985 _Entry.Title ; Letter to the Editor: 1H, 13C, and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-06 _Entry.Accession_date 2001-04-07 _Entry.Last_release_date 2001-10-08 _Entry.Original_release_date 2001-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nathalie Sibille . . . 4985 2 Jacques Coves . . . 4985 3 Dominique Marion . . . 4985 4 Bernhard Brutscher . . . 4985 5 Beate Bersch . . . 4985 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4985 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 4985 '1H chemical shifts' 1068 4985 '15N chemical shifts' 166 4985 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 . . 2001-10-08 2001-04-06 original author . 4985 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4985 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 71 _Citation.Page_last 72 _Citation.Year 2001 _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 Nathalie Sibille . . . 4985 1 2 Jacques Coves . . . 4985 1 3 Dominique Marion . . . 4985 1 4 Bernhard Brutscher . . . 4985 1 5 Beate Bersch . . . 4985 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'sulfite reductase' 4985 1 flavoprotein 4985 1 'electron transfer' 4985 1 'NMR resonance assignment' 4985 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SiR-FP18 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SiR-FP18 _Assembly.Entry_ID 4985 _Assembly.ID 1 _Assembly.Name 'flavodoxin-like domain of the Escherichia coli sulfite reductase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.8.1.2. _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4985 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'flavodoxin-like domain' 1 $SiR-FP18 . . . native . . . . . 4985 1 2 'flavin mononucleotide' 2 $FMN . . . native . . . . . 4985 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1DDI . . . . . 'the flavodoxin-like domain studied here was absent from the electron density mao' 4985 1 . PDB 1DDG . . . . . 'the flavodoxin-like domain studied here was absent from the electron density mao' 4985 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'flavodoxin-like domain of the Escherichia coli sulfite reductase' system 4985 1 SiR-FP18 abbreviation 4985 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'NADPH dependent sulfite reduction' 4985 1 'electron transfer' 4985 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SiR-FP18 _Entity.Sf_category entity _Entity.Sf_framecode SiR-FP18 _Entity.Entry_ID 4985 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sulfite reductase flavodoxin-like domain' _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 ; ATPAPAAEMPGITIISASQT GNARRVAEALRDDLLAAKLN VKLVNAGDYKFKQIASEKLL IVVTSTQGEGEPPEEAVALH KFLFSKKAPKLENTAFAVFS LGDTSYEFFCQSGKDFDSKL AELGGERLLDRVDADVEYQA AASEWRARVVDALKSRAPVA APSQSVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17870 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YKG . "Solution Structure Of The Flavodoxin-Like Domain From The Escherichia Coli Sulfite Reductase" . . . . . 100.00 167 100.00 100.00 4.10e-115 . . . . 4985 1 2 no DBJ BAB37042 . "sulfite reductase (NADPH beta subunit [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 599 98.80 99.40 1.91e-107 . . . . 4985 1 3 no DBJ BAE76841 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 599 99.40 100.00 5.98e-108 . . . . 4985 1 4 no DBJ BAG78544 . "sulfite reductase beta subunit [Escherichia coli SE11]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 5 no DBJ BAI27026 . "sulfite reductase, alpha subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 6 no DBJ BAI32055 . "sulfite reductase, alpha subunit [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 7 no EMBL CAP77195 . "Sulfite reductase [NadPH] flavoprotein alpha-component [Escherichia coli LF82]" . . . . . 100.00 599 99.40 100.00 5.31e-108 . . . . 4985 1 8 no EMBL CAQ33089 . "sulfite reductase, flavoprotein subunit, subunit of sulfite reductase, flavoprotein subunit complex and sulfite reductase [Esch" . . . . . 100.00 599 99.40 100.00 6.88e-108 . . . . 4985 1 9 no EMBL CAQ87864 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 599 98.20 98.80 6.87e-107 . . . . 4985 1 10 no EMBL CAQ99689 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia coli IAI1]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 11 no EMBL CAR04272 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia coli S88]" . . . . . 100.00 599 99.40 100.00 4.72e-108 . . . . 4985 1 12 no GB AAA23650 . "NADPH-sulfite reducatase flavoprotein component [Escherichia coli]" . . . . . 100.00 599 100.00 100.00 1.61e-108 . . . . 4985 1 13 no GB AAA69274 . "sulfite reductase (NADPH) flavoprotein beta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 599 99.40 100.00 5.98e-108 . . . . 4985 1 14 no GB AAC75806 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 599 99.40 100.00 5.98e-108 . . . . 4985 1 15 no GB AAG57872 . "sulfite reductase (NADPH), flavoprotein beta subunit [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 599 98.80 99.40 1.91e-107 . . . . 4985 1 16 no GB AAN44269 . "sulfite reductase (NADPH), flavoprotein beta subunit [Shigella flexneri 2a str. 301]" . . . . . 99.40 599 98.80 100.00 4.42e-107 . . . . 4985 1 17 no REF NP_289314 . "sulfite reductase subunit alpha [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 599 98.80 99.40 1.91e-107 . . . . 4985 1 18 no REF NP_311646 . "sulfite reductase subunit alpha [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 599 98.80 99.40 1.91e-107 . . . . 4985 1 19 no REF NP_417244 . "sulfite reductase, alpha subunit, flavoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 599 99.40 100.00 5.98e-108 . . . . 4985 1 20 no REF NP_708562 . "sulfite reductase subunit alpha [Shigella flexneri 2a str. 301]" . . . . . 99.40 599 98.80 100.00 4.42e-107 . . . . 4985 1 21 no REF NP_755202 . "sulfite reductase subunit alpha [Escherichia coli CFT073]" . . . . . 100.00 599 99.40 100.00 6.38e-108 . . . . 4985 1 22 no SP A1AEV0 . "RecName: Full=Sulfite reductase [NADPH] flavoprotein alpha-component; Short=SiR-FP [Escherichia coli APEC O1]" . . . . . 100.00 599 99.40 100.00 4.72e-108 . . . . 4985 1 23 no SP A7ZQK7 . "RecName: Full=Sulfite reductase [NADPH] flavoprotein alpha-component; Short=SiR-FP [Escherichia coli E24377A]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 24 no SP A8A3P5 . "RecName: Full=Sulfite reductase [NADPH] flavoprotein alpha-component; Short=SiR-FP [Escherichia coli HS]" . . . . . 100.00 599 98.20 98.80 6.66e-107 . . . . 4985 1 25 no SP B1IU77 . "RecName: Full=Sulfite reductase [NADPH] flavoprotein alpha-component; Short=SiR-FP [Escherichia coli ATCC 8739]" . . . . . 100.00 599 99.40 100.00 6.66e-108 . . . . 4985 1 26 no SP P38038 . "RecName: Full=Sulfite reductase [NADPH] flavoprotein alpha-component; Short=SiR-FP [Escherichia coli K-12]" . . . . . 100.00 599 99.40 100.00 5.98e-108 . . . . 4985 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sulfite reductase flavodoxin-like domain' common 4985 1 SiR-FP18 abbreviation 4985 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 52 ALA . 4985 1 2 53 THR . 4985 1 3 54 PRO . 4985 1 4 55 ALA . 4985 1 5 56 PRO . 4985 1 6 57 ALA . 4985 1 7 58 ALA . 4985 1 8 59 GLU . 4985 1 9 60 MET . 4985 1 10 61 PRO . 4985 1 11 62 GLY . 4985 1 12 63 ILE . 4985 1 13 64 THR . 4985 1 14 65 ILE . 4985 1 15 66 ILE . 4985 1 16 67 SER . 4985 1 17 68 ALA . 4985 1 18 69 SER . 4985 1 19 70 GLN . 4985 1 20 71 THR . 4985 1 21 72 GLY . 4985 1 22 73 ASN . 4985 1 23 74 ALA . 4985 1 24 75 ARG . 4985 1 25 76 ARG . 4985 1 26 77 VAL . 4985 1 27 78 ALA . 4985 1 28 79 GLU . 4985 1 29 80 ALA . 4985 1 30 81 LEU . 4985 1 31 82 ARG . 4985 1 32 83 ASP . 4985 1 33 84 ASP . 4985 1 34 85 LEU . 4985 1 35 86 LEU . 4985 1 36 87 ALA . 4985 1 37 88 ALA . 4985 1 38 89 LYS . 4985 1 39 90 LEU . 4985 1 40 91 ASN . 4985 1 41 92 VAL . 4985 1 42 93 LYS . 4985 1 43 94 LEU . 4985 1 44 95 VAL . 4985 1 45 96 ASN . 4985 1 46 97 ALA . 4985 1 47 98 GLY . 4985 1 48 99 ASP . 4985 1 49 100 TYR . 4985 1 50 101 LYS . 4985 1 51 102 PHE . 4985 1 52 103 LYS . 4985 1 53 104 GLN . 4985 1 54 105 ILE . 4985 1 55 106 ALA . 4985 1 56 107 SER . 4985 1 57 108 GLU . 4985 1 58 109 LYS . 4985 1 59 110 LEU . 4985 1 60 111 LEU . 4985 1 61 112 ILE . 4985 1 62 113 VAL . 4985 1 63 114 VAL . 4985 1 64 115 THR . 4985 1 65 116 SER . 4985 1 66 117 THR . 4985 1 67 118 GLN . 4985 1 68 119 GLY . 4985 1 69 120 GLU . 4985 1 70 121 GLY . 4985 1 71 122 GLU . 4985 1 72 123 PRO . 4985 1 73 124 PRO . 4985 1 74 125 GLU . 4985 1 75 126 GLU . 4985 1 76 127 ALA . 4985 1 77 128 VAL . 4985 1 78 129 ALA . 4985 1 79 130 LEU . 4985 1 80 131 HIS . 4985 1 81 132 LYS . 4985 1 82 133 PHE . 4985 1 83 134 LEU . 4985 1 84 135 PHE . 4985 1 85 136 SER . 4985 1 86 137 LYS . 4985 1 87 138 LYS . 4985 1 88 139 ALA . 4985 1 89 140 PRO . 4985 1 90 141 LYS . 4985 1 91 142 LEU . 4985 1 92 143 GLU . 4985 1 93 144 ASN . 4985 1 94 145 THR . 4985 1 95 146 ALA . 4985 1 96 147 PHE . 4985 1 97 148 ALA . 4985 1 98 149 VAL . 4985 1 99 150 PHE . 4985 1 100 151 SER . 4985 1 101 152 LEU . 4985 1 102 153 GLY . 4985 1 103 154 ASP . 4985 1 104 155 THR . 4985 1 105 156 SER . 4985 1 106 157 TYR . 4985 1 107 158 GLU . 4985 1 108 159 PHE . 4985 1 109 160 PHE . 4985 1 110 161 CYS . 4985 1 111 162 GLN . 4985 1 112 163 SER . 4985 1 113 164 GLY . 4985 1 114 165 LYS . 4985 1 115 166 ASP . 4985 1 116 167 PHE . 4985 1 117 168 ASP . 4985 1 118 169 SER . 4985 1 119 170 LYS . 4985 1 120 171 LEU . 4985 1 121 172 ALA . 4985 1 122 173 GLU . 4985 1 123 174 LEU . 4985 1 124 175 GLY . 4985 1 125 176 GLY . 4985 1 126 177 GLU . 4985 1 127 178 ARG . 4985 1 128 179 LEU . 4985 1 129 180 LEU . 4985 1 130 181 ASP . 4985 1 131 182 ARG . 4985 1 132 183 VAL . 4985 1 133 184 ASP . 4985 1 134 185 ALA . 4985 1 135 186 ASP . 4985 1 136 187 VAL . 4985 1 137 188 GLU . 4985 1 138 189 TYR . 4985 1 139 190 GLN . 4985 1 140 191 ALA . 4985 1 141 192 ALA . 4985 1 142 193 ALA . 4985 1 143 194 SER . 4985 1 144 195 GLU . 4985 1 145 196 TRP . 4985 1 146 197 ARG . 4985 1 147 198 ALA . 4985 1 148 199 ARG . 4985 1 149 200 VAL . 4985 1 150 201 VAL . 4985 1 151 202 ASP . 4985 1 152 203 ALA . 4985 1 153 204 LEU . 4985 1 154 205 LYS . 4985 1 155 206 SER . 4985 1 156 207 ARG . 4985 1 157 208 ALA . 4985 1 158 209 PRO . 4985 1 159 210 VAL . 4985 1 160 211 ALA . 4985 1 161 212 ALA . 4985 1 162 213 PRO . 4985 1 163 214 SER . 4985 1 164 215 GLN . 4985 1 165 216 SER . 4985 1 166 217 VAL . 4985 1 167 218 ALA . 4985 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 . ALA 1 1 4985 1 . THR 2 2 4985 1 . PRO 3 3 4985 1 . ALA 4 4 4985 1 . PRO 5 5 4985 1 . ALA 6 6 4985 1 . ALA 7 7 4985 1 . GLU 8 8 4985 1 . MET 9 9 4985 1 . PRO 10 10 4985 1 . GLY 11 11 4985 1 . ILE 12 12 4985 1 . THR 13 13 4985 1 . ILE 14 14 4985 1 . ILE 15 15 4985 1 . SER 16 16 4985 1 . ALA 17 17 4985 1 . SER 18 18 4985 1 . GLN 19 19 4985 1 . THR 20 20 4985 1 . GLY 21 21 4985 1 . ASN 22 22 4985 1 . ALA 23 23 4985 1 . ARG 24 24 4985 1 . ARG 25 25 4985 1 . VAL 26 26 4985 1 . ALA 27 27 4985 1 . GLU 28 28 4985 1 . ALA 29 29 4985 1 . LEU 30 30 4985 1 . ARG 31 31 4985 1 . ASP 32 32 4985 1 . ASP 33 33 4985 1 . LEU 34 34 4985 1 . LEU 35 35 4985 1 . ALA 36 36 4985 1 . ALA 37 37 4985 1 . LYS 38 38 4985 1 . LEU 39 39 4985 1 . ASN 40 40 4985 1 . VAL 41 41 4985 1 . LYS 42 42 4985 1 . LEU 43 43 4985 1 . VAL 44 44 4985 1 . ASN 45 45 4985 1 . ALA 46 46 4985 1 . GLY 47 47 4985 1 . ASP 48 48 4985 1 . TYR 49 49 4985 1 . LYS 50 50 4985 1 . PHE 51 51 4985 1 . LYS 52 52 4985 1 . GLN 53 53 4985 1 . ILE 54 54 4985 1 . ALA 55 55 4985 1 . SER 56 56 4985 1 . GLU 57 57 4985 1 . LYS 58 58 4985 1 . LEU 59 59 4985 1 . LEU 60 60 4985 1 . ILE 61 61 4985 1 . VAL 62 62 4985 1 . VAL 63 63 4985 1 . THR 64 64 4985 1 . SER 65 65 4985 1 . THR 66 66 4985 1 . GLN 67 67 4985 1 . GLY 68 68 4985 1 . GLU 69 69 4985 1 . GLY 70 70 4985 1 . GLU 71 71 4985 1 . PRO 72 72 4985 1 . PRO 73 73 4985 1 . GLU 74 74 4985 1 . GLU 75 75 4985 1 . ALA 76 76 4985 1 . VAL 77 77 4985 1 . ALA 78 78 4985 1 . LEU 79 79 4985 1 . HIS 80 80 4985 1 . LYS 81 81 4985 1 . PHE 82 82 4985 1 . LEU 83 83 4985 1 . PHE 84 84 4985 1 . SER 85 85 4985 1 . LYS 86 86 4985 1 . LYS 87 87 4985 1 . ALA 88 88 4985 1 . PRO 89 89 4985 1 . LYS 90 90 4985 1 . LEU 91 91 4985 1 . GLU 92 92 4985 1 . ASN 93 93 4985 1 . THR 94 94 4985 1 . ALA 95 95 4985 1 . PHE 96 96 4985 1 . ALA 97 97 4985 1 . VAL 98 98 4985 1 . PHE 99 99 4985 1 . SER 100 100 4985 1 . LEU 101 101 4985 1 . GLY 102 102 4985 1 . ASP 103 103 4985 1 . THR 104 104 4985 1 . SER 105 105 4985 1 . TYR 106 106 4985 1 . GLU 107 107 4985 1 . PHE 108 108 4985 1 . PHE 109 109 4985 1 . CYS 110 110 4985 1 . GLN 111 111 4985 1 . SER 112 112 4985 1 . GLY 113 113 4985 1 . LYS 114 114 4985 1 . ASP 115 115 4985 1 . PHE 116 116 4985 1 . ASP 117 117 4985 1 . SER 118 118 4985 1 . LYS 119 119 4985 1 . LEU 120 120 4985 1 . ALA 121 121 4985 1 . GLU 122 122 4985 1 . LEU 123 123 4985 1 . GLY 124 124 4985 1 . GLY 125 125 4985 1 . GLU 126 126 4985 1 . ARG 127 127 4985 1 . LEU 128 128 4985 1 . LEU 129 129 4985 1 . ASP 130 130 4985 1 . ARG 131 131 4985 1 . VAL 132 132 4985 1 . ASP 133 133 4985 1 . ALA 134 134 4985 1 . ASP 135 135 4985 1 . VAL 136 136 4985 1 . GLU 137 137 4985 1 . TYR 138 138 4985 1 . GLN 139 139 4985 1 . ALA 140 140 4985 1 . ALA 141 141 4985 1 . ALA 142 142 4985 1 . SER 143 143 4985 1 . GLU 144 144 4985 1 . TRP 145 145 4985 1 . ARG 146 146 4985 1 . ALA 147 147 4985 1 . ARG 148 148 4985 1 . VAL 149 149 4985 1 . VAL 150 150 4985 1 . ASP 151 151 4985 1 . ALA 152 152 4985 1 . LEU 153 153 4985 1 . LYS 154 154 4985 1 . SER 155 155 4985 1 . ARG 156 156 4985 1 . ALA 157 157 4985 1 . PRO 158 158 4985 1 . VAL 159 159 4985 1 . ALA 160 160 4985 1 . ALA 161 161 4985 1 . PRO 162 162 4985 1 . SER 163 163 4985 1 . GLN 164 164 4985 1 . SER 165 165 4985 1 . VAL 166 166 4985 1 . ALA 167 167 4985 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 4985 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . FMN . 4985 2 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 4985 _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 $SiR-FP18 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . cytoplasm . . . . . . . . 4985 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 4985 _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 $SiR-FP18 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-30c . . . . . . 4985 1 2 2 $FMN . vendor . . . . . . . . . . . . . . . . . . . . . . . . Sigma . ; Aproximately 30% of the purified potein contained natural FMN. After purification, the protein was partially reconstituted with commercial FMN (ca 70%) ; . . 4985 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 4985 _Chem_comp.ID FMN _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:31:59 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 4985 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 4985 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 4985 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4985 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4985 FMN InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 InChI InChI 1.03 4985 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 4985 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 4985 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4985 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 4985 FMN C2 . C2 . . C . . N 0 . . . . yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 4985 FMN O2 . O2 . . O . . N 0 . . . . no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 4985 FMN N3 . N3 . . N . . N 0 . . . . yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 4985 FMN C4 . C4 . . C . . N 0 . . . . yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 4985 FMN O4 . O4 . . O . . N 0 . . . . no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 4985 FMN C4A . C4A . . C . . N 0 . . . . yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 4985 FMN N5 . N5 . . N . . N 0 . . . . yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 4985 FMN C5A . C5A . . C . . N 0 . . . . yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 4985 FMN C6 . C6 . . C . . N 0 . . . . yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 4985 FMN C7 . C7 . . C . . N 0 . . . . yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 4985 FMN C7M . C7M . . C . . N 0 . . . . no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 4985 FMN C8 . C8 . . C . . N 0 . . . . yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 4985 FMN C8M . C8M . . C . . N 0 . . . . no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 4985 FMN C9 . C9 . . C . . N 0 . . . . yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 4985 FMN C9A . C9A . . C . . N 0 . . . . yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 4985 FMN N10 . N10 . . N . . N 0 . . . . yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 4985 FMN C10 . C10 . . C . . N 0 . . . . yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 4985 FMN C1' . C1' . . C . . N 0 . . . . no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 4985 FMN C2' . C2' . . C . . S 0 . . . . no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 4985 FMN O2' . O2' . . O . . N 0 . . . . no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 4985 FMN C3' . C3' . . C . . S 0 . . . . no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 4985 FMN O3' . O3' . . O . . N 0 . . . . no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 4985 FMN C4' . C4' . . C . . R 0 . . . . no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 4985 FMN O4' . O4' . . O . . N 0 . . . . no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 4985 FMN C5' . C5' . . C . . N 0 . . . . no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 4985 FMN O5' . O5' . . O . . N 0 . . . . no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 4985 FMN P . P . . P . . N 0 . . . . no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 4985 FMN O1P . O1P . . O . . N 0 . . . . no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 4985 FMN O2P . O2P . . O . . N 0 . . . . no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 4985 FMN O3P . O3P . . O . . N 0 . . . . no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 4985 FMN HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 4985 FMN H6 . H6 . . H . . N 0 . . . . no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 4985 FMN HM71 . HM71 . . H . . N 0 . . . . no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 4985 FMN HM72 . HM72 . . H . . N 0 . . . . no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 4985 FMN HM73 . HM73 . . H . . N 0 . . . . no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 4985 FMN HM81 . HM81 . . H . . N 0 . . . . no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 4985 FMN HM82 . HM82 . . H . . N 0 . . . . no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 4985 FMN HM83 . HM83 . . H . . N 0 . . . . no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 4985 FMN H9 . H9 . . H . . N 0 . . . . no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 4985 FMN H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 4985 FMN H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 4985 FMN H2' . H2' . . H . . N 0 . . . . no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 4985 FMN HO2' . HO2' . . H . . N 0 . . . . no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 4985 FMN H3' . H3' . . H . . N 0 . . . . no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 4985 FMN HO3' . HO3' . . H . . N 0 . . . . no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 4985 FMN H4' . H4' . . H . . N 0 . . . . no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 4985 FMN HO4' . HO4' . . H . . N 0 . . . . no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 4985 FMN H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 4985 FMN H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 4985 FMN HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 4985 FMN HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 4985 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 4985 FMN 2 . DOUB N1 C10 yes N 2 . 4985 FMN 3 . DOUB C2 O2 no N 3 . 4985 FMN 4 . SING C2 N3 yes N 4 . 4985 FMN 5 . SING N3 C4 yes N 5 . 4985 FMN 6 . SING N3 HN3 no N 6 . 4985 FMN 7 . DOUB C4 O4 no N 7 . 4985 FMN 8 . SING C4 C4A yes N 8 . 4985 FMN 9 . DOUB C4A N5 yes N 9 . 4985 FMN 10 . SING C4A C10 yes N 10 . 4985 FMN 11 . SING N5 C5A yes N 11 . 4985 FMN 12 . DOUB C5A C6 yes N 12 . 4985 FMN 13 . SING C5A C9A yes N 13 . 4985 FMN 14 . SING C6 C7 yes N 14 . 4985 FMN 15 . SING C6 H6 no N 15 . 4985 FMN 16 . SING C7 C7M no N 16 . 4985 FMN 17 . DOUB C7 C8 yes N 17 . 4985 FMN 18 . SING C7M HM71 no N 18 . 4985 FMN 19 . SING C7M HM72 no N 19 . 4985 FMN 20 . SING C7M HM73 no N 20 . 4985 FMN 21 . SING C8 C8M no N 21 . 4985 FMN 22 . SING C8 C9 yes N 22 . 4985 FMN 23 . SING C8M HM81 no N 23 . 4985 FMN 24 . SING C8M HM82 no N 24 . 4985 FMN 25 . SING C8M HM83 no N 25 . 4985 FMN 26 . DOUB C9 C9A yes N 26 . 4985 FMN 27 . SING C9 H9 no N 27 . 4985 FMN 28 . SING C9A N10 yes N 28 . 4985 FMN 29 . SING N10 C10 yes N 29 . 4985 FMN 30 . SING N10 C1' no N 30 . 4985 FMN 31 . SING C1' C2' no N 31 . 4985 FMN 32 . SING C1' H1'1 no N 32 . 4985 FMN 33 . SING C1' H1'2 no N 33 . 4985 FMN 34 . SING C2' O2' no N 34 . 4985 FMN 35 . SING C2' C3' no N 35 . 4985 FMN 36 . SING C2' H2' no N 36 . 4985 FMN 37 . SING O2' HO2' no N 37 . 4985 FMN 38 . SING C3' O3' no N 38 . 4985 FMN 39 . SING C3' C4' no N 39 . 4985 FMN 40 . SING C3' H3' no N 40 . 4985 FMN 41 . SING O3' HO3' no N 41 . 4985 FMN 42 . SING C4' O4' no N 42 . 4985 FMN 43 . SING C4' C5' no N 43 . 4985 FMN 44 . SING C4' H4' no N 44 . 4985 FMN 45 . SING O4' HO4' no N 45 . 4985 FMN 46 . SING C5' O5' no N 46 . 4985 FMN 47 . SING C5' H5'1 no N 47 . 4985 FMN 48 . SING C5' H5'2 no N 48 . 4985 FMN 49 . SING O5' P no N 49 . 4985 FMN 50 . DOUB P O1P no N 50 . 4985 FMN 51 . SING P O2P no N 51 . 4985 FMN 52 . SING P O3P no N 52 . 4985 FMN 53 . SING O2P HOP2 no N 53 . 4985 FMN 54 . SING O3P HOP3 no N 54 . 4985 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_2H _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_2H _Sample.Entry_ID 4985 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sulfite reductase flavodoxin-like domain' '[U-98% 15N; U-98% 13C; U-77% 2H]' . . 1 $SiR-FP18 . . 1.4 . . mM . . . . 4985 1 2 'FLAVIN MONONUCLEOTIDE' . . . 2 $FMN . . 1.54 . . mM . . . . 4985 1 3 'potassium phosphate' . . . . . . . 100 . . mM . . . . 4985 1 4 H2O . . . . . . . 90 . . % . . . . 4985 1 5 D2O . . . . . . . 10 . . % . . . . 4985 1 stop_ save_ save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 4985 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sulfite reductase flavodoxin-like domain' '[U-98% 15N; U-98% 13C]' . . 1 $SiR-FP18 . . 1.8 . . mM . . . . 4985 2 2 'FLAVIN MONONUCLEOTIDE' . . . 2 $FMN . . 1.98 . . mM . . . . 4985 2 3 'potassium phosphate' . . . . . . . 100 . . mM . . . . 4985 2 4 H2O . . . . . . . 90 . . % . . . . 4985 2 5 D2O . . . . . . . 10 . . % . . . . 4985 2 stop_ save_ save_13C_15N(D2O) _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N(D2O) _Sample.Entry_ID 4985 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sulfite reductase flavodoxin-like domain' '[U-98% 15N; U-98% 13C]' . . 1 $SiR-FP18 . . 1.8 . . mM . . . . 4985 3 2 'FLAVIN MONONUCLEOTIDE' . . . 2 $FMN . . 1.98 . . mM . . . . 4985 3 3 'potassium phosphate' . . . . . . . 100 . . mM . . . . 4985 3 4 D2O . . . . . . . 100 . . % . . . . 4985 3 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 4985 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sulfite reductase flavodoxin-like domain' '[U-98% 13C]' . . 1 $SiR-FP18 . . 1.3 . . mM . . . . 4985 4 2 'FLAVIN MONONUCLEOTIDE' . . . 2 $FMN . . 1.43 . . mM . . . . 4985 4 3 'potassium phosphate' . . . . . . . 100 . . mM . . . . 4985 4 4 H2O . . . . . . . 90 . . % . . . . 4985 4 5 D2O . . . . . . . 10 . . % . . . . 4985 4 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4985 _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 7.0 0.2 n/a 4985 1 temperature 303 0.1 K 4985 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4985 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4985 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4985 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4985 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 4985 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 4985 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 4985 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 2 HNCO . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 3 MQ-HNCOCA . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 4 MQ-COHNCA . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 6 HN(CA)CB . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 7 HN(COCA)CB . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 8 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 9 '15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 10 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 11 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 12 (H)CCH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4985 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name MQ-HNCOCA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name MQ-COHNCA _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(COCA)CB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N NOESY-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N TOCSY-HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CCO)NH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4985 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (H)CCH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $FELIX _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_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4985 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4985 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4985 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4985 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $13C_15N_2H . 4985 1 . . 2 $13C_15N . 4985 1 . . 3 $13C_15N(D2O) . 4985 1 . . 4 $15N . 4985 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 176.1 0.2 . 1 . . . . . . . . 4985 1 2 . 1 1 3 3 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 4985 1 3 . 1 1 3 3 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4985 1 4 . 1 1 3 3 PRO CD C 13 51.3 0.2 . 1 . . . . . . . . 4985 1 5 . 1 1 3 3 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4985 1 6 . 1 1 4 4 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 4985 1 7 . 1 1 4 4 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 4985 1 8 . 1 1 4 4 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4985 1 9 . 1 1 4 4 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4985 1 10 . 1 1 4 4 ALA N N 15 125.7 0.2 . 1 . . . . . . . . 4985 1 11 . 1 1 5 5 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 4985 1 12 . 1 1 5 5 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 4985 1 13 . 1 1 5 5 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4985 1 14 . 1 1 5 5 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 4985 1 15 . 1 1 5 5 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4985 1 16 . 1 1 5 5 PRO HA H 1 4.38 0.05 . 1 . . . . . . . . 4985 1 17 . 1 1 5 5 PRO HB2 H 1 1.88 0.05 . 1 . . . . . . . . 4985 1 18 . 1 1 5 5 PRO HB3 H 1 1.88 0.05 . 1 . . . . . . . . 4985 1 19 . 1 1 5 5 PRO HD2 H 1 3.77 0.05 . 1 . . . . . . . . 4985 1 20 . 1 1 5 5 PRO HD3 H 1 3.77 0.05 . 1 . . . . . . . . 4985 1 21 . 1 1 5 5 PRO HG2 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 22 . 1 1 5 5 PRO HG3 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 23 . 1 1 6 6 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 4985 1 24 . 1 1 6 6 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 4985 1 25 . 1 1 6 6 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 4985 1 26 . 1 1 6 6 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 4985 1 27 . 1 1 6 6 ALA HA H 1 4.30 0.05 . 1 . . . . . . . . 4985 1 28 . 1 1 6 6 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4985 1 29 . 1 1 6 6 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4985 1 30 . 1 1 6 6 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4985 1 31 . 1 1 6 6 ALA N N 15 124.0 0.2 . 1 . . . . . . . . 4985 1 32 . 1 1 7 7 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 4985 1 33 . 1 1 7 7 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 4985 1 34 . 1 1 7 7 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4985 1 35 . 1 1 7 7 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4985 1 36 . 1 1 7 7 ALA HA H 1 4.29 0.05 . 1 . . . . . . . . 4985 1 37 . 1 1 7 7 ALA HB1 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 38 . 1 1 7 7 ALA HB2 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 39 . 1 1 7 7 ALA HB3 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 40 . 1 1 7 7 ALA N N 15 122.8 0.2 . 1 . . . . . . . . 4985 1 41 . 1 1 8 8 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 4985 1 42 . 1 1 8 8 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4985 1 43 . 1 1 8 8 GLU CB C 13 31.2 0.2 . 1 . . . . . . . . 4985 1 44 . 1 1 8 8 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4985 1 45 . 1 1 8 8 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 4985 1 46 . 1 1 8 8 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4985 1 47 . 1 1 8 8 GLU HB2 H 1 1.88 0.05 . 2 . . . . . . . . 4985 1 48 . 1 1 8 8 GLU HB3 H 1 2.00 0.05 . 2 . . . . . . . . 4985 1 49 . 1 1 8 8 GLU HG2 H 1 2.21 0.05 . 2 . . . . . . . . 4985 1 50 . 1 1 8 8 GLU HG3 H 1 2.31 0.05 . 2 . . . . . . . . 4985 1 51 . 1 1 8 8 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 4985 1 52 . 1 1 9 9 MET C C 13 174.1 0.2 . 1 . . . . . . . . 4985 1 53 . 1 1 9 9 MET CA C 13 52.9 0.2 . 1 . . . . . . . . 4985 1 54 . 1 1 9 9 MET CB C 13 31.8 0.2 . 1 . . . . . . . . 4985 1 55 . 1 1 9 9 MET CG C 13 33.0 0.2 . 1 . . . . . . . . 4985 1 56 . 1 1 9 9 MET H H 1 8.40 0.02 . 1 . . . . . . . . 4985 1 57 . 1 1 9 9 MET HA H 1 4.75 0.05 . 1 . . . . . . . . 4985 1 58 . 1 1 9 9 MET HB2 H 1 2.62 0.05 . 2 . . . . . . . . 4985 1 59 . 1 1 9 9 MET HB3 H 1 2.67 0.05 . 2 . . . . . . . . 4985 1 60 . 1 1 9 9 MET HG2 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 61 . 1 1 9 9 MET HG3 H 1 2.09 0.05 . 2 . . . . . . . . 4985 1 62 . 1 1 9 9 MET N N 15 123.3 0.2 . 1 . . . . . . . . 4985 1 63 . 1 1 10 10 PRO C C 13 176.2 0.2 . 1 . . . . . . . . 4985 1 64 . 1 1 10 10 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 4985 1 65 . 1 1 10 10 PRO CB C 13 32.4 0.2 . 1 . . . . . . . . 4985 1 66 . 1 1 10 10 PRO CD C 13 50.9 0.2 . 1 . . . . . . . . 4985 1 67 . 1 1 10 10 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4985 1 68 . 1 1 10 10 PRO HA H 1 4.45 0.05 . 1 . . . . . . . . 4985 1 69 . 1 1 10 10 PRO HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4985 1 70 . 1 1 10 10 PRO HB3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 71 . 1 1 10 10 PRO HD2 H 1 3.77 0.05 . 2 . . . . . . . . 4985 1 72 . 1 1 10 10 PRO HD3 H 1 3.88 0.05 . 2 . . . . . . . . 4985 1 73 . 1 1 10 10 PRO HG2 H 1 1.44 0.05 . 2 . . . . . . . . 4985 1 74 . 1 1 10 10 PRO HG3 H 1 2.01 0.05 . 2 . . . . . . . . 4985 1 75 . 1 1 11 11 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 4985 1 76 . 1 1 11 11 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4985 1 77 . 1 1 11 11 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 4985 1 78 . 1 1 11 11 GLY HA2 H 1 3.65 0.05 . 2 . . . . . . . . 4985 1 79 . 1 1 11 11 GLY HA3 H 1 4.17 0.05 . 2 . . . . . . . . 4985 1 80 . 1 1 11 11 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4985 1 81 . 1 1 12 12 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 4985 1 82 . 1 1 12 12 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4985 1 83 . 1 1 12 12 ILE CB C 13 41.0 0.2 . 1 . . . . . . . . 4985 1 84 . 1 1 12 12 ILE CD1 C 13 17.6 0.2 . 1 . . . . . . . . 4985 1 85 . 1 1 12 12 ILE CG1 C 13 29.1 0.2 . 1 . . . . . . . . 4985 1 86 . 1 1 12 12 ILE CG2 C 13 18.5 0.2 . 1 . . . . . . . . 4985 1 87 . 1 1 12 12 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 4985 1 88 . 1 1 12 12 ILE HA H 1 4.55 0.05 . 1 . . . . . . . . 4985 1 89 . 1 1 12 12 ILE HB H 1 1.62 0.05 . 1 . . . . . . . . 4985 1 90 . 1 1 12 12 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 4985 1 91 . 1 1 12 12 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 4985 1 92 . 1 1 12 12 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 4985 1 93 . 1 1 12 12 ILE HG12 H 1 0.97 0.05 . 2 . . . . . . . . 4985 1 94 . 1 1 12 12 ILE HG13 H 1 1.68 0.05 . 2 . . . . . . . . 4985 1 95 . 1 1 12 12 ILE HG21 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 96 . 1 1 12 12 ILE HG22 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 97 . 1 1 12 12 ILE HG23 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 98 . 1 1 12 12 ILE N N 15 123.2 0.2 . 1 . . . . . . . . 4985 1 99 . 1 1 13 13 THR C C 13 172.8 0.2 . 1 . . . . . . . . 4985 1 100 . 1 1 13 13 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 4985 1 101 . 1 1 13 13 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4985 1 102 . 1 1 13 13 THR CG2 C 13 22.9 0.2 . 1 . . . . . . . . 4985 1 103 . 1 1 13 13 THR H H 1 8.74 0.02 . 1 . . . . . . . . 4985 1 104 . 1 1 13 13 THR HA H 1 4.95 0.05 . 1 . . . . . . . . 4985 1 105 . 1 1 13 13 THR HB H 1 3.85 0.05 . 1 . . . . . . . . 4985 1 106 . 1 1 13 13 THR HG21 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 107 . 1 1 13 13 THR HG22 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 108 . 1 1 13 13 THR HG23 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 109 . 1 1 13 13 THR N N 15 127.1 0.2 . 1 . . . . . . . . 4985 1 110 . 1 1 14 14 ILE C C 13 174.3 0.2 . 1 . . . . . . . . 4985 1 111 . 1 1 14 14 ILE CA C 13 59.1 0.2 . 1 . . . . . . . . 4985 1 112 . 1 1 14 14 ILE CB C 13 40.5 0.2 . 1 . . . . . . . . 4985 1 113 . 1 1 14 14 ILE CD1 C 13 15.4 0.2 . 1 . . . . . . . . 4985 1 114 . 1 1 14 14 ILE CG1 C 13 26.5 0.2 . 1 . . . . . . . . 4985 1 115 . 1 1 14 14 ILE CG2 C 13 18.2 0.2 . 1 . . . . . . . . 4985 1 116 . 1 1 14 14 ILE H H 1 8.99 0.02 . 1 . . . . . . . . 4985 1 117 . 1 1 14 14 ILE HA H 1 4.95 0.05 . 1 . . . . . . . . 4985 1 118 . 1 1 14 14 ILE HB H 1 1.62 0.05 . 1 . . . . . . . . 4985 1 119 . 1 1 14 14 ILE HD11 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 120 . 1 1 14 14 ILE HD12 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 121 . 1 1 14 14 ILE HD13 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 122 . 1 1 14 14 ILE HG12 H 1 1.51 0.05 . 1 . . . . . . . . 4985 1 123 . 1 1 14 14 ILE HG13 H 1 1.51 0.05 . 1 . . . . . . . . 4985 1 124 . 1 1 14 14 ILE HG21 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 125 . 1 1 14 14 ILE HG22 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 126 . 1 1 14 14 ILE HG23 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 127 . 1 1 14 14 ILE N N 15 126.4 0.2 . 1 . . . . . . . . 4985 1 128 . 1 1 15 15 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 4985 1 129 . 1 1 15 15 ILE CA C 13 59.2 0.2 . 1 . . . . . . . . 4985 1 130 . 1 1 15 15 ILE CB C 13 39.7 0.2 . 1 . . . . . . . . 4985 1 131 . 1 1 15 15 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 4985 1 132 . 1 1 15 15 ILE CG1 C 13 27.2 0.2 . 1 . . . . . . . . 4985 1 133 . 1 1 15 15 ILE CG2 C 13 16.3 0.2 . 1 . . . . . . . . 4985 1 134 . 1 1 15 15 ILE H H 1 9.30 0.02 . 1 . . . . . . . . 4985 1 135 . 1 1 15 15 ILE HA H 1 4.91 0.05 . 1 . . . . . . . . 4985 1 136 . 1 1 15 15 ILE HB H 1 1.38 0.05 . 1 . . . . . . . . 4985 1 137 . 1 1 15 15 ILE HG12 H 1 0.24 0.05 . 2 . . . . . . . . 4985 1 138 . 1 1 15 15 ILE HG13 H 1 1.09 0.05 . 2 . . . . . . . . 4985 1 139 . 1 1 15 15 ILE HG21 H 1 0.39 0.05 . 1 . . . . . . . . 4985 1 140 . 1 1 15 15 ILE HG22 H 1 0.39 0.05 . 1 . . . . . . . . 4985 1 141 . 1 1 15 15 ILE HG23 H 1 0.39 0.05 . 1 . . . . . . . . 4985 1 142 . 1 1 15 15 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 4985 1 143 . 1 1 16 16 SER C C 13 172.8 0.2 . 1 . . . . . . . . 4985 1 144 . 1 1 16 16 SER CA C 13 56.0 0.2 . 1 . . . . . . . . 4985 1 145 . 1 1 16 16 SER CB C 13 64.6 0.2 . 1 . . . . . . . . 4985 1 146 . 1 1 16 16 SER H H 1 7.98 0.02 . 1 . . . . . . . . 4985 1 147 . 1 1 16 16 SER HA H 1 4.97 0.05 . 1 . . . . . . . . 4985 1 148 . 1 1 16 16 SER HB2 H 1 3.23 0.05 . 2 . . . . . . . . 4985 1 149 . 1 1 16 16 SER HB3 H 1 3.71 0.05 . 2 . . . . . . . . 4985 1 150 . 1 1 16 16 SER N N 15 119.4 0.2 . 1 . . . . . . . . 4985 1 151 . 1 1 17 17 ALA C C 13 174.2 0.2 . 1 . . . . . . . . 4985 1 152 . 1 1 17 17 ALA CA C 13 49.4 0.2 . 1 . . . . . . . . 4985 1 153 . 1 1 17 17 ALA CB C 13 21.0 0.2 . 1 . . . . . . . . 4985 1 154 . 1 1 17 17 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 4985 1 155 . 1 1 17 17 ALA HA H 1 4.94 0.05 . 1 . . . . . . . . 4985 1 156 . 1 1 17 17 ALA HB1 H 1 1.17 0.05 . 1 . . . . . . . . 4985 1 157 . 1 1 17 17 ALA HB2 H 1 1.17 0.05 . 1 . . . . . . . . 4985 1 158 . 1 1 17 17 ALA HB3 H 1 1.17 0.05 . 1 . . . . . . . . 4985 1 159 . 1 1 17 17 ALA N N 15 131.3 0.2 . 1 . . . . . . . . 4985 1 160 . 1 1 18 18 SER C C 13 173.9 0.2 . 1 . . . . . . . . 4985 1 161 . 1 1 18 18 SER CA C 13 56.2 0.2 . 1 . . . . . . . . 4985 1 162 . 1 1 18 18 SER CB C 13 67.8 0.2 . 1 . . . . . . . . 4985 1 163 . 1 1 18 18 SER H H 1 9.77 0.02 . 1 . . . . . . . . 4985 1 164 . 1 1 18 18 SER HA H 1 4.93 0.05 . 1 . . . . . . . . 4985 1 165 . 1 1 18 18 SER HB2 H 1 3.38 0.05 . 2 . . . . . . . . 4985 1 166 . 1 1 18 18 SER HB3 H 1 3.48 0.05 . 2 . . . . . . . . 4985 1 167 . 1 1 18 18 SER N N 15 118.3 0.2 . 1 . . . . . . . . 4985 1 168 . 1 1 19 19 GLN C C 13 177.8 0.2 . 1 . . . . . . . . 4985 1 169 . 1 1 19 19 GLN CA C 13 57.1 0.2 . 1 . . . . . . . . 4985 1 170 . 1 1 19 19 GLN CB C 13 31.4 0.2 . 1 . . . . . . . . 4985 1 171 . 1 1 19 19 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 4985 1 172 . 1 1 19 19 GLN H H 1 10.63 0.02 . 1 . . . . . . . . 4985 1 173 . 1 1 19 19 GLN HA H 1 4.55 0.05 . 1 . . . . . . . . 4985 1 174 . 1 1 19 19 GLN HB2 H 1 1.83 0.05 . 2 . . . . . . . . 4985 1 175 . 1 1 19 19 GLN HB3 H 1 2.23 0.05 . 2 . . . . . . . . 4985 1 176 . 1 1 19 19 GLN HG2 H 1 2.35 0.05 . 1 . . . . . . . . 4985 1 177 . 1 1 19 19 GLN HG3 H 1 2.35 0.05 . 1 . . . . . . . . 4985 1 178 . 1 1 19 19 GLN HE21 H 1 6.96 0.05 . 2 . . . . . . . . 4985 1 179 . 1 1 19 19 GLN HE22 H 1 7.44 0.05 . 2 . . . . . . . . 4985 1 180 . 1 1 19 19 GLN N N 15 132.6 0.2 . 1 . . . . . . . . 4985 1 181 . 1 1 19 19 GLN NE2 N 15 113.4 0.2 . 1 . . . . . . . . 4985 1 182 . 1 1 20 20 THR C C 13 175.1 0.2 . 1 . . . . . . . . 4985 1 183 . 1 1 20 20 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 4985 1 184 . 1 1 20 20 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 4985 1 185 . 1 1 20 20 THR CG2 C 13 23.1 0.2 . 1 . . . . . . . . 4985 1 186 . 1 1 20 20 THR H H 1 9.08 0.02 . 1 . . . . . . . . 4985 1 187 . 1 1 20 20 THR HA H 1 4.62 0.05 . 1 . . . . . . . . 4985 1 188 . 1 1 20 20 THR HB H 1 4.70 0.05 . 1 . . . . . . . . 4985 1 189 . 1 1 20 20 THR HG21 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 190 . 1 1 20 20 THR HG22 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 191 . 1 1 20 20 THR HG23 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 192 . 1 1 20 20 THR N N 15 109.2 0.2 . 1 . . . . . . . . 4985 1 193 . 1 1 21 21 GLY C C 13 175.6 0.2 . 1 . . . . . . . . 4985 1 194 . 1 1 21 21 GLY CA C 13 46.8 0.2 . 1 . . . . . . . . 4985 1 195 . 1 1 21 21 GLY H H 1 7.70 0.02 . 1 . . . . . . . . 4985 1 196 . 1 1 21 21 GLY HA2 H 1 3.58 0.05 . 2 . . . . . . . . 4985 1 197 . 1 1 21 21 GLY HA3 H 1 4.34 0.05 . 2 . . . . . . . . 4985 1 198 . 1 1 21 21 GLY N N 15 110.3 0.2 . 1 . . . . . . . . 4985 1 199 . 1 1 22 22 ASN C C 13 178.1 0.2 . 1 . . . . . . . . 4985 1 200 . 1 1 22 22 ASN CA C 13 57.2 0.2 . 1 . . . . . . . . 4985 1 201 . 1 1 22 22 ASN CB C 13 36.9 0.2 . 1 . . . . . . . . 4985 1 202 . 1 1 22 22 ASN H H 1 10.94 0.02 . 1 . . . . . . . . 4985 1 203 . 1 1 22 22 ASN HA H 1 4.28 0.05 . 1 . . . . . . . . 4985 1 204 . 1 1 22 22 ASN HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4985 1 205 . 1 1 22 22 ASN HB3 H 1 3.32 0.05 . 2 . . . . . . . . 4985 1 206 . 1 1 22 22 ASN HD21 H 1 6.89 0.05 . 2 . . . . . . . . 4985 1 207 . 1 1 22 22 ASN HD22 H 1 7.46 0.05 . 2 . . . . . . . . 4985 1 208 . 1 1 22 22 ASN N N 15 128.6 0.2 . 1 . . . . . . . . 4985 1 209 . 1 1 22 22 ASN ND2 N 15 111.5 0.2 . 1 . . . . . . . . 4985 1 210 . 1 1 23 23 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 4985 1 211 . 1 1 23 23 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 4985 1 212 . 1 1 23 23 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4985 1 213 . 1 1 23 23 ALA H H 1 11.59 0.02 . 1 . . . . . . . . 4985 1 214 . 1 1 23 23 ALA HA H 1 3.54 0.05 . 1 . . . . . . . . 4985 1 215 . 1 1 23 23 ALA HB1 H 1 1.24 0.05 . 1 . . . . . . . . 4985 1 216 . 1 1 23 23 ALA HB2 H 1 1.24 0.05 . 1 . . . . . . . . 4985 1 217 . 1 1 23 23 ALA HB3 H 1 1.24 0.05 . 1 . . . . . . . . 4985 1 218 . 1 1 23 23 ALA N N 15 126.2 0.2 . 1 . . . . . . . . 4985 1 219 . 1 1 24 24 ARG C C 13 177.9 0.2 . 1 . . . . . . . . 4985 1 220 . 1 1 24 24 ARG CA C 13 57.8 0.2 . 1 . . . . . . . . 4985 1 221 . 1 1 24 24 ARG CB C 13 28.3 0.2 . 1 . . . . . . . . 4985 1 222 . 1 1 24 24 ARG CD C 13 42.3 0.2 . 1 . . . . . . . . 4985 1 223 . 1 1 24 24 ARG CG C 13 26.7 0.2 . 1 . . . . . . . . 4985 1 224 . 1 1 24 24 ARG H H 1 6.51 0.02 . 1 . . . . . . . . 4985 1 225 . 1 1 24 24 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 4985 1 226 . 1 1 24 24 ARG HB2 H 1 1.79 0.05 . 1 . . . . . . . . 4985 1 227 . 1 1 24 24 ARG HB3 H 1 1.79 0.05 . 1 . . . . . . . . 4985 1 228 . 1 1 24 24 ARG HD2 H 1 3.15 0.05 . 2 . . . . . . . . 4985 1 229 . 1 1 24 24 ARG HD3 H 1 3.23 0.05 . 2 . . . . . . . . 4985 1 230 . 1 1 24 24 ARG HG2 H 1 1.37 0.05 . 1 . . . . . . . . 4985 1 231 . 1 1 24 24 ARG HG3 H 1 1.37 0.05 . 1 . . . . . . . . 4985 1 232 . 1 1 24 24 ARG N N 15 114.3 0.2 . 1 . . . . . . . . 4985 1 233 . 1 1 25 25 ARG C C 13 180.9 0.2 . 1 . . . . . . . . 4985 1 234 . 1 1 25 25 ARG CA C 13 59.7 0.2 . 1 . . . . . . . . 4985 1 235 . 1 1 25 25 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 236 . 1 1 25 25 ARG CD C 13 43.6 0.2 . 1 . . . . . . . . 4985 1 237 . 1 1 25 25 ARG CG C 13 28.4 0.2 . 1 . . . . . . . . 4985 1 238 . 1 1 25 25 ARG H H 1 7.88 0.02 . 1 . . . . . . . . 4985 1 239 . 1 1 25 25 ARG HA H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 240 . 1 1 25 25 ARG HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 241 . 1 1 25 25 ARG HB3 H 1 2.20 0.05 . 2 . . . . . . . . 4985 1 242 . 1 1 25 25 ARG HD2 H 1 3.26 0.05 . 2 . . . . . . . . 4985 1 243 . 1 1 25 25 ARG HD3 H 1 3.33 0.05 . 2 . . . . . . . . 4985 1 244 . 1 1 25 25 ARG HG2 H 1 1.79 0.05 . 2 . . . . . . . . 4985 1 245 . 1 1 25 25 ARG HG3 H 1 1.91 0.05 . 2 . . . . . . . . 4985 1 246 . 1 1 25 25 ARG N N 15 119.4 0.2 . 1 . . . . . . . . 4985 1 247 . 1 1 26 26 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 4985 1 248 . 1 1 26 26 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 4985 1 249 . 1 1 26 26 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 4985 1 250 . 1 1 26 26 VAL CG1 C 13 23.1 0.2 . 2 . . . . . . . . 4985 1 251 . 1 1 26 26 VAL CG2 C 13 20.8 0.2 . 2 . . . . . . . . 4985 1 252 . 1 1 26 26 VAL H H 1 7.77 0.02 . 1 . . . . . . . . 4985 1 253 . 1 1 26 26 VAL HA H 1 3.62 0.05 . 1 . . . . . . . . 4985 1 254 . 1 1 26 26 VAL HB H 1 2.06 0.05 . 1 . . . . . . . . 4985 1 255 . 1 1 26 26 VAL HG11 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 256 . 1 1 26 26 VAL HG12 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 257 . 1 1 26 26 VAL HG13 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 258 . 1 1 26 26 VAL HG21 H 1 0.53 0.05 . 1 . . . . . . . . 4985 1 259 . 1 1 26 26 VAL HG22 H 1 0.53 0.05 . 1 . . . . . . . . 4985 1 260 . 1 1 26 26 VAL HG23 H 1 0.53 0.05 . 1 . . . . . . . . 4985 1 261 . 1 1 26 26 VAL N N 15 121.9 0.2 . 1 . . . . . . . . 4985 1 262 . 1 1 27 27 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 4985 1 263 . 1 1 27 27 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4985 1 264 . 1 1 27 27 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 4985 1 265 . 1 1 27 27 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 4985 1 266 . 1 1 27 27 ALA HA H 1 4.11 0.05 . 1 . . . . . . . . 4985 1 267 . 1 1 27 27 ALA HB1 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 268 . 1 1 27 27 ALA HB2 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 269 . 1 1 27 27 ALA HB3 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 270 . 1 1 27 27 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4985 1 271 . 1 1 28 28 GLU C C 13 177.8 0.2 . 1 . . . . . . . . 4985 1 272 . 1 1 28 28 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 4985 1 273 . 1 1 28 28 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 4985 1 274 . 1 1 28 28 GLU CG C 13 37.7 0.2 . 1 . . . . . . . . 4985 1 275 . 1 1 28 28 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 4985 1 276 . 1 1 28 28 GLU HA H 1 3.58 0.05 . 1 . . . . . . . . 4985 1 277 . 1 1 28 28 GLU HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4985 1 278 . 1 1 28 28 GLU HB3 H 1 2.12 0.05 . 2 . . . . . . . . 4985 1 279 . 1 1 28 28 GLU HG2 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 280 . 1 1 28 28 GLU HG3 H 1 2.54 0.05 . 2 . . . . . . . . 4985 1 281 . 1 1 28 28 GLU N N 15 117.5 0.2 . 1 . . . . . . . . 4985 1 282 . 1 1 29 29 ALA C C 13 179.9 0.2 . 1 . . . . . . . . 4985 1 283 . 1 1 29 29 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4985 1 284 . 1 1 29 29 ALA CB C 13 17.1 0.2 . 1 . . . . . . . . 4985 1 285 . 1 1 29 29 ALA H H 1 7.57 0.02 . 1 . . . . . . . . 4985 1 286 . 1 1 29 29 ALA HA H 1 4.16 0.05 . 1 . . . . . . . . 4985 1 287 . 1 1 29 29 ALA HB1 H 1 1.42 0.05 . 1 . . . . . . . . 4985 1 288 . 1 1 29 29 ALA HB2 H 1 1.42 0.05 . 1 . . . . . . . . 4985 1 289 . 1 1 29 29 ALA HB3 H 1 1.42 0.05 . 1 . . . . . . . . 4985 1 290 . 1 1 29 29 ALA N N 15 121.0 0.2 . 1 . . . . . . . . 4985 1 291 . 1 1 30 30 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4985 1 292 . 1 1 30 30 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4985 1 293 . 1 1 30 30 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 4985 1 294 . 1 1 30 30 LEU CD1 C 13 27.5 0.2 . 2 . . . . . . . . 4985 1 295 . 1 1 30 30 LEU CD2 C 13 22.6 0.2 . 2 . . . . . . . . 4985 1 296 . 1 1 30 30 LEU CG C 13 27.5 0.2 . 1 . . . . . . . . 4985 1 297 . 1 1 30 30 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 4985 1 298 . 1 1 30 30 LEU HA H 1 4.12 0.05 . 1 . . . . . . . . 4985 1 299 . 1 1 30 30 LEU HB2 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 300 . 1 1 30 30 LEU HB3 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 301 . 1 1 30 30 LEU HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 302 . 1 1 30 30 LEU HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 303 . 1 1 30 30 LEU HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 304 . 1 1 30 30 LEU HD21 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 305 . 1 1 30 30 LEU HD22 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 306 . 1 1 30 30 LEU HD23 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 307 . 1 1 30 30 LEU HG H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 308 . 1 1 30 30 LEU N N 15 118.1 0.2 . 1 . . . . . . . . 4985 1 309 . 1 1 31 31 ARG C C 13 177.6 0.2 . 1 . . . . . . . . 4985 1 310 . 1 1 31 31 ARG CA C 13 60.2 0.2 . 1 . . . . . . . . 4985 1 311 . 1 1 31 31 ARG CB C 13 28.2 0.2 . 1 . . . . . . . . 4985 1 312 . 1 1 31 31 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 4985 1 313 . 1 1 31 31 ARG CG C 13 25.3 0.2 . 1 . . . . . . . . 4985 1 314 . 1 1 31 31 ARG H H 1 8.48 0.02 . 1 . . . . . . . . 4985 1 315 . 1 1 31 31 ARG HA H 1 3.60 0.05 . 1 . . . . . . . . 4985 1 316 . 1 1 31 31 ARG HB2 H 1 1.78 0.05 . 1 . . . . . . . . 4985 1 317 . 1 1 31 31 ARG HB3 H 1 1.78 0.05 . 1 . . . . . . . . 4985 1 318 . 1 1 31 31 ARG HD2 H 1 3.25 0.05 . 2 . . . . . . . . 4985 1 319 . 1 1 31 31 ARG HD3 H 1 3.33 0.05 . 2 . . . . . . . . 4985 1 320 . 1 1 31 31 ARG HG2 H 1 1.47 0.05 . 2 . . . . . . . . 4985 1 321 . 1 1 31 31 ARG HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4985 1 322 . 1 1 31 31 ARG N N 15 120.1 0.2 . 1 . . . . . . . . 4985 1 323 . 1 1 32 32 ASP C C 13 179.4 0.2 . 1 . . . . . . . . 4985 1 324 . 1 1 32 32 ASP CA C 13 57.7 0.2 . 1 . . . . . . . . 4985 1 325 . 1 1 32 32 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 4985 1 326 . 1 1 32 32 ASP H H 1 8.20 0.02 . 1 . . . . . . . . 4985 1 327 . 1 1 32 32 ASP HA H 1 4.34 0.05 . 1 . . . . . . . . 4985 1 328 . 1 1 32 32 ASP HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4985 1 329 . 1 1 32 32 ASP HB3 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 330 . 1 1 32 32 ASP N N 15 119.4 0.2 . 1 . . . . . . . . 4985 1 331 . 1 1 33 33 ASP C C 13 179.5 0.2 . 1 . . . . . . . . 4985 1 332 . 1 1 33 33 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4985 1 333 . 1 1 33 33 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 4985 1 334 . 1 1 33 33 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4985 1 335 . 1 1 33 33 ASP HA H 1 4.46 0.05 . 1 . . . . . . . . 4985 1 336 . 1 1 33 33 ASP HB2 H 1 2.41 0.05 . 2 . . . . . . . . 4985 1 337 . 1 1 33 33 ASP HB3 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 338 . 1 1 33 33 ASP N N 15 123.5 0.2 . 1 . . . . . . . . 4985 1 339 . 1 1 34 34 LEU C C 13 179.1 0.2 . 1 . . . . . . . . 4985 1 340 . 1 1 34 34 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 4985 1 341 . 1 1 34 34 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 4985 1 342 . 1 1 34 34 LEU CD1 C 13 26.6 0.2 . 2 . . . . . . . . 4985 1 343 . 1 1 34 34 LEU CG C 13 24.8 0.2 . 1 . . . . . . . . 4985 1 344 . 1 1 34 34 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 4985 1 345 . 1 1 34 34 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 4985 1 346 . 1 1 34 34 LEU HB2 H 1 1.79 0.05 . 2 . . . . . . . . 4985 1 347 . 1 1 34 34 LEU HB3 H 1 2.02 0.05 . 2 . . . . . . . . 4985 1 348 . 1 1 34 34 LEU HD11 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 349 . 1 1 34 34 LEU HD12 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 350 . 1 1 34 34 LEU HD13 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 351 . 1 1 34 34 LEU HD21 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 352 . 1 1 34 34 LEU HD22 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 353 . 1 1 34 34 LEU HD23 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 354 . 1 1 34 34 LEU HG H 1 1.12 0.05 . 1 . . . . . . . . 4985 1 355 . 1 1 34 34 LEU N N 15 121.3 0.2 . 1 . . . . . . . . 4985 1 356 . 1 1 35 35 LEU C C 13 182.7 0.2 . 1 . . . . . . . . 4985 1 357 . 1 1 35 35 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 4985 1 358 . 1 1 35 35 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4985 1 359 . 1 1 35 35 LEU CD1 C 13 26.0 0.2 . 2 . . . . . . . . 4985 1 360 . 1 1 35 35 LEU CD2 C 13 23.0 0.2 . 2 . . . . . . . . 4985 1 361 . 1 1 35 35 LEU CG C 13 26.0 0.2 . 1 . . . . . . . . 4985 1 362 . 1 1 35 35 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 4985 1 363 . 1 1 35 35 LEU HA H 1 4.25 0.05 . 1 . . . . . . . . 4985 1 364 . 1 1 35 35 LEU HB2 H 1 1.45 0.05 . 2 . . . . . . . . 4985 1 365 . 1 1 35 35 LEU HB3 H 1 1.95 0.05 . 2 . . . . . . . . 4985 1 366 . 1 1 35 35 LEU HD11 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 367 . 1 1 35 35 LEU HD12 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 368 . 1 1 35 35 LEU HD13 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 369 . 1 1 35 35 LEU HD21 H 1 0.99 0.05 . 1 . . . . . . . . 4985 1 370 . 1 1 35 35 LEU HD22 H 1 0.99 0.05 . 1 . . . . . . . . 4985 1 371 . 1 1 35 35 LEU HD23 H 1 0.99 0.05 . 1 . . . . . . . . 4985 1 372 . 1 1 35 35 LEU HG H 1 1.45 0.05 . 1 . . . . . . . . 4985 1 373 . 1 1 35 35 LEU N N 15 120.9 0.2 . 1 . . . . . . . . 4985 1 374 . 1 1 36 36 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4985 1 375 . 1 1 36 36 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 4985 1 376 . 1 1 36 36 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4985 1 377 . 1 1 36 36 ALA H H 1 8.09 0.02 . 1 . . . . . . . . 4985 1 378 . 1 1 36 36 ALA HA H 1 4.16 0.05 . 1 . . . . . . . . 4985 1 379 . 1 1 36 36 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 4985 1 380 . 1 1 36 36 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 4985 1 381 . 1 1 36 36 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 4985 1 382 . 1 1 36 36 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4985 1 383 . 1 1 37 37 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 4985 1 384 . 1 1 37 37 ALA CA C 13 51.4 0.2 . 1 . . . . . . . . 4985 1 385 . 1 1 37 37 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4985 1 386 . 1 1 37 37 ALA H H 1 7.22 0.02 . 1 . . . . . . . . 4985 1 387 . 1 1 37 37 ALA HA H 1 4.28 0.05 . 1 . . . . . . . . 4985 1 388 . 1 1 37 37 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 389 . 1 1 37 37 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 390 . 1 1 37 37 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 391 . 1 1 37 37 ALA N N 15 119.6 0.2 . 1 . . . . . . . . 4985 1 392 . 1 1 38 38 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 4985 1 393 . 1 1 38 38 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 4985 1 394 . 1 1 38 38 LYS CB C 13 28.3 0.2 . 1 . . . . . . . . 4985 1 395 . 1 1 38 38 LYS CD C 13 28.8 0.2 . 1 . . . . . . . . 4985 1 396 . 1 1 38 38 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 4985 1 397 . 1 1 38 38 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4985 1 398 . 1 1 38 38 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4985 1 399 . 1 1 38 38 LYS HA H 1 3.85 0.05 . 1 . . . . . . . . 4985 1 400 . 1 1 38 38 LYS HB2 H 1 1.91 0.05 . 2 . . . . . . . . 4985 1 401 . 1 1 38 38 LYS HB3 H 1 2.21 0.05 . 2 . . . . . . . . 4985 1 402 . 1 1 38 38 LYS HD2 H 1 1.67 0.05 . 1 . . . . . . . . 4985 1 403 . 1 1 38 38 LYS HD3 H 1 1.67 0.05 . 1 . . . . . . . . 4985 1 404 . 1 1 38 38 LYS HE2 H 1 3.00 0.05 . 2 . . . . . . . . 4985 1 405 . 1 1 38 38 LYS HE3 H 1 3.05 0.05 . 2 . . . . . . . . 4985 1 406 . 1 1 38 38 LYS HG2 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 407 . 1 1 38 38 LYS HG3 H 1 1.36 0.05 . 2 . . . . . . . . 4985 1 408 . 1 1 38 38 LYS N N 15 112.2 0.2 . 1 . . . . . . . . 4985 1 409 . 1 1 39 39 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 4985 1 410 . 1 1 39 39 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 4985 1 411 . 1 1 39 39 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 4985 1 412 . 1 1 39 39 LEU CD1 C 13 26.1 0.2 . 2 . . . . . . . . 4985 1 413 . 1 1 39 39 LEU CD2 C 13 23.2 0.2 . 2 . . . . . . . . 4985 1 414 . 1 1 39 39 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4985 1 415 . 1 1 39 39 LEU H H 1 7.62 0.02 . 1 . . . . . . . . 4985 1 416 . 1 1 39 39 LEU HA H 1 4.55 0.05 . 1 . . . . . . . . 4985 1 417 . 1 1 39 39 LEU HB2 H 1 1.25 0.05 . 2 . . . . . . . . 4985 1 418 . 1 1 39 39 LEU HB3 H 1 1.41 0.05 . 2 . . . . . . . . 4985 1 419 . 1 1 39 39 LEU HD11 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 420 . 1 1 39 39 LEU HD12 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 421 . 1 1 39 39 LEU HD13 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 422 . 1 1 39 39 LEU HD21 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 423 . 1 1 39 39 LEU HD22 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 424 . 1 1 39 39 LEU HD23 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 425 . 1 1 39 39 LEU HG H 1 1.56 0.05 . 1 . . . . . . . . 4985 1 426 . 1 1 39 39 LEU N N 15 118.4 0.2 . 1 . . . . . . . . 4985 1 427 . 1 1 40 40 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 4985 1 428 . 1 1 40 40 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4985 1 429 . 1 1 40 40 ASN CB C 13 38.6 0.2 . 1 . . . . . . . . 4985 1 430 . 1 1 40 40 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 4985 1 431 . 1 1 40 40 ASN HA H 1 4.72 0.05 . 1 . . . . . . . . 4985 1 432 . 1 1 40 40 ASN HB2 H 1 2.71 0.05 . 2 . . . . . . . . 4985 1 433 . 1 1 40 40 ASN HB3 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 434 . 1 1 40 40 ASN HD21 H 1 6.89 0.05 . 2 . . . . . . . . 4985 1 435 . 1 1 40 40 ASN HD22 H 1 7.46 0.05 . 2 . . . . . . . . 4985 1 436 . 1 1 40 40 ASN N N 15 119.1 0.2 . 1 . . . . . . . . 4985 1 437 . 1 1 40 40 ASN ND2 N 15 112.0 0.2 . 1 . . . . . . . . 4985 1 438 . 1 1 41 41 VAL C C 13 172.6 0.2 . 1 . . . . . . . . 4985 1 439 . 1 1 41 41 VAL CA C 13 58.6 0.2 . 1 . . . . . . . . 4985 1 440 . 1 1 41 41 VAL CB C 13 34.9 0.2 . 1 . . . . . . . . 4985 1 441 . 1 1 41 41 VAL CG1 C 13 23.4 0.2 . 2 . . . . . . . . 4985 1 442 . 1 1 41 41 VAL CG2 C 13 19.8 0.2 . 2 . . . . . . . . 4985 1 443 . 1 1 41 41 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 4985 1 444 . 1 1 41 41 VAL HA H 1 5.27 0.05 . 1 . . . . . . . . 4985 1 445 . 1 1 41 41 VAL HB H 1 1.74 0.05 . 1 . . . . . . . . 4985 1 446 . 1 1 41 41 VAL HG11 H 1 0.78 0.05 . 1 . . . . . . . . 4985 1 447 . 1 1 41 41 VAL HG12 H 1 0.78 0.05 . 1 . . . . . . . . 4985 1 448 . 1 1 41 41 VAL HG13 H 1 0.78 0.05 . 1 . . . . . . . . 4985 1 449 . 1 1 41 41 VAL HG21 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 450 . 1 1 41 41 VAL HG22 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 451 . 1 1 41 41 VAL HG23 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 452 . 1 1 41 41 VAL N N 15 122.0 0.2 . 1 . . . . . . . . 4985 1 453 . 1 1 42 42 LYS C C 13 172.8 0.2 . 1 . . . . . . . . 4985 1 454 . 1 1 42 42 LYS CA C 13 54.9 0.2 . 1 . . . . . . . . 4985 1 455 . 1 1 42 42 LYS CB C 13 35.8 0.2 . 1 . . . . . . . . 4985 1 456 . 1 1 42 42 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4985 1 457 . 1 1 42 42 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4985 1 458 . 1 1 42 42 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4985 1 459 . 1 1 42 42 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4985 1 460 . 1 1 42 42 LYS HA H 1 4.61 0.05 . 1 . . . . . . . . 4985 1 461 . 1 1 42 42 LYS HB2 H 1 1.78 0.05 . 2 . . . . . . . . 4985 1 462 . 1 1 42 42 LYS HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4985 1 463 . 1 1 42 42 LYS HD2 H 1 1.64 0.05 . 2 . . . . . . . . 4985 1 464 . 1 1 42 42 LYS HD3 H 1 1.65 0.05 . 2 . . . . . . . . 4985 1 465 . 1 1 42 42 LYS HE2 H 1 2.97 0.05 . 2 . . . . . . . . 4985 1 466 . 1 1 42 42 LYS HE3 H 1 3.00 0.05 . 2 . . . . . . . . 4985 1 467 . 1 1 42 42 LYS HG2 H 1 1.36 0.05 . 2 . . . . . . . . 4985 1 468 . 1 1 42 42 LYS HG3 H 1 1.39 0.05 . 2 . . . . . . . . 4985 1 469 . 1 1 42 42 LYS N N 15 126.9 0.2 . 1 . . . . . . . . 4985 1 470 . 1 1 43 43 LEU C C 13 174.9 0.2 . 1 . . . . . . . . 4985 1 471 . 1 1 43 43 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 4985 1 472 . 1 1 43 43 LEU CB C 13 44.3 0.2 . 1 . . . . . . . . 4985 1 473 . 1 1 43 43 LEU CD1 C 13 27.2 0.2 . 2 . . . . . . . . 4985 1 474 . 1 1 43 43 LEU CD2 C 13 25.5 0.2 . 2 . . . . . . . . 4985 1 475 . 1 1 43 43 LEU CG C 13 28.1 0.2 . 1 . . . . . . . . 4985 1 476 . 1 1 43 43 LEU H H 1 8.71 0.02 . 1 . . . . . . . . 4985 1 477 . 1 1 43 43 LEU HA H 1 5.24 0.05 . 1 . . . . . . . . 4985 1 478 . 1 1 43 43 LEU HB2 H 1 0.95 0.05 . 2 . . . . . . . . 4985 1 479 . 1 1 43 43 LEU HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4985 1 480 . 1 1 43 43 LEU HD11 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 481 . 1 1 43 43 LEU HD12 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 482 . 1 1 43 43 LEU HD13 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 483 . 1 1 43 43 LEU HD21 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 484 . 1 1 43 43 LEU HD22 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 485 . 1 1 43 43 LEU HD23 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 486 . 1 1 43 43 LEU HG H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 487 . 1 1 43 43 LEU N N 15 126.3 0.2 . 1 . . . . . . . . 4985 1 488 . 1 1 44 44 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 4985 1 489 . 1 1 44 44 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 4985 1 490 . 1 1 44 44 VAL CB C 13 35.8 0.2 . 1 . . . . . . . . 4985 1 491 . 1 1 44 44 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 4985 1 492 . 1 1 44 44 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4985 1 493 . 1 1 44 44 VAL H H 1 9.59 0.02 . 1 . . . . . . . . 4985 1 494 . 1 1 44 44 VAL HA H 1 4.47 0.05 . 1 . . . . . . . . 4985 1 495 . 1 1 44 44 VAL HB H 1 1.91 0.05 . 1 . . . . . . . . 4985 1 496 . 1 1 44 44 VAL HG11 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 497 . 1 1 44 44 VAL HG12 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 498 . 1 1 44 44 VAL HG13 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 499 . 1 1 44 44 VAL HG21 H 1 0.95 0.05 . 1 . . . . . . . . 4985 1 500 . 1 1 44 44 VAL HG22 H 1 0.95 0.05 . 1 . . . . . . . . 4985 1 501 . 1 1 44 44 VAL HG23 H 1 0.95 0.05 . 1 . . . . . . . . 4985 1 502 . 1 1 44 44 VAL N N 15 129.2 0.2 . 1 . . . . . . . . 4985 1 503 . 1 1 45 45 ASN C C 13 178.0 0.2 . 1 . . . . . . . . 4985 1 504 . 1 1 45 45 ASN CA C 13 53.2 0.2 . 1 . . . . . . . . 4985 1 505 . 1 1 45 45 ASN CB C 13 37.8 0.2 . 1 . . . . . . . . 4985 1 506 . 1 1 45 45 ASN H H 1 8.88 0.02 . 1 . . . . . . . . 4985 1 507 . 1 1 45 45 ASN HA H 1 5.14 0.05 . 1 . . . . . . . . 4985 1 508 . 1 1 45 45 ASN HB2 H 1 2.70 0.05 . 2 . . . . . . . . 4985 1 509 . 1 1 45 45 ASN HB3 H 1 3.79 0.05 . 2 . . . . . . . . 4985 1 510 . 1 1 45 45 ASN HD21 H 1 6.89 0.05 . 2 . . . . . . . . 4985 1 511 . 1 1 45 45 ASN HD22 H 1 7.46 0.05 . 2 . . . . . . . . 4985 1 512 . 1 1 45 45 ASN N N 15 123.6 0.2 . 1 . . . . . . . . 4985 1 513 . 1 1 45 45 ASN ND2 N 15 112.0 0.2 . 1 . . . . . . . . 4985 1 514 . 1 1 46 46 ALA C C 13 179.2 0.2 . 1 . . . . . . . . 4985 1 515 . 1 1 46 46 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 4985 1 516 . 1 1 46 46 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4985 1 517 . 1 1 46 46 ALA H H 1 9.70 0.02 . 1 . . . . . . . . 4985 1 518 . 1 1 46 46 ALA HA H 1 3.85 0.05 . 1 . . . . . . . . 4985 1 519 . 1 1 46 46 ALA HB1 H 1 1.21 0.05 . 1 . . . . . . . . 4985 1 520 . 1 1 46 46 ALA HB2 H 1 1.21 0.05 . 1 . . . . . . . . 4985 1 521 . 1 1 46 46 ALA HB3 H 1 1.21 0.05 . 1 . . . . . . . . 4985 1 522 . 1 1 46 46 ALA N N 15 126.3 0.2 . 1 . . . . . . . . 4985 1 523 . 1 1 47 47 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 4985 1 524 . 1 1 47 47 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 4985 1 525 . 1 1 47 47 GLY H H 1 9.18 0.02 . 1 . . . . . . . . 4985 1 526 . 1 1 47 47 GLY HA2 H 1 4.08 0.05 . 2 . . . . . . . . 4985 1 527 . 1 1 47 47 GLY HA3 H 1 4.30 0.05 . 2 . . . . . . . . 4985 1 528 . 1 1 47 47 GLY N N 15 103.7 0.2 . 1 . . . . . . . . 4985 1 529 . 1 1 48 48 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 4985 1 530 . 1 1 48 48 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 4985 1 531 . 1 1 48 48 ASP CB C 13 43.0 0.2 . 1 . . . . . . . . 4985 1 532 . 1 1 48 48 ASP H H 1 7.75 0.02 . 1 . . . . . . . . 4985 1 533 . 1 1 48 48 ASP HA H 1 4.88 0.05 . 1 . . . . . . . . 4985 1 534 . 1 1 48 48 ASP HB2 H 1 2.65 0.05 . 2 . . . . . . . . 4985 1 535 . 1 1 48 48 ASP HB3 H 1 2.90 0.05 . 2 . . . . . . . . 4985 1 536 . 1 1 48 48 ASP N N 15 117.0 0.2 . 1 . . . . . . . . 4985 1 537 . 1 1 49 49 TYR C C 13 175.7 0.2 . 1 . . . . . . . . 4985 1 538 . 1 1 49 49 TYR CA C 13 58.7 0.2 . 1 . . . . . . . . 4985 1 539 . 1 1 49 49 TYR CB C 13 39.4 0.2 . 1 . . . . . . . . 4985 1 540 . 1 1 49 49 TYR H H 1 7.52 0.02 . 1 . . . . . . . . 4985 1 541 . 1 1 49 49 TYR HA H 1 4.23 0.05 . 1 . . . . . . . . 4985 1 542 . 1 1 49 49 TYR HB2 H 1 2.91 0.05 . 2 . . . . . . . . 4985 1 543 . 1 1 49 49 TYR HB3 H 1 3.03 0.05 . 2 . . . . . . . . 4985 1 544 . 1 1 49 49 TYR N N 15 122.2 0.2 . 1 . . . . . . . . 4985 1 545 . 1 1 50 50 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 4985 1 546 . 1 1 50 50 LYS CA C 13 54.6 0.2 . 1 . . . . . . . . 4985 1 547 . 1 1 50 50 LYS CB C 13 28.9 0.2 . 1 . . . . . . . . 4985 1 548 . 1 1 50 50 LYS CD C 13 24.2 0.2 . 1 . . . . . . . . 4985 1 549 . 1 1 50 50 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 4985 1 550 . 1 1 50 50 LYS CG C 13 24.2 0.2 . 1 . . . . . . . . 4985 1 551 . 1 1 50 50 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 4985 1 552 . 1 1 50 50 LYS HA H 1 3.96 0.05 . 1 . . . . . . . . 4985 1 553 . 1 1 50 50 LYS HB2 H 1 1.41 0.05 . 2 . . . . . . . . 4985 1 554 . 1 1 50 50 LYS HB3 H 1 1.47 0.05 . 2 . . . . . . . . 4985 1 555 . 1 1 50 50 LYS HD2 H 1 1.13 0.05 . 2 . . . . . . . . 4985 1 556 . 1 1 50 50 LYS HD3 H 1 1.29 0.05 . 2 . . . . . . . . 4985 1 557 . 1 1 50 50 LYS HE2 H 1 2.85 0.05 . 1 . . . . . . . . 4985 1 558 . 1 1 50 50 LYS HE3 H 1 2.85 0.05 . 1 . . . . . . . . 4985 1 559 . 1 1 50 50 LYS HG2 H 1 1.13 0.05 . 2 . . . . . . . . 4985 1 560 . 1 1 50 50 LYS HG3 H 1 1.29 0.05 . 2 . . . . . . . . 4985 1 561 . 1 1 50 50 LYS N N 15 130.1 0.2 . 1 . . . . . . . . 4985 1 562 . 1 1 51 51 PHE C C 13 176.0 0.2 . 1 . . . . . . . . 4985 1 563 . 1 1 51 51 PHE CA C 13 58.0 0.2 . 1 . . . . . . . . 4985 1 564 . 1 1 51 51 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 4985 1 565 . 1 1 51 51 PHE H H 1 6.64 0.02 . 1 . . . . . . . . 4985 1 566 . 1 1 51 51 PHE HA H 1 3.99 0.05 . 1 . . . . . . . . 4985 1 567 . 1 1 51 51 PHE HB2 H 1 2.74 0.05 . 2 . . . . . . . . 4985 1 568 . 1 1 51 51 PHE HB3 H 1 3.03 0.05 . 2 . . . . . . . . 4985 1 569 . 1 1 51 51 PHE N N 15 121.4 0.2 . 1 . . . . . . . . 4985 1 570 . 1 1 52 52 LYS C C 13 178.3 0.2 . 1 . . . . . . . . 4985 1 571 . 1 1 52 52 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 4985 1 572 . 1 1 52 52 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 4985 1 573 . 1 1 52 52 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 4985 1 574 . 1 1 52 52 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 4985 1 575 . 1 1 52 52 LYS CG C 13 25.9 0.2 . 1 . . . . . . . . 4985 1 576 . 1 1 52 52 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 4985 1 577 . 1 1 52 52 LYS HA H 1 3.90 0.05 . 1 . . . . . . . . 4985 1 578 . 1 1 52 52 LYS HB2 H 1 1.48 0.05 . 2 . . . . . . . . 4985 1 579 . 1 1 52 52 LYS HB3 H 1 1.68 0.05 . 2 . . . . . . . . 4985 1 580 . 1 1 52 52 LYS HD2 H 1 1.53 0.05 . 1 . . . . . . . . 4985 1 581 . 1 1 52 52 LYS HD3 H 1 1.53 0.05 . 1 . . . . . . . . 4985 1 582 . 1 1 52 52 LYS HE2 H 1 2.83 0.05 . 2 . . . . . . . . 4985 1 583 . 1 1 52 52 LYS HE3 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 584 . 1 1 52 52 LYS HG2 H 1 1.09 0.05 . 1 . . . . . . . . 4985 1 585 . 1 1 52 52 LYS HG3 H 1 1.09 0.05 . 1 . . . . . . . . 4985 1 586 . 1 1 52 52 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 4985 1 587 . 1 1 53 53 GLN C C 13 177.6 0.2 . 1 . . . . . . . . 4985 1 588 . 1 1 53 53 GLN CA C 13 55.5 0.2 . 1 . . . . . . . . 4985 1 589 . 1 1 53 53 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 4985 1 590 . 1 1 53 53 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 4985 1 591 . 1 1 53 53 GLN H H 1 7.60 0.02 . 1 . . . . . . . . 4985 1 592 . 1 1 53 53 GLN HA H 1 4.52 0.05 . 1 . . . . . . . . 4985 1 593 . 1 1 53 53 GLN HB2 H 1 1.91 0.05 . 2 . . . . . . . . 4985 1 594 . 1 1 53 53 GLN HB3 H 1 2.21 0.05 . 2 . . . . . . . . 4985 1 595 . 1 1 53 53 GLN HG2 H 1 2.21 0.05 . 1 . . . . . . . . 4985 1 596 . 1 1 53 53 GLN HG3 H 1 2.21 0.05 . 1 . . . . . . . . 4985 1 597 . 1 1 53 53 GLN HE21 H 1 6.70 0.05 . 2 . . . . . . . . 4985 1 598 . 1 1 53 53 GLN HE22 H 1 7.32 0.05 . 2 . . . . . . . . 4985 1 599 . 1 1 53 53 GLN N N 15 116.0 0.2 . 1 . . . . . . . . 4985 1 600 . 1 1 53 53 GLN NE2 N 15 111.4 0.2 . 1 . . . . . . . . 4985 1 601 . 1 1 54 54 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 602 . 1 1 54 54 ILE CA C 13 64.6 0.2 . 1 . . . . . . . . 4985 1 603 . 1 1 54 54 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 4985 1 604 . 1 1 54 54 ILE CD1 C 13 13.9 0.2 . 1 . . . . . . . . 4985 1 605 . 1 1 54 54 ILE CG1 C 13 28.3 0.2 . 1 . . . . . . . . 4985 1 606 . 1 1 54 54 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 4985 1 607 . 1 1 54 54 ILE H H 1 7.62 0.02 . 1 . . . . . . . . 4985 1 608 . 1 1 54 54 ILE HA H 1 4.46 0.05 . 1 . . . . . . . . 4985 1 609 . 1 1 54 54 ILE HB H 1 2.32 0.05 . 1 . . . . . . . . 4985 1 610 . 1 1 54 54 ILE HD11 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 611 . 1 1 54 54 ILE HD12 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 612 . 1 1 54 54 ILE HD13 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 613 . 1 1 54 54 ILE HG12 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 614 . 1 1 54 54 ILE HG13 H 1 1.95 0.05 . 2 . . . . . . . . 4985 1 615 . 1 1 54 54 ILE HG21 H 1 1.15 0.05 . 1 . . . . . . . . 4985 1 616 . 1 1 54 54 ILE HG22 H 1 1.15 0.05 . 1 . . . . . . . . 4985 1 617 . 1 1 54 54 ILE HG23 H 1 1.15 0.05 . 1 . . . . . . . . 4985 1 618 . 1 1 54 54 ILE N N 15 122.2 0.2 . 1 . . . . . . . . 4985 1 619 . 1 1 55 55 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 4985 1 620 . 1 1 55 55 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4985 1 621 . 1 1 55 55 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4985 1 622 . 1 1 55 55 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4985 1 623 . 1 1 55 55 ALA HA H 1 4.22 0.05 . 1 . . . . . . . . 4985 1 624 . 1 1 55 55 ALA HB1 H 1 1.47 0.05 . 1 . . . . . . . . 4985 1 625 . 1 1 55 55 ALA HB2 H 1 1.47 0.05 . 1 . . . . . . . . 4985 1 626 . 1 1 55 55 ALA HB3 H 1 1.47 0.05 . 1 . . . . . . . . 4985 1 627 . 1 1 55 55 ALA N N 15 119.6 0.2 . 1 . . . . . . . . 4985 1 628 . 1 1 56 56 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 629 . 1 1 56 56 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 4985 1 630 . 1 1 56 56 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4985 1 631 . 1 1 56 56 SER H H 1 8.11 0.02 . 1 . . . . . . . . 4985 1 632 . 1 1 56 56 SER HA H 1 4.43 0.05 . 1 . . . . . . . . 4985 1 633 . 1 1 56 56 SER HB2 H 1 4.00 0.05 . 1 . . . . . . . . 4985 1 634 . 1 1 56 56 SER HB3 H 1 4.00 0.05 . 1 . . . . . . . . 4985 1 635 . 1 1 56 56 SER N N 15 112.4 0.2 . 1 . . . . . . . . 4985 1 636 . 1 1 57 57 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 4985 1 637 . 1 1 57 57 GLU CA C 13 55.9 0.2 . 1 . . . . . . . . 4985 1 638 . 1 1 57 57 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 4985 1 639 . 1 1 57 57 GLU CG C 13 34.5 0.2 . 1 . . . . . . . . 4985 1 640 . 1 1 57 57 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 4985 1 641 . 1 1 57 57 GLU HA H 1 4.39 0.05 . 1 . . . . . . . . 4985 1 642 . 1 1 57 57 GLU HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4985 1 643 . 1 1 57 57 GLU HB3 H 1 2.29 0.05 . 2 . . . . . . . . 4985 1 644 . 1 1 57 57 GLU HG2 H 1 2.48 0.05 . 2 . . . . . . . . 4985 1 645 . 1 1 57 57 GLU HG3 H 1 2.66 0.05 . 2 . . . . . . . . 4985 1 646 . 1 1 57 57 GLU N N 15 120.9 0.2 . 1 . . . . . . . . 4985 1 647 . 1 1 58 58 LYS C C 13 178.2 0.2 . 1 . . . . . . . . 4985 1 648 . 1 1 58 58 LYS CA C 13 57.1 0.2 . 1 . . . . . . . . 4985 1 649 . 1 1 58 58 LYS CB C 13 34.3 0.2 . 1 . . . . . . . . 4985 1 650 . 1 1 58 58 LYS CD C 13 28.6 0.2 . 1 . . . . . . . . 4985 1 651 . 1 1 58 58 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 4985 1 652 . 1 1 58 58 LYS CG C 13 25.5 0.2 . 1 . . . . . . . . 4985 1 653 . 1 1 58 58 LYS H H 1 8.73 0.02 . 1 . . . . . . . . 4985 1 654 . 1 1 58 58 LYS HA H 1 5.07 0.05 . 1 . . . . . . . . 4985 1 655 . 1 1 58 58 LYS HB2 H 1 1.88 0.05 . 2 . . . . . . . . 4985 1 656 . 1 1 58 58 LYS HB3 H 1 2.00 0.05 . 2 . . . . . . . . 4985 1 657 . 1 1 58 58 LYS HD2 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 658 . 1 1 58 58 LYS HD3 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 659 . 1 1 58 58 LYS HE2 H 1 3.06 0.05 . 1 . . . . . . . . 4985 1 660 . 1 1 58 58 LYS HE3 H 1 3.06 0.05 . 1 . . . . . . . . 4985 1 661 . 1 1 58 58 LYS HG2 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 662 . 1 1 58 58 LYS HG3 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 663 . 1 1 58 58 LYS N N 15 123.6 0.2 . 1 . . . . . . . . 4985 1 664 . 1 1 59 59 LEU C C 13 173.1 0.2 . 1 . . . . . . . . 4985 1 665 . 1 1 59 59 LEU CA C 13 54.4 0.2 . 1 . . . . . . . . 4985 1 666 . 1 1 59 59 LEU CB C 13 45.6 0.2 . 1 . . . . . . . . 4985 1 667 . 1 1 59 59 LEU CD1 C 13 26.3 0.2 . 2 . . . . . . . . 4985 1 668 . 1 1 59 59 LEU CD2 C 13 24.4 0.2 . 2 . . . . . . . . 4985 1 669 . 1 1 59 59 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4985 1 670 . 1 1 59 59 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4985 1 671 . 1 1 59 59 LEU HA H 1 5.16 0.05 . 1 . . . . . . . . 4985 1 672 . 1 1 59 59 LEU HB2 H 1 1.10 0.05 . 2 . . . . . . . . 4985 1 673 . 1 1 59 59 LEU HB3 H 1 2.06 0.05 . 2 . . . . . . . . 4985 1 674 . 1 1 59 59 LEU HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 675 . 1 1 59 59 LEU HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 676 . 1 1 59 59 LEU HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 677 . 1 1 59 59 LEU HD21 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 678 . 1 1 59 59 LEU HD22 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 679 . 1 1 59 59 LEU HD23 H 1 0.92 0.05 . 1 . . . . . . . . 4985 1 680 . 1 1 59 59 LEU HG H 1 1.52 0.05 . 1 . . . . . . . . 4985 1 681 . 1 1 59 59 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 4985 1 682 . 1 1 60 60 LEU C C 13 173.6 0.2 . 1 . . . . . . . . 4985 1 683 . 1 1 60 60 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 4985 1 684 . 1 1 60 60 LEU CB C 13 47.1 0.2 . 1 . . . . . . . . 4985 1 685 . 1 1 60 60 LEU CD1 C 13 26.0 0.2 . 2 . . . . . . . . 4985 1 686 . 1 1 60 60 LEU CD2 C 13 23.2 0.2 . 2 . . . . . . . . 4985 1 687 . 1 1 60 60 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4985 1 688 . 1 1 60 60 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 4985 1 689 . 1 1 60 60 LEU HA H 1 5.25 0.05 . 1 . . . . . . . . 4985 1 690 . 1 1 60 60 LEU HB2 H 1 1.00 0.05 . 2 . . . . . . . . 4985 1 691 . 1 1 60 60 LEU HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4985 1 692 . 1 1 60 60 LEU HD11 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 693 . 1 1 60 60 LEU HD12 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 694 . 1 1 60 60 LEU HD13 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 695 . 1 1 60 60 LEU HD21 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 696 . 1 1 60 60 LEU HD22 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 697 . 1 1 60 60 LEU HD23 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 698 . 1 1 60 60 LEU HG H 1 1.25 0.05 . 1 . . . . . . . . 4985 1 699 . 1 1 60 60 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 4985 1 700 . 1 1 61 61 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 701 . 1 1 61 61 ILE CA C 13 57.4 0.2 . 1 . . . . . . . . 4985 1 702 . 1 1 61 61 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 4985 1 703 . 1 1 61 61 ILE CD1 C 13 11.5 0.2 . 1 . . . . . . . . 4985 1 704 . 1 1 61 61 ILE CG1 C 13 27.0 0.2 . 1 . . . . . . . . 4985 1 705 . 1 1 61 61 ILE CG2 C 13 18.4 0.2 . 1 . . . . . . . . 4985 1 706 . 1 1 61 61 ILE H H 1 9.18 0.02 . 1 . . . . . . . . 4985 1 707 . 1 1 61 61 ILE HA H 1 5.26 0.05 . 1 . . . . . . . . 4985 1 708 . 1 1 61 61 ILE HB H 1 1.89 0.05 . 1 . . . . . . . . 4985 1 709 . 1 1 61 61 ILE HD11 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 710 . 1 1 61 61 ILE HD12 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 711 . 1 1 61 61 ILE HD13 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 712 . 1 1 61 61 ILE HG12 H 1 1.12 0.05 . 2 . . . . . . . . 4985 1 713 . 1 1 61 61 ILE HG13 H 1 1.32 0.05 . 2 . . . . . . . . 4985 1 714 . 1 1 61 61 ILE HG21 H 1 1.04 0.05 . 1 . . . . . . . . 4985 1 715 . 1 1 61 61 ILE HG22 H 1 1.04 0.05 . 1 . . . . . . . . 4985 1 716 . 1 1 61 61 ILE HG23 H 1 1.04 0.05 . 1 . . . . . . . . 4985 1 717 . 1 1 61 61 ILE N N 15 126.3 0.2 . 1 . . . . . . . . 4985 1 718 . 1 1 62 62 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 4985 1 719 . 1 1 62 62 VAL CA C 13 61.2 0.2 . 1 . . . . . . . . 4985 1 720 . 1 1 62 62 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 4985 1 721 . 1 1 62 62 VAL CG1 C 13 19.8 0.2 . 1 . . . . . . . . 4985 1 722 . 1 1 62 62 VAL CG2 C 13 19.8 0.2 . 1 . . . . . . . . 4985 1 723 . 1 1 62 62 VAL H H 1 8.87 0.02 . 1 . . . . . . . . 4985 1 724 . 1 1 62 62 VAL HA H 1 4.64 0.05 . 1 . . . . . . . . 4985 1 725 . 1 1 62 62 VAL HB H 1 1.85 0.05 . 1 . . . . . . . . 4985 1 726 . 1 1 62 62 VAL HG11 H 1 0.54 0.05 . 1 . . . . . . . . 4985 1 727 . 1 1 62 62 VAL HG12 H 1 0.54 0.05 . 1 . . . . . . . . 4985 1 728 . 1 1 62 62 VAL HG13 H 1 0.54 0.05 . 1 . . . . . . . . 4985 1 729 . 1 1 62 62 VAL HG21 H 1 0.19 0.05 . 1 . . . . . . . . 4985 1 730 . 1 1 62 62 VAL HG22 H 1 0.19 0.05 . 1 . . . . . . . . 4985 1 731 . 1 1 62 62 VAL HG23 H 1 0.19 0.05 . 1 . . . . . . . . 4985 1 732 . 1 1 62 62 VAL N N 15 126.1 0.2 . 1 . . . . . . . . 4985 1 733 . 1 1 63 63 VAL C C 13 174.2 0.2 . 1 . . . . . . . . 4985 1 734 . 1 1 63 63 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 4985 1 735 . 1 1 63 63 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 4985 1 736 . 1 1 63 63 VAL CG1 C 13 22.1 0.2 . 2 . . . . . . . . 4985 1 737 . 1 1 63 63 VAL CG2 C 13 20.8 0.2 . 2 . . . . . . . . 4985 1 738 . 1 1 63 63 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 4985 1 739 . 1 1 63 63 VAL HA H 1 5.05 0.05 . 1 . . . . . . . . 4985 1 740 . 1 1 63 63 VAL HB H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 741 . 1 1 63 63 VAL HG11 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 742 . 1 1 63 63 VAL HG12 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 743 . 1 1 63 63 VAL HG13 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 744 . 1 1 63 63 VAL HG21 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 745 . 1 1 63 63 VAL HG22 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 746 . 1 1 63 63 VAL HG23 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 747 . 1 1 63 63 VAL N N 15 127.7 0.2 . 1 . . . . . . . . 4985 1 748 . 1 1 64 64 THR C C 13 172.8 0.2 . 1 . . . . . . . . 4985 1 749 . 1 1 64 64 THR CA C 13 57.6 0.2 . 1 . . . . . . . . 4985 1 750 . 1 1 64 64 THR CB C 13 70.8 0.2 . 1 . . . . . . . . 4985 1 751 . 1 1 64 64 THR CG2 C 13 19.8 0.2 . 1 . . . . . . . . 4985 1 752 . 1 1 64 64 THR H H 1 8.35 0.02 . 1 . . . . . . . . 4985 1 753 . 1 1 64 64 THR HA H 1 3.99 0.05 . 1 . . . . . . . . 4985 1 754 . 1 1 64 64 THR HB H 1 3.44 0.05 . 1 . . . . . . . . 4985 1 755 . 1 1 64 64 THR HG21 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 756 . 1 1 64 64 THR HG22 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 757 . 1 1 64 64 THR HG23 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 758 . 1 1 64 64 THR N N 15 117.2 0.2 . 1 . . . . . . . . 4985 1 759 . 1 1 65 65 SER C C 13 174.2 0.2 . 1 . . . . . . . . 4985 1 760 . 1 1 65 65 SER CA C 13 56.8 0.2 . 1 . . . . . . . . 4985 1 761 . 1 1 65 65 SER CB C 13 65.6 0.2 . 1 . . . . . . . . 4985 1 762 . 1 1 65 65 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4985 1 763 . 1 1 65 65 SER HA H 1 5.58 0.05 . 1 . . . . . . . . 4985 1 764 . 1 1 65 65 SER HB2 H 1 4.04 0.05 . 2 . . . . . . . . 4985 1 765 . 1 1 65 65 SER HB3 H 1 4.38 0.05 . 2 . . . . . . . . 4985 1 766 . 1 1 65 65 SER N N 15 124.2 0.2 . 1 . . . . . . . . 4985 1 767 . 1 1 66 66 THR C C 13 172.7 0.2 . 1 . . . . . . . . 4985 1 768 . 1 1 66 66 THR CA C 13 62.7 0.2 . 1 . . . . . . . . 4985 1 769 . 1 1 66 66 THR CB C 13 71.3 0.2 . 1 . . . . . . . . 4985 1 770 . 1 1 66 66 THR CG2 C 13 22.8 0.2 . 1 . . . . . . . . 4985 1 771 . 1 1 66 66 THR H H 1 6.43 0.02 . 1 . . . . . . . . 4985 1 772 . 1 1 66 66 THR HA H 1 4.31 0.05 . 1 . . . . . . . . 4985 1 773 . 1 1 66 66 THR HB H 1 3.50 0.05 . 1 . . . . . . . . 4985 1 774 . 1 1 66 66 THR HG21 H 1 1.29 0.05 . 1 . . . . . . . . 4985 1 775 . 1 1 66 66 THR HG22 H 1 1.29 0.05 . 1 . . . . . . . . 4985 1 776 . 1 1 66 66 THR HG23 H 1 1.29 0.05 . 1 . . . . . . . . 4985 1 777 . 1 1 66 66 THR N N 15 110.5 0.2 . 1 . . . . . . . . 4985 1 778 . 1 1 67 67 GLN C C 13 172.5 0.2 . 1 . . . . . . . . 4985 1 779 . 1 1 67 67 GLN CA C 13 52.7 0.2 . 1 . . . . . . . . 4985 1 780 . 1 1 67 67 GLN CB C 13 28.8 0.2 . 1 . . . . . . . . 4985 1 781 . 1 1 67 67 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 4985 1 782 . 1 1 67 67 GLN H H 1 8.94 0.02 . 1 . . . . . . . . 4985 1 783 . 1 1 67 67 GLN HA H 1 2.82 0.05 . 1 . . . . . . . . 4985 1 784 . 1 1 67 67 GLN HB2 H 1 1.91 0.05 . 1 . . . . . . . . 4985 1 785 . 1 1 67 67 GLN HB3 H 1 1.91 0.05 . 1 . . . . . . . . 4985 1 786 . 1 1 67 67 GLN HG2 H 1 1.45 0.05 . 2 . . . . . . . . 4985 1 787 . 1 1 67 67 GLN HG3 H 1 1.98 0.05 . 2 . . . . . . . . 4985 1 788 . 1 1 67 67 GLN HE21 H 1 6.54 0.05 . 2 . . . . . . . . 4985 1 789 . 1 1 67 67 GLN HE22 H 1 8.34 0.05 . 2 . . . . . . . . 4985 1 790 . 1 1 67 67 GLN N N 15 127.3 0.2 . 1 . . . . . . . . 4985 1 791 . 1 1 67 67 GLN NE2 N 15 114.4 0.2 . 1 . . . . . . . . 4985 1 792 . 1 1 68 68 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 4985 1 793 . 1 1 68 68 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 4985 1 794 . 1 1 68 68 GLY H H 1 7.60 0.02 . 1 . . . . . . . . 4985 1 795 . 1 1 68 68 GLY HA2 H 1 3.86 0.05 . 2 . . . . . . . . 4985 1 796 . 1 1 68 68 GLY HA3 H 1 4.51 0.05 . 2 . . . . . . . . 4985 1 797 . 1 1 68 68 GLY N N 15 102.7 0.2 . 1 . . . . . . . . 4985 1 798 . 1 1 69 69 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 4985 1 799 . 1 1 69 69 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4985 1 800 . 1 1 69 69 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 4985 1 801 . 1 1 69 69 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 4985 1 802 . 1 1 69 69 GLU H H 1 9.44 0.02 . 1 . . . . . . . . 4985 1 803 . 1 1 69 69 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 804 . 1 1 69 69 GLU HB2 H 1 2.18 0.05 . 2 . . . . . . . . 4985 1 805 . 1 1 69 69 GLU HB3 H 1 2.23 0.05 . 2 . . . . . . . . 4985 1 806 . 1 1 69 69 GLU HG2 H 1 2.23 0.05 . 2 . . . . . . . . 4985 1 807 . 1 1 69 69 GLU HG3 H 1 2.32 0.05 . 2 . . . . . . . . 4985 1 808 . 1 1 69 69 GLU N N 15 118.5 0.2 . 1 . . . . . . . . 4985 1 809 . 1 1 70 70 GLY C C 13 173.2 0.2 . 1 . . . . . . . . 4985 1 810 . 1 1 70 70 GLY CA C 13 46.4 0.2 . 1 . . . . . . . . 4985 1 811 . 1 1 70 70 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 4985 1 812 . 1 1 70 70 GLY HA2 H 1 3.44 0.05 . 2 . . . . . . . . 4985 1 813 . 1 1 70 70 GLY HA3 H 1 3.75 0.05 . 2 . . . . . . . . 4985 1 814 . 1 1 70 70 GLY N N 15 105.3 0.2 . 1 . . . . . . . . 4985 1 815 . 1 1 71 71 GLU C C 13 172.4 0.2 . 1 . . . . . . . . 4985 1 816 . 1 1 71 71 GLU CA C 13 54.0 0.2 . 1 . . . . . . . . 4985 1 817 . 1 1 71 71 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 4985 1 818 . 1 1 71 71 GLU CG C 13 41.5 0.2 . 1 . . . . . . . . 4985 1 819 . 1 1 71 71 GLU H H 1 6.90 0.02 . 1 . . . . . . . . 4985 1 820 . 1 1 71 71 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 4985 1 821 . 1 1 71 71 GLU HB2 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 822 . 1 1 71 71 GLU HB3 H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 823 . 1 1 71 71 GLU HG2 H 1 2.62 0.05 . 2 . . . . . . . . 4985 1 824 . 1 1 71 71 GLU HG3 H 1 2.67 0.05 . 2 . . . . . . . . 4985 1 825 . 1 1 71 71 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4985 1 826 . 1 1 73 73 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 4985 1 827 . 1 1 73 73 PRO CA C 13 62.5 0.2 . 1 . . . . . . . . 4985 1 828 . 1 1 73 73 PRO CB C 13 32.7 0.2 . 1 . . . . . . . . 4985 1 829 . 1 1 73 73 PRO CD C 13 49.9 0.2 . 1 . . . . . . . . 4985 1 830 . 1 1 73 73 PRO CG C 13 28.3 0.2 . 1 . . . . . . . . 4985 1 831 . 1 1 73 73 PRO HA H 1 4.02 0.05 . 1 . . . . . . . . 4985 1 832 . 1 1 73 73 PRO HB2 H 1 1.39 0.05 . 2 . . . . . . . . 4985 1 833 . 1 1 73 73 PRO HB3 H 1 2.03 0.05 . 2 . . . . . . . . 4985 1 834 . 1 1 73 73 PRO HD2 H 1 3.00 0.05 . 2 . . . . . . . . 4985 1 835 . 1 1 73 73 PRO HD3 H 1 3.85 0.05 . 2 . . . . . . . . 4985 1 836 . 1 1 73 73 PRO HG2 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 837 . 1 1 73 73 PRO HG3 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 838 . 1 1 74 74 GLU C C 13 179.4 0.2 . 1 . . . . . . . . 4985 1 839 . 1 1 74 74 GLU CA C 13 60.1 0.2 . 1 . . . . . . . . 4985 1 840 . 1 1 74 74 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 841 . 1 1 74 74 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 4985 1 842 . 1 1 74 74 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4985 1 843 . 1 1 74 74 GLU HA H 1 3.88 0.05 . 1 . . . . . . . . 4985 1 844 . 1 1 74 74 GLU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4985 1 845 . 1 1 74 74 GLU HB3 H 1 2.11 0.05 . 2 . . . . . . . . 4985 1 846 . 1 1 74 74 GLU HG2 H 1 2.23 0.05 . 2 . . . . . . . . 4985 1 847 . 1 1 74 74 GLU HG3 H 1 2.35 0.05 . 2 . . . . . . . . 4985 1 848 . 1 1 74 74 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 4985 1 849 . 1 1 75 75 GLU C C 13 175.3 0.2 . 1 . . . . . . . . 4985 1 850 . 1 1 75 75 GLU CA C 13 57.8 0.2 . 1 . . . . . . . . 4985 1 851 . 1 1 75 75 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4985 1 852 . 1 1 75 75 GLU CG C 13 35.3 0.2 . 1 . . . . . . . . 4985 1 853 . 1 1 75 75 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 4985 1 854 . 1 1 75 75 GLU HA H 1 4.43 0.05 . 1 . . . . . . . . 4985 1 855 . 1 1 75 75 GLU HB2 H 1 2.01 0.05 . 1 . . . . . . . . 4985 1 856 . 1 1 75 75 GLU HB3 H 1 2.01 0.05 . 1 . . . . . . . . 4985 1 857 . 1 1 75 75 GLU HG2 H 1 2.38 0.05 . 1 . . . . . . . . 4985 1 858 . 1 1 75 75 GLU HG3 H 1 2.38 0.05 . 1 . . . . . . . . 4985 1 859 . 1 1 75 75 GLU N N 15 114.5 0.2 . 1 . . . . . . . . 4985 1 860 . 1 1 76 76 ALA C C 13 176.1 0.2 . 1 . . . . . . . . 4985 1 861 . 1 1 76 76 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 4985 1 862 . 1 1 76 76 ALA CB C 13 21.6 0.2 . 1 . . . . . . . . 4985 1 863 . 1 1 76 76 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 4985 1 864 . 1 1 76 76 ALA HA H 1 4.71 0.05 . 1 . . . . . . . . 4985 1 865 . 1 1 76 76 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 866 . 1 1 76 76 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 867 . 1 1 76 76 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4985 1 868 . 1 1 76 76 ALA N N 15 120.4 0.2 . 1 . . . . . . . . 4985 1 869 . 1 1 77 77 VAL C C 13 177.4 0.2 . 1 . . . . . . . . 4985 1 870 . 1 1 77 77 VAL CA C 13 67.7 0.2 . 1 . . . . . . . . 4985 1 871 . 1 1 77 77 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4985 1 872 . 1 1 77 77 VAL CG1 C 13 24.2 0.2 . 2 . . . . . . . . 4985 1 873 . 1 1 77 77 VAL CG2 C 13 20.8 0.2 . 2 . . . . . . . . 4985 1 874 . 1 1 77 77 VAL H H 1 7.42 0.02 . 1 . . . . . . . . 4985 1 875 . 1 1 77 77 VAL HA H 1 3.40 0.05 . 1 . . . . . . . . 4985 1 876 . 1 1 77 77 VAL HB H 1 2.06 0.05 . 1 . . . . . . . . 4985 1 877 . 1 1 77 77 VAL HG11 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 878 . 1 1 77 77 VAL HG12 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 879 . 1 1 77 77 VAL HG13 H 1 0.97 0.05 . 1 . . . . . . . . 4985 1 880 . 1 1 77 77 VAL HG21 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 881 . 1 1 77 77 VAL HG22 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 882 . 1 1 77 77 VAL HG23 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 883 . 1 1 77 77 VAL N N 15 122.5 0.2 . 1 . . . . . . . . 4985 1 884 . 1 1 78 78 ALA C C 13 180.2 0.2 . 1 . . . . . . . . 4985 1 885 . 1 1 78 78 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4985 1 886 . 1 1 78 78 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4985 1 887 . 1 1 78 78 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 4985 1 888 . 1 1 78 78 ALA HA H 1 4.05 0.05 . 1 . . . . . . . . 4985 1 889 . 1 1 78 78 ALA HB1 H 1 1.55 0.05 . 1 . . . . . . . . 4985 1 890 . 1 1 78 78 ALA HB2 H 1 1.55 0.05 . 1 . . . . . . . . 4985 1 891 . 1 1 78 78 ALA HB3 H 1 1.55 0.05 . 1 . . . . . . . . 4985 1 892 . 1 1 78 78 ALA N N 15 122.0 0.2 . 1 . . . . . . . . 4985 1 893 . 1 1 79 79 LEU C C 13 177.0 0.2 . 1 . . . . . . . . 4985 1 894 . 1 1 79 79 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 4985 1 895 . 1 1 79 79 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4985 1 896 . 1 1 79 79 LEU CD1 C 13 26.0 0.2 . 2 . . . . . . . . 4985 1 897 . 1 1 79 79 LEU CD2 C 13 23.4 0.2 . 2 . . . . . . . . 4985 1 898 . 1 1 79 79 LEU CG C 13 27.7 0.2 . 1 . . . . . . . . 4985 1 899 . 1 1 79 79 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 4985 1 900 . 1 1 79 79 LEU HA H 1 3.46 0.05 . 1 . . . . . . . . 4985 1 901 . 1 1 79 79 LEU HB2 H 1 1.96 0.05 . 1 . . . . . . . . 4985 1 902 . 1 1 79 79 LEU HB3 H 1 1.96 0.05 . 1 . . . . . . . . 4985 1 903 . 1 1 79 79 LEU HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 904 . 1 1 79 79 LEU HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 905 . 1 1 79 79 LEU HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 906 . 1 1 79 79 LEU HD21 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 907 . 1 1 79 79 LEU HD22 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 908 . 1 1 79 79 LEU HD23 H 1 0.80 0.05 . 1 . . . . . . . . 4985 1 909 . 1 1 79 79 LEU HG H 1 1.72 0.05 . 1 . . . . . . . . 4985 1 910 . 1 1 79 79 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 4985 1 911 . 1 1 80 80 HIS C C 13 176.5 0.2 . 1 . . . . . . . . 4985 1 912 . 1 1 80 80 HIS CA C 13 61.8 0.2 . 1 . . . . . . . . 4985 1 913 . 1 1 80 80 HIS CB C 13 32.2 0.2 . 1 . . . . . . . . 4985 1 914 . 1 1 80 80 HIS H H 1 8.46 0.02 . 1 . . . . . . . . 4985 1 915 . 1 1 80 80 HIS HA H 1 3.79 0.05 . 1 . . . . . . . . 4985 1 916 . 1 1 80 80 HIS HB2 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 917 . 1 1 80 80 HIS HB3 H 1 3.23 0.05 . 2 . . . . . . . . 4985 1 918 . 1 1 80 80 HIS N N 15 119.7 0.2 . 1 . . . . . . . . 4985 1 919 . 1 1 81 81 LYS C C 13 179.8 0.2 . 1 . . . . . . . . 4985 1 920 . 1 1 81 81 LYS CA C 13 59.7 0.2 . 1 . . . . . . . . 4985 1 921 . 1 1 81 81 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4985 1 922 . 1 1 81 81 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4985 1 923 . 1 1 81 81 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4985 1 924 . 1 1 81 81 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 4985 1 925 . 1 1 81 81 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4985 1 926 . 1 1 81 81 LYS HA H 1 3.96 0.05 . 1 . . . . . . . . 4985 1 927 . 1 1 81 81 LYS HB2 H 1 1.79 0.05 . 2 . . . . . . . . 4985 1 928 . 1 1 81 81 LYS HB3 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 929 . 1 1 81 81 LYS HD2 H 1 1.64 0.05 . 1 . . . . . . . . 4985 1 930 . 1 1 81 81 LYS HD3 H 1 1.64 0.05 . 1 . . . . . . . . 4985 1 931 . 1 1 81 81 LYS HE2 H 1 2.91 0.05 . 1 . . . . . . . . 4985 1 932 . 1 1 81 81 LYS HE3 H 1 2.91 0.05 . 1 . . . . . . . . 4985 1 933 . 1 1 81 81 LYS HG2 H 1 1.46 0.05 . 2 . . . . . . . . 4985 1 934 . 1 1 81 81 LYS HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4985 1 935 . 1 1 81 81 LYS N N 15 116.8 0.2 . 1 . . . . . . . . 4985 1 936 . 1 1 82 82 PHE C C 13 179.3 0.2 . 1 . . . . . . . . 4985 1 937 . 1 1 82 82 PHE CA C 13 60.5 0.2 . 1 . . . . . . . . 4985 1 938 . 1 1 82 82 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 4985 1 939 . 1 1 82 82 PHE H H 1 7.95 0.02 . 1 . . . . . . . . 4985 1 940 . 1 1 82 82 PHE HA H 1 4.17 0.05 . 1 . . . . . . . . 4985 1 941 . 1 1 82 82 PHE HB2 H 1 2.78 0.05 . 1 . . . . . . . . 4985 1 942 . 1 1 82 82 PHE HB3 H 1 2.78 0.05 . 1 . . . . . . . . 4985 1 943 . 1 1 82 82 PHE N N 15 118.4 0.2 . 1 . . . . . . . . 4985 1 944 . 1 1 83 83 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4985 1 945 . 1 1 83 83 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 4985 1 946 . 1 1 83 83 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4985 1 947 . 1 1 83 83 LEU CD1 C 13 26.0 0.2 . 2 . . . . . . . . 4985 1 948 . 1 1 83 83 LEU CD2 C 13 22.1 0.2 . 2 . . . . . . . . 4985 1 949 . 1 1 83 83 LEU CG C 13 26.0 0.2 . 1 . . . . . . . . 4985 1 950 . 1 1 83 83 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 4985 1 951 . 1 1 83 83 LEU HA H 1 3.62 0.05 . 1 . . . . . . . . 4985 1 952 . 1 1 83 83 LEU HB2 H 1 1.08 0.05 . 2 . . . . . . . . 4985 1 953 . 1 1 83 83 LEU HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4985 1 954 . 1 1 83 83 LEU HD11 H 1 0.75 0.05 . 1 . . . . . . . . 4985 1 955 . 1 1 83 83 LEU HD12 H 1 0.75 0.05 . 1 . . . . . . . . 4985 1 956 . 1 1 83 83 LEU HD13 H 1 0.75 0.05 . 1 . . . . . . . . 4985 1 957 . 1 1 83 83 LEU HD21 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 958 . 1 1 83 83 LEU HD22 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 959 . 1 1 83 83 LEU HD23 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 960 . 1 1 83 83 LEU HG H 1 0.75 0.05 . 1 . . . . . . . . 4985 1 961 . 1 1 83 83 LEU N N 15 119.1 0.2 . 1 . . . . . . . . 4985 1 962 . 1 1 84 84 PHE C C 13 174.9 0.2 . 1 . . . . . . . . 4985 1 963 . 1 1 84 84 PHE CA C 13 58.7 0.2 . 1 . . . . . . . . 4985 1 964 . 1 1 84 84 PHE CB C 13 38.1 0.2 . 1 . . . . . . . . 4985 1 965 . 1 1 84 84 PHE H H 1 7.71 0.02 . 1 . . . . . . . . 4985 1 966 . 1 1 84 84 PHE HA H 1 3.90 0.05 . 1 . . . . . . . . 4985 1 967 . 1 1 84 84 PHE HB2 H 1 2.74 0.05 . 2 . . . . . . . . 4985 1 968 . 1 1 84 84 PHE HB3 H 1 3.03 0.05 . 2 . . . . . . . . 4985 1 969 . 1 1 84 84 PHE N N 15 114.5 0.2 . 1 . . . . . . . . 4985 1 970 . 1 1 85 85 SER C C 13 175.4 0.2 . 1 . . . . . . . . 4985 1 971 . 1 1 85 85 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4985 1 972 . 1 1 85 85 SER CB C 13 65.8 0.2 . 1 . . . . . . . . 4985 1 973 . 1 1 85 85 SER H H 1 7.47 0.02 . 1 . . . . . . . . 4985 1 974 . 1 1 85 85 SER HA H 1 4.66 0.05 . 1 . . . . . . . . 4985 1 975 . 1 1 85 85 SER HB2 H 1 4.11 0.05 . 2 . . . . . . . . 4985 1 976 . 1 1 85 85 SER HB3 H 1 4.31 0.05 . 2 . . . . . . . . 4985 1 977 . 1 1 85 85 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4985 1 978 . 1 1 86 86 LYS C C 13 177.0 0.2 . 1 . . . . . . . . 4985 1 979 . 1 1 86 86 LYS CA C 13 57.6 0.2 . 1 . . . . . . . . 4985 1 980 . 1 1 86 86 LYS CB C 13 31.9 0.2 . 1 . . . . . . . . 4985 1 981 . 1 1 86 86 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4985 1 982 . 1 1 86 86 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4985 1 983 . 1 1 86 86 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4985 1 984 . 1 1 86 86 LYS HA H 1 4.18 0.05 . 1 . . . . . . . . 4985 1 985 . 1 1 86 86 LYS HB2 H 1 1.80 0.05 . 2 . . . . . . . . 4985 1 986 . 1 1 86 86 LYS HB3 H 1 1.92 0.05 . 2 . . . . . . . . 4985 1 987 . 1 1 86 86 LYS HD2 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 988 . 1 1 86 86 LYS HD3 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 989 . 1 1 86 86 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 4985 1 990 . 1 1 86 86 LYS HE3 H 1 2.97 0.05 . 1 . . . . . . . . 4985 1 991 . 1 1 86 86 LYS HG2 H 1 1.50 0.05 . 1 . . . . . . . . 4985 1 992 . 1 1 86 86 LYS HG3 H 1 1.50 0.05 . 1 . . . . . . . . 4985 1 993 . 1 1 87 87 LYS C C 13 175.1 0.2 . 1 . . . . . . . . 4985 1 994 . 1 1 87 87 LYS CA C 13 55.2 0.2 . 1 . . . . . . . . 4985 1 995 . 1 1 87 87 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4985 1 996 . 1 1 87 87 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 4985 1 997 . 1 1 87 87 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4985 1 998 . 1 1 87 87 LYS CG C 13 25.2 0.2 . 1 . . . . . . . . 4985 1 999 . 1 1 87 87 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 4985 1 1000 . 1 1 87 87 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . 4985 1 1001 . 1 1 87 87 LYS HB2 H 1 1.54 0.05 . 2 . . . . . . . . 4985 1 1002 . 1 1 87 87 LYS HB3 H 1 2.03 0.05 . 2 . . . . . . . . 4985 1 1003 . 1 1 87 87 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . 4985 1 1004 . 1 1 87 87 LYS HD3 H 1 1.70 0.05 . 1 . . . . . . . . 4985 1 1005 . 1 1 87 87 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 4985 1 1006 . 1 1 87 87 LYS HE3 H 1 2.97 0.05 . 1 . . . . . . . . 4985 1 1007 . 1 1 87 87 LYS HG2 H 1 1.36 0.05 . 2 . . . . . . . . 4985 1 1008 . 1 1 87 87 LYS HG3 H 1 1.48 0.05 . 2 . . . . . . . . 4985 1 1009 . 1 1 87 87 LYS N N 15 116.6 0.2 . 1 . . . . . . . . 4985 1 1010 . 1 1 88 88 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 4985 1 1011 . 1 1 88 88 ALA CA C 13 50.3 0.2 . 1 . . . . . . . . 4985 1 1012 . 1 1 88 88 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4985 1 1013 . 1 1 88 88 ALA H H 1 6.60 0.02 . 1 . . . . . . . . 4985 1 1014 . 1 1 88 88 ALA HA H 1 3.47 0.05 . 1 . . . . . . . . 4985 1 1015 . 1 1 88 88 ALA HB1 H 1 1.09 0.05 . 1 . . . . . . . . 4985 1 1016 . 1 1 88 88 ALA HB2 H 1 1.09 0.05 . 1 . . . . . . . . 4985 1 1017 . 1 1 88 88 ALA HB3 H 1 1.09 0.05 . 1 . . . . . . . . 4985 1 1018 . 1 1 88 88 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4985 1 1019 . 1 1 89 89 PRO C C 13 173.9 0.2 . 1 . . . . . . . . 4985 1 1020 . 1 1 89 89 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . 4985 1 1021 . 1 1 89 89 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4985 1 1022 . 1 1 89 89 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 4985 1 1023 . 1 1 89 89 PRO CG C 13 26.7 0.2 . 1 . . . . . . . . 4985 1 1024 . 1 1 89 89 PRO HA H 1 4.47 0.05 . 1 . . . . . . . . 4985 1 1025 . 1 1 89 89 PRO HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4985 1 1026 . 1 1 89 89 PRO HB3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1027 . 1 1 89 89 PRO HD2 H 1 3.63 0.05 . 2 . . . . . . . . 4985 1 1028 . 1 1 89 89 PRO HD3 H 1 3.77 0.05 . 2 . . . . . . . . 4985 1 1029 . 1 1 89 89 PRO HG2 H 1 1.91 0.05 . 2 . . . . . . . . 4985 1 1030 . 1 1 89 89 PRO HG3 H 1 2.20 0.05 . 2 . . . . . . . . 4985 1 1031 . 1 1 90 90 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 4985 1 1032 . 1 1 90 90 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4985 1 1033 . 1 1 90 90 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 4985 1 1034 . 1 1 90 90 LYS CD C 13 28.8 0.2 . 1 . . . . . . . . 4985 1 1035 . 1 1 90 90 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 4985 1 1036 . 1 1 90 90 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4985 1 1037 . 1 1 90 90 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 4985 1 1038 . 1 1 90 90 LYS HA H 1 4.46 0.05 . 1 . . . . . . . . 4985 1 1039 . 1 1 90 90 LYS HB2 H 1 1.74 0.05 . 2 . . . . . . . . 4985 1 1040 . 1 1 90 90 LYS HB3 H 1 1.79 0.05 . 2 . . . . . . . . 4985 1 1041 . 1 1 90 90 LYS HD2 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1042 . 1 1 90 90 LYS HD3 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1043 . 1 1 90 90 LYS HE2 H 1 2.98 0.05 . 1 . . . . . . . . 4985 1 1044 . 1 1 90 90 LYS HE3 H 1 2.98 0.05 . 1 . . . . . . . . 4985 1 1045 . 1 1 90 90 LYS HG2 H 1 1.45 0.05 . 2 . . . . . . . . 4985 1 1046 . 1 1 90 90 LYS HG3 H 1 1.53 0.05 . 2 . . . . . . . . 4985 1 1047 . 1 1 90 90 LYS N N 15 114.4 0.2 . 1 . . . . . . . . 4985 1 1048 . 1 1 91 91 LEU C C 13 176.6 0.2 . 1 . . . . . . . . 4985 1 1049 . 1 1 91 91 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 4985 1 1050 . 1 1 91 91 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 4985 1 1051 . 1 1 91 91 LEU CD1 C 13 26.3 0.2 . 2 . . . . . . . . 4985 1 1052 . 1 1 91 91 LEU CD2 C 13 23.3 0.2 . 2 . . . . . . . . 4985 1 1053 . 1 1 91 91 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 4985 1 1054 . 1 1 91 91 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4985 1 1055 . 1 1 91 91 LEU HA H 1 4.84 0.05 . 1 . . . . . . . . 4985 1 1056 . 1 1 91 91 LEU HB2 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 1057 . 1 1 91 91 LEU HB3 H 1 1.33 0.05 . 2 . . . . . . . . 4985 1 1058 . 1 1 91 91 LEU HD11 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1059 . 1 1 91 91 LEU HD12 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1060 . 1 1 91 91 LEU HD13 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1061 . 1 1 91 91 LEU HD21 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 1062 . 1 1 91 91 LEU HD22 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 1063 . 1 1 91 91 LEU HD23 H 1 0.69 0.05 . 1 . . . . . . . . 4985 1 1064 . 1 1 91 91 LEU HG H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1065 . 1 1 91 91 LEU N N 15 124.5 0.2 . 1 . . . . . . . . 4985 1 1066 . 1 1 92 92 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 4985 1 1067 . 1 1 92 92 GLU CA C 13 57.6 0.2 . 1 . . . . . . . . 4985 1 1068 . 1 1 92 92 GLU CB C 13 31.1 0.2 . 1 . . . . . . . . 4985 1 1069 . 1 1 92 92 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 4985 1 1070 . 1 1 92 92 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 4985 1 1071 . 1 1 92 92 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4985 1 1072 . 1 1 92 92 GLU HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 1073 . 1 1 92 92 GLU HB3 H 1 2.06 0.05 . 2 . . . . . . . . 4985 1 1074 . 1 1 92 92 GLU HG2 H 1 2.22 0.05 . 1 . . . . . . . . 4985 1 1075 . 1 1 92 92 GLU HG3 H 1 2.22 0.05 . 1 . . . . . . . . 4985 1 1076 . 1 1 92 92 GLU N N 15 118.4 0.2 . 1 . . . . . . . . 4985 1 1077 . 1 1 93 93 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4985 1 1078 . 1 1 93 93 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 4985 1 1079 . 1 1 93 93 ASN CB C 13 39.6 0.2 . 1 . . . . . . . . 4985 1 1080 . 1 1 93 93 ASN H H 1 8.76 0.02 . 1 . . . . . . . . 4985 1 1081 . 1 1 93 93 ASN HA H 1 4.96 0.05 . 1 . . . . . . . . 4985 1 1082 . 1 1 93 93 ASN HB2 H 1 2.74 0.05 . 2 . . . . . . . . 4985 1 1083 . 1 1 93 93 ASN HB3 H 1 2.94 0.05 . 2 . . . . . . . . 4985 1 1084 . 1 1 93 93 ASN HD21 H 1 6.89 0.05 . 2 . . . . . . . . 4985 1 1085 . 1 1 93 93 ASN HD22 H 1 7.58 0.05 . 2 . . . . . . . . 4985 1 1086 . 1 1 93 93 ASN N N 15 118.0 0.2 . 1 . . . . . . . . 4985 1 1087 . 1 1 93 93 ASN ND2 N 15 112.2 0.2 . 1 . . . . . . . . 4985 1 1088 . 1 1 94 94 THR C C 13 172.6 0.2 . 1 . . . . . . . . 4985 1 1089 . 1 1 94 94 THR CA C 13 62.7 0.2 . 1 . . . . . . . . 4985 1 1090 . 1 1 94 94 THR CB C 13 72.0 0.2 . 1 . . . . . . . . 4985 1 1091 . 1 1 94 94 THR CG2 C 13 22.3 0.2 . 1 . . . . . . . . 4985 1 1092 . 1 1 94 94 THR H H 1 7.96 0.02 . 1 . . . . . . . . 4985 1 1093 . 1 1 94 94 THR HA H 1 4.67 0.05 . 1 . . . . . . . . 4985 1 1094 . 1 1 94 94 THR HB H 1 3.75 0.05 . 1 . . . . . . . . 4985 1 1095 . 1 1 94 94 THR HG21 H 1 1.03 0.05 . 1 . . . . . . . . 4985 1 1096 . 1 1 94 94 THR HG22 H 1 1.03 0.05 . 1 . . . . . . . . 4985 1 1097 . 1 1 94 94 THR HG23 H 1 1.03 0.05 . 1 . . . . . . . . 4985 1 1098 . 1 1 94 94 THR N N 15 117.7 0.2 . 1 . . . . . . . . 4985 1 1099 . 1 1 95 95 ALA C C 13 176.2 0.2 . 1 . . . . . . . . 4985 1 1100 . 1 1 95 95 ALA CA C 13 49.7 0.2 . 1 . . . . . . . . 4985 1 1101 . 1 1 95 95 ALA CB C 13 20.6 0.2 . 1 . . . . . . . . 4985 1 1102 . 1 1 95 95 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 4985 1 1103 . 1 1 95 95 ALA HA H 1 5.86 0.05 . 1 . . . . . . . . 4985 1 1104 . 1 1 95 95 ALA HB1 H 1 1.37 0.05 . 1 . . . . . . . . 4985 1 1105 . 1 1 95 95 ALA HB2 H 1 1.37 0.05 . 1 . . . . . . . . 4985 1 1106 . 1 1 95 95 ALA HB3 H 1 1.37 0.05 . 1 . . . . . . . . 4985 1 1107 . 1 1 95 95 ALA N N 15 131.2 0.2 . 1 . . . . . . . . 4985 1 1108 . 1 1 96 96 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 4985 1 1109 . 1 1 96 96 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 4985 1 1110 . 1 1 96 96 PHE CB C 13 45.8 0.2 . 1 . . . . . . . . 4985 1 1111 . 1 1 96 96 PHE H H 1 8.83 0.02 . 1 . . . . . . . . 4985 1 1112 . 1 1 96 96 PHE HA H 1 6.66 0.05 . 1 . . . . . . . . 4985 1 1113 . 1 1 96 96 PHE HB2 H 1 2.50 0.05 . 2 . . . . . . . . 4985 1 1114 . 1 1 96 96 PHE HB3 H 1 3.11 0.05 . 2 . . . . . . . . 4985 1 1115 . 1 1 96 96 PHE N N 15 117.8 0.2 . 1 . . . . . . . . 4985 1 1116 . 1 1 97 97 ALA C C 13 175.8 0.2 . 1 . . . . . . . . 4985 1 1117 . 1 1 97 97 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 4985 1 1118 . 1 1 97 97 ALA CB C 13 23.1 0.2 . 1 . . . . . . . . 4985 1 1119 . 1 1 97 97 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 4985 1 1120 . 1 1 97 97 ALA HA H 1 4.95 0.05 . 1 . . . . . . . . 4985 1 1121 . 1 1 97 97 ALA HB1 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1122 . 1 1 97 97 ALA HB2 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1123 . 1 1 97 97 ALA HB3 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1124 . 1 1 97 97 ALA N N 15 119.9 0.2 . 1 . . . . . . . . 4985 1 1125 . 1 1 98 98 VAL C C 13 174.5 0.2 . 1 . . . . . . . . 4985 1 1126 . 1 1 98 98 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 4985 1 1127 . 1 1 98 98 VAL CB C 13 35.8 0.2 . 1 . . . . . . . . 4985 1 1128 . 1 1 98 98 VAL CG1 C 13 21.1 0.2 . 2 . . . . . . . . 4985 1 1129 . 1 1 98 98 VAL CG2 C 13 20.7 0.2 . 2 . . . . . . . . 4985 1 1130 . 1 1 98 98 VAL H H 1 9.18 0.02 . 1 . . . . . . . . 4985 1 1131 . 1 1 98 98 VAL HA H 1 5.40 0.05 . 1 . . . . . . . . 4985 1 1132 . 1 1 98 98 VAL HB H 1 1.91 0.05 . 1 . . . . . . . . 4985 1 1133 . 1 1 98 98 VAL HG11 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 1134 . 1 1 98 98 VAL HG12 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 1135 . 1 1 98 98 VAL HG13 H 1 1.06 0.05 . 1 . . . . . . . . 4985 1 1136 . 1 1 98 98 VAL HG21 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1137 . 1 1 98 98 VAL HG22 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1138 . 1 1 98 98 VAL HG23 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1139 . 1 1 98 98 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 4985 1 1140 . 1 1 99 99 PHE C C 13 172.9 0.2 . 1 . . . . . . . . 4985 1 1141 . 1 1 99 99 PHE CA C 13 56.9 0.2 . 1 . . . . . . . . 4985 1 1142 . 1 1 99 99 PHE CB C 13 40.7 0.2 . 1 . . . . . . . . 4985 1 1143 . 1 1 99 99 PHE H H 1 8.90 0.02 . 1 . . . . . . . . 4985 1 1144 . 1 1 99 99 PHE HA H 1 4.20 0.05 . 1 . . . . . . . . 4985 1 1145 . 1 1 99 99 PHE HB2 H 1 0.48 0.05 . 2 . . . . . . . . 4985 1 1146 . 1 1 99 99 PHE HB3 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 1147 . 1 1 99 99 PHE N N 15 130.4 0.2 . 1 . . . . . . . . 4985 1 1148 . 1 1 100 100 SER C C 13 171.5 0.2 . 1 . . . . . . . . 4985 1 1149 . 1 1 100 100 SER CA C 13 54.6 0.2 . 1 . . . . . . . . 4985 1 1150 . 1 1 100 100 SER CB C 13 64.6 0.2 . 1 . . . . . . . . 4985 1 1151 . 1 1 100 100 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4985 1 1152 . 1 1 100 100 SER HA H 1 5.15 0.05 . 1 . . . . . . . . 4985 1 1153 . 1 1 100 100 SER HB2 H 1 3.55 0.05 . 2 . . . . . . . . 4985 1 1154 . 1 1 100 100 SER HB3 H 1 3.79 0.05 . 2 . . . . . . . . 4985 1 1155 . 1 1 100 100 SER N N 15 122.1 0.2 . 1 . . . . . . . . 4985 1 1156 . 1 1 101 101 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4985 1 1157 . 1 1 101 101 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4985 1 1158 . 1 1 101 101 LEU CB C 13 44.6 0.2 . 1 . . . . . . . . 4985 1 1159 . 1 1 101 101 LEU CD1 C 13 26.6 0.2 . 4 . . . . . . . . 4985 1 1160 . 1 1 101 101 LEU CD2 C 13 26.6 0.2 . 4 . . . . . . . . 4985 1 1161 . 1 1 101 101 LEU CG C 13 29.3 0.2 . 1 . . . . . . . . 4985 1 1162 . 1 1 101 101 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4985 1 1163 . 1 1 101 101 LEU HA H 1 4.67 0.05 . 1 . . . . . . . . 4985 1 1164 . 1 1 101 101 LEU HB2 H 1 1.18 0.05 . 2 . . . . . . . . 4985 1 1165 . 1 1 101 101 LEU HB3 H 1 1.85 0.05 . 2 . . . . . . . . 4985 1 1166 . 1 1 101 101 LEU HD11 H 1 0.30 0.05 . 4 . . . . . . . . 4985 1 1167 . 1 1 101 101 LEU HD12 H 1 0.30 0.05 . 4 . . . . . . . . 4985 1 1168 . 1 1 101 101 LEU HD13 H 1 0.30 0.05 . 4 . . . . . . . . 4985 1 1169 . 1 1 101 101 LEU HD21 H 1 0.59 0.05 . 4 . . . . . . . . 4985 1 1170 . 1 1 101 101 LEU HD22 H 1 0.59 0.05 . 4 . . . . . . . . 4985 1 1171 . 1 1 101 101 LEU HD23 H 1 0.59 0.05 . 4 . . . . . . . . 4985 1 1172 . 1 1 101 101 LEU HG H 1 1.30 0.05 . 1 . . . . . . . . 4985 1 1173 . 1 1 101 101 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 4985 1 1174 . 1 1 102 102 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 4985 1 1175 . 1 1 102 102 GLY CA C 13 46.6 0.2 . 1 . . . . . . . . 4985 1 1176 . 1 1 102 102 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4985 1 1177 . 1 1 102 102 GLY HA2 H 1 4.29 0.05 . 2 . . . . . . . . 4985 1 1178 . 1 1 102 102 GLY HA3 H 1 5.26 0.05 . 2 . . . . . . . . 4985 1 1179 . 1 1 102 102 GLY N N 15 112.5 0.2 . 1 . . . . . . . . 4985 1 1180 . 1 1 103 103 ASP C C 13 176.9 0.2 . 1 . . . . . . . . 4985 1 1181 . 1 1 103 103 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 4985 1 1182 . 1 1 103 103 ASP CB C 13 44.1 0.2 . 1 . . . . . . . . 4985 1 1183 . 1 1 103 103 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 4985 1 1184 . 1 1 103 103 ASP HA H 1 5.64 0.05 . 1 . . . . . . . . 4985 1 1185 . 1 1 103 103 ASP HB2 H 1 3.04 0.05 . 1 . . . . . . . . 4985 1 1186 . 1 1 103 103 ASP HB3 H 1 3.04 0.05 . 1 . . . . . . . . 4985 1 1187 . 1 1 103 103 ASP N N 15 120.2 0.2 . 1 . . . . . . . . 4985 1 1188 . 1 1 104 104 THR C C 13 175.2 0.2 . 1 . . . . . . . . 4985 1 1189 . 1 1 104 104 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 4985 1 1190 . 1 1 104 104 THR CB C 13 61.4 0.2 . 1 . . . . . . . . 4985 1 1191 . 1 1 104 104 THR CG2 C 13 18.1 0.2 . 1 . . . . . . . . 4985 1 1192 . 1 1 104 104 THR H H 1 9.31 0.02 . 1 . . . . . . . . 4985 1 1193 . 1 1 104 104 THR HA H 1 3.58 0.05 . 1 . . . . . . . . 4985 1 1194 . 1 1 104 104 THR HB H 1 2.58 0.05 . 1 . . . . . . . . 4985 1 1195 . 1 1 104 104 THR HG21 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 1196 . 1 1 104 104 THR HG22 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 1197 . 1 1 104 104 THR HG23 H 1 0.65 0.05 . 1 . . . . . . . . 4985 1 1198 . 1 1 104 104 THR N N 15 123.1 0.2 . 1 . . . . . . . . 4985 1 1199 . 1 1 105 105 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 1200 . 1 1 105 105 SER CA C 13 60.4 0.2 . 1 . . . . . . . . 4985 1 1201 . 1 1 105 105 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 4985 1 1202 . 1 1 105 105 SER H H 1 9.11 0.02 . 1 . . . . . . . . 4985 1 1203 . 1 1 105 105 SER HA H 1 4.14 0.05 . 1 . . . . . . . . 4985 1 1204 . 1 1 105 105 SER HB2 H 1 3.55 0.05 . 2 . . . . . . . . 4985 1 1205 . 1 1 105 105 SER HB3 H 1 3.64 0.05 . 2 . . . . . . . . 4985 1 1206 . 1 1 105 105 SER N N 15 119.2 0.2 . 1 . . . . . . . . 4985 1 1207 . 1 1 106 106 TYR C C 13 175.3 0.2 . 1 . . . . . . . . 4985 1 1208 . 1 1 106 106 TYR CA C 13 57.9 0.2 . 1 . . . . . . . . 4985 1 1209 . 1 1 106 106 TYR CB C 13 38.5 0.2 . 1 . . . . . . . . 4985 1 1210 . 1 1 106 106 TYR H H 1 7.80 0.02 . 1 . . . . . . . . 4985 1 1211 . 1 1 106 106 TYR HA H 1 4.18 0.05 . 1 . . . . . . . . 4985 1 1212 . 1 1 106 106 TYR HB2 H 1 2.73 0.05 . 2 . . . . . . . . 4985 1 1213 . 1 1 106 106 TYR HB3 H 1 3.05 0.05 . 2 . . . . . . . . 4985 1 1214 . 1 1 106 106 TYR N N 15 121.1 0.2 . 1 . . . . . . . . 4985 1 1215 . 1 1 107 107 GLU C C 13 177.5 0.2 . 1 . . . . . . . . 4985 1 1216 . 1 1 107 107 GLU CA C 13 58.7 0.2 . 1 . . . . . . . . 4985 1 1217 . 1 1 107 107 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 4985 1 1218 . 1 1 107 107 GLU CG C 13 35.4 0.2 . 1 . . . . . . . . 4985 1 1219 . 1 1 107 107 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 4985 1 1220 . 1 1 107 107 GLU HA H 1 3.82 0.05 . 1 . . . . . . . . 4985 1 1221 . 1 1 107 107 GLU HB2 H 1 1.39 0.05 . 2 . . . . . . . . 4985 1 1222 . 1 1 107 107 GLU HB3 H 1 1.74 0.05 . 2 . . . . . . . . 4985 1 1223 . 1 1 107 107 GLU HG2 H 1 1.42 0.05 . 2 . . . . . . . . 4985 1 1224 . 1 1 107 107 GLU HG3 H 1 1.79 0.05 . 2 . . . . . . . . 4985 1 1225 . 1 1 107 107 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 4985 1 1226 . 1 1 108 108 PHE C C 13 178.1 0.2 . 1 . . . . . . . . 4985 1 1227 . 1 1 108 108 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 4985 1 1228 . 1 1 108 108 PHE CB C 13 36.4 0.2 . 1 . . . . . . . . 4985 1 1229 . 1 1 108 108 PHE H H 1 8.35 0.02 . 1 . . . . . . . . 4985 1 1230 . 1 1 108 108 PHE HA H 1 4.93 0.05 . 1 . . . . . . . . 4985 1 1231 . 1 1 108 108 PHE HB2 H 1 3.21 0.05 . 1 . . . . . . . . 4985 1 1232 . 1 1 108 108 PHE HB3 H 1 3.21 0.05 . 1 . . . . . . . . 4985 1 1233 . 1 1 108 108 PHE N N 15 117.8 0.2 . 1 . . . . . . . . 4985 1 1234 . 1 1 109 109 PHE C C 13 176.6 0.2 . 1 . . . . . . . . 4985 1 1235 . 1 1 109 109 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 4985 1 1236 . 1 1 109 109 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 4985 1 1237 . 1 1 109 109 PHE H H 1 7.96 0.02 . 1 . . . . . . . . 4985 1 1238 . 1 1 109 109 PHE HA H 1 5.20 0.05 . 1 . . . . . . . . 4985 1 1239 . 1 1 109 109 PHE HB2 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 1240 . 1 1 109 109 PHE HB3 H 1 3.28 0.05 . 2 . . . . . . . . 4985 1 1241 . 1 1 109 109 PHE N N 15 125.7 0.2 . 1 . . . . . . . . 4985 1 1242 . 1 1 110 110 CYS C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 1243 . 1 1 110 110 CYS CA C 13 63.2 0.2 . 1 . . . . . . . . 4985 1 1244 . 1 1 110 110 CYS CB C 13 24.8 0.2 . 1 . . . . . . . . 4985 1 1245 . 1 1 110 110 CYS H H 1 9.25 0.02 . 1 . . . . . . . . 4985 1 1246 . 1 1 110 110 CYS HA H 1 4.75 0.05 . 1 . . . . . . . . 4985 1 1247 . 1 1 110 110 CYS HB2 H 1 1.73 0.05 . 2 . . . . . . . . 4985 1 1248 . 1 1 110 110 CYS HB3 H 1 2.64 0.05 . 2 . . . . . . . . 4985 1 1249 . 1 1 110 110 CYS N N 15 121.2 0.2 . 1 . . . . . . . . 4985 1 1250 . 1 1 111 111 GLN C C 13 176.4 0.2 . 1 . . . . . . . . 4985 1 1251 . 1 1 111 111 GLN CA C 13 58.8 0.2 . 1 . . . . . . . . 4985 1 1252 . 1 1 111 111 GLN CB C 13 29.9 0.2 . 1 . . . . . . . . 4985 1 1253 . 1 1 111 111 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 4985 1 1254 . 1 1 111 111 GLN H H 1 6.72 0.02 . 1 . . . . . . . . 4985 1 1255 . 1 1 111 111 GLN HA H 1 3.50 0.05 . 1 . . . . . . . . 4985 1 1256 . 1 1 111 111 GLN HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4985 1 1257 . 1 1 111 111 GLN HB3 H 1 2.13 0.05 . 2 . . . . . . . . 4985 1 1258 . 1 1 111 111 GLN HG2 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1259 . 1 1 111 111 GLN HG3 H 1 2.32 0.05 . 2 . . . . . . . . 4985 1 1260 . 1 1 111 111 GLN HE21 H 1 6.84 0.05 . 2 . . . . . . . . 4985 1 1261 . 1 1 111 111 GLN HE22 H 1 7.52 0.05 . 2 . . . . . . . . 4985 1 1262 . 1 1 111 111 GLN N N 15 116.6 0.2 . 1 . . . . . . . . 4985 1 1263 . 1 1 111 111 GLN NE2 N 15 111.7 0.2 . 1 . . . . . . . . 4985 1 1264 . 1 1 112 112 SER C C 13 177.0 0.2 . 1 . . . . . . . . 4985 1 1265 . 1 1 112 112 SER CA C 13 61.7 0.2 . 1 . . . . . . . . 4985 1 1266 . 1 1 112 112 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 4985 1 1267 . 1 1 112 112 SER H H 1 8.29 0.02 . 1 . . . . . . . . 4985 1 1268 . 1 1 112 112 SER HA H 1 4.17 0.05 . 1 . . . . . . . . 4985 1 1269 . 1 1 112 112 SER HB2 H 1 3.55 0.05 . 2 . . . . . . . . 4985 1 1270 . 1 1 112 112 SER HB3 H 1 3.64 0.05 . 2 . . . . . . . . 4985 1 1271 . 1 1 112 112 SER N N 15 112.2 0.2 . 1 . . . . . . . . 4985 1 1272 . 1 1 113 113 GLY C C 13 175.9 0.2 . 1 . . . . . . . . 4985 1 1273 . 1 1 113 113 GLY CA C 13 47.1 0.2 . 1 . . . . . . . . 4985 1 1274 . 1 1 113 113 GLY H H 1 6.69 0.02 . 1 . . . . . . . . 4985 1 1275 . 1 1 113 113 GLY HA2 H 1 3.44 0.05 . 2 . . . . . . . . 4985 1 1276 . 1 1 113 113 GLY HA3 H 1 4.11 0.05 . 2 . . . . . . . . 4985 1 1277 . 1 1 113 113 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 4985 1 1278 . 1 1 114 114 LYS C C 13 179.1 0.2 . 1 . . . . . . . . 4985 1 1279 . 1 1 114 114 LYS CA C 13 60.9 0.2 . 1 . . . . . . . . 4985 1 1280 . 1 1 114 114 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 4985 1 1281 . 1 1 114 114 LYS CD C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 1282 . 1 1 114 114 LYS CE C 13 42.7 0.2 . 1 . . . . . . . . 4985 1 1283 . 1 1 114 114 LYS CG C 13 26.1 0.2 . 1 . . . . . . . . 4985 1 1284 . 1 1 114 114 LYS H H 1 7.76 0.02 . 1 . . . . . . . . 4985 1 1285 . 1 1 114 114 LYS HA H 1 3.65 0.05 . 1 . . . . . . . . 4985 1 1286 . 1 1 114 114 LYS HB2 H 1 1.76 0.05 . 2 . . . . . . . . 4985 1 1287 . 1 1 114 114 LYS HB3 H 1 1.82 0.05 . 2 . . . . . . . . 4985 1 1288 . 1 1 114 114 LYS HD2 H 1 1.35 0.05 . 2 . . . . . . . . 4985 1 1289 . 1 1 114 114 LYS HD3 H 1 1.62 0.05 . 2 . . . . . . . . 4985 1 1290 . 1 1 114 114 LYS HE2 H 1 2.73 0.05 . 2 . . . . . . . . 4985 1 1291 . 1 1 114 114 LYS HE3 H 1 2.88 0.05 . 2 . . . . . . . . 4985 1 1292 . 1 1 114 114 LYS HG2 H 1 1.18 0.05 . 2 . . . . . . . . 4985 1 1293 . 1 1 114 114 LYS HG3 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 1294 . 1 1 114 114 LYS N N 15 121.7 0.2 . 1 . . . . . . . . 4985 1 1295 . 1 1 115 115 ASP C C 13 178.2 0.2 . 1 . . . . . . . . 4985 1 1296 . 1 1 115 115 ASP CA C 13 57.2 0.2 . 1 . . . . . . . . 4985 1 1297 . 1 1 115 115 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 4985 1 1298 . 1 1 115 115 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 4985 1 1299 . 1 1 115 115 ASP HA H 1 4.43 0.05 . 1 . . . . . . . . 4985 1 1300 . 1 1 115 115 ASP HB2 H 1 2.44 0.05 . 2 . . . . . . . . 4985 1 1301 . 1 1 115 115 ASP HB3 H 1 3.00 0.05 . 2 . . . . . . . . 4985 1 1302 . 1 1 115 115 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4985 1 1303 . 1 1 116 116 PHE C C 13 176.8 0.2 . 1 . . . . . . . . 4985 1 1304 . 1 1 116 116 PHE CA C 13 63.0 0.2 . 1 . . . . . . . . 4985 1 1305 . 1 1 116 116 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 4985 1 1306 . 1 1 116 116 PHE H H 1 8.24 0.02 . 1 . . . . . . . . 4985 1 1307 . 1 1 116 116 PHE HA H 1 4.00 0.05 . 1 . . . . . . . . 4985 1 1308 . 1 1 116 116 PHE HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4985 1 1309 . 1 1 116 116 PHE HB3 H 1 2.92 0.05 . 2 . . . . . . . . 4985 1 1310 . 1 1 116 116 PHE N N 15 116.1 0.2 . 1 . . . . . . . . 4985 1 1311 . 1 1 117 117 ASP C C 13 177.1 0.2 . 1 . . . . . . . . 4985 1 1312 . 1 1 117 117 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4985 1 1313 . 1 1 117 117 ASP CB C 13 45.4 0.2 . 1 . . . . . . . . 4985 1 1314 . 1 1 117 117 ASP H H 1 8.53 0.02 . 1 . . . . . . . . 4985 1 1315 . 1 1 117 117 ASP HA H 1 4.52 0.05 . 1 . . . . . . . . 4985 1 1316 . 1 1 117 117 ASP HB2 H 1 2.62 0.05 . 2 . . . . . . . . 4985 1 1317 . 1 1 117 117 ASP HB3 H 1 2.82 0.05 . 2 . . . . . . . . 4985 1 1318 . 1 1 117 117 ASP N N 15 116.0 0.2 . 1 . . . . . . . . 4985 1 1319 . 1 1 118 118 SER C C 13 177.9 0.2 . 1 . . . . . . . . 4985 1 1320 . 1 1 118 118 SER CA C 13 60.9 0.2 . 1 . . . . . . . . 4985 1 1321 . 1 1 118 118 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4985 1 1322 . 1 1 118 118 SER H H 1 8.26 0.02 . 1 . . . . . . . . 4985 1 1323 . 1 1 118 118 SER HA H 1 4.14 0.05 . 1 . . . . . . . . 4985 1 1324 . 1 1 118 118 SER HB2 H 1 4.02 0.05 . 1 . . . . . . . . 4985 1 1325 . 1 1 118 118 SER HB3 H 1 4.02 0.05 . 1 . . . . . . . . 4985 1 1326 . 1 1 118 118 SER N N 15 110.9 0.2 . 1 . . . . . . . . 4985 1 1327 . 1 1 119 119 LYS C C 13 177.8 0.2 . 1 . . . . . . . . 4985 1 1328 . 1 1 119 119 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 4985 1 1329 . 1 1 119 119 LYS CB C 13 30.0 0.2 . 1 . . . . . . . . 4985 1 1330 . 1 1 119 119 LYS CD C 13 25.0 0.2 . 1 . . . . . . . . 4985 1 1331 . 1 1 119 119 LYS CE C 13 40.4 0.2 . 1 . . . . . . . . 4985 1 1332 . 1 1 119 119 LYS CG C 13 24.0 0.2 . 1 . . . . . . . . 4985 1 1333 . 1 1 119 119 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 4985 1 1334 . 1 1 119 119 LYS HA H 1 3.93 0.05 . 1 . . . . . . . . 4985 1 1335 . 1 1 119 119 LYS HB2 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 1336 . 1 1 119 119 LYS HB3 H 1 1.44 0.05 . 2 . . . . . . . . 4985 1 1337 . 1 1 119 119 LYS HD2 H 1 1.30 0.05 . 2 . . . . . . . . 4985 1 1338 . 1 1 119 119 LYS HD3 H 1 1.35 0.05 . 2 . . . . . . . . 4985 1 1339 . 1 1 119 119 LYS HE2 H 1 1.00 0.05 . 2 . . . . . . . . 4985 1 1340 . 1 1 119 119 LYS HE3 H 1 2.06 0.05 . 2 . . . . . . . . 4985 1 1341 . 1 1 119 119 LYS HG2 H 1 0.39 0.05 . 2 . . . . . . . . 4985 1 1342 . 1 1 119 119 LYS HG3 H 1 0.77 0.05 . 2 . . . . . . . . 4985 1 1343 . 1 1 119 119 LYS N N 15 123.3 0.2 . 1 . . . . . . . . 4985 1 1344 . 1 1 120 120 LEU C C 13 178.7 0.2 . 1 . . . . . . . . 4985 1 1345 . 1 1 120 120 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 4985 1 1346 . 1 1 120 120 LEU CB C 13 38.1 0.2 . 1 . . . . . . . . 4985 1 1347 . 1 1 120 120 LEU CD1 C 13 25.6 0.2 . 2 . . . . . . . . 4985 1 1348 . 1 1 120 120 LEU CD2 C 13 23.1 0.2 . 2 . . . . . . . . 4985 1 1349 . 1 1 120 120 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 4985 1 1350 . 1 1 120 120 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4985 1 1351 . 1 1 120 120 LEU HA H 1 3.55 0.05 . 1 . . . . . . . . 4985 1 1352 . 1 1 120 120 LEU HB2 H 1 -0.31 0.05 . 2 . . . . . . . . 4985 1 1353 . 1 1 120 120 LEU HB3 H 1 0.57 0.05 . 2 . . . . . . . . 4985 1 1354 . 1 1 120 120 LEU HD11 H 1 0.25 0.05 . 1 . . . . . . . . 4985 1 1355 . 1 1 120 120 LEU HD12 H 1 0.25 0.05 . 1 . . . . . . . . 4985 1 1356 . 1 1 120 120 LEU HD13 H 1 0.25 0.05 . 1 . . . . . . . . 4985 1 1357 . 1 1 120 120 LEU HD21 H 1 0.42 0.05 . 1 . . . . . . . . 4985 1 1358 . 1 1 120 120 LEU HD22 H 1 0.42 0.05 . 1 . . . . . . . . 4985 1 1359 . 1 1 120 120 LEU HD23 H 1 0.42 0.05 . 1 . . . . . . . . 4985 1 1360 . 1 1 120 120 LEU HG H 1 1.57 0.05 . 1 . . . . . . . . 4985 1 1361 . 1 1 120 120 LEU N N 15 116.6 0.2 . 1 . . . . . . . . 4985 1 1362 . 1 1 121 121 ALA C C 13 181.7 0.2 . 1 . . . . . . . . 4985 1 1363 . 1 1 121 121 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 4985 1 1364 . 1 1 121 121 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4985 1 1365 . 1 1 121 121 ALA H H 1 6.57 0.02 . 1 . . . . . . . . 4985 1 1366 . 1 1 121 121 ALA HA H 1 4.61 0.05 . 1 . . . . . . . . 4985 1 1367 . 1 1 121 121 ALA HB1 H 1 1.69 0.05 . 1 . . . . . . . . 4985 1 1368 . 1 1 121 121 ALA HB2 H 1 1.69 0.05 . 1 . . . . . . . . 4985 1 1369 . 1 1 121 121 ALA HB3 H 1 1.69 0.05 . 1 . . . . . . . . 4985 1 1370 . 1 1 121 121 ALA N N 15 117.9 0.2 . 1 . . . . . . . . 4985 1 1371 . 1 1 122 122 GLU C C 13 179.1 0.2 . 1 . . . . . . . . 4985 1 1372 . 1 1 122 122 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4985 1 1373 . 1 1 122 122 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4985 1 1374 . 1 1 122 122 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4985 1 1375 . 1 1 122 122 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4985 1 1376 . 1 1 122 122 GLU HA H 1 3.94 0.05 . 1 . . . . . . . . 4985 1 1377 . 1 1 122 122 GLU HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4985 1 1378 . 1 1 122 122 GLU HB3 H 1 2.11 0.05 . 2 . . . . . . . . 4985 1 1379 . 1 1 122 122 GLU HG2 H 1 2.34 0.05 . 1 . . . . . . . . 4985 1 1380 . 1 1 122 122 GLU HG3 H 1 2.34 0.05 . 1 . . . . . . . . 4985 1 1381 . 1 1 122 122 GLU N N 15 123.8 0.2 . 1 . . . . . . . . 4985 1 1382 . 1 1 123 123 LEU C C 13 176.7 0.2 . 1 . . . . . . . . 4985 1 1383 . 1 1 123 123 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4985 1 1384 . 1 1 123 123 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 4985 1 1385 . 1 1 123 123 LEU CD1 C 13 25.7 0.2 . 2 . . . . . . . . 4985 1 1386 . 1 1 123 123 LEU CD2 C 13 20.8 0.2 . 2 . . . . . . . . 4985 1 1387 . 1 1 123 123 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 4985 1 1388 . 1 1 123 123 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4985 1 1389 . 1 1 123 123 LEU HA H 1 4.17 0.05 . 1 . . . . . . . . 4985 1 1390 . 1 1 123 123 LEU HB2 H 1 1.62 0.05 . 2 . . . . . . . . 4985 1 1391 . 1 1 123 123 LEU HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 1392 . 1 1 123 123 LEU HD11 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1393 . 1 1 123 123 LEU HD12 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1394 . 1 1 123 123 LEU HD13 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1395 . 1 1 123 123 LEU HD21 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 1396 . 1 1 123 123 LEU HD22 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 1397 . 1 1 123 123 LEU HD23 H 1 0.63 0.05 . 1 . . . . . . . . 4985 1 1398 . 1 1 123 123 LEU HG H 1 1.70 0.05 . 1 . . . . . . . . 4985 1 1399 . 1 1 123 123 LEU N N 15 116.0 0.2 . 1 . . . . . . . . 4985 1 1400 . 1 1 124 124 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 4985 1 1401 . 1 1 124 124 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4985 1 1402 . 1 1 124 124 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 4985 1 1403 . 1 1 124 124 GLY HA2 H 1 3.66 0.05 . 2 . . . . . . . . 4985 1 1404 . 1 1 124 124 GLY HA3 H 1 4.66 0.05 . 2 . . . . . . . . 4985 1 1405 . 1 1 124 124 GLY N N 15 106.4 0.2 . 1 . . . . . . . . 4985 1 1406 . 1 1 125 125 GLY C C 13 172.5 0.2 . 1 . . . . . . . . 4985 1 1407 . 1 1 125 125 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4985 1 1408 . 1 1 125 125 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4985 1 1409 . 1 1 125 125 GLY HA2 H 1 3.27 0.05 . 2 . . . . . . . . 4985 1 1410 . 1 1 125 125 GLY HA3 H 1 4.48 0.05 . 2 . . . . . . . . 4985 1 1411 . 1 1 125 125 GLY N N 15 109.6 0.2 . 1 . . . . . . . . 4985 1 1412 . 1 1 126 126 GLU C C 13 174.3 0.2 . 1 . . . . . . . . 4985 1 1413 . 1 1 126 126 GLU CA C 13 54.4 0.2 . 1 . . . . . . . . 4985 1 1414 . 1 1 126 126 GLU CB C 13 31.2 0.2 . 1 . . . . . . . . 4985 1 1415 . 1 1 126 126 GLU CG C 13 35.5 0.2 . 1 . . . . . . . . 4985 1 1416 . 1 1 126 126 GLU H H 1 9.02 0.02 . 1 . . . . . . . . 4985 1 1417 . 1 1 126 126 GLU HA H 1 4.52 0.05 . 1 . . . . . . . . 4985 1 1418 . 1 1 126 126 GLU HB2 H 1 1.97 0.05 . 1 . . . . . . . . 4985 1 1419 . 1 1 126 126 GLU HB3 H 1 1.97 0.05 . 1 . . . . . . . . 4985 1 1420 . 1 1 126 126 GLU HG2 H 1 1.83 0.05 . 2 . . . . . . . . 4985 1 1421 . 1 1 126 126 GLU HG3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1422 . 1 1 126 126 GLU N N 15 125.0 0.2 . 1 . . . . . . . . 4985 1 1423 . 1 1 127 127 ARG C C 13 177.5 0.2 . 1 . . . . . . . . 4985 1 1424 . 1 1 127 127 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 4985 1 1425 . 1 1 127 127 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 1426 . 1 1 127 127 ARG CD C 13 43.6 0.2 . 1 . . . . . . . . 4985 1 1427 . 1 1 127 127 ARG CG C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 1428 . 1 1 127 127 ARG H H 1 8.62 0.02 . 1 . . . . . . . . 4985 1 1429 . 1 1 127 127 ARG HA H 1 2.97 0.05 . 1 . . . . . . . . 4985 1 1430 . 1 1 127 127 ARG HB2 H 1 1.10 0.05 . 4 . . . . . . . . 4985 1 1431 . 1 1 127 127 ARG HB3 H 1 1.50 0.05 . 4 . . . . . . . . 4985 1 1432 . 1 1 127 127 ARG HD2 H 1 1.56 0.05 . 1 . . . . . . . . 4985 1 1433 . 1 1 127 127 ARG HD3 H 1 1.56 0.05 . 1 . . . . . . . . 4985 1 1434 . 1 1 127 127 ARG HG2 H 1 1.10 0.05 . 4 . . . . . . . . 4985 1 1435 . 1 1 127 127 ARG HG3 H 1 1.50 0.05 . 4 . . . . . . . . 4985 1 1436 . 1 1 127 127 ARG N N 15 129.1 0.2 . 1 . . . . . . . . 4985 1 1437 . 1 1 128 128 LEU C C 13 176.2 0.2 . 1 . . . . . . . . 4985 1 1438 . 1 1 128 128 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4985 1 1439 . 1 1 128 128 LEU CB C 13 44.6 0.2 . 4 . . . . . . . . 4985 1 1440 . 1 1 128 128 LEU CD1 C 13 24.7 0.2 . 2 . . . . . . . . 4985 1 1441 . 1 1 128 128 LEU CD2 C 13 24.0 0.2 . 2 . . . . . . . . 4985 1 1442 . 1 1 128 128 LEU CG C 13 26.5 0.2 . 4 . . . . . . . . 4985 1 1443 . 1 1 128 128 LEU H H 1 9.53 0.02 . 1 . . . . . . . . 4985 1 1444 . 1 1 128 128 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 4985 1 1445 . 1 1 128 128 LEU HB2 H 1 1.18 0.05 . 2 . . . . . . . . 4985 1 1446 . 1 1 128 128 LEU HB3 H 1 1.37 0.05 . 2 . . . . . . . . 4985 1 1447 . 1 1 128 128 LEU HD11 H 1 0.56 0.05 . 1 . . . . . . . . 4985 1 1448 . 1 1 128 128 LEU HD12 H 1 0.56 0.05 . 1 . . . . . . . . 4985 1 1449 . 1 1 128 128 LEU HD13 H 1 0.56 0.05 . 1 . . . . . . . . 4985 1 1450 . 1 1 128 128 LEU HD21 H 1 0.60 0.05 . 1 . . . . . . . . 4985 1 1451 . 1 1 128 128 LEU HD22 H 1 0.60 0.05 . 1 . . . . . . . . 4985 1 1452 . 1 1 128 128 LEU HD23 H 1 0.60 0.05 . 1 . . . . . . . . 4985 1 1453 . 1 1 128 128 LEU HG H 1 1.50 0.05 . 1 . . . . . . . . 4985 1 1454 . 1 1 128 128 LEU N N 15 128.7 0.2 . 1 . . . . . . . . 4985 1 1455 . 1 1 129 129 LEU C C 13 174.8 0.2 . 1 . . . . . . . . 4985 1 1456 . 1 1 129 129 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 4985 1 1457 . 1 1 129 129 LEU CB C 13 47.0 0.2 . 1 . . . . . . . . 4985 1 1458 . 1 1 129 129 LEU CD1 C 13 26.6 0.2 . 2 . . . . . . . . 4985 1 1459 . 1 1 129 129 LEU CD2 C 13 25.1 0.2 . 2 . . . . . . . . 4985 1 1460 . 1 1 129 129 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4985 1 1461 . 1 1 129 129 LEU H H 1 6.77 0.02 . 1 . . . . . . . . 4985 1 1462 . 1 1 129 129 LEU HA H 1 4.47 0.05 . 1 . . . . . . . . 4985 1 1463 . 1 1 129 129 LEU HB2 H 1 1.51 0.05 . 2 . . . . . . . . 4985 1 1464 . 1 1 129 129 LEU HB3 H 1 1.70 0.05 . 2 . . . . . . . . 4985 1 1465 . 1 1 129 129 LEU HD11 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 1466 . 1 1 129 129 LEU HD12 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 1467 . 1 1 129 129 LEU HD13 H 1 0.66 0.05 . 1 . . . . . . . . 4985 1 1468 . 1 1 129 129 LEU HD21 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 1469 . 1 1 129 129 LEU HD22 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 1470 . 1 1 129 129 LEU HD23 H 1 0.83 0.05 . 1 . . . . . . . . 4985 1 1471 . 1 1 129 129 LEU HG H 1 1.44 0.05 . 1 . . . . . . . . 4985 1 1472 . 1 1 129 129 LEU N N 15 113.7 0.2 . 1 . . . . . . . . 4985 1 1473 . 1 1 130 130 ASP C C 13 176.8 0.2 . 1 . . . . . . . . 4985 1 1474 . 1 1 130 130 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 4985 1 1475 . 1 1 130 130 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 4985 1 1476 . 1 1 130 130 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4985 1 1477 . 1 1 130 130 ASP HA H 1 4.38 0.05 . 1 . . . . . . . . 4985 1 1478 . 1 1 130 130 ASP HB2 H 1 2.50 0.05 . 2 . . . . . . . . 4985 1 1479 . 1 1 130 130 ASP HB3 H 1 2.65 0.05 . 2 . . . . . . . . 4985 1 1480 . 1 1 130 130 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 4985 1 1481 . 1 1 131 131 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 4985 1 1482 . 1 1 131 131 ARG CA C 13 57.3 0.2 . 1 . . . . . . . . 4985 1 1483 . 1 1 131 131 ARG CB C 13 31.6 0.2 . 1 . . . . . . . . 4985 1 1484 . 1 1 131 131 ARG CD C 13 42.5 0.2 . 1 . . . . . . . . 4985 1 1485 . 1 1 131 131 ARG CG C 13 29.2 0.2 . 1 . . . . . . . . 4985 1 1486 . 1 1 131 131 ARG H H 1 9.12 0.02 . 1 . . . . . . . . 4985 1 1487 . 1 1 131 131 ARG HA H 1 4.35 0.05 . 1 . . . . . . . . 4985 1 1488 . 1 1 131 131 ARG HB2 H 1 1.51 0.05 . 2 . . . . . . . . 4985 1 1489 . 1 1 131 131 ARG HB3 H 1 1.73 0.05 . 2 . . . . . . . . 4985 1 1490 . 1 1 131 131 ARG HD2 H 1 2.73 0.05 . 1 . . . . . . . . 4985 1 1491 . 1 1 131 131 ARG HD3 H 1 2.73 0.05 . 1 . . . . . . . . 4985 1 1492 . 1 1 131 131 ARG HG2 H 1 1.21 0.05 . 1 . . . . . . . . 4985 1 1493 . 1 1 131 131 ARG HG3 H 1 1.21 0.05 . 1 . . . . . . . . 4985 1 1494 . 1 1 131 131 ARG N N 15 125.9 0.2 . 1 . . . . . . . . 4985 1 1495 . 1 1 132 132 VAL C C 13 172.8 0.2 . 1 . . . . . . . . 4985 1 1496 . 1 1 132 132 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 4985 1 1497 . 1 1 132 132 VAL CB C 13 34.4 0.2 . 1 . . . . . . . . 4985 1 1498 . 1 1 132 132 VAL CG1 C 13 22.9 0.2 . 2 . . . . . . . . 4985 1 1499 . 1 1 132 132 VAL CG2 C 13 21.6 0.2 . 2 . . . . . . . . 4985 1 1500 . 1 1 132 132 VAL H H 1 6.72 0.02 . 1 . . . . . . . . 4985 1 1501 . 1 1 132 132 VAL HA H 1 4.11 0.05 . 1 . . . . . . . . 4985 1 1502 . 1 1 132 132 VAL HB H 1 1.47 0.05 . 1 . . . . . . . . 4985 1 1503 . 1 1 132 132 VAL HG11 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1504 . 1 1 132 132 VAL HG12 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1505 . 1 1 132 132 VAL HG13 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1506 . 1 1 132 132 VAL HG21 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 1507 . 1 1 132 132 VAL HG22 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 1508 . 1 1 132 132 VAL HG23 H 1 0.74 0.05 . 1 . . . . . . . . 4985 1 1509 . 1 1 132 132 VAL N N 15 125.8 0.2 . 1 . . . . . . . . 4985 1 1510 . 1 1 133 133 ASP C C 13 173.8 0.2 . 1 . . . . . . . . 4985 1 1511 . 1 1 133 133 ASP CA C 13 52.7 0.2 . 1 . . . . . . . . 4985 1 1512 . 1 1 133 133 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 4985 1 1513 . 1 1 133 133 ASP H H 1 8.20 0.02 . 1 . . . . . . . . 4985 1 1514 . 1 1 133 133 ASP HA H 1 4.74 0.05 . 1 . . . . . . . . 4985 1 1515 . 1 1 133 133 ASP HB2 H 1 2.38 0.05 . 2 . . . . . . . . 4985 1 1516 . 1 1 133 133 ASP HB3 H 1 2.50 0.05 . 2 . . . . . . . . 4985 1 1517 . 1 1 133 133 ASP N N 15 127.8 0.2 . 1 . . . . . . . . 4985 1 1518 . 1 1 134 134 ALA C C 13 174.3 0.2 . 1 . . . . . . . . 4985 1 1519 . 1 1 134 134 ALA CA C 13 50.6 0.2 . 1 . . . . . . . . 4985 1 1520 . 1 1 134 134 ALA CB C 13 22.1 0.2 . 1 . . . . . . . . 4985 1 1521 . 1 1 134 134 ALA H H 1 8.77 0.02 . 1 . . . . . . . . 4985 1 1522 . 1 1 134 134 ALA HA H 1 4.55 0.05 . 1 . . . . . . . . 4985 1 1523 . 1 1 134 134 ALA HB1 H 1 1.36 0.05 . 1 . . . . . . . . 4985 1 1524 . 1 1 134 134 ALA HB2 H 1 1.36 0.05 . 1 . . . . . . . . 4985 1 1525 . 1 1 134 134 ALA HB3 H 1 1.36 0.05 . 1 . . . . . . . . 4985 1 1526 . 1 1 134 134 ALA N N 15 128.9 0.2 . 1 . . . . . . . . 4985 1 1527 . 1 1 135 135 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 4985 1 1528 . 1 1 135 135 ASP CA C 13 51.2 0.2 . 1 . . . . . . . . 4985 1 1529 . 1 1 135 135 ASP CB C 13 43.4 0.2 . 1 . . . . . . . . 4985 1 1530 . 1 1 135 135 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 4985 1 1531 . 1 1 135 135 ASP HA H 1 4.99 0.05 . 1 . . . . . . . . 4985 1 1532 . 1 1 135 135 ASP HB2 H 1 2.71 0.05 . 2 . . . . . . . . 4985 1 1533 . 1 1 135 135 ASP HB3 H 1 3.41 0.05 . 2 . . . . . . . . 4985 1 1534 . 1 1 135 135 ASP N N 15 122.5 0.2 . 1 . . . . . . . . 4985 1 1535 . 1 1 136 136 VAL C C 13 178.4 0.2 . 1 . . . . . . . . 4985 1 1536 . 1 1 136 136 VAL CA C 13 66.7 0.2 . 1 . . . . . . . . 4985 1 1537 . 1 1 136 136 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 4985 1 1538 . 1 1 136 136 VAL CG1 C 13 22.2 0.2 . 2 . . . . . . . . 4985 1 1539 . 1 1 136 136 VAL CG2 C 13 21.9 0.2 . 2 . . . . . . . . 4985 1 1540 . 1 1 136 136 VAL H H 1 9.24 0.02 . 1 . . . . . . . . 4985 1 1541 . 1 1 136 136 VAL HA H 1 4.14 0.05 . 1 . . . . . . . . 4985 1 1542 . 1 1 136 136 VAL HB H 1 2.17 0.05 . 1 . . . . . . . . 4985 1 1543 . 1 1 136 136 VAL HG11 H 1 1.27 0.05 . 1 . . . . . . . . 4985 1 1544 . 1 1 136 136 VAL HG12 H 1 1.27 0.05 . 1 . . . . . . . . 4985 1 1545 . 1 1 136 136 VAL HG13 H 1 1.27 0.05 . 1 . . . . . . . . 4985 1 1546 . 1 1 136 136 VAL HG21 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1547 . 1 1 136 136 VAL HG22 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1548 . 1 1 136 136 VAL HG23 H 1 1.18 0.05 . 1 . . . . . . . . 4985 1 1549 . 1 1 136 136 VAL N N 15 117.3 0.2 . 1 . . . . . . . . 4985 1 1550 . 1 1 137 137 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4985 1 1551 . 1 1 137 137 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4985 1 1552 . 1 1 137 137 GLU CB C 13 27.5 0.2 . 1 . . . . . . . . 4985 1 1553 . 1 1 137 137 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4985 1 1554 . 1 1 137 137 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 4985 1 1555 . 1 1 137 137 GLU HA H 1 4.70 0.05 . 1 . . . . . . . . 4985 1 1556 . 1 1 137 137 GLU HB2 H 1 2.06 0.05 . 1 . . . . . . . . 4985 1 1557 . 1 1 137 137 GLU HB3 H 1 2.06 0.05 . 1 . . . . . . . . 4985 1 1558 . 1 1 137 137 GLU HG2 H 1 2.29 0.05 . 1 . . . . . . . . 4985 1 1559 . 1 1 137 137 GLU HG3 H 1 2.29 0.05 . 1 . . . . . . . . 4985 1 1560 . 1 1 137 137 GLU N N 15 118.1 0.2 . 1 . . . . . . . . 4985 1 1561 . 1 1 138 138 TYR C C 13 176.5 0.2 . 1 . . . . . . . . 4985 1 1562 . 1 1 138 138 TYR CA C 13 57.2 0.2 . 1 . . . . . . . . 4985 1 1563 . 1 1 138 138 TYR CB C 13 39.8 0.2 . 1 . . . . . . . . 4985 1 1564 . 1 1 138 138 TYR H H 1 7.25 0.02 . 1 . . . . . . . . 4985 1 1565 . 1 1 138 138 TYR HA H 1 4.75 0.05 . 1 . . . . . . . . 4985 1 1566 . 1 1 138 138 TYR HB2 H 1 3.29 0.05 . 2 . . . . . . . . 4985 1 1567 . 1 1 138 138 TYR HB3 H 1 3.54 0.05 . 2 . . . . . . . . 4985 1 1568 . 1 1 138 138 TYR N N 15 120.0 0.2 . 1 . . . . . . . . 4985 1 1569 . 1 1 139 139 GLN C C 13 178.9 0.2 . 1 . . . . . . . . 4985 1 1570 . 1 1 139 139 GLN CA C 13 60.9 0.2 . 1 . . . . . . . . 4985 1 1571 . 1 1 139 139 GLN CB C 13 27.5 0.2 . 1 . . . . . . . . 4985 1 1572 . 1 1 139 139 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 4985 1 1573 . 1 1 139 139 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 4985 1 1574 . 1 1 139 139 GLN HA H 1 3.79 0.05 . 1 . . . . . . . . 4985 1 1575 . 1 1 139 139 GLN HB2 H 1 1.94 0.05 . 1 . . . . . . . . 4985 1 1576 . 1 1 139 139 GLN HB3 H 1 1.94 0.05 . 1 . . . . . . . . 4985 1 1577 . 1 1 139 139 GLN HG2 H 1 2.09 0.05 . 2 . . . . . . . . 4985 1 1578 . 1 1 139 139 GLN HG3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1579 . 1 1 139 139 GLN HE21 H 1 6.74 0.05 . 2 . . . . . . . . 4985 1 1580 . 1 1 139 139 GLN HE22 H 1 7.27 0.05 . 2 . . . . . . . . 4985 1 1581 . 1 1 139 139 GLN N N 15 123.4 0.2 . 1 . . . . . . . . 4985 1 1582 . 1 1 139 139 GLN NE2 N 15 111.0 0.2 . 1 . . . . . . . . 4985 1 1583 . 1 1 140 140 ALA C C 13 180.4 0.2 . 1 . . . . . . . . 4985 1 1584 . 1 1 140 140 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4985 1 1585 . 1 1 140 140 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4985 1 1586 . 1 1 140 140 ALA H H 1 8.76 0.02 . 1 . . . . . . . . 4985 1 1587 . 1 1 140 140 ALA HA H 1 4.26 0.05 . 1 . . . . . . . . 4985 1 1588 . 1 1 140 140 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4985 1 1589 . 1 1 140 140 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4985 1 1590 . 1 1 140 140 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4985 1 1591 . 1 1 140 140 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4985 1 1592 . 1 1 141 141 ALA C C 13 181.5 0.2 . 1 . . . . . . . . 4985 1 1593 . 1 1 141 141 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4985 1 1594 . 1 1 141 141 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4985 1 1595 . 1 1 141 141 ALA H H 1 8.55 0.02 . 1 . . . . . . . . 4985 1 1596 . 1 1 141 141 ALA HA H 1 4.34 0.05 . 1 . . . . . . . . 4985 1 1597 . 1 1 141 141 ALA HB1 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1598 . 1 1 141 141 ALA HB2 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1599 . 1 1 141 141 ALA HB3 H 1 1.68 0.05 . 1 . . . . . . . . 4985 1 1600 . 1 1 141 141 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 4985 1 1601 . 1 1 142 142 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 4985 1 1602 . 1 1 142 142 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4985 1 1603 . 1 1 142 142 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 4985 1 1604 . 1 1 142 142 ALA H H 1 9.09 0.02 . 1 . . . . . . . . 4985 1 1605 . 1 1 142 142 ALA HA H 1 4.11 0.05 . 1 . . . . . . . . 4985 1 1606 . 1 1 142 142 ALA HB1 H 1 1.54 0.05 . 1 . . . . . . . . 4985 1 1607 . 1 1 142 142 ALA HB2 H 1 1.54 0.05 . 1 . . . . . . . . 4985 1 1608 . 1 1 142 142 ALA HB3 H 1 1.54 0.05 . 1 . . . . . . . . 4985 1 1609 . 1 1 142 142 ALA N N 15 119.9 0.2 . 1 . . . . . . . . 4985 1 1610 . 1 1 143 143 SER C C 13 177.4 0.2 . 1 . . . . . . . . 4985 1 1611 . 1 1 143 143 SER CA C 13 62.0 0.2 . 1 . . . . . . . . 4985 1 1612 . 1 1 143 143 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 4985 1 1613 . 1 1 143 143 SER H H 1 8.31 0.02 . 1 . . . . . . . . 4985 1 1614 . 1 1 143 143 SER HA H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 1615 . 1 1 143 143 SER HB2 H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 1616 . 1 1 143 143 SER HB3 H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 1617 . 1 1 143 143 SER N N 15 114.3 0.2 . 1 . . . . . . . . 4985 1 1618 . 1 1 144 144 GLU C C 13 178.4 0.2 . 1 . . . . . . . . 4985 1 1619 . 1 1 144 144 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 4985 1 1620 . 1 1 144 144 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 4985 1 1621 . 1 1 144 144 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 4985 1 1622 . 1 1 144 144 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 4985 1 1623 . 1 1 144 144 GLU HA H 1 4.12 0.05 . 1 . . . . . . . . 4985 1 1624 . 1 1 144 144 GLU HB2 H 1 2.20 0.05 . 1 . . . . . . . . 4985 1 1625 . 1 1 144 144 GLU HB3 H 1 2.20 0.05 . 1 . . . . . . . . 4985 1 1626 . 1 1 144 144 GLU HG2 H 1 2.07 0.05 . 2 . . . . . . . . 4985 1 1627 . 1 1 144 144 GLU HG3 H 1 2.49 0.05 . 2 . . . . . . . . 4985 1 1628 . 1 1 144 144 GLU N N 15 122.0 0.2 . 1 . . . . . . . . 4985 1 1629 . 1 1 145 145 TRP C C 13 177.1 0.2 . 1 . . . . . . . . 4985 1 1630 . 1 1 145 145 TRP CA C 13 62.0 0.2 . 1 . . . . . . . . 4985 1 1631 . 1 1 145 145 TRP CB C 13 28.6 0.2 . 1 . . . . . . . . 4985 1 1632 . 1 1 145 145 TRP H H 1 8.45 0.02 . 1 . . . . . . . . 4985 1 1633 . 1 1 145 145 TRP HA H 1 4.17 0.05 . 1 . . . . . . . . 4985 1 1634 . 1 1 145 145 TRP HB2 H 1 3.40 0.05 . 2 . . . . . . . . 4985 1 1635 . 1 1 145 145 TRP HB3 H 1 3.50 0.05 . 2 . . . . . . . . 4985 1 1636 . 1 1 145 145 TRP N N 15 120.3 0.2 . 1 . . . . . . . . 4985 1 1637 . 1 1 146 146 ARG C C 13 177.5 0.2 . 1 . . . . . . . . 4985 1 1638 . 1 1 146 146 ARG CA C 13 60.4 0.2 . 1 . . . . . . . . 4985 1 1639 . 1 1 146 146 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 4985 1 1640 . 1 1 146 146 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 4985 1 1641 . 1 1 146 146 ARG CG C 13 29.0 0.2 . 1 . . . . . . . . 4985 1 1642 . 1 1 146 146 ARG H H 1 8.71 0.02 . 1 . . . . . . . . 4985 1 1643 . 1 1 146 146 ARG HA H 1 3.10 0.05 . 1 . . . . . . . . 4985 1 1644 . 1 1 146 146 ARG HB2 H 1 1.42 0.05 . 2 . . . . . . . . 4985 1 1645 . 1 1 146 146 ARG HB3 H 1 2.09 0.05 . 2 . . . . . . . . 4985 1 1646 . 1 1 146 146 ARG HD2 H 1 3.08 0.05 . 2 . . . . . . . . 4985 1 1647 . 1 1 146 146 ARG HD3 H 1 3.17 0.05 . 2 . . . . . . . . 4985 1 1648 . 1 1 146 146 ARG HG2 H 1 1.76 0.05 . 2 . . . . . . . . 4985 1 1649 . 1 1 146 146 ARG HG3 H 1 1.88 0.05 . 2 . . . . . . . . 4985 1 1650 . 1 1 146 146 ARG N N 15 117.0 0.2 . 1 . . . . . . . . 4985 1 1651 . 1 1 147 147 ALA C C 13 180.7 0.2 . 1 . . . . . . . . 4985 1 1652 . 1 1 147 147 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4985 1 1653 . 1 1 147 147 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4985 1 1654 . 1 1 147 147 ALA H H 1 6.95 0.02 . 1 . . . . . . . . 4985 1 1655 . 1 1 147 147 ALA HA H 1 3.89 0.05 . 1 . . . . . . . . 4985 1 1656 . 1 1 147 147 ALA HB1 H 1 1.43 0.05 . 1 . . . . . . . . 4985 1 1657 . 1 1 147 147 ALA HB2 H 1 1.43 0.05 . 1 . . . . . . . . 4985 1 1658 . 1 1 147 147 ALA HB3 H 1 1.43 0.05 . 1 . . . . . . . . 4985 1 1659 . 1 1 147 147 ALA N N 15 117.3 0.2 . 1 . . . . . . . . 4985 1 1660 . 1 1 148 148 ARG C C 13 179.7 0.2 . 1 . . . . . . . . 4985 1 1661 . 1 1 148 148 ARG CA C 13 59.2 0.2 . 1 . . . . . . . . 4985 1 1662 . 1 1 148 148 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 4985 1 1663 . 1 1 148 148 ARG CD C 13 43.9 0.2 . 1 . . . . . . . . 4985 1 1664 . 1 1 148 148 ARG CG C 13 28.0 0.2 . 1 . . . . . . . . 4985 1 1665 . 1 1 148 148 ARG H H 1 7.54 0.02 . 1 . . . . . . . . 4985 1 1666 . 1 1 148 148 ARG HA H 1 4.03 0.05 . 1 . . . . . . . . 4985 1 1667 . 1 1 148 148 ARG HB2 H 1 1.74 0.05 . 2 . . . . . . . . 4985 1 1668 . 1 1 148 148 ARG HB3 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 1669 . 1 1 148 148 ARG HD2 H 1 3.29 0.05 . 1 . . . . . . . . 4985 1 1670 . 1 1 148 148 ARG HD3 H 1 3.29 0.05 . 1 . . . . . . . . 4985 1 1671 . 1 1 148 148 ARG HG2 H 1 1.68 0.05 . 2 . . . . . . . . 4985 1 1672 . 1 1 148 148 ARG HG3 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 1673 . 1 1 148 148 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 4985 1 1674 . 1 1 149 149 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 4985 1 1675 . 1 1 149 149 VAL CA C 13 66.4 0.2 . 1 . . . . . . . . 4985 1 1676 . 1 1 149 149 VAL CB C 13 30.6 0.2 . 1 . . . . . . . . 4985 1 1677 . 1 1 149 149 VAL CG1 C 13 22.8 0.2 . 2 . . . . . . . . 4985 1 1678 . 1 1 149 149 VAL CG2 C 13 22.2 0.2 . 2 . . . . . . . . 4985 1 1679 . 1 1 149 149 VAL H H 1 8.59 0.02 . 1 . . . . . . . . 4985 1 1680 . 1 1 149 149 VAL HA H 1 3.20 0.05 . 1 . . . . . . . . 4985 1 1681 . 1 1 149 149 VAL HB H 1 1.29 0.05 . 1 . . . . . . . . 4985 1 1682 . 1 1 149 149 VAL HG11 H 1 0.30 0.05 . 1 . . . . . . . . 4985 1 1683 . 1 1 149 149 VAL HG12 H 1 0.30 0.05 . 1 . . . . . . . . 4985 1 1684 . 1 1 149 149 VAL HG13 H 1 0.30 0.05 . 1 . . . . . . . . 4985 1 1685 . 1 1 149 149 VAL HG21 H 1 -0.24 0.05 . 1 . . . . . . . . 4985 1 1686 . 1 1 149 149 VAL HG22 H 1 -0.24 0.05 . 1 . . . . . . . . 4985 1 1687 . 1 1 149 149 VAL HG23 H 1 -0.24 0.05 . 1 . . . . . . . . 4985 1 1688 . 1 1 149 149 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 4985 1 1689 . 1 1 150 150 VAL C C 13 177.7 0.2 . 1 . . . . . . . . 4985 1 1690 . 1 1 150 150 VAL CA C 13 67.6 0.2 . 1 . . . . . . . . 4985 1 1691 . 1 1 150 150 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 4985 1 1692 . 1 1 150 150 VAL CG1 C 13 23.4 0.2 . 2 . . . . . . . . 4985 1 1693 . 1 1 150 150 VAL CG2 C 13 21.3 0.2 . 2 . . . . . . . . 4985 1 1694 . 1 1 150 150 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 4985 1 1695 . 1 1 150 150 VAL HA H 1 3.18 0.05 . 1 . . . . . . . . 4985 1 1696 . 1 1 150 150 VAL HB H 1 1.98 0.05 . 1 . . . . . . . . 4985 1 1697 . 1 1 150 150 VAL HG11 H 1 0.82 0.05 . 1 . . . . . . . . 4985 1 1698 . 1 1 150 150 VAL HG12 H 1 0.82 0.05 . 1 . . . . . . . . 4985 1 1699 . 1 1 150 150 VAL HG13 H 1 0.82 0.05 . 1 . . . . . . . . 4985 1 1700 . 1 1 150 150 VAL HG21 H 1 0.77 0.05 . 1 . . . . . . . . 4985 1 1701 . 1 1 150 150 VAL HG22 H 1 0.77 0.05 . 1 . . . . . . . . 4985 1 1702 . 1 1 150 150 VAL HG23 H 1 0.77 0.05 . 1 . . . . . . . . 4985 1 1703 . 1 1 150 150 VAL N N 15 120.0 0.2 . 1 . . . . . . . . 4985 1 1704 . 1 1 151 151 ASP C C 13 178.8 0.2 . 1 . . . . . . . . 4985 1 1705 . 1 1 151 151 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4985 1 1706 . 1 1 151 151 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4985 1 1707 . 1 1 151 151 ASP H H 1 7.38 0.02 . 1 . . . . . . . . 4985 1 1708 . 1 1 151 151 ASP HA H 1 4.27 0.05 . 1 . . . . . . . . 4985 1 1709 . 1 1 151 151 ASP HB2 H 1 2.56 0.05 . 2 . . . . . . . . 4985 1 1710 . 1 1 151 151 ASP HB3 H 1 2.62 0.05 . 2 . . . . . . . . 4985 1 1711 . 1 1 151 151 ASP N N 15 117.0 0.2 . 1 . . . . . . . . 4985 1 1712 . 1 1 152 152 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 4985 1 1713 . 1 1 152 152 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 4985 1 1714 . 1 1 152 152 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4985 1 1715 . 1 1 152 152 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 4985 1 1716 . 1 1 152 152 ALA HA H 1 4.07 0.05 . 1 . . . . . . . . 4985 1 1717 . 1 1 152 152 ALA HB1 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1718 . 1 1 152 152 ALA HB2 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1719 . 1 1 152 152 ALA HB3 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1720 . 1 1 152 152 ALA N N 15 121.2 0.2 . 1 . . . . . . . . 4985 1 1721 . 1 1 153 153 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 4985 1 1722 . 1 1 153 153 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 4985 1 1723 . 1 1 153 153 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4985 1 1724 . 1 1 153 153 LEU CD1 C 13 26.8 0.2 . 2 . . . . . . . . 4985 1 1725 . 1 1 153 153 LEU CD2 C 13 24.2 0.2 . 2 . . . . . . . . 4985 1 1726 . 1 1 153 153 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4985 1 1727 . 1 1 153 153 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4985 1 1728 . 1 1 153 153 LEU HA H 1 3.96 0.05 . 1 . . . . . . . . 4985 1 1729 . 1 1 153 153 LEU HB2 H 1 1.15 0.05 . 2 . . . . . . . . 4985 1 1730 . 1 1 153 153 LEU HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4985 1 1731 . 1 1 153 153 LEU HD11 H 1 0.68 0.05 . 1 . . . . . . . . 4985 1 1732 . 1 1 153 153 LEU HD12 H 1 0.68 0.05 . 1 . . . . . . . . 4985 1 1733 . 1 1 153 153 LEU HD13 H 1 0.68 0.05 . 1 . . . . . . . . 4985 1 1734 . 1 1 153 153 LEU HD21 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1735 . 1 1 153 153 LEU HD22 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1736 . 1 1 153 153 LEU HD23 H 1 0.71 0.05 . 1 . . . . . . . . 4985 1 1737 . 1 1 153 153 LEU HG H 1 1.79 0.05 . 1 . . . . . . . . 4985 1 1738 . 1 1 153 153 LEU N N 15 117.5 0.2 . 1 . . . . . . . . 4985 1 1739 . 1 1 154 154 LYS C C 13 178.8 0.2 . 1 . . . . . . . . 4985 1 1740 . 1 1 154 154 LYS CA C 13 59.8 0.2 . 1 . . . . . . . . 4985 1 1741 . 1 1 154 154 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 4985 1 1742 . 1 1 154 154 LYS CD C 13 29.8 0.2 . 1 . . . . . . . . 4985 1 1743 . 1 1 154 154 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4985 1 1744 . 1 1 154 154 LYS CG C 13 25.6 0.2 . 1 . . . . . . . . 4985 1 1745 . 1 1 154 154 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4985 1 1746 . 1 1 154 154 LYS HA H 1 3.96 0.05 . 1 . . . . . . . . 4985 1 1747 . 1 1 154 154 LYS HB2 H 1 1.80 0.05 . 2 . . . . . . . . 4985 1 1748 . 1 1 154 154 LYS HB3 H 1 1.94 0.05 . 2 . . . . . . . . 4985 1 1749 . 1 1 154 154 LYS HD2 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1750 . 1 1 154 154 LYS HD3 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1751 . 1 1 154 154 LYS HE2 H 1 2.91 0.05 . 1 . . . . . . . . 4985 1 1752 . 1 1 154 154 LYS HE3 H 1 2.91 0.05 . 1 . . . . . . . . 4985 1 1753 . 1 1 154 154 LYS HG2 H 1 1.47 0.05 . 2 . . . . . . . . 4985 1 1754 . 1 1 154 154 LYS HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4985 1 1755 . 1 1 154 154 LYS N N 15 119.0 0.2 . 1 . . . . . . . . 4985 1 1756 . 1 1 155 155 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4985 1 1757 . 1 1 155 155 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 4985 1 1758 . 1 1 155 155 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 4985 1 1759 . 1 1 155 155 SER H H 1 7.50 0.02 . 1 . . . . . . . . 4985 1 1760 . 1 1 155 155 SER HA H 1 4.37 0.05 . 1 . . . . . . . . 4985 1 1761 . 1 1 155 155 SER HB2 H 1 3.94 0.05 . 1 . . . . . . . . 4985 1 1762 . 1 1 155 155 SER HB3 H 1 3.94 0.05 . 1 . . . . . . . . 4985 1 1763 . 1 1 155 155 SER N N 15 111.7 0.2 . 1 . . . . . . . . 4985 1 1764 . 1 1 156 156 ARG C C 13 175.4 0.2 . 1 . . . . . . . . 4985 1 1765 . 1 1 156 156 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 4985 1 1766 . 1 1 156 156 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 4985 1 1767 . 1 1 156 156 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 4985 1 1768 . 1 1 156 156 ARG CG C 13 27.5 0.2 . 1 . . . . . . . . 4985 1 1769 . 1 1 156 156 ARG H H 1 7.29 0.02 . 1 . . . . . . . . 4985 1 1770 . 1 1 156 156 ARG HA H 1 4.34 0.05 . 1 . . . . . . . . 4985 1 1771 . 1 1 156 156 ARG HB2 H 1 1.74 0.05 . 2 . . . . . . . . 4985 1 1772 . 1 1 156 156 ARG HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 1773 . 1 1 156 156 ARG HD2 H 1 3.02 0.05 . 1 . . . . . . . . 4985 1 1774 . 1 1 156 156 ARG HD3 H 1 3.02 0.05 . 1 . . . . . . . . 4985 1 1775 . 1 1 156 156 ARG HG2 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1776 . 1 1 156 156 ARG HG3 H 1 1.65 0.05 . 1 . . . . . . . . 4985 1 1777 . 1 1 156 156 ARG N N 15 119.8 0.2 . 1 . . . . . . . . 4985 1 1778 . 1 1 157 157 ALA C C 13 174.7 0.2 . 1 . . . . . . . . 4985 1 1779 . 1 1 157 157 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 4985 1 1780 . 1 1 157 157 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4985 1 1781 . 1 1 157 157 ALA H H 1 7.80 0.02 . 1 . . . . . . . . 4985 1 1782 . 1 1 157 157 ALA HA H 1 4.56 0.05 . 1 . . . . . . . . 4985 1 1783 . 1 1 157 157 ALA HB1 H 1 1.32 0.05 . 1 . . . . . . . . 4985 1 1784 . 1 1 157 157 ALA HB2 H 1 1.32 0.05 . 1 . . . . . . . . 4985 1 1785 . 1 1 157 157 ALA HB3 H 1 1.32 0.05 . 1 . . . . . . . . 4985 1 1786 . 1 1 157 157 ALA N N 15 125.0 0.2 . 1 . . . . . . . . 4985 1 1787 . 1 1 158 158 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4985 1 1788 . 1 1 158 158 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 4985 1 1789 . 1 1 158 158 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4985 1 1790 . 1 1 158 158 PRO CD C 13 50.5 0.2 . 1 . . . . . . . . 4985 1 1791 . 1 1 158 158 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4985 1 1792 . 1 1 158 158 PRO HA H 1 4.46 0.05 . 1 . . . . . . . . 4985 1 1793 . 1 1 158 158 PRO HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4985 1 1794 . 1 1 158 158 PRO HB3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1795 . 1 1 158 158 PRO HD2 H 1 3.62 0.05 . 2 . . . . . . . . 4985 1 1796 . 1 1 158 158 PRO HD3 H 1 3.76 0.05 . 2 . . . . . . . . 4985 1 1797 . 1 1 158 158 PRO HG2 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 1798 . 1 1 158 158 PRO HG3 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 1799 . 1 1 159 159 VAL C C 13 175.9 0.2 . 1 . . . . . . . . 4985 1 1800 . 1 1 159 159 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 4985 1 1801 . 1 1 159 159 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 4985 1 1802 . 1 1 159 159 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 4985 1 1803 . 1 1 159 159 VAL CG2 C 13 21.0 0.2 . 1 . . . . . . . . 4985 1 1804 . 1 1 159 159 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 4985 1 1805 . 1 1 159 159 VAL HA H 1 4.08 0.05 . 1 . . . . . . . . 4985 1 1806 . 1 1 159 159 VAL HB H 1 2.05 0.05 . 1 . . . . . . . . 4985 1 1807 . 1 1 159 159 VAL HG11 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1808 . 1 1 159 159 VAL HG12 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1809 . 1 1 159 159 VAL HG13 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1810 . 1 1 159 159 VAL HG21 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1811 . 1 1 159 159 VAL HG22 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1812 . 1 1 159 159 VAL HG23 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1813 . 1 1 159 159 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 4985 1 1814 . 1 1 160 160 ALA C C 13 176.8 0.2 . 1 . . . . . . . . 4985 1 1815 . 1 1 160 160 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 4985 1 1816 . 1 1 160 160 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4985 1 1817 . 1 1 160 160 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4985 1 1818 . 1 1 160 160 ALA HA H 1 4.30 0.05 . 1 . . . . . . . . 4985 1 1819 . 1 1 160 160 ALA HB1 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1820 . 1 1 160 160 ALA HB2 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1821 . 1 1 160 160 ALA HB3 H 1 1.35 0.05 . 1 . . . . . . . . 4985 1 1822 . 1 1 160 160 ALA N N 15 127.6 0.2 . 1 . . . . . . . . 4985 1 1823 . 1 1 161 161 ALA C C 13 175.7 0.2 . 1 . . . . . . . . 4985 1 1824 . 1 1 161 161 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 4985 1 1825 . 1 1 161 161 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4985 1 1826 . 1 1 161 161 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 4985 1 1827 . 1 1 161 161 ALA HA H 1 4.55 0.05 . 1 . . . . . . . . 4985 1 1828 . 1 1 161 161 ALA HB1 H 1 1.33 0.05 . 1 . . . . . . . . 4985 1 1829 . 1 1 161 161 ALA HB2 H 1 1.33 0.05 . 1 . . . . . . . . 4985 1 1830 . 1 1 161 161 ALA HB3 H 1 1.33 0.05 . 1 . . . . . . . . 4985 1 1831 . 1 1 161 161 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 4985 1 1832 . 1 1 162 162 PRO C C 13 177.1 0.2 . 1 . . . . . . . . 4985 1 1833 . 1 1 162 162 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 4985 1 1834 . 1 1 162 162 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4985 1 1835 . 1 1 162 162 PRO CD C 13 50.5 0.2 . 1 . . . . . . . . 4985 1 1836 . 1 1 162 162 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 4985 1 1837 . 1 1 162 162 PRO HA H 1 4.43 0.05 . 1 . . . . . . . . 4985 1 1838 . 1 1 162 162 PRO HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4985 1 1839 . 1 1 162 162 PRO HB3 H 1 2.27 0.05 . 2 . . . . . . . . 4985 1 1840 . 1 1 162 162 PRO HD2 H 1 3.62 0.05 . 2 . . . . . . . . 4985 1 1841 . 1 1 162 162 PRO HD3 H 1 3.77 0.05 . 2 . . . . . . . . 4985 1 1842 . 1 1 162 162 PRO HG2 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 1843 . 1 1 162 162 PRO HG3 H 1 2.00 0.05 . 1 . . . . . . . . 4985 1 1844 . 1 1 163 163 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4985 1 1845 . 1 1 163 163 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4985 1 1846 . 1 1 163 163 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4985 1 1847 . 1 1 163 163 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4985 1 1848 . 1 1 163 163 SER HA H 1 4.21 0.05 . 1 . . . . . . . . 4985 1 1849 . 1 1 163 163 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 4985 1 1850 . 1 1 163 163 SER HB3 H 1 3.82 0.05 . 1 . . . . . . . . 4985 1 1851 . 1 1 163 163 SER N N 15 115.7 0.2 . 1 . . . . . . . . 4985 1 1852 . 1 1 164 164 GLN C C 13 174.6 0.2 . 1 . . . . . . . . 4985 1 1853 . 1 1 164 164 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 4985 1 1854 . 1 1 164 164 GLN CB C 13 30.1 0.2 . 1 . . . . . . . . 4985 1 1855 . 1 1 164 164 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 4985 1 1856 . 1 1 164 164 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 4985 1 1857 . 1 1 164 164 GLN HA H 1 4.40 0.05 . 1 . . . . . . . . 4985 1 1858 . 1 1 164 164 GLN HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4985 1 1859 . 1 1 164 164 GLN HB3 H 1 2.12 0.05 . 2 . . . . . . . . 4985 1 1860 . 1 1 164 164 GLN HG2 H 1 2.35 0.05 . 1 . . . . . . . . 4985 1 1861 . 1 1 164 164 GLN HG3 H 1 2.35 0.05 . 1 . . . . . . . . 4985 1 1862 . 1 1 164 164 GLN HE21 H 1 6.83 0.05 . 2 . . . . . . . . 4985 1 1863 . 1 1 164 164 GLN HE22 H 1 7.51 0.05 . 2 . . . . . . . . 4985 1 1864 . 1 1 164 164 GLN N N 15 121.8 0.2 . 1 . . . . . . . . 4985 1 1865 . 1 1 164 164 GLN NE2 N 15 112.2 0.2 . 1 . . . . . . . . 4985 1 1866 . 1 1 165 165 SER C C 13 174.3 0.2 . 1 . . . . . . . . 4985 1 1867 . 1 1 165 165 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4985 1 1868 . 1 1 165 165 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4985 1 1869 . 1 1 165 165 SER H H 1 8.26 0.02 . 1 . . . . . . . . 4985 1 1870 . 1 1 165 165 SER HA H 1 4.46 0.05 . 1 . . . . . . . . 4985 1 1871 . 1 1 165 165 SER HB2 H 1 3.83 0.05 . 1 . . . . . . . . 4985 1 1872 . 1 1 165 165 SER HB3 H 1 3.83 0.05 . 1 . . . . . . . . 4985 1 1873 . 1 1 165 165 SER N N 15 117.3 0.2 . 1 . . . . . . . . 4985 1 1874 . 1 1 166 166 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 4985 1 1875 . 1 1 166 166 VAL CA C 13 62.2 0.2 . 1 . . . . . . . . 4985 1 1876 . 1 1 166 166 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 4985 1 1877 . 1 1 166 166 VAL CG1 C 13 21.3 0.2 . 4 . . . . . . . . 4985 1 1878 . 1 1 166 166 VAL CG2 C 13 20.1 0.2 . 4 . . . . . . . . 4985 1 1879 . 1 1 166 166 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 4985 1 1880 . 1 1 166 166 VAL HA H 1 4.17 0.05 . 1 . . . . . . . . 4985 1 1881 . 1 1 166 166 VAL HB H 1 2.10 0.05 . 1 . . . . . . . . 4985 1 1882 . 1 1 166 166 VAL HG11 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1883 . 1 1 166 166 VAL HG12 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1884 . 1 1 166 166 VAL HG13 H 1 0.94 0.05 . 1 . . . . . . . . 4985 1 1885 . 1 1 166 166 VAL HG21 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 1886 . 1 1 166 166 VAL HG22 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 1887 . 1 1 166 166 VAL HG23 H 1 0.89 0.05 . 1 . . . . . . . . 4985 1 1888 . 1 1 166 166 VAL N N 15 121.5 0.2 . 1 . . . . . . . . 4985 1 1889 . 1 1 167 167 ALA C C 13 182.3 0.2 . 1 . . . . . . . . 4985 1 1890 . 1 1 167 167 ALA CA C 13 53.5 0.2 . 1 . . . . . . . . 4985 1 1891 . 1 1 167 167 ALA CB C 13 19.9 0.2 . 1 . . . . . . . . 4985 1 1892 . 1 1 167 167 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 4985 1 1893 . 1 1 167 167 ALA HA H 1 4.11 0.05 . 1 . . . . . . . . 4985 1 1894 . 1 1 167 167 ALA HB1 H 1 1.30 0.05 . 1 . . . . . . . . 4985 1 1895 . 1 1 167 167 ALA HB2 H 1 1.30 0.05 . 1 . . . . . . . . 4985 1 1896 . 1 1 167 167 ALA HB3 H 1 1.30 0.05 . 1 . . . . . . . . 4985 1 1897 . 1 1 167 167 ALA N N 15 132.6 0.2 . 1 . . . . . . . . 4985 1 stop_ save_