data_19425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19425 _Entry.Title ; X-ray crystallography-solution NMR hybrid structure of mouse RyR2 domain A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-13 _Entry.Accession_date 2013-08-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Fernando Amador . . . 19425 2 Peter Stathopulos . . . 19425 3 Genevieve Seabrook . . . 19425 4 Mitsuhiko Ikura . . . 19425 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19425 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha2 helix' . 19425 'domain A' . 19425 'ryanodine receptor' . 19425 'solution NMR' . 19425 'type II' . 19425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 19425 '15N chemical shifts' 185 19425 '1H chemical shifts' 185 19425 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-09 2013-08-13 update BMRB 'update entry citation' 19425 1 . . 2013-09-10 2013-08-13 original author 'original release' 19425 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19424 'delta exon 3 RyR2A backbone chemical shift assignments' 19425 PDB 3IM5 'RyR2A crystal structure' 19425 PDB 3QR5 'delta exon 3 RyR2A crystal structure' 19425 PDB 4KEI 'P164S RyR2A crystal structure' 19425 PDB 4KEJ 'R169Q RyR2A crystal structure' 19425 PDB 4KEK 'R176Q RyR2A crystal structure' 19425 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19425 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23978697 _Citation.Full_citation . _Citation.Title 'Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic -Helix That Transitions to a -Strand in a Mutant Linked with a Heritable Cardiomyopathy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 21 _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 4034 _Citation.Page_last 4046 _Citation.Year 2013 _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 Fernando Amador . J. . 19425 1 2 Lynn Kimlicka . . . 19425 1 3 Peter Stathopulos . B. . 19425 1 4 Genevieve Gasmi-Seabrook . M.C. . 19425 1 5 David Maclennan . H. . 19425 1 6 Filip 'Van Petegem' . . . 19425 1 7 Mitsuhiko Ikura . . . 19425 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19425 _Assembly.ID 1 _Assembly.Name 'mouse RyR2 domain A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'mouse RyR2 domain A' 1 $entity A . yes native no no . . . 19425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGSEIQFLRTDDEVVLQCT ATIHKEQQKLCLAAEGFGNR LCFLESTSNSKNVPPDLSIC TFVLEQSLSVRALQEMLANT VEKSEGQVDVEKWKFMMKTA QGGGHRTLLYGHAILLRHSY SGMYLCCLSTSRSSTDKLAF DVGLQEDTTGEACWWTIHPA SKQRSEGEKVRVGDDLILVS VSSERYLHLSYGNSSWHVDA AFQQTLWSVAPISSGSEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 are a cloning artifact; residues 5-219 correspond to 10-224 of mouse RyR2 (E9Q401).' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23049.213 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP E9Q401 . "ryanodine receptor-2" . . . . . . . . . . . . . . 19425 1 2 no PDB 2MC2 . "X-ray Crystallography-solution Nmr Hybrid Structure Of Mouse Ryr2 Domain A" . . . . . 100.00 219 100.00 100.00 1.35e-159 . . . . 19425 1 3 no PDB 3IM5 . "Crystal Structure Of Mouse Ryanodine Receptor 2 (Residues 1-217)" . . . . . 94.98 217 100.00 100.00 6.31e-152 . . . . 19425 1 4 no PDB 3IM6 . "Crystal Structure Of Mouse Ryanodine Receptor 2 Mutant V186m" . . . . . 94.98 217 99.52 100.00 1.71e-151 . . . . 19425 1 5 no PDB 3IM7 . "Crystal Structure Of Mouse Ryanodine Receptor 2 N-Terminal Domain (1-217) Disease Mutant A77v" . . . . . 94.98 217 99.52 99.52 2.70e-151 . . . . 19425 1 6 no PDB 4JKQ . "Crystal Structure Of The N-terminal Region Of The Human Ryanodine Receptor 2" . . . . . 98.17 606 99.07 99.07 2.54e-149 . . . . 19425 1 7 no PDB 4KEI . "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant P164s" . . . . . 94.98 217 99.52 99.52 9.62e-151 . . . . 19425 1 8 no PDB 4KEJ . "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant R169q" . . . . . 94.98 217 99.52 100.00 3.56e-151 . . . . 19425 1 9 no PDB 4KEK . "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant R176q" . . . . . 94.98 217 99.52 100.00 3.56e-151 . . . . 19425 1 10 no PDB 4L4H . "Crystal Structure Of Mouse Ryanodine Receptor Isoform 2 (ryr2) 1-547" . . . . . 98.17 547 100.00 100.00 2.60e-152 . . . . 19425 1 11 no PDB 4L4I . "Crystal Structure Of Mouse Ryanodine Receptor Isoform 2 (ryr2) 1-547 Disease Mutant R420q" . . . . . 98.17 547 100.00 100.00 2.97e-152 . . . . 19425 1 12 no EMBL CAA66975 . "ryanodine receptor 2 [Homo sapiens]" . . . . . 98.17 4967 99.07 99.07 6.27e-139 . . . . 19425 1 13 no EMBL CAC18855 . "ryanodine receptor 2 [Homo sapiens]" . . . . . 98.17 4967 99.07 99.07 6.27e-139 . . . . 19425 1 14 no GB AAA31179 . "Ca2+ release channel [Oryctolagus cuniculus]" . . . . . 98.17 4969 98.60 98.60 5.16e-138 . . . . 19425 1 15 no GB AAA93465 . "cardiac ryanodine receptor [Oryctolagus cuniculus]" . . . . . 98.17 4968 99.07 99.07 7.68e-139 . . . . 19425 1 16 no GB AAG34081 . "cardiac Ca2+ release channel [Mus musculus]" . . . . . 98.17 4967 100.00 100.00 6.13e-141 . . . . 19425 1 17 no GB AAI67757 . "Ryr2 protein [Rattus norvegicus]" . . . . . 98.17 915 99.07 99.07 2.07e-143 . . . . 19425 1 18 no GB AAI72794 . "cardiac muscle ryanodine receptor [synthetic construct]" . . . . . 98.17 2519 99.07 99.07 1.25e-138 . . . . 19425 1 19 no PRF 1617118A . "ryanodine receptor" . . . . . 98.17 4976 99.07 99.07 7.69e-139 . . . . 19425 1 20 no REF NP_001026 . "ryanodine receptor 2 [Homo sapiens]" . . . . . 98.17 4967 99.07 99.07 6.65e-139 . . . . 19425 1 21 no REF NP_001076226 . "ryanodine receptor 2 [Oryctolagus cuniculus]" . . . . . 98.17 4968 99.07 99.07 7.68e-139 . . . . 19425 1 22 no REF NP_076357 . "ryanodine receptor 2 [Mus musculus]" . . . . . 98.17 4966 100.00 100.00 5.73e-141 . . . . 19425 1 23 no REF XP_002808310 . "PREDICTED: LOW QUALITY PROTEIN: ryanodine receptor 2-like [Macaca mulatta]" . . . . . 94.98 4985 99.04 99.04 6.13e-134 . . . . 19425 1 24 no REF XP_002923703 . "PREDICTED: ryanodine receptor 2 [Ailuropoda melanoleuca]" . . . . . 77.17 4932 98.22 98.82 2.60e-105 . . . . 19425 1 25 no SP E9Q401 . "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; AltName: Full=Cardiac muscle ryanodine receptor; AltName: Full=Car" . . . . . 98.17 4966 100.00 100.00 5.73e-141 . . . . 19425 1 26 no SP P30957 . "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; AltName: Full=Cardiac muscle ryanodine receptor; AltName: Full=Car" . . . . . 98.17 4969 98.60 98.60 5.16e-138 . . . . 19425 1 27 no SP Q92736 . "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; Short=hRYR-2; AltName: Full=Cardiac muscle ryanodine receptor; Alt" . . . . . 98.17 4967 99.07 99.07 6.65e-139 . . . . 19425 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 6 GLY . 19425 1 2 7 SER . 19425 1 3 8 GLY . 19425 1 4 9 SER . 19425 1 5 10 GLU . 19425 1 6 11 ILE . 19425 1 7 12 GLN . 19425 1 8 13 PHE . 19425 1 9 14 LEU . 19425 1 10 15 ARG . 19425 1 11 16 THR . 19425 1 12 17 ASP . 19425 1 13 18 ASP . 19425 1 14 19 GLU . 19425 1 15 20 VAL . 19425 1 16 21 VAL . 19425 1 17 22 LEU . 19425 1 18 23 GLN . 19425 1 19 24 CYS . 19425 1 20 25 THR . 19425 1 21 26 ALA . 19425 1 22 27 THR . 19425 1 23 28 ILE . 19425 1 24 29 HIS . 19425 1 25 30 LYS . 19425 1 26 31 GLU . 19425 1 27 32 GLN . 19425 1 28 33 GLN . 19425 1 29 34 LYS . 19425 1 30 35 LEU . 19425 1 31 36 CYS . 19425 1 32 37 LEU . 19425 1 33 38 ALA . 19425 1 34 39 ALA . 19425 1 35 40 GLU . 19425 1 36 41 GLY . 19425 1 37 42 PHE . 19425 1 38 43 GLY . 19425 1 39 44 ASN . 19425 1 40 45 ARG . 19425 1 41 46 LEU . 19425 1 42 47 CYS . 19425 1 43 48 PHE . 19425 1 44 49 LEU . 19425 1 45 50 GLU . 19425 1 46 51 SER . 19425 1 47 52 THR . 19425 1 48 53 SER . 19425 1 49 54 ASN . 19425 1 50 55 SER . 19425 1 51 56 LYS . 19425 1 52 57 ASN . 19425 1 53 58 VAL . 19425 1 54 59 PRO . 19425 1 55 60 PRO . 19425 1 56 61 ASP . 19425 1 57 62 LEU . 19425 1 58 63 SER . 19425 1 59 64 ILE . 19425 1 60 65 CYS . 19425 1 61 66 THR . 19425 1 62 67 PHE . 19425 1 63 68 VAL . 19425 1 64 69 LEU . 19425 1 65 70 GLU . 19425 1 66 71 GLN . 19425 1 67 72 SER . 19425 1 68 73 LEU . 19425 1 69 74 SER . 19425 1 70 75 VAL . 19425 1 71 76 ARG . 19425 1 72 77 ALA . 19425 1 73 78 LEU . 19425 1 74 79 GLN . 19425 1 75 80 GLU . 19425 1 76 81 MET . 19425 1 77 82 LEU . 19425 1 78 83 ALA . 19425 1 79 84 ASN . 19425 1 80 85 THR . 19425 1 81 86 VAL . 19425 1 82 87 GLU . 19425 1 83 88 LYS . 19425 1 84 89 SER . 19425 1 85 90 GLU . 19425 1 86 91 GLY . 19425 1 87 92 GLN . 19425 1 88 93 VAL . 19425 1 89 94 ASP . 19425 1 90 95 VAL . 19425 1 91 96 GLU . 19425 1 92 97 LYS . 19425 1 93 98 TRP . 19425 1 94 99 LYS . 19425 1 95 100 PHE . 19425 1 96 101 MET . 19425 1 97 102 MET . 19425 1 98 103 LYS . 19425 1 99 104 THR . 19425 1 100 105 ALA . 19425 1 101 106 GLN . 19425 1 102 107 GLY . 19425 1 103 108 GLY . 19425 1 104 109 GLY . 19425 1 105 110 HIS . 19425 1 106 111 ARG . 19425 1 107 112 THR . 19425 1 108 113 LEU . 19425 1 109 114 LEU . 19425 1 110 115 TYR . 19425 1 111 116 GLY . 19425 1 112 117 HIS . 19425 1 113 118 ALA . 19425 1 114 119 ILE . 19425 1 115 120 LEU . 19425 1 116 121 LEU . 19425 1 117 122 ARG . 19425 1 118 123 HIS . 19425 1 119 124 SER . 19425 1 120 125 TYR . 19425 1 121 126 SER . 19425 1 122 127 GLY . 19425 1 123 128 MET . 19425 1 124 129 TYR . 19425 1 125 130 LEU . 19425 1 126 131 CYS . 19425 1 127 132 CYS . 19425 1 128 133 LEU . 19425 1 129 134 SER . 19425 1 130 135 THR . 19425 1 131 136 SER . 19425 1 132 137 ARG . 19425 1 133 138 SER . 19425 1 134 139 SER . 19425 1 135 140 THR . 19425 1 136 141 ASP . 19425 1 137 142 LYS . 19425 1 138 143 LEU . 19425 1 139 144 ALA . 19425 1 140 145 PHE . 19425 1 141 146 ASP . 19425 1 142 147 VAL . 19425 1 143 148 GLY . 19425 1 144 149 LEU . 19425 1 145 150 GLN . 19425 1 146 151 GLU . 19425 1 147 152 ASP . 19425 1 148 153 THR . 19425 1 149 154 THR . 19425 1 150 155 GLY . 19425 1 151 156 GLU . 19425 1 152 157 ALA . 19425 1 153 158 CYS . 19425 1 154 159 TRP . 19425 1 155 160 TRP . 19425 1 156 161 THR . 19425 1 157 162 ILE . 19425 1 158 163 HIS . 19425 1 159 164 PRO . 19425 1 160 165 ALA . 19425 1 161 166 SER . 19425 1 162 167 LYS . 19425 1 163 168 GLN . 19425 1 164 169 ARG . 19425 1 165 170 SER . 19425 1 166 171 GLU . 19425 1 167 172 GLY . 19425 1 168 173 GLU . 19425 1 169 174 LYS . 19425 1 170 175 VAL . 19425 1 171 176 ARG . 19425 1 172 177 VAL . 19425 1 173 178 GLY . 19425 1 174 179 ASP . 19425 1 175 180 ASP . 19425 1 176 181 LEU . 19425 1 177 182 ILE . 19425 1 178 183 LEU . 19425 1 179 184 VAL . 19425 1 180 185 SER . 19425 1 181 186 VAL . 19425 1 182 187 SER . 19425 1 183 188 SER . 19425 1 184 189 GLU . 19425 1 185 190 ARG . 19425 1 186 191 TYR . 19425 1 187 192 LEU . 19425 1 188 193 HIS . 19425 1 189 194 LEU . 19425 1 190 195 SER . 19425 1 191 196 TYR . 19425 1 192 197 GLY . 19425 1 193 198 ASN . 19425 1 194 199 SER . 19425 1 195 200 SER . 19425 1 196 201 TRP . 19425 1 197 202 HIS . 19425 1 198 203 VAL . 19425 1 199 204 ASP . 19425 1 200 205 ALA . 19425 1 201 206 ALA . 19425 1 202 207 PHE . 19425 1 203 208 GLN . 19425 1 204 209 GLN . 19425 1 205 210 THR . 19425 1 206 211 LEU . 19425 1 207 212 TRP . 19425 1 208 213 SER . 19425 1 209 214 VAL . 19425 1 210 215 ALA . 19425 1 211 216 PRO . 19425 1 212 217 ILE . 19425 1 213 218 SER . 19425 1 214 219 SER . 19425 1 215 220 GLY . 19425 1 216 221 SER . 19425 1 217 222 GLU . 19425 1 218 223 ALA . 19425 1 219 224 ALA . 19425 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19425 1 . SER 2 2 19425 1 . GLY 3 3 19425 1 . SER 4 4 19425 1 . GLU 5 5 19425 1 . ILE 6 6 19425 1 . GLN 7 7 19425 1 . PHE 8 8 19425 1 . LEU 9 9 19425 1 . ARG 10 10 19425 1 . THR 11 11 19425 1 . ASP 12 12 19425 1 . ASP 13 13 19425 1 . GLU 14 14 19425 1 . VAL 15 15 19425 1 . VAL 16 16 19425 1 . LEU 17 17 19425 1 . GLN 18 18 19425 1 . CYS 19 19 19425 1 . THR 20 20 19425 1 . ALA 21 21 19425 1 . THR 22 22 19425 1 . ILE 23 23 19425 1 . HIS 24 24 19425 1 . LYS 25 25 19425 1 . GLU 26 26 19425 1 . GLN 27 27 19425 1 . GLN 28 28 19425 1 . LYS 29 29 19425 1 . LEU 30 30 19425 1 . CYS 31 31 19425 1 . LEU 32 32 19425 1 . ALA 33 33 19425 1 . ALA 34 34 19425 1 . GLU 35 35 19425 1 . GLY 36 36 19425 1 . PHE 37 37 19425 1 . GLY 38 38 19425 1 . ASN 39 39 19425 1 . ARG 40 40 19425 1 . LEU 41 41 19425 1 . CYS 42 42 19425 1 . PHE 43 43 19425 1 . LEU 44 44 19425 1 . GLU 45 45 19425 1 . SER 46 46 19425 1 . THR 47 47 19425 1 . SER 48 48 19425 1 . ASN 49 49 19425 1 . SER 50 50 19425 1 . LYS 51 51 19425 1 . ASN 52 52 19425 1 . VAL 53 53 19425 1 . PRO 54 54 19425 1 . PRO 55 55 19425 1 . ASP 56 56 19425 1 . LEU 57 57 19425 1 . SER 58 58 19425 1 . ILE 59 59 19425 1 . CYS 60 60 19425 1 . THR 61 61 19425 1 . PHE 62 62 19425 1 . VAL 63 63 19425 1 . LEU 64 64 19425 1 . GLU 65 65 19425 1 . GLN 66 66 19425 1 . SER 67 67 19425 1 . LEU 68 68 19425 1 . SER 69 69 19425 1 . VAL 70 70 19425 1 . ARG 71 71 19425 1 . ALA 72 72 19425 1 . LEU 73 73 19425 1 . GLN 74 74 19425 1 . GLU 75 75 19425 1 . MET 76 76 19425 1 . LEU 77 77 19425 1 . ALA 78 78 19425 1 . ASN 79 79 19425 1 . THR 80 80 19425 1 . VAL 81 81 19425 1 . GLU 82 82 19425 1 . LYS 83 83 19425 1 . SER 84 84 19425 1 . GLU 85 85 19425 1 . GLY 86 86 19425 1 . GLN 87 87 19425 1 . VAL 88 88 19425 1 . ASP 89 89 19425 1 . VAL 90 90 19425 1 . GLU 91 91 19425 1 . LYS 92 92 19425 1 . TRP 93 93 19425 1 . LYS 94 94 19425 1 . PHE 95 95 19425 1 . MET 96 96 19425 1 . MET 97 97 19425 1 . LYS 98 98 19425 1 . THR 99 99 19425 1 . ALA 100 100 19425 1 . GLN 101 101 19425 1 . GLY 102 102 19425 1 . GLY 103 103 19425 1 . GLY 104 104 19425 1 . HIS 105 105 19425 1 . ARG 106 106 19425 1 . THR 107 107 19425 1 . LEU 108 108 19425 1 . LEU 109 109 19425 1 . TYR 110 110 19425 1 . GLY 111 111 19425 1 . HIS 112 112 19425 1 . ALA 113 113 19425 1 . ILE 114 114 19425 1 . LEU 115 115 19425 1 . LEU 116 116 19425 1 . ARG 117 117 19425 1 . HIS 118 118 19425 1 . SER 119 119 19425 1 . TYR 120 120 19425 1 . SER 121 121 19425 1 . GLY 122 122 19425 1 . MET 123 123 19425 1 . TYR 124 124 19425 1 . LEU 125 125 19425 1 . CYS 126 126 19425 1 . CYS 127 127 19425 1 . LEU 128 128 19425 1 . SER 129 129 19425 1 . THR 130 130 19425 1 . SER 131 131 19425 1 . ARG 132 132 19425 1 . SER 133 133 19425 1 . SER 134 134 19425 1 . THR 135 135 19425 1 . ASP 136 136 19425 1 . LYS 137 137 19425 1 . LEU 138 138 19425 1 . ALA 139 139 19425 1 . PHE 140 140 19425 1 . ASP 141 141 19425 1 . VAL 142 142 19425 1 . GLY 143 143 19425 1 . LEU 144 144 19425 1 . GLN 145 145 19425 1 . GLU 146 146 19425 1 . ASP 147 147 19425 1 . THR 148 148 19425 1 . THR 149 149 19425 1 . GLY 150 150 19425 1 . GLU 151 151 19425 1 . ALA 152 152 19425 1 . CYS 153 153 19425 1 . TRP 154 154 19425 1 . TRP 155 155 19425 1 . THR 156 156 19425 1 . ILE 157 157 19425 1 . HIS 158 158 19425 1 . PRO 159 159 19425 1 . ALA 160 160 19425 1 . SER 161 161 19425 1 . LYS 162 162 19425 1 . GLN 163 163 19425 1 . ARG 164 164 19425 1 . SER 165 165 19425 1 . GLU 166 166 19425 1 . GLY 167 167 19425 1 . GLU 168 168 19425 1 . LYS 169 169 19425 1 . VAL 170 170 19425 1 . ARG 171 171 19425 1 . VAL 172 172 19425 1 . GLY 173 173 19425 1 . ASP 174 174 19425 1 . ASP 175 175 19425 1 . LEU 176 176 19425 1 . ILE 177 177 19425 1 . LEU 178 178 19425 1 . VAL 179 179 19425 1 . SER 180 180 19425 1 . VAL 181 181 19425 1 . SER 182 182 19425 1 . SER 183 183 19425 1 . GLU 184 184 19425 1 . ARG 185 185 19425 1 . TYR 186 186 19425 1 . LEU 187 187 19425 1 . HIS 188 188 19425 1 . LEU 189 189 19425 1 . SER 190 190 19425 1 . TYR 191 191 19425 1 . GLY 192 192 19425 1 . ASN 193 193 19425 1 . SER 194 194 19425 1 . SER 195 195 19425 1 . TRP 196 196 19425 1 . HIS 197 197 19425 1 . VAL 198 198 19425 1 . ASP 199 199 19425 1 . ALA 200 200 19425 1 . ALA 201 201 19425 1 . PHE 202 202 19425 1 . GLN 203 203 19425 1 . GLN 204 204 19425 1 . THR 205 205 19425 1 . LEU 206 206 19425 1 . TRP 207 207 19425 1 . SER 208 208 19425 1 . VAL 209 209 19425 1 . ALA 210 210 19425 1 . PRO 211 211 19425 1 . ILE 212 212 19425 1 . SER 213 213 19425 1 . SER 214 214 19425 1 . GLY 215 215 19425 1 . SER 216 216 19425 1 . GLU 217 217 19425 1 . ALA 218 218 19425 1 . ALA 219 219 19425 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19425 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19425 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 19425 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32a . . . . . . 19425 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19425 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'wild-type RyR2A 10-224' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N; U-2H]' . . 1 $entity . . 0.4 . . mM . . . . 19425 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19425 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19425 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19425 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19425 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19425 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19425 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19425 _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 'ionic strength' 0.328 . M 19425 1 pH 7 . pH 19425 1 pressure 1 . atm 19425 1 temperature 288 . K 19425 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19425 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19425 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19425 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19425 2 'peak picking' 19425 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19425 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19425 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19425 3 'data analysis' 19425 3 'geometry optimization' 19425 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19425 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19425 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19425 4 'structure solution' 19425 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19425 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19425 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 19425 _Experiment_list.ID 1 _Experiment_list.Details 'TROSY pulse sequences were employed.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19425 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19425 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19425 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19425 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19425 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19425 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19425 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 ; Reference offsets: CO: -0.09ppm CA: -0.39ppm CB: 0.44ppm N: -0.21ppm Number of of Deviant Assignments: 0 Num of Suspicious Assignments after ref-calibration when necessary: 1 189 LEU C: 170.18 ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19425 1 2 '3D CBCA(CO)NH' 1 $sample_1 . 19425 1 3 '3D HNCACB' 1 $sample_1 . 19425 1 4 '3D HNCO' 1 $sample_1 . 19425 1 5 '3D HNCA' 1 $sample_1 . 19425 1 6 '3D HN(CO)CA' 1 $sample_1 . 19425 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 6 6 ILE H H 1 8.077 0.04 . 1 . . . . 11 ILE H . 19425 1 2 . 1 1 6 6 ILE C C 13 176.317 0.40 . 1 . . . . 11 ILE C . 19425 1 3 . 1 1 6 6 ILE CA C 13 61.496 0.40 . 1 . . . . 11 ILE CA . 19425 1 4 . 1 1 6 6 ILE CB C 13 37.763 0.40 . 1 . . . . 11 ILE CB . 19425 1 5 . 1 1 6 6 ILE N N 15 123.119 0.40 . 1 . . . . 11 ILE N . 19425 1 6 . 1 1 7 7 GLN H H 1 8.194 0.04 . 1 . . . A 12 GLN H . 19425 1 7 . 1 1 7 7 GLN C C 13 175.259 0.40 . 1 . . . A 12 GLN C . 19425 1 8 . 1 1 7 7 GLN CA C 13 54.898 0.40 . 1 . . . A 12 GLN CA . 19425 1 9 . 1 1 7 7 GLN CB C 13 30.151 0.40 . 1 . . . A 12 GLN CB . 19425 1 10 . 1 1 7 7 GLN N N 15 124.944 0.40 . 1 . . . A 12 GLN N . 19425 1 11 . 1 1 8 8 PHE H H 1 8.209 0.04 . 1 . . . A 13 PHE H . 19425 1 12 . 1 1 8 8 PHE C C 13 174.608 0.40 . 1 . . . A 13 PHE C . 19425 1 13 . 1 1 8 8 PHE CA C 13 56.445 0.40 . 1 . . . A 13 PHE CA . 19425 1 14 . 1 1 8 8 PHE CB C 13 41.65 0.40 . 1 . . . A 13 PHE CB . 19425 1 15 . 1 1 8 8 PHE N N 15 122.001 0.40 . 1 . . . A 13 PHE N . 19425 1 16 . 1 1 9 9 LEU H H 1 8.264 0.04 . 1 . . . A 14 LEU H . 19425 1 17 . 1 1 9 9 LEU C C 13 175.63 0.40 . 1 . . . A 14 LEU C . 19425 1 18 . 1 1 9 9 LEU CA C 13 55.024 0.40 . 1 . . . A 14 LEU CA . 19425 1 19 . 1 1 9 9 LEU CB C 13 43.987 0.40 . 1 . . . A 14 LEU CB . 19425 1 20 . 1 1 9 9 LEU N N 15 122.475 0.40 . 1 . . . A 14 LEU N . 19425 1 21 . 1 1 10 10 ARG H H 1 8.653 0.04 . 1 . . . A 15 ARG H . 19425 1 22 . 1 1 10 10 ARG C C 13 175.63 0.40 . 1 . . . A 15 ARG C . 19425 1 23 . 1 1 10 10 ARG CA C 13 54.007 0.40 . 1 . . . A 15 ARG CA . 19425 1 24 . 1 1 10 10 ARG CB C 13 34.536 0.40 . 1 . . . A 15 ARG CB . 19425 1 25 . 1 1 10 10 ARG N N 15 121.51 0.40 . 1 . . . A 15 ARG N . 19425 1 26 . 1 1 11 11 THR H H 1 8.815 0.04 . 1 . . . A 16 THR H . 19425 1 27 . 1 1 11 11 THR C C 13 175.946 0.40 . 1 . . . A 16 THR C . 19425 1 28 . 1 1 11 11 THR CA C 13 62.95 0.40 . 1 . . . A 16 THR CA . 19425 1 29 . 1 1 11 11 THR CB C 13 69.276 0.40 . 1 . . . A 16 THR CB . 19425 1 30 . 1 1 11 11 THR N N 15 110.84 0.40 . 1 . . . A 16 THR N . 19425 1 31 . 1 1 12 12 ASP H H 1 9.241 0.04 . 1 . . . A 17 ASP H . 19425 1 32 . 1 1 12 12 ASP C C 13 175.686 0.40 . 1 . . . A 17 ASP C . 19425 1 33 . 1 1 12 12 ASP CA C 13 57.735 0.40 . 1 . . . A 17 ASP CA . 19425 1 34 . 1 1 12 12 ASP CB C 13 39.928 0.40 . 1 . . . A 17 ASP CB . 19425 1 35 . 1 1 12 12 ASP N N 15 114.036 0.40 . 1 . . . A 17 ASP N . 19425 1 36 . 1 1 13 13 ASP H H 1 8.035 0.04 . 1 . . . A 18 ASP H . 19425 1 37 . 1 1 13 13 ASP C C 13 175.946 0.40 . 1 . . . A 18 ASP C . 19425 1 38 . 1 1 13 13 ASP CA C 13 56.214 0.40 . 1 . . . A 18 ASP CA . 19425 1 39 . 1 1 13 13 ASP CB C 13 40.985 0.40 . 1 . . . A 18 ASP CB . 19425 1 40 . 1 1 13 13 ASP N N 15 122.062 0.40 . 1 . . . A 18 ASP N . 19425 1 41 . 1 1 14 14 GLU H H 1 8.274 0.04 . 1 . . . A 19 GLU H . 19425 1 42 . 1 1 14 14 GLU C C 13 175.055 0.40 . 1 . . . A 19 GLU C . 19425 1 43 . 1 1 14 14 GLU CA C 13 55.262 0.40 . 1 . . . A 19 GLU CA . 19425 1 44 . 1 1 14 14 GLU CB C 13 30.712 0.40 . 1 . . . A 19 GLU CB . 19425 1 45 . 1 1 14 14 GLU N N 15 122.006 0.40 . 1 . . . A 19 GLU N . 19425 1 46 . 1 1 15 15 VAL H H 1 9.779 0.04 . 1 . . . A 20 VAL H . 19425 1 47 . 1 1 15 15 VAL C C 13 176.855 0.40 . 1 . . . A 20 VAL C . 19425 1 48 . 1 1 15 15 VAL CA C 13 59.054 0.40 . 1 . . . A 20 VAL CA . 19425 1 49 . 1 1 15 15 VAL CB C 13 36.78 0.40 . 1 . . . A 20 VAL CB . 19425 1 50 . 1 1 15 15 VAL N N 15 118.214 0.40 . 1 . . . A 20 VAL N . 19425 1 51 . 1 1 16 16 VAL H H 1 8.167 0.04 . 1 . . . A 21 VAL H . 19425 1 52 . 1 1 16 16 VAL C C 13 173.83 0.40 . 1 . . . A 21 VAL C . 19425 1 53 . 1 1 16 16 VAL CA C 13 60.308 0.40 . 1 . . . A 21 VAL CA . 19425 1 54 . 1 1 16 16 VAL CB C 13 34.625 0.40 . 1 . . . A 21 VAL CB . 19425 1 55 . 1 1 16 16 VAL N N 15 115.443 0.40 . 1 . . . A 21 VAL N . 19425 1 56 . 1 1 17 17 LEU H H 1 10.103 0.04 . 1 . . . A 22 LEU H . 19425 1 57 . 1 1 17 17 LEU C C 13 174.858 0.40 . 1 . . . A 22 LEU C . 19425 1 58 . 1 1 17 17 LEU CA C 13 55.656 0.40 . 1 . . . A 22 LEU CA . 19425 1 59 . 1 1 17 17 LEU CB C 13 42.545 0.40 . 1 . . . A 22 LEU CB . 19425 1 60 . 1 1 17 17 LEU N N 15 128.072 0.40 . 1 . . . A 22 LEU N . 19425 1 61 . 1 1 18 18 GLN H H 1 9.119 0.04 . 1 . . . A 23 GLN H . 19425 1 62 . 1 1 18 18 GLN C C 13 175.5 0.40 . 1 . . . A 23 GLN C . 19425 1 63 . 1 1 18 18 GLN CA C 13 53.71 0.40 . 1 . . . A 23 GLN CA . 19425 1 64 . 1 1 18 18 GLN CB C 13 33.697 0.40 . 1 . . . A 23 GLN CB . 19425 1 65 . 1 1 18 18 GLN N N 15 120.609 0.40 . 1 . . . A 23 GLN N . 19425 1 66 . 1 1 19 19 CYS H H 1 8.993 0.04 . 1 . . . A 24 CYS H . 19425 1 67 . 1 1 19 19 CYS C C 13 174.443 0.40 . 1 . . . A 24 CYS C . 19425 1 68 . 1 1 19 19 CYS CA C 13 55.261 0.40 . 1 . . . A 24 CYS CA . 19425 1 69 . 1 1 19 19 CYS CB C 13 30.302 0.40 . 1 . . . A 24 CYS CB . 19425 1 70 . 1 1 19 19 CYS N N 15 118.659 0.40 . 1 . . . A 24 CYS N . 19425 1 71 . 1 1 20 20 THR H H 1 8.48 0.04 . 1 . . . A 25 THR H . 19425 1 72 . 1 1 20 20 THR C C 13 172.457 0.40 . 1 . . . A 25 THR C . 19425 1 73 . 1 1 20 20 THR CA C 13 61.858 0.40 . 1 . . . A 25 THR CA . 19425 1 74 . 1 1 20 20 THR CB C 13 70.271 0.40 . 1 . . . A 25 THR CB . 19425 1 75 . 1 1 20 20 THR N N 15 116.266 0.40 . 1 . . . A 25 THR N . 19425 1 76 . 1 1 21 21 ALA H H 1 8.59 0.04 . 1 . . . A 26 ALA H . 19425 1 77 . 1 1 21 21 ALA C C 13 172.717 0.40 . 1 . . . A 26 ALA C . 19425 1 78 . 1 1 21 21 ALA CA C 13 50.642 0.40 . 1 . . . A 26 ALA CA . 19425 1 79 . 1 1 21 21 ALA CB C 13 21.315 0.40 . 1 . . . A 26 ALA CB . 19425 1 80 . 1 1 21 21 ALA N N 15 129.739 0.40 . 1 . . . A 26 ALA N . 19425 1 81 . 1 1 22 22 THR H H 1 8.11 0.04 . 1 . . . A 27 THR H . 19425 1 82 . 1 1 22 22 THR C C 13 173.181 0.40 . 1 . . . A 27 THR C . 19425 1 83 . 1 1 22 22 THR CA C 13 61.919 0.40 . 1 . . . A 27 THR CA . 19425 1 84 . 1 1 22 22 THR CB C 13 69.696 0.40 . 1 . . . A 27 THR CB . 19425 1 85 . 1 1 22 22 THR N N 15 116.574 0.40 . 1 . . . A 27 THR N . 19425 1 86 . 1 1 23 23 ILE H H 1 8.483 0.04 . 1 . . . A 28 ILE H . 19425 1 87 . 1 1 23 23 ILE C C 13 173.793 0.40 . 1 . . . A 28 ILE C . 19425 1 88 . 1 1 23 23 ILE CA C 13 60.407 0.40 . 1 . . . A 28 ILE CA . 19425 1 89 . 1 1 23 23 ILE CB C 13 39.536 0.40 . 1 . . . A 28 ILE CB . 19425 1 90 . 1 1 23 23 ILE N N 15 126.342 0.40 . 1 . . . A 28 ILE N . 19425 1 91 . 1 1 24 24 HIS H H 1 9.11 0.04 . 1 . . . A 29 HIS H . 19425 1 92 . 1 1 24 24 HIS C C 13 175.259 0.40 . 1 . . . A 29 HIS C . 19425 1 93 . 1 1 24 24 HIS CA C 13 57.174 0.40 . 1 . . . A 29 HIS CA . 19425 1 94 . 1 1 24 24 HIS CB C 13 28.029 0.40 . 1 . . . A 29 HIS CB . 19425 1 95 . 1 1 24 24 HIS N N 15 126.364 0.40 . 1 . . . A 29 HIS N . 19425 1 96 . 1 1 26 26 GLU H H 1 8.047 0.04 . 1 . . . A 31 GLU H . 19425 1 97 . 1 1 26 26 GLU C C 13 175.575 0.40 . 1 . . . A 31 GLU C . 19425 1 98 . 1 1 26 26 GLU CA C 13 55.394 0.40 . 1 . . . A 31 GLU CA . 19425 1 99 . 1 1 26 26 GLU CB C 13 31.576 0.40 . 1 . . . A 31 GLU CB . 19425 1 100 . 1 1 26 26 GLU N N 15 120.962 0.40 . 1 . . . A 31 GLU N . 19425 1 101 . 1 1 27 27 GLN H H 1 8.646 0.04 . 1 . . . A 32 GLN H . 19425 1 102 . 1 1 27 27 GLN C C 13 175.185 0.40 . 1 . . . A 32 GLN C . 19425 1 103 . 1 1 27 27 GLN CA C 13 54.496 0.40 . 1 . . . A 32 GLN CA . 19425 1 104 . 1 1 27 27 GLN CB C 13 30.054 0.40 . 1 . . . A 32 GLN CB . 19425 1 105 . 1 1 27 27 GLN N N 15 123.171 0.40 . 1 . . . A 32 GLN N . 19425 1 106 . 1 1 28 28 GLN H H 1 8.839 0.04 . 1 . . . A 33 GLN H . 19425 1 107 . 1 1 28 28 GLN C C 13 175.667 0.40 . 1 . . . A 33 GLN C . 19425 1 108 . 1 1 28 28 GLN CA C 13 54.616 0.40 . 1 . . . A 33 GLN CA . 19425 1 109 . 1 1 28 28 GLN CB C 13 31.748 0.40 . 1 . . . A 33 GLN CB . 19425 1 110 . 1 1 28 28 GLN N N 15 123.53 0.40 . 1 . . . A 33 GLN N . 19425 1 111 . 1 1 29 29 LYS H H 1 8.589 0.04 . 1 . . . A 34 LYS H . 19425 1 112 . 1 1 29 29 LYS C C 13 173.812 0.40 . 1 . . . A 34 LYS C . 19425 1 113 . 1 1 29 29 LYS CA C 13 55.755 0.40 . 1 . . . A 34 LYS CA . 19425 1 114 . 1 1 29 29 LYS CB C 13 32.712 0.40 . 1 . . . A 34 LYS CB . 19425 1 115 . 1 1 29 29 LYS N N 15 124.601 0.40 . 1 . . . A 34 LYS N . 19425 1 116 . 1 1 30 30 LEU H H 1 8.794 0.04 . 1 . . . A 35 LEU H . 19425 1 117 . 1 1 30 30 LEU C C 13 175.445 0.40 . 1 . . . A 35 LEU C . 19425 1 118 . 1 1 30 30 LEU CA C 13 53.347 0.40 . 1 . . . A 35 LEU CA . 19425 1 119 . 1 1 30 30 LEU CB C 13 44.943 0.40 . 1 . . . A 35 LEU CB . 19425 1 120 . 1 1 30 30 LEU N N 15 126.071 0.40 . 1 . . . A 35 LEU N . 19425 1 121 . 1 1 31 31 CYS H H 1 9.042 0.04 . 1 . . . A 36 CYS H . 19425 1 122 . 1 1 31 31 CYS C C 13 176.057 0.40 . 1 . . . A 36 CYS C . 19425 1 123 . 1 1 31 31 CYS CA C 13 57.174 0.40 . 1 . . . A 36 CYS CA . 19425 1 124 . 1 1 31 31 CYS CB C 13 30.306 0.40 . 1 . . . A 36 CYS CB . 19425 1 125 . 1 1 31 31 CYS N N 15 118.373 0.40 . 1 . . . A 36 CYS N . 19425 1 126 . 1 1 32 32 LEU H H 1 8.811 0.04 . 1 . . . A 37 LEU H . 19425 1 127 . 1 1 32 32 LEU C C 13 174.09 0.40 . 1 . . . A 37 LEU C . 19425 1 128 . 1 1 32 32 LEU CA C 13 56.349 0.40 . 1 . . . A 37 LEU CA . 19425 1 129 . 1 1 32 32 LEU CB C 13 42.689 0.40 . 1 . . . A 37 LEU CB . 19425 1 130 . 1 1 32 32 LEU N N 15 129.256 0.40 . 1 . . . A 37 LEU N . 19425 1 131 . 1 1 33 33 ALA H H 1 8.879 0.04 . 1 . . . A 38 ALA H . 19425 1 132 . 1 1 33 33 ALA C C 13 174.517 0.40 . 1 . . . A 38 ALA C . 19425 1 133 . 1 1 33 33 ALA CA C 13 50.609 0.40 . 1 . . . A 38 ALA CA . 19425 1 134 . 1 1 33 33 ALA CB C 13 24.141 0.40 . 1 . . . A 38 ALA CB . 19425 1 135 . 1 1 33 33 ALA N N 15 127.229 0.40 . 1 . . . A 38 ALA N . 19425 1 136 . 1 1 34 34 ALA H H 1 6.837 0.04 . 1 . . . A 39 ALA H . 19425 1 137 . 1 1 34 34 ALA C C 13 174.665 0.40 . 1 . . . A 39 ALA C . 19425 1 138 . 1 1 34 34 ALA CA C 13 51.5 0.40 . 1 . . . A 39 ALA CA . 19425 1 139 . 1 1 34 34 ALA CB C 13 20.996 0.40 . 1 . . . A 39 ALA CB . 19425 1 140 . 1 1 34 34 ALA N N 15 117.076 0.40 . 1 . . . A 39 ALA N . 19425 1 141 . 1 1 35 35 GLU H H 1 8.413 0.04 . 1 . . . A 40 GLU H . 19425 1 142 . 1 1 35 35 GLU C C 13 176.205 0.40 . 1 . . . A 40 GLU C . 19425 1 143 . 1 1 35 35 GLU CA C 13 55.95 0.40 . 1 . . . A 40 GLU CA . 19425 1 144 . 1 1 35 35 GLU CB C 13 31.836 0.40 . 1 . . . A 40 GLU CB . 19425 1 145 . 1 1 35 35 GLU N N 15 119.966 0.40 . 1 . . . A 40 GLU N . 19425 1 146 . 1 1 36 36 GLY H H 1 8.463 0.04 . 1 . . . A 41 GLY H . 19425 1 147 . 1 1 36 36 GLY C C 13 176.892 0.40 . 1 . . . A 41 GLY C . 19425 1 148 . 1 1 36 36 GLY CA C 13 45.628 0.40 . 1 . . . A 41 GLY CA . 19425 1 149 . 1 1 36 36 GLY N N 15 108.646 0.40 . 1 . . . A 41 GLY N . 19425 1 150 . 1 1 38 38 GLY H H 1 8.51 0.04 . 1 . . . A 43 GLY H . 19425 1 151 . 1 1 38 38 GLY C C 13 176.465 0.40 . 1 . . . A 43 GLY C . 19425 1 152 . 1 1 38 38 GLY CA C 13 45.397 0.40 . 1 . . . A 43 GLY CA . 19425 1 153 . 1 1 38 38 GLY N N 15 109.557 0.40 . 1 . . . A 43 GLY N . 19425 1 154 . 1 1 39 39 ASN H H 1 8.028 0.04 . 1 . . . A 44 ASN H . 19425 1 155 . 1 1 39 39 ASN C C 13 173.83 0.40 . 1 . . . A 44 ASN C . 19425 1 156 . 1 1 39 39 ASN CA C 13 54.184 0.40 . 1 . . . A 44 ASN CA . 19425 1 157 . 1 1 39 39 ASN CB C 13 38.252 0.40 . 1 . . . A 44 ASN CB . 19425 1 158 . 1 1 39 39 ASN N N 15 116.85 0.40 . 1 . . . A 44 ASN N . 19425 1 159 . 1 1 40 40 ARG H H 1 7.759 0.04 . 1 . . . A 45 ARG H . 19425 1 160 . 1 1 40 40 ARG C C 13 174.072 0.40 . 1 . . . A 45 ARG C . 19425 1 161 . 1 1 40 40 ARG CA C 13 56.077 0.40 . 1 . . . A 45 ARG CA . 19425 1 162 . 1 1 40 40 ARG CB C 13 31.231 0.40 . 1 . . . A 45 ARG CB . 19425 1 163 . 1 1 40 40 ARG N N 15 118.226 0.40 . 1 . . . A 45 ARG N . 19425 1 164 . 1 1 41 41 LEU H H 1 8.695 0.04 . 1 . . . A 46 LEU H . 19425 1 165 . 1 1 41 41 LEU C C 13 176.447 0.40 . 1 . . . A 46 LEU C . 19425 1 166 . 1 1 41 41 LEU CA C 13 54.667 0.40 . 1 . . . A 46 LEU CA . 19425 1 167 . 1 1 41 41 LEU CB C 13 42.605 0.40 . 1 . . . A 46 LEU CB . 19425 1 168 . 1 1 41 41 LEU N N 15 124.643 0.40 . 1 . . . A 46 LEU N . 19425 1 169 . 1 1 42 42 CYS H H 1 9.007 0.04 . 1 . . . A 47 CYS H . 19425 1 170 . 1 1 42 42 CYS C C 13 176.651 0.40 . 1 . . . A 47 CYS C . 19425 1 171 . 1 1 42 42 CYS CA C 13 55.885 0.40 . 1 . . . A 47 CYS CA . 19425 1 172 . 1 1 42 42 CYS CB C 13 31.112 0.40 . 1 . . . A 47 CYS CB . 19425 1 173 . 1 1 42 42 CYS N N 15 119.241 0.40 . 1 . . . A 47 CYS N . 19425 1 174 . 1 1 43 43 PHE H H 1 8.647 0.04 . 1 . . . A 48 PHE H . 19425 1 175 . 1 1 43 43 PHE C C 13 170.342 0.40 . 1 . . . A 48 PHE C . 19425 1 176 . 1 1 43 43 PHE CA C 13 57.405 0.40 . 1 . . . A 48 PHE CA . 19425 1 177 . 1 1 43 43 PHE CB C 13 43.263 0.40 . 1 . . . A 48 PHE CB . 19425 1 178 . 1 1 43 43 PHE N N 15 114.081 0.40 . 1 . . . A 48 PHE N . 19425 1 179 . 1 1 44 44 LEU H H 1 9.108 0.04 . 1 . . . A 49 LEU H . 19425 1 180 . 1 1 44 44 LEU C C 13 176.236 0.40 . 1 . . . A 49 LEU C . 19425 1 181 . 1 1 44 44 LEU CA C 13 53.285 0.40 . 1 . . . A 49 LEU CA . 19425 1 182 . 1 1 44 44 LEU CB C 13 42.907 0.40 . 1 . . . A 49 LEU CB . 19425 1 183 . 1 1 44 44 LEU N N 15 122.287 0.40 . 1 . . . A 49 LEU N . 19425 1 184 . 1 1 45 45 GLU H H 1 8.834 0.04 . 1 . . . A 50 GLU H . 19425 1 185 . 1 1 45 45 GLU C C 13 177.671 0.40 . 1 . . . A 50 GLU C . 19425 1 186 . 1 1 45 45 GLU CA C 13 57.084 0.40 . 1 . . . A 50 GLU CA . 19425 1 187 . 1 1 45 45 GLU CB C 13 30.123 0.40 . 1 . . . A 50 GLU CB . 19425 1 188 . 1 1 45 45 GLU N N 15 123.206 0.40 . 1 . . . A 50 GLU N . 19425 1 189 . 1 1 46 46 SER H H 1 8.461 0.04 . 1 . . . A 51 SER H . 19425 1 190 . 1 1 46 46 SER C C 13 176.706 0.40 . 1 . . . A 51 SER C . 19425 1 191 . 1 1 46 46 SER CA C 13 58.56 0.40 . 1 . . . A 51 SER CA . 19425 1 192 . 1 1 46 46 SER CB C 13 63.979 0.40 . 1 . . . A 51 SER CB . 19425 1 193 . 1 1 46 46 SER N N 15 118.5 0.40 . 1 . . . A 51 SER N . 19425 1 194 . 1 1 47 47 THR H H 1 8.199 0.04 . 1 . . . A 52 THR H . 19425 1 195 . 1 1 47 47 THR C C 13 174.808 0.40 . 1 . . . A 52 THR C . 19425 1 196 . 1 1 47 47 THR CA C 13 61.891 0.40 . 1 . . . A 52 THR CA . 19425 1 197 . 1 1 47 47 THR CB C 13 70.076 0.40 . 1 . . . A 52 THR CB . 19425 1 198 . 1 1 47 47 THR N N 15 116.205 0.40 . 1 . . . A 52 THR N . 19425 1 199 . 1 1 60 60 CYS H H 1 7.539 0.04 . 1 . . . A 65 CYS H . 19425 1 200 . 1 1 60 60 CYS C C 13 176.948 0.40 . 1 . . . A 65 CYS C . 19425 1 201 . 1 1 60 60 CYS CA C 13 57.9 0.40 . 1 . . . A 65 CYS CA . 19425 1 202 . 1 1 60 60 CYS CB C 13 30.29 0.40 . 1 . . . A 65 CYS CB . 19425 1 203 . 1 1 60 60 CYS N N 15 117.553 0.40 . 1 . . . A 65 CYS N . 19425 1 204 . 1 1 61 61 THR H H 1 6.851 0.04 . 1 . . . A 66 THR H . 19425 1 205 . 1 1 61 61 THR C C 13 180.325 0.40 . 1 . . . A 66 THR C . 19425 1 206 . 1 1 61 61 THR CA C 13 63.399 0.40 . 1 . . . A 66 THR CA . 19425 1 207 . 1 1 61 61 THR CB C 13 69.281 0.40 . 1 . . . A 66 THR CB . 19425 1 208 . 1 1 61 61 THR N N 15 113.614 0.40 . 1 . . . A 66 THR N . 19425 1 209 . 1 1 62 62 PHE H H 1 9.603 0.04 . 1 . . . A 67 PHE H . 19425 1 210 . 1 1 62 62 PHE C C 13 174.424 0.40 . 1 . . . A 67 PHE C . 19425 1 211 . 1 1 62 62 PHE CA C 13 56.184 0.40 . 1 . . . A 67 PHE CA . 19425 1 212 . 1 1 62 62 PHE CB C 13 43.291 0.40 . 1 . . . A 67 PHE CB . 19425 1 213 . 1 1 62 62 PHE N N 15 126.248 0.40 . 1 . . . A 67 PHE N . 19425 1 214 . 1 1 63 63 VAL H H 1 9.968 0.04 . 1 . . . A 68 VAL H . 19425 1 215 . 1 1 63 63 VAL C C 13 173.719 0.40 . 1 . . . A 68 VAL C . 19425 1 216 . 1 1 63 63 VAL CA C 13 60.935 0.40 . 1 . . . A 68 VAL CA . 19425 1 217 . 1 1 63 63 VAL CB C 13 34.522 0.40 . 1 . . . A 68 VAL CB . 19425 1 218 . 1 1 63 63 VAL N N 15 121.31 0.40 . 1 . . . A 68 VAL N . 19425 1 219 . 1 1 64 64 LEU H H 1 8.135 0.04 . 1 . . . A 69 LEU H . 19425 1 220 . 1 1 64 64 LEU C C 13 177.152 0.40 . 1 . . . A 69 LEU C . 19425 1 221 . 1 1 64 64 LEU CA C 13 53.083 0.40 . 1 . . . A 69 LEU CA . 19425 1 222 . 1 1 64 64 LEU CB C 13 39.652 0.40 . 1 . . . A 69 LEU CB . 19425 1 223 . 1 1 64 64 LEU N N 15 127.011 0.40 . 1 . . . A 69 LEU N . 19425 1 224 . 1 1 65 65 GLU H H 1 8.654 0.04 . 1 . . . A 70 GLU H . 19425 1 225 . 1 1 65 65 GLU C C 13 174.869 0.40 . 1 . . . A 70 GLU C . 19425 1 226 . 1 1 65 65 GLU CA C 13 59.747 0.40 . 1 . . . A 70 GLU CA . 19425 1 227 . 1 1 65 65 GLU CB C 13 31.291 0.40 . 1 . . . A 70 GLU CB . 19425 1 228 . 1 1 65 65 GLU N N 15 129.683 0.40 . 1 . . . A 70 GLU N . 19425 1 229 . 1 1 66 66 GLN H H 1 7.318 0.04 . 1 . . . A 71 GLN H . 19425 1 230 . 1 1 66 66 GLN C C 13 176.094 0.40 . 1 . . . A 71 GLN C . 19425 1 231 . 1 1 66 66 GLN CA C 13 54.03 0.40 . 1 . . . A 71 GLN CA . 19425 1 232 . 1 1 66 66 GLN CB C 13 33.112 0.40 . 1 . . . A 71 GLN CB . 19425 1 233 . 1 1 66 66 GLN N N 15 110.287 0.40 . 1 . . . A 71 GLN N . 19425 1 234 . 1 1 67 67 SER H H 1 8.38 0.04 . 1 . . . A 72 SER H . 19425 1 235 . 1 1 67 67 SER C C 13 174.035 0.40 . 1 . . . A 72 SER C . 19425 1 236 . 1 1 67 67 SER CA C 13 58.132 0.40 . 1 . . . A 72 SER CA . 19425 1 237 . 1 1 67 67 SER CB C 13 64.295 0.40 . 1 . . . A 72 SER CB . 19425 1 238 . 1 1 67 67 SER N N 15 116.205 0.40 . 1 . . . A 72 SER N . 19425 1 239 . 1 1 68 68 LEU H H 1 9.532 0.04 . 1 . . . A 73 LEU H . 19425 1 240 . 1 1 68 68 LEU C C 13 173.701 0.40 . 1 . . . A 73 LEU C . 19425 1 241 . 1 1 68 68 LEU CA C 13 53.347 0.40 . 1 . . . A 73 LEU CA . 19425 1 242 . 1 1 68 68 LEU CB C 13 45.926 0.40 . 1 . . . A 73 LEU CB . 19425 1 243 . 1 1 68 68 LEU N N 15 127.858 0.40 . 1 . . . A 73 LEU N . 19425 1 244 . 1 1 69 69 SER H H 1 8.24 0.04 . 1 . . . A 74 SER H . 19425 1 245 . 1 1 69 69 SER C C 13 177.541 0.40 . 1 . . . A 74 SER C . 19425 1 246 . 1 1 69 69 SER CA C 13 57.905 0.40 . 1 . . . A 74 SER CA . 19425 1 247 . 1 1 69 69 SER CB C 13 63.901 0.40 . 1 . . . A 74 SER CB . 19425 1 248 . 1 1 69 69 SER N N 15 115.724 0.40 . 1 . . . A 74 SER N . 19425 1 249 . 1 1 70 70 VAL H H 1 9.056 0.04 . 1 . . . A 75 VAL H . 19425 1 250 . 1 1 70 70 VAL C C 13 174.61 0.40 . 1 . . . A 75 VAL C . 19425 1 251 . 1 1 70 70 VAL CA C 13 67.104 0.40 . 1 . . . A 75 VAL CA . 19425 1 252 . 1 1 70 70 VAL CB C 13 30.953 0.40 . 1 . . . A 75 VAL CB . 19425 1 253 . 1 1 70 70 VAL N N 15 122.994 0.40 . 1 . . . A 75 VAL N . 19425 1 254 . 1 1 71 71 ARG H H 1 8.137 0.04 . 1 . . . A 76 ARG H . 19425 1 255 . 1 1 71 71 ARG C C 13 178.228 0.40 . 1 . . . A 76 ARG C . 19425 1 256 . 1 1 71 71 ARG CA C 13 59.087 0.40 . 1 . . . A 76 ARG CA . 19425 1 257 . 1 1 71 71 ARG CB C 13 29.28 0.40 . 1 . . . A 76 ARG CB . 19425 1 258 . 1 1 71 71 ARG N N 15 119.193 0.40 . 1 . . . A 76 ARG N . 19425 1 259 . 1 1 72 72 ALA H H 1 7.699 0.04 . 1 . . . A 77 ALA H . 19425 1 260 . 1 1 72 72 ALA C C 13 178.506 0.40 . 1 . . . A 77 ALA C . 19425 1 261 . 1 1 72 72 ALA CA C 13 54.926 0.40 . 1 . . . A 77 ALA CA . 19425 1 262 . 1 1 72 72 ALA CB C 13 18.231 0.40 . 1 . . . A 77 ALA CB . 19425 1 263 . 1 1 72 72 ALA N N 15 122.977 0.40 . 1 . . . A 77 ALA N . 19425 1 264 . 1 1 73 73 LEU H H 1 8.303 0.04 . 1 . . . A 78 LEU H . 19425 1 265 . 1 1 73 73 LEU C C 13 180.64 0.40 . 1 . . . A 78 LEU C . 19425 1 266 . 1 1 73 73 LEU CA C 13 57.985 0.40 . 1 . . . A 78 LEU CA . 19425 1 267 . 1 1 73 73 LEU CB C 13 40.522 0.40 . 1 . . . A 78 LEU CB . 19425 1 268 . 1 1 73 73 LEU N N 15 121.115 0.40 . 1 . . . A 78 LEU N . 19425 1 269 . 1 1 74 74 GLN H H 1 8.39 0.04 . 1 . . . A 79 GLN H . 19425 1 270 . 1 1 74 74 GLN C C 13 177.875 0.40 . 1 . . . A 79 GLN C . 19425 1 271 . 1 1 74 74 GLN CA C 13 59.069 0.40 . 1 . . . A 79 GLN CA . 19425 1 272 . 1 1 74 74 GLN CB C 13 27.254 0.40 . 1 . . . A 79 GLN CB . 19425 1 273 . 1 1 74 74 GLN N N 15 116.873 0.40 . 1 . . . A 79 GLN N . 19425 1 274 . 1 1 75 75 GLU H H 1 7.942 0.04 . 1 . . . A 80 GLU H . 19425 1 275 . 1 1 75 75 GLU C C 13 179.749 0.40 . 1 . . . A 80 GLU C . 19425 1 276 . 1 1 75 75 GLU CA C 13 59.413 0.40 . 1 . . . A 80 GLU CA . 19425 1 277 . 1 1 75 75 GLU CB C 13 29.142 0.40 . 1 . . . A 80 GLU CB . 19425 1 278 . 1 1 75 75 GLU N N 15 120.455 0.40 . 1 . . . A 80 GLU N . 19425 1 279 . 1 1 76 76 MET H H 1 7.87 0.04 . 1 . . . A 81 MET H . 19425 1 280 . 1 1 76 76 MET C C 13 178.599 0.40 . 1 . . . A 81 MET C . 19425 1 281 . 1 1 76 76 MET CA C 13 59.665 0.40 . 1 . . . A 81 MET CA . 19425 1 282 . 1 1 76 76 MET CB C 13 32.534 0.40 . 1 . . . A 81 MET CB . 19425 1 283 . 1 1 76 76 MET N N 15 120.541 0.40 . 1 . . . A 81 MET N . 19425 1 284 . 1 1 77 77 LEU H H 1 8.488 0.04 . 1 . . . A 82 LEU H . 19425 1 285 . 1 1 77 77 LEU C C 13 179.638 0.40 . 1 . . . A 82 LEU C . 19425 1 286 . 1 1 77 77 LEU CA C 13 57.669 0.40 . 1 . . . A 82 LEU CA . 19425 1 287 . 1 1 77 77 LEU CB C 13 40.783 0.40 . 1 . . . A 82 LEU CB . 19425 1 288 . 1 1 77 77 LEU N N 15 119.662 0.40 . 1 . . . A 82 LEU N . 19425 1 289 . 1 1 78 78 ALA H H 1 7.704 0.04 . 1 . . . A 83 ALA H . 19425 1 290 . 1 1 78 78 ALA C C 13 179.323 0.40 . 1 . . . A 83 ALA C . 19425 1 291 . 1 1 78 78 ALA CA C 13 54.073 0.40 . 1 . . . A 83 ALA CA . 19425 1 292 . 1 1 78 78 ALA CB C 13 18.326 0.40 . 1 . . . A 83 ALA CB . 19425 1 293 . 1 1 78 78 ALA N N 15 120.827 0.40 . 1 . . . A 83 ALA N . 19425 1 294 . 1 1 79 79 ASN H H 1 7.729 0.04 . 1 . . . A 84 ASN H . 19425 1 295 . 1 1 79 79 ASN C C 13 178.944 0.40 . 1 . . . A 84 ASN C . 19425 1 296 . 1 1 79 79 ASN CA C 13 54.167 0.40 . 1 . . . A 84 ASN CA . 19425 1 297 . 1 1 79 79 ASN CB C 13 39.465 0.40 . 1 . . . A 84 ASN CB . 19425 1 298 . 1 1 79 79 ASN N N 15 115.853 0.40 . 1 . . . A 84 ASN N . 19425 1 299 . 1 1 80 80 THR H H 1 7.698 0.04 . 1 . . . A 85 THR H . 19425 1 300 . 1 1 80 80 THR C C 13 175.569 0.40 . 1 . . . A 85 THR C . 19425 1 301 . 1 1 80 80 THR CA C 13 63.086 0.40 . 1 . . . A 85 THR CA . 19425 1 302 . 1 1 80 80 THR CB C 13 70.071 0.40 . 1 . . . A 85 THR CB . 19425 1 303 . 1 1 80 80 THR N N 15 112.611 0.40 . 1 . . . A 85 THR N . 19425 1 304 . 1 1 81 81 VAL H H 1 7.874 0.04 . 1 . . . A 86 VAL H . 19425 1 305 . 1 1 81 81 VAL C C 13 174.573 0.40 . 1 . . . A 86 VAL C . 19425 1 306 . 1 1 81 81 VAL CA C 13 62.811 0.40 . 1 . . . A 86 VAL CA . 19425 1 307 . 1 1 81 81 VAL CB C 13 32.73 0.40 . 1 . . . A 86 VAL CB . 19425 1 308 . 1 1 81 81 VAL N N 15 121.812 0.40 . 1 . . . A 86 VAL N . 19425 1 309 . 1 1 82 82 GLU H H 1 8.403 0.04 . 1 . . . A 87 GLU H . 19425 1 310 . 1 1 82 82 GLU C C 13 176.28 0.40 . 1 . . . A 87 GLU C . 19425 1 311 . 1 1 82 82 GLU CA C 13 56.877 0.40 . 1 . . . A 87 GLU CA . 19425 1 312 . 1 1 82 82 GLU CB C 13 29.852 0.40 . 1 . . . A 87 GLU CB . 19425 1 313 . 1 1 82 82 GLU N N 15 124.33 0.40 . 1 . . . A 87 GLU N . 19425 1 314 . 1 1 83 83 LYS H H 1 8.33 0.04 . 1 . . . A 88 LYS H . 19425 1 315 . 1 1 83 83 LYS C C 13 176.966 0.40 . 1 . . . A 88 LYS C . 19425 1 316 . 1 1 83 83 LYS CA C 13 56.799 0.40 . 1 . . . A 88 LYS CA . 19425 1 317 . 1 1 83 83 LYS CB C 13 32.597 0.40 . 1 . . . A 88 LYS CB . 19425 1 318 . 1 1 83 83 LYS N N 15 122.065 0.40 . 1 . . . A 88 LYS N . 19425 1 319 . 1 1 84 84 SER H H 1 8.247 0.04 . 1 . . . A 89 SER H . 19425 1 320 . 1 1 84 84 SER C C 13 176.865 0.40 . 1 . . . A 89 SER C . 19425 1 321 . 1 1 84 84 SER CA C 13 59.008 0.40 . 1 . . . A 89 SER CA . 19425 1 322 . 1 1 84 84 SER CB C 13 63.765 0.40 . 1 . . . A 89 SER CB . 19425 1 323 . 1 1 84 84 SER N N 15 116.192 0.40 . 1 . . . A 89 SER N . 19425 1 324 . 1 1 85 85 GLU H H 1 8.56 0.04 . 1 . . . A 90 GLU H . 19425 1 325 . 1 1 85 85 GLU C C 13 174.702 0.40 . 1 . . . A 90 GLU C . 19425 1 326 . 1 1 85 85 GLU CA C 13 57.231 0.40 . 1 . . . A 90 GLU CA . 19425 1 327 . 1 1 85 85 GLU CB C 13 29.442 0.40 . 1 . . . A 90 GLU CB . 19425 1 328 . 1 1 85 85 GLU N N 15 122.006 0.40 . 1 . . . A 90 GLU N . 19425 1 329 . 1 1 86 86 GLY H H 1 8.358 0.04 . 1 . . . A 91 GLY H . 19425 1 330 . 1 1 86 86 GLY C C 13 177.17 0.40 . 1 . . . A 91 GLY C . 19425 1 331 . 1 1 86 86 GLY CA C 13 45.634 0.40 . 1 . . . A 91 GLY CA . 19425 1 332 . 1 1 86 86 GLY N N 15 110.052 0.40 . 1 . . . A 91 GLY N . 19425 1 333 . 1 1 87 87 GLN H H 1 8.075 0.04 . 1 . . . A 92 GLN H . 19425 1 334 . 1 1 87 87 GLN C C 13 173.905 0.40 . 1 . . . A 92 GLN C . 19425 1 335 . 1 1 87 87 GLN CA C 13 55.261 0.40 . 1 . . . A 92 GLN CA . 19425 1 336 . 1 1 87 87 GLN CB C 13 29.573 0.40 . 1 . . . A 92 GLN CB . 19425 1 337 . 1 1 87 87 GLN N N 15 120.053 0.40 . 1 . . . A 92 GLN N . 19425 1 338 . 1 1 88 88 VAL H H 1 8.37 0.04 . 1 . . . A 93 VAL H . 19425 1 339 . 1 1 88 88 VAL C C 13 175.667 0.40 . 1 . . . A 93 VAL C . 19425 1 340 . 1 1 88 88 VAL CA C 13 62.914 0.40 . 1 . . . A 93 VAL CA . 19425 1 341 . 1 1 88 88 VAL CB C 13 32.629 0.40 . 1 . . . A 93 VAL CB . 19425 1 342 . 1 1 88 88 VAL N N 15 123.434 0.40 . 1 . . . A 93 VAL N . 19425 1 343 . 1 1 89 89 ASP H H 1 8.55 0.04 . 1 . . . A 94 ASP H . 19425 1 344 . 1 1 89 89 ASP C C 13 175.704 0.40 . 1 . . . A 94 ASP C . 19425 1 345 . 1 1 89 89 ASP CA C 13 53.743 0.40 . 1 . . . A 94 ASP CA . 19425 1 346 . 1 1 89 89 ASP CB C 13 40.771 0.40 . 1 . . . A 94 ASP CB . 19425 1 347 . 1 1 89 89 ASP N N 15 125.761 0.40 . 1 . . . A 94 ASP N . 19425 1 348 . 1 1 90 90 VAL H H 1 8.3 0.04 . 1 . . . A 95 VAL H . 19425 1 349 . 1 1 90 90 VAL C C 13 176.465 0.40 . 1 . . . A 95 VAL C . 19425 1 350 . 1 1 90 90 VAL CA C 13 65.487 0.40 . 1 . . . A 95 VAL CA . 19425 1 351 . 1 1 90 90 VAL CB C 13 31.773 0.40 . 1 . . . A 95 VAL CB . 19425 1 352 . 1 1 90 90 VAL N N 15 125.064 0.40 . 1 . . . A 95 VAL N . 19425 1 353 . 1 1 91 91 GLU H H 1 8.297 0.04 . 1 . . . A 96 GLU H . 19425 1 354 . 1 1 91 91 GLU C C 13 177.523 0.40 . 1 . . . A 96 GLU C . 19425 1 355 . 1 1 91 91 GLU CA C 13 59.157 0.40 . 1 . . . A 96 GLU CA . 19425 1 356 . 1 1 91 91 GLU CB C 13 28.575 0.40 . 1 . . . A 96 GLU CB . 19425 1 357 . 1 1 91 91 GLU N N 15 120.88 0.40 . 1 . . . A 96 GLU N . 19425 1 358 . 1 1 92 92 LYS H H 1 7.979 0.04 . 1 . . . A 97 LYS H . 19425 1 359 . 1 1 92 92 LYS C C 13 179.434 0.40 . 1 . . . A 97 LYS C . 19425 1 360 . 1 1 92 92 LYS CA C 13 59.186 0.40 . 1 . . . A 97 LYS CA . 19425 1 361 . 1 1 92 92 LYS CB C 13 32.036 0.40 . 1 . . . A 97 LYS CB . 19425 1 362 . 1 1 92 92 LYS N N 15 121.943 0.40 . 1 . . . A 97 LYS N . 19425 1 363 . 1 1 93 93 TRP H H 1 8.202 0.04 . 1 . . . A 98 TRP H . 19425 1 364 . 1 1 93 93 TRP C C 13 178.673 0.40 . 1 . . . A 98 TRP C . 19425 1 365 . 1 1 93 93 TRP CA C 13 60.176 0.40 . 1 . . . A 98 TRP CA . 19425 1 366 . 1 1 93 93 TRP CB C 13 29.34 0.40 . 1 . . . A 98 TRP CB . 19425 1 367 . 1 1 93 93 TRP N N 15 121.42 0.40 . 1 . . . A 98 TRP N . 19425 1 368 . 1 1 94 94 LYS H H 1 8.346 0.04 . 1 . . . A 99 LYS H . 19425 1 369 . 1 1 94 94 LYS C C 13 177.374 0.40 . 1 . . . A 99 LYS C . 19425 1 370 . 1 1 94 94 LYS CA C 13 59.812 0.40 . 1 . . . A 99 LYS CA . 19425 1 371 . 1 1 94 94 LYS CB C 13 32.042 0.40 . 1 . . . A 99 LYS CB . 19425 1 372 . 1 1 94 94 LYS N N 15 118.236 0.40 . 1 . . . A 99 LYS N . 19425 1 373 . 1 1 95 95 PHE H H 1 7.916 0.04 . 1 . . . A 100 PHE H . 19425 1 374 . 1 1 95 95 PHE C C 13 179.193 0.40 . 1 . . . A 100 PHE C . 19425 1 375 . 1 1 95 95 PHE CA C 13 60.902 0.40 . 1 . . . A 100 PHE CA . 19425 1 376 . 1 1 95 95 PHE CB C 13 38.875 0.40 . 1 . . . A 100 PHE CB . 19425 1 377 . 1 1 95 95 PHE N N 15 120.365 0.40 . 1 . . . A 100 PHE N . 19425 1 378 . 1 1 96 96 MET H H 1 8.393 0.04 . 1 . . . A 101 MET H . 19425 1 379 . 1 1 96 96 MET C C 13 178.172 0.40 . 1 . . . A 101 MET C . 19425 1 380 . 1 1 96 96 MET CA C 13 58.625 0.40 . 1 . . . A 101 MET CA . 19425 1 381 . 1 1 96 96 MET CB C 13 32.081 0.40 . 1 . . . A 101 MET CB . 19425 1 382 . 1 1 96 96 MET N N 15 121.837 0.40 . 1 . . . A 101 MET N . 19425 1 383 . 1 1 97 97 MET H H 1 8.174 0.04 . 1 . . . A 102 MET H . 19425 1 384 . 1 1 97 97 MET C C 13 178.655 0.40 . 1 . . . A 102 MET C . 19425 1 385 . 1 1 97 97 MET CA C 13 57.867 0.40 . 1 . . . A 102 MET CA . 19425 1 386 . 1 1 97 97 MET CB C 13 32.414 0.40 . 1 . . . A 102 MET CB . 19425 1 387 . 1 1 97 97 MET N N 15 119.901 0.40 . 1 . . . A 102 MET N . 19425 1 388 . 1 1 98 98 LYS H H 1 7.899 0.04 . 1 . . . A 103 LYS H . 19425 1 389 . 1 1 98 98 LYS C C 13 177.857 0.40 . 1 . . . A 103 LYS C . 19425 1 390 . 1 1 98 98 LYS CA C 13 58.592 0.40 . 1 . . . A 103 LYS CA . 19425 1 391 . 1 1 98 98 LYS CB C 13 31.816 0.40 . 1 . . . A 103 LYS CB . 19425 1 392 . 1 1 98 98 LYS N N 15 120.555 0.40 . 1 . . . A 103 LYS N . 19425 1 393 . 1 1 99 99 THR H H 1 7.895 0.04 . 1 . . . A 104 THR H . 19425 1 394 . 1 1 99 99 THR C C 13 179.267 0.40 . 1 . . . A 104 THR C . 19425 1 395 . 1 1 99 99 THR CA C 13 64.914 0.40 . 1 . . . A 104 THR CA . 19425 1 396 . 1 1 99 99 THR CB C 13 69.103 0.40 . 1 . . . A 104 THR CB . 19425 1 397 . 1 1 99 99 THR N N 15 115.45 0.40 . 1 . . . A 104 THR N . 19425 1 398 . 1 1 100 100 ALA H H 1 7.896 0.04 . 1 . . . A 105 ALA H . 19425 1 399 . 1 1 100 100 ALA C C 13 176.057 0.40 . 1 . . . A 105 ALA C . 19425 1 400 . 1 1 100 100 ALA CA C 13 54.106 0.40 . 1 . . . A 105 ALA CA . 19425 1 401 . 1 1 100 100 ALA CB C 13 18.493 0.40 . 1 . . . A 105 ALA CB . 19425 1 402 . 1 1 100 100 ALA N N 15 124.862 0.40 . 1 . . . A 105 ALA N . 19425 1 403 . 1 1 101 101 GLN H H 1 7.944 0.04 . 1 . . . A 106 GLN H . 19425 1 404 . 1 1 101 101 GLN C C 13 178.655 0.40 . 1 . . . A 106 GLN C . 19425 1 405 . 1 1 101 101 GLN CA C 13 56.913 0.40 . 1 . . . A 106 GLN CA . 19425 1 406 . 1 1 101 101 GLN CB C 13 29.148 0.40 . 1 . . . A 106 GLN CB . 19425 1 407 . 1 1 101 101 GLN N N 15 117.285 0.40 . 1 . . . A 106 GLN N . 19425 1 408 . 1 1 102 102 GLY H H 1 7.852 0.04 . 1 . . . A 107 GLY H . 19425 1 409 . 1 1 102 102 GLY C C 13 177.597 0.40 . 1 . . . A 107 GLY C . 19425 1 410 . 1 1 102 102 GLY CA C 13 45.975 0.40 . 1 . . . A 107 GLY CA . 19425 1 411 . 1 1 102 102 GLY N N 15 107.494 0.40 . 1 . . . A 107 GLY N . 19425 1 412 . 1 1 103 103 GLY H H 1 8.313 0.04 . 1 . . . A 108 GLY H . 19425 1 413 . 1 1 103 103 GLY C C 13 174.74 0.40 . 1 . . . A 108 GLY C . 19425 1 414 . 1 1 103 103 GLY CA C 13 45.151 0.40 . 1 . . . A 108 GLY CA . 19425 1 415 . 1 1 103 103 GLY N N 15 109.642 0.40 . 1 . . . A 108 GLY N . 19425 1 416 . 1 1 104 104 GLY H H 1 8.059 0.04 . 1 . . . A 109 GLY H . 19425 1 417 . 1 1 104 104 GLY C C 13 174.313 0.40 . 1 . . . A 109 GLY C . 19425 1 418 . 1 1 104 104 GLY CA C 13 44.659 0.40 . 1 . . . A 109 GLY CA . 19425 1 419 . 1 1 104 104 GLY N N 15 108.058 0.40 . 1 . . . A 109 GLY N . 19425 1 420 . 1 1 105 105 HIS H H 1 8.261 0.04 . 1 . . . A 110 HIS H . 19425 1 421 . 1 1 105 105 HIS C C 13 173.348 0.40 . 1 . . . A 110 HIS C . 19425 1 422 . 1 1 105 105 HIS CA C 13 55.59 0.40 . 1 . . . A 110 HIS CA . 19425 1 423 . 1 1 105 105 HIS CB C 13 28.502 0.40 . 1 . . . A 110 HIS CB . 19425 1 424 . 1 1 105 105 HIS N N 15 118.432 0.40 . 1 . . . A 110 HIS N . 19425 1 425 . 1 1 106 106 ARG H H 1 8.597 0.04 . 1 . . . A 111 ARG H . 19425 1 426 . 1 1 106 106 ARG C C 13 174.908 0.40 . 1 . . . A 111 ARG C . 19425 1 427 . 1 1 106 106 ARG CA C 13 55.233 0.40 . 1 . . . A 111 ARG CA . 19425 1 428 . 1 1 106 106 ARG CB C 13 31.125 0.40 . 1 . . . A 111 ARG CB . 19425 1 429 . 1 1 106 106 ARG N N 15 122.052 0.40 . 1 . . . A 111 ARG N . 19425 1 430 . 1 1 107 107 THR H H 1 8.577 0.04 . 1 . . . A 112 THR H . 19425 1 431 . 1 1 107 107 THR C C 13 176.447 0.40 . 1 . . . A 112 THR C . 19425 1 432 . 1 1 107 107 THR CA C 13 63.723 0.40 . 1 . . . A 112 THR CA . 19425 1 433 . 1 1 107 107 THR CB C 13 68.984 0.40 . 1 . . . A 112 THR CB . 19425 1 434 . 1 1 107 107 THR N N 15 120.248 0.40 . 1 . . . A 112 THR N . 19425 1 435 . 1 1 108 108 LEU H H 1 8.515 0.04 . 1 . . . A 113 LEU H . 19425 1 436 . 1 1 108 108 LEU C C 13 174.294 0.40 . 1 . . . A 113 LEU C . 19425 1 437 . 1 1 108 108 LEU CA C 13 56.791 0.40 . 1 . . . A 113 LEU CA . 19425 1 438 . 1 1 108 108 LEU CB C 13 41.705 0.40 . 1 . . . A 113 LEU CB . 19425 1 439 . 1 1 108 108 LEU N N 15 130.382 0.40 . 1 . . . A 113 LEU N . 19425 1 440 . 1 1 109 109 LEU H H 1 6.454 0.04 . 1 . . . A 114 LEU H . 19425 1 441 . 1 1 109 109 LEU C C 13 175.278 0.40 . 1 . . . A 114 LEU C . 19425 1 442 . 1 1 109 109 LEU CA C 13 51.667 0.40 . 1 . . . A 114 LEU CA . 19425 1 443 . 1 1 109 109 LEU CB C 13 42.454 0.40 . 1 . . . A 114 LEU CB . 19425 1 444 . 1 1 109 109 LEU N N 15 118.829 0.40 . 1 . . . A 114 LEU N . 19425 1 445 . 1 1 110 110 TYR H H 1 8.797 0.04 . 1 . . . A 115 TYR H . 19425 1 446 . 1 1 110 110 TYR C C 13 177.152 0.40 . 1 . . . A 115 TYR C . 19425 1 447 . 1 1 110 110 TYR CA C 13 62.452 0.40 . 1 . . . A 115 TYR CA . 19425 1 448 . 1 1 110 110 TYR CB C 13 38.058 0.40 . 1 . . . A 115 TYR CB . 19425 1 449 . 1 1 110 110 TYR N N 15 119.059 0.40 . 1 . . . A 115 TYR N . 19425 1 450 . 1 1 111 111 GLY H H 1 9.672 0.04 . 1 . . . A 116 GLY H . 19425 1 451 . 1 1 111 111 GLY C C 13 178.061 0.40 . 1 . . . A 116 GLY C . 19425 1 452 . 1 1 111 111 GLY CA C 13 45.1 0.40 . 1 . . . A 116 GLY CA . 19425 1 453 . 1 1 111 111 GLY N N 15 115.795 0.40 . 1 . . . A 116 GLY N . 19425 1 454 . 1 1 112 112 HIS H H 1 8.113 0.04 . 1 . . . A 117 HIS H . 19425 1 455 . 1 1 112 112 HIS C C 13 175.463 0.40 . 1 . . . A 117 HIS C . 19425 1 456 . 1 1 112 112 HIS CA C 13 56.119 0.40 . 1 . . . A 117 HIS CA . 19425 1 457 . 1 1 112 112 HIS CB C 13 32.293 0.40 . 1 . . . A 117 HIS CB . 19425 1 458 . 1 1 112 112 HIS N N 15 122.193 0.40 . 1 . . . A 117 HIS N . 19425 1 459 . 1 1 113 113 ALA H H 1 9.458 0.04 . 1 . . . A 118 ALA H . 19425 1 460 . 1 1 113 113 ALA C C 13 173.775 0.40 . 1 . . . A 118 ALA C . 19425 1 461 . 1 1 113 113 ALA CA C 13 50.378 0.40 . 1 . . . A 118 ALA CA . 19425 1 462 . 1 1 113 113 ALA CB C 13 21.646 0.40 . 1 . . . A 118 ALA CB . 19425 1 463 . 1 1 113 113 ALA N N 15 120.893 0.40 . 1 . . . A 118 ALA N . 19425 1 464 . 1 1 115 115 LEU H H 1 8.746 0.04 . 1 . . . A 120 LEU H . 19425 1 465 . 1 1 115 115 LEU C C 13 173.367 0.40 . 1 . . . A 120 LEU C . 19425 1 466 . 1 1 115 115 LEU CA C 13 56.217 0.40 . 1 . . . A 120 LEU CA . 19425 1 467 . 1 1 115 115 LEU CB C 13 39.519 0.40 . 1 . . . A 120 LEU CB . 19425 1 468 . 1 1 115 115 LEU N N 15 119.631 0.40 . 1 . . . A 120 LEU N . 19425 1 469 . 1 1 116 116 LEU H H 1 8.59 0.04 . 1 . . . A 121 LEU H . 19425 1 470 . 1 1 116 116 LEU C C 13 171.4 0.40 . 1 . . . A 121 LEU C . 19425 1 471 . 1 1 116 116 LEU CA C 13 52.852 0.40 . 1 . . . A 121 LEU CA . 19425 1 472 . 1 1 116 116 LEU CB C 13 43.452 0.40 . 1 . . . A 121 LEU CB . 19425 1 473 . 1 1 116 116 LEU N N 15 118.9 0.40 . 1 . . . A 121 LEU N . 19425 1 474 . 1 1 117 117 ARG H H 1 9.077 0.04 . 1 . . . A 122 ARG H . 19425 1 475 . 1 1 117 117 ARG C C 13 176.465 0.40 . 1 . . . A 122 ARG C . 19425 1 476 . 1 1 117 117 ARG CA C 13 54.403 0.40 . 1 . . . A 122 ARG CA . 19425 1 477 . 1 1 117 117 ARG CB C 13 32.897 0.40 . 1 . . . A 122 ARG CB . 19425 1 478 . 1 1 117 117 ARG N N 15 123.588 0.40 . 1 . . . A 122 ARG N . 19425 1 479 . 1 1 118 118 HIS H H 1 9.622 0.04 . 1 . . . A 123 HIS H . 19425 1 480 . 1 1 118 118 HIS C C 13 175.704 0.40 . 1 . . . A 123 HIS C . 19425 1 481 . 1 1 118 118 HIS CA C 13 56.637 0.40 . 1 . . . A 123 HIS CA . 19425 1 482 . 1 1 118 118 HIS CB C 13 31.261 0.40 . 1 . . . A 123 HIS CB . 19425 1 483 . 1 1 118 118 HIS N N 15 131.44 0.40 . 1 . . . A 123 HIS N . 19425 1 484 . 1 1 119 119 SER H H 1 7.84 0.04 . 1 . . . A 124 SER H . 19425 1 485 . 1 1 119 119 SER C C 13 175.686 0.40 . 1 . . . A 124 SER C . 19425 1 486 . 1 1 119 119 SER CA C 13 62.01 0.40 . 1 . . . A 124 SER CA . 19425 1 487 . 1 1 119 119 SER CB C 13 62.912 0.40 . 1 . . . A 124 SER CB . 19425 1 488 . 1 1 119 119 SER N N 15 127.024 0.40 . 1 . . . A 124 SER N . 19425 1 489 . 1 1 120 120 TYR H H 1 8.746 0.04 . 1 . . . A 125 TYR H . 19425 1 490 . 1 1 120 120 TYR C C 13 180.696 0.40 . 1 . . . A 125 TYR C . 19425 1 491 . 1 1 120 120 TYR CA C 13 60.903 0.40 . 1 . . . A 125 TYR CA . 19425 1 492 . 1 1 120 120 TYR CB C 13 38.744 0.40 . 1 . . . A 125 TYR CB . 19425 1 493 . 1 1 120 120 TYR N N 15 119.708 0.40 . 1 . . . A 125 TYR N . 19425 1 494 . 1 1 121 121 SER H H 1 7.004 0.04 . 1 . . . A 126 SER H . 19425 1 495 . 1 1 121 121 SER C C 13 176.543 0.40 . 1 . . . A 126 SER C . 19425 1 496 . 1 1 121 121 SER CA C 13 59.366 0.40 . 1 . . . A 126 SER CA . 19425 1 497 . 1 1 121 121 SER CB C 13 65.282 0.40 . 1 . . . A 126 SER CB . 19425 1 498 . 1 1 121 121 SER N N 15 110.333 0.40 . 1 . . . A 126 SER N . 19425 1 499 . 1 1 122 122 GLY H H 1 8.181 0.04 . 1 . . . A 127 GLY H . 19425 1 500 . 1 1 122 122 GLY C C 13 176.428 0.40 . 1 . . . A 127 GLY C . 19425 1 501 . 1 1 122 122 GLY CA C 13 46.064 0.40 . 1 . . . A 127 GLY CA . 19425 1 502 . 1 1 122 122 GLY N N 15 113.322 0.40 . 1 . . . A 127 GLY N . 19425 1 503 . 1 1 123 123 MET H H 1 7.551 0.04 . 1 . . . A 128 MET H . 19425 1 504 . 1 1 123 123 MET C C 13 173.2 0.40 . 1 . . . A 128 MET C . 19425 1 505 . 1 1 123 123 MET CA C 13 55.429 0.40 . 1 . . . A 128 MET CA . 19425 1 506 . 1 1 123 123 MET CB C 13 35.988 0.40 . 1 . . . A 128 MET CB . 19425 1 507 . 1 1 123 123 MET N N 15 118.598 0.40 . 1 . . . A 128 MET N . 19425 1 508 . 1 1 124 124 TYR H H 1 8.923 0.04 . 1 . . . A 129 TYR H . 19425 1 509 . 1 1 124 124 TYR C C 13 172.884 0.40 . 1 . . . A 129 TYR C . 19425 1 510 . 1 1 124 124 TYR CA C 13 58.658 0.40 . 1 . . . A 129 TYR CA . 19425 1 511 . 1 1 124 124 TYR CB C 13 40.914 0.40 . 1 . . . A 129 TYR CB . 19425 1 512 . 1 1 124 124 TYR N N 15 116.715 0.40 . 1 . . . A 129 TYR N . 19425 1 513 . 1 1 125 125 LEU H H 1 8.236 0.04 . 1 . . . A 130 LEU H . 19425 1 514 . 1 1 125 125 LEU C C 13 176.677 0.40 . 1 . . . A 130 LEU C . 19425 1 515 . 1 1 125 125 LEU CA C 13 56.311 0.40 . 1 . . . A 130 LEU CA . 19425 1 516 . 1 1 125 125 LEU CB C 13 42.909 0.40 . 1 . . . A 130 LEU CB . 19425 1 517 . 1 1 125 125 LEU N N 15 123.061 0.40 . 1 . . . A 130 LEU N . 19425 1 518 . 1 1 126 126 CYS H H 1 9.516 0.04 . 1 . . . A 131 CYS H . 19425 1 519 . 1 1 126 126 CYS C C 13 177.616 0.40 . 1 . . . A 131 CYS C . 19425 1 520 . 1 1 126 126 CYS CA C 13 57.028 0.40 . 1 . . . A 131 CYS CA . 19425 1 521 . 1 1 126 126 CYS CB C 13 32.339 0.40 . 1 . . . A 131 CYS CB . 19425 1 522 . 1 1 126 126 CYS N N 15 126.618 0.40 . 1 . . . A 131 CYS N . 19425 1 523 . 1 1 127 127 CYS H H 1 8.142 0.04 . 1 . . . A 132 CYS H . 19425 1 524 . 1 1 127 127 CYS C C 13 172.309 0.40 . 1 . . . A 132 CYS C . 19425 1 525 . 1 1 127 127 CYS CA C 13 59.436 0.40 . 1 . . . A 132 CYS CA . 19425 1 526 . 1 1 127 127 CYS CB C 13 27.383 0.40 . 1 . . . A 132 CYS CB . 19425 1 527 . 1 1 127 127 CYS N N 15 124.86 0.40 . 1 . . . A 132 CYS N . 19425 1 528 . 1 1 128 128 LEU H H 1 9.008 0.04 . 1 . . . A 133 LEU H . 19425 1 529 . 1 1 128 128 LEU C C 13 174.035 0.40 . 1 . . . A 133 LEU C . 19425 1 530 . 1 1 128 128 LEU CA C 13 54.799 0.40 . 1 . . . A 133 LEU CA . 19425 1 531 . 1 1 128 128 LEU CB C 13 41.109 0.40 . 1 . . . A 133 LEU CB . 19425 1 532 . 1 1 128 128 LEU N N 15 131.382 0.40 . 1 . . . A 133 LEU N . 19425 1 533 . 1 1 129 129 SER H H 1 8.229 0.04 . 1 . . . A 134 SER H . 19425 1 534 . 1 1 129 129 SER C C 13 175.519 0.40 . 1 . . . A 134 SER C . 19425 1 535 . 1 1 129 129 SER CA C 13 58.32 0.40 . 1 . . . A 134 SER CA . 19425 1 536 . 1 1 129 129 SER CB C 13 63.979 0.40 . 1 . . . A 134 SER CB . 19425 1 537 . 1 1 129 129 SER N N 15 112.103 0.40 . 1 . . . A 134 SER N . 19425 1 538 . 1 1 130 130 THR H H 1 7.292 0.04 . 1 . . . A 135 THR H . 19425 1 539 . 1 1 130 130 THR C C 13 174.535 0.40 . 1 . . . A 135 THR C . 19425 1 540 . 1 1 130 130 THR CA C 13 60.703 0.40 . 1 . . . A 135 THR CA . 19425 1 541 . 1 1 130 130 THR CB C 13 70.624 0.40 . 1 . . . A 135 THR CB . 19425 1 542 . 1 1 130 130 THR N N 15 111.693 0.40 . 1 . . . A 135 THR N . 19425 1 543 . 1 1 131 131 SER H H 1 8.544 0.04 . 1 . . . A 136 SER H . 19425 1 544 . 1 1 131 131 SER C C 13 173.478 0.40 . 1 . . . A 136 SER C . 19425 1 545 . 1 1 131 131 SER CA C 13 57.537 0.40 . 1 . . . A 136 SER CA . 19425 1 546 . 1 1 131 131 SER CB C 13 64.593 0.40 . 1 . . . A 136 SER CB . 19425 1 547 . 1 1 131 131 SER N N 15 117.26 0.40 . 1 . . . A 136 SER N . 19425 1 548 . 1 1 132 132 ARG H H 1 9.231 0.04 . 1 . . . A 137 ARG H . 19425 1 549 . 1 1 132 132 ARG C C 13 175 0.40 . 1 . . . A 137 ARG C . 19425 1 550 . 1 1 132 132 ARG CA C 13 56.922 0.40 . 1 . . . A 137 ARG CA . 19425 1 551 . 1 1 132 132 ARG CB C 13 30.733 0.40 . 1 . . . A 137 ARG CB . 19425 1 552 . 1 1 132 132 ARG N N 15 124.804 0.40 . 1 . . . A 137 ARG N . 19425 1 553 . 1 1 133 133 SER H H 1 7.891 0.04 . 1 . . . A 138 SER H . 19425 1 554 . 1 1 133 133 SER C C 13 175.871 0.40 . 1 . . . A 138 SER C . 19425 1 555 . 1 1 133 133 SER CA C 13 61.891 0.40 . 1 . . . A 138 SER CA . 19425 1 556 . 1 1 133 133 SER CB C 13 62.73 0.40 . 1 . . . A 138 SER CB . 19425 1 557 . 1 1 133 133 SER N N 15 126.225 0.40 . 1 . . . A 138 SER N . 19425 1 558 . 1 1 135 135 THR H H 1 8.168 0.04 . 1 . . . A 140 THR H . 19425 1 559 . 1 1 135 135 THR C C 13 173.756 0.40 . 1 . . . A 140 THR C . 19425 1 560 . 1 1 135 135 THR CA C 13 62.895 0.40 . 1 . . . A 140 THR CA . 19425 1 561 . 1 1 135 135 THR CB C 13 69.332 0.40 . 1 . . . A 140 THR CB . 19425 1 562 . 1 1 135 135 THR N N 15 114.799 0.40 . 1 . . . A 140 THR N . 19425 1 563 . 1 1 136 136 ASP H H 1 8.049 0.04 . 1 . . . A 141 ASP H . 19425 1 564 . 1 1 136 136 ASP C C 13 174.795 0.40 . 1 . . . A 141 ASP C . 19425 1 565 . 1 1 136 136 ASP CA C 13 54.001 0.40 . 1 . . . A 141 ASP CA . 19425 1 566 . 1 1 136 136 ASP CB C 13 40.914 0.40 . 1 . . . A 141 ASP CB . 19425 1 567 . 1 1 136 136 ASP N N 15 121.772 0.40 . 1 . . . A 141 ASP N . 19425 1 568 . 1 1 137 137 LYS H H 1 8.376 0.04 . 1 . . . A 142 LYS H . 19425 1 569 . 1 1 137 137 LYS C C 13 176.274 0.40 . 1 . . . A 142 LYS C . 19425 1 570 . 1 1 137 137 LYS CA C 13 57.106 0.40 . 1 . . . A 142 LYS CA . 19425 1 571 . 1 1 137 137 LYS CB C 13 31.369 0.40 . 1 . . . A 142 LYS CB . 19425 1 572 . 1 1 137 137 LYS N N 15 121.585 0.40 . 1 . . . A 142 LYS N . 19425 1 573 . 1 1 138 138 LEU H H 1 8.262 0.04 . 1 . . . A 143 LEU H . 19425 1 574 . 1 1 138 138 LEU C C 13 176.798 0.40 . 1 . . . A 143 LEU C . 19425 1 575 . 1 1 138 138 LEU CA C 13 55.261 0.40 . 1 . . . A 143 LEU CA . 19425 1 576 . 1 1 138 138 LEU CB C 13 41.487 0.40 . 1 . . . A 143 LEU CB . 19425 1 577 . 1 1 138 138 LEU N N 15 119.604 0.40 . 1 . . . A 143 LEU N . 19425 1 578 . 1 1 139 139 ALA H H 1 7.614 0.04 . 1 . . . A 144 ALA H . 19425 1 579 . 1 1 139 139 ALA C C 13 176.41 0.40 . 1 . . . A 144 ALA C . 19425 1 580 . 1 1 139 139 ALA CA C 13 51.335 0.40 . 1 . . . A 144 ALA CA . 19425 1 581 . 1 1 139 139 ALA CB C 13 20.924 0.40 . 1 . . . A 144 ALA CB . 19425 1 582 . 1 1 139 139 ALA N N 15 123.881 0.40 . 1 . . . A 144 ALA N . 19425 1 583 . 1 1 140 140 PHE H H 1 8.647 0.04 . 1 . . . A 145 PHE H . 19425 1 584 . 1 1 140 140 PHE C C 13 176.948 0.40 . 1 . . . A 145 PHE C . 19425 1 585 . 1 1 140 140 PHE CA C 13 55.872 0.40 . 1 . . . A 145 PHE CA . 19425 1 586 . 1 1 140 140 PHE CB C 13 42.468 0.40 . 1 . . . A 145 PHE CB . 19425 1 587 . 1 1 140 140 PHE N N 15 120.083 0.40 . 1 . . . A 145 PHE N . 19425 1 588 . 1 1 141 141 ASP H H 1 8.692 0.04 . 1 . . . A 146 ASP H . 19425 1 589 . 1 1 141 141 ASP C C 13 175.519 0.40 . 1 . . . A 146 ASP C . 19425 1 590 . 1 1 141 141 ASP CA C 13 54.679 0.40 . 1 . . . A 146 ASP CA . 19425 1 591 . 1 1 141 141 ASP CB C 13 42.169 0.40 . 1 . . . A 146 ASP CB . 19425 1 592 . 1 1 141 141 ASP N N 15 119.893 0.40 . 1 . . . A 146 ASP N . 19425 1 593 . 1 1 142 142 VAL H H 1 8.224 0.04 . 1 . . . A 147 VAL H . 19425 1 594 . 1 1 142 142 VAL C C 13 174.053 0.40 . 1 . . . A 147 VAL C . 19425 1 595 . 1 1 142 142 VAL CA C 13 60.671 0.40 . 1 . . . A 147 VAL CA . 19425 1 596 . 1 1 142 142 VAL CB C 13 35.326 0.40 . 1 . . . A 147 VAL CB . 19425 1 597 . 1 1 142 142 VAL N N 15 118.8 0.40 . 1 . . . A 147 VAL N . 19425 1 598 . 1 1 143 143 GLY H H 1 8.594 0.04 . 1 . . . A 148 GLY H . 19425 1 599 . 1 1 143 143 GLY C C 13 175.141 0.40 . 1 . . . A 148 GLY C . 19425 1 600 . 1 1 143 143 GLY CA C 13 45.384 0.40 . 1 . . . A 148 GLY CA . 19425 1 601 . 1 1 143 143 GLY N N 15 113.226 0.40 . 1 . . . A 148 GLY N . 19425 1 602 . 1 1 144 144 LEU H H 1 8.303 0.04 . 1 . . . A 149 LEU H . 19425 1 603 . 1 1 144 144 LEU C C 13 170.973 0.40 . 1 . . . A 149 LEU C . 19425 1 604 . 1 1 144 144 LEU CA C 13 53.299 0.40 . 1 . . . A 149 LEU CA . 19425 1 605 . 1 1 144 144 LEU CB C 13 43.938 0.40 . 1 . . . A 149 LEU CB . 19425 1 606 . 1 1 144 144 LEU N N 15 120.88 0.40 . 1 . . . A 149 LEU N . 19425 1 607 . 1 1 145 145 GLN H H 1 9.115 0.04 . 1 . . . A 150 GLN H . 19425 1 608 . 1 1 145 145 GLN C C 13 177.133 0.40 . 1 . . . A 150 GLN C . 19425 1 609 . 1 1 145 145 GLN CA C 13 54.723 0.40 . 1 . . . A 150 GLN CA . 19425 1 610 . 1 1 145 145 GLN CB C 13 32.69 0.40 . 1 . . . A 150 GLN CB . 19425 1 611 . 1 1 145 145 GLN N N 15 118.978 0.40 . 1 . . . A 150 GLN N . 19425 1 612 . 1 1 146 146 GLU H H 1 9.142 0.04 . 1 . . . A 151 GLU H . 19425 1 613 . 1 1 146 146 GLU C C 13 175.333 0.40 . 1 . . . A 151 GLU C . 19425 1 614 . 1 1 146 146 GLU CA C 13 59.14 0.40 . 1 . . . A 151 GLU CA . 19425 1 615 . 1 1 146 146 GLU CB C 13 30.735 0.40 . 1 . . . A 151 GLU CB . 19425 1 616 . 1 1 146 146 GLU N N 15 121.344 0.40 . 1 . . . A 151 GLU N . 19425 1 617 . 1 1 147 147 ASP H H 1 8.023 0.04 . 1 . . . A 152 ASP H . 19425 1 618 . 1 1 147 147 ASP C C 13 176.391 0.40 . 1 . . . A 152 ASP C . 19425 1 619 . 1 1 147 147 ASP CA C 13 54.139 0.40 . 1 . . . A 152 ASP CA . 19425 1 620 . 1 1 147 147 ASP CB C 13 41.92 0.40 . 1 . . . A 152 ASP CB . 19425 1 621 . 1 1 147 147 ASP N N 15 117.494 0.40 . 1 . . . A 152 ASP N . 19425 1 622 . 1 1 148 148 THR H H 1 7.985 0.04 . 1 . . . A 153 THR H . 19425 1 623 . 1 1 148 148 THR C C 13 175.964 0.40 . 1 . . . A 153 THR C . 19425 1 624 . 1 1 148 148 THR CA C 13 61.894 0.40 . 1 . . . A 153 THR CA . 19425 1 625 . 1 1 148 148 THR CB C 13 68.903 0.40 . 1 . . . A 153 THR CB . 19425 1 626 . 1 1 148 148 THR N N 15 111.969 0.40 . 1 . . . A 153 THR N . 19425 1 627 . 1 1 149 149 THR H H 1 7.79 0.04 . 1 . . . A 154 THR H . 19425 1 628 . 1 1 149 149 THR C C 13 175 0.40 . 1 . . . A 154 THR C . 19425 1 629 . 1 1 149 149 THR CA C 13 62.359 0.40 . 1 . . . A 154 THR CA . 19425 1 630 . 1 1 149 149 THR CB C 13 69.21 0.40 . 1 . . . A 154 THR CB . 19425 1 631 . 1 1 149 149 THR N N 15 113.978 0.40 . 1 . . . A 154 THR N . 19425 1 632 . 1 1 150 150 GLY H H 1 7.639 0.04 . 1 . . . A 155 GLY H . 19425 1 633 . 1 1 150 150 GLY C C 13 174.702 0.40 . 1 . . . A 155 GLY C . 19425 1 634 . 1 1 150 150 GLY CA C 13 44.737 0.40 . 1 . . . A 155 GLY CA . 19425 1 635 . 1 1 150 150 GLY N N 15 108.411 0.40 . 1 . . . A 155 GLY N . 19425 1 636 . 1 1 151 151 GLU H H 1 8.606 0.04 . 1 . . . A 156 GLU H . 19425 1 637 . 1 1 151 151 GLU C C 13 173.571 0.40 . 1 . . . A 156 GLU C . 19425 1 638 . 1 1 151 151 GLU CA C 13 59.352 0.40 . 1 . . . A 156 GLU CA . 19425 1 639 . 1 1 151 151 GLU CB C 13 31.248 0.40 . 1 . . . A 156 GLU CB . 19425 1 640 . 1 1 151 151 GLU N N 15 118.666 0.40 . 1 . . . A 156 GLU N . 19425 1 641 . 1 1 152 152 ALA H H 1 8.159 0.04 . 1 . . . A 157 ALA H . 19425 1 642 . 1 1 152 152 ALA C C 13 177.727 0.40 . 1 . . . A 157 ALA C . 19425 1 643 . 1 1 152 152 ALA CA C 13 55.063 0.40 . 1 . . . A 157 ALA CA . 19425 1 644 . 1 1 152 152 ALA CB C 13 18.856 0.40 . 1 . . . A 157 ALA CB . 19425 1 645 . 1 1 152 152 ALA N N 15 118.664 0.40 . 1 . . . A 157 ALA N . 19425 1 646 . 1 1 153 153 CYS H H 1 7.973 0.04 . 1 . . . A 158 CYS H . 19425 1 647 . 1 1 153 153 CYS C C 13 179.972 0.40 . 1 . . . A 158 CYS C . 19425 1 648 . 1 1 153 153 CYS CA C 13 57.585 0.40 . 1 . . . A 158 CYS CA . 19425 1 649 . 1 1 153 153 CYS CB C 13 27.977 0.40 . 1 . . . A 158 CYS CB . 19425 1 650 . 1 1 153 153 CYS N N 15 114.681 0.40 . 1 . . . A 158 CYS N . 19425 1 651 . 1 1 160 160 ALA H H 1 8.19 0.04 . 1 . . . A 165 ALA H . 19425 1 652 . 1 1 160 160 ALA C C 13 176.743 0.40 . 1 . . . A 165 ALA C . 19425 1 653 . 1 1 160 160 ALA CA C 13 52.39 0.40 . 1 . . . A 165 ALA CA . 19425 1 654 . 1 1 160 160 ALA CB C 13 20.486 0.40 . 1 . . . A 165 ALA CB . 19425 1 655 . 1 1 160 160 ALA N N 15 122.416 0.40 . 1 . . . A 165 ALA N . 19425 1 656 . 1 1 161 161 SER H H 1 7.69 0.04 . 1 . . . A 166 SER H . 19425 1 657 . 1 1 161 161 SER C C 13 176.876 0.40 . 1 . . . A 166 SER C . 19425 1 658 . 1 1 161 161 SER CA C 13 56.863 0.40 . 1 . . . A 166 SER CA . 19425 1 659 . 1 1 161 161 SER CB C 13 65.738 0.40 . 1 . . . A 166 SER CB . 19425 1 660 . 1 1 161 161 SER N N 15 111.681 0.40 . 1 . . . A 166 SER N . 19425 1 661 . 1 1 162 162 LYS H H 1 8.23 0.04 . 1 . . . A 167 LYS H . 19425 1 662 . 1 1 162 162 LYS C C 13 175.241 0.40 . 1 . . . A 167 LYS C . 19425 1 663 . 1 1 162 162 LYS CA C 13 55.297 0.40 . 1 . . . A 167 LYS CA . 19425 1 664 . 1 1 162 162 LYS CB C 13 31.364 0.40 . 1 . . . A 167 LYS CB . 19425 1 665 . 1 1 162 162 LYS N N 15 121.655 0.40 . 1 . . . A 167 LYS N . 19425 1 666 . 1 1 163 163 GLN H H 1 8.134 0.04 . 1 . . . A 168 GLN H . 19425 1 667 . 1 1 163 163 GLN C C 13 176.836 0.40 . 1 . . . A 168 GLN C . 19425 1 668 . 1 1 163 163 GLN CA C 13 57.366 0.40 . 1 . . . A 168 GLN CA . 19425 1 669 . 1 1 163 163 GLN CB C 13 28.979 0.40 . 1 . . . A 168 GLN CB . 19425 1 670 . 1 1 163 163 GLN N N 15 117.832 0.40 . 1 . . . A 168 GLN N . 19425 1 671 . 1 1 164 164 ARG H H 1 7.209 0.04 . 1 . . . A 169 ARG H . 19425 1 672 . 1 1 164 164 ARG C C 13 175.946 0.40 . 1 . . . A 169 ARG C . 19425 1 673 . 1 1 164 164 ARG CA C 13 52.885 0.40 . 1 . . . A 169 ARG CA . 19425 1 674 . 1 1 164 164 ARG CB C 13 32.795 0.40 . 1 . . . A 169 ARG CB . 19425 1 675 . 1 1 164 164 ARG N N 15 117.052 0.40 . 1 . . . A 169 ARG N . 19425 1 676 . 1 1 165 165 SER H H 1 8.279 0.04 . 1 . . . A 170 SER H . 19425 1 677 . 1 1 165 165 SER C C 13 174.387 0.40 . 1 . . . A 170 SER C . 19425 1 678 . 1 1 165 165 SER CA C 13 56.976 0.40 . 1 . . . A 170 SER CA . 19425 1 679 . 1 1 165 165 SER CB C 13 66.348 0.40 . 1 . . . A 170 SER CB . 19425 1 680 . 1 1 165 165 SER N N 15 114.335 0.40 . 1 . . . A 170 SER N . 19425 1 681 . 1 1 166 166 GLU H H 1 8.54 0.04 . 1 . . . A 171 GLU H . 19425 1 682 . 1 1 166 166 GLU C C 13 173.293 0.40 . 1 . . . A 171 GLU C . 19425 1 683 . 1 1 166 166 GLU CA C 13 58.658 0.40 . 1 . . . A 171 GLU CA . 19425 1 684 . 1 1 166 166 GLU CB C 13 28.693 0.40 . 1 . . . A 171 GLU CB . 19425 1 685 . 1 1 166 166 GLU N N 15 121.428 0.40 . 1 . . . A 171 GLU N . 19425 1 686 . 1 1 167 167 GLY H H 1 8.676 0.04 . 1 . . . A 172 GLY H . 19425 1 687 . 1 1 167 167 GLY C C 13 177.504 0.40 . 1 . . . A 172 GLY C . 19425 1 688 . 1 1 167 167 GLY CA C 13 45.452 0.40 . 1 . . . A 172 GLY CA . 19425 1 689 . 1 1 167 167 GLY N N 15 113.162 0.40 . 1 . . . A 172 GLY N . 19425 1 690 . 1 1 168 168 GLU H H 1 7.805 0.04 . 1 . . . A 173 GLU H . 19425 1 691 . 1 1 168 168 GLU C C 13 173.311 0.40 . 1 . . . A 173 GLU C . 19425 1 692 . 1 1 168 168 GLU CA C 13 55.689 0.40 . 1 . . . A 173 GLU CA . 19425 1 693 . 1 1 168 168 GLU CB C 13 31.204 0.40 . 1 . . . A 173 GLU CB . 19425 1 694 . 1 1 168 168 GLU N N 15 119.545 0.40 . 1 . . . A 173 GLU N . 19425 1 695 . 1 1 169 169 LYS H H 1 8.215 0.04 . 1 . . . A 174 LYS H . 19425 1 696 . 1 1 169 169 LYS C C 13 175.352 0.40 . 1 . . . A 174 LYS C . 19425 1 697 . 1 1 169 169 LYS CA C 13 57.207 0.40 . 1 . . . A 174 LYS CA . 19425 1 698 . 1 1 169 169 LYS CB C 13 34.185 0.40 . 1 . . . A 174 LYS CB . 19425 1 699 . 1 1 169 169 LYS N N 15 120.834 0.40 . 1 . . . A 174 LYS N . 19425 1 700 . 1 1 170 170 VAL H H 1 7.914 0.04 . 1 . . . A 175 VAL H . 19425 1 701 . 1 1 170 170 VAL C C 13 176.595 0.40 . 1 . . . A 175 VAL C . 19425 1 702 . 1 1 170 170 VAL CA C 13 63.046 0.40 . 1 . . . A 175 VAL CA . 19425 1 703 . 1 1 170 170 VAL CB C 13 31.265 0.40 . 1 . . . A 175 VAL CB . 19425 1 704 . 1 1 170 170 VAL N N 15 122.529 0.40 . 1 . . . A 175 VAL N . 19425 1 705 . 1 1 171 171 ARG H H 1 7.57 0.04 . 1 . . . A 176 ARG H . 19425 1 706 . 1 1 171 171 ARG C C 13 175.742 0.40 . 1 . . . A 176 ARG C . 19425 1 707 . 1 1 171 171 ARG CA C 13 55.767 0.40 . 1 . . . A 176 ARG CA . 19425 1 708 . 1 1 171 171 ARG CB C 13 30.48 0.40 . 1 . . . A 176 ARG CB . 19425 1 709 . 1 1 171 171 ARG N N 15 127.622 0.40 . 1 . . . A 176 ARG N . 19425 1 710 . 1 1 172 172 VAL H H 1 8.276 0.04 . 1 . . . A 177 VAL H . 19425 1 711 . 1 1 172 172 VAL C C 13 177.523 0.40 . 1 . . . A 177 VAL C . 19425 1 712 . 1 1 172 172 VAL CA C 13 65.322 0.40 . 1 . . . A 177 VAL CA . 19425 1 713 . 1 1 172 172 VAL CB C 13 31.431 0.40 . 1 . . . A 177 VAL CB . 19425 1 714 . 1 1 172 172 VAL N N 15 122.521 0.40 . 1 . . . A 177 VAL N . 19425 1 715 . 1 1 174 174 ASP H H 1 7.848 0.04 . 1 . . . A 179 ASP H . 19425 1 716 . 1 1 174 174 ASP C C 13 174.554 0.40 . 1 . . . A 179 ASP C . 19425 1 717 . 1 1 174 174 ASP CA C 13 54.687 0.40 . 1 . . . A 179 ASP CA . 19425 1 718 . 1 1 174 174 ASP CB C 13 40.417 0.40 . 1 . . . A 179 ASP CB . 19425 1 719 . 1 1 174 174 ASP N N 15 122.577 0.40 . 1 . . . A 179 ASP N . 19425 1 720 . 1 1 175 175 ASP H H 1 8.521 0.04 . 1 . . . A 180 ASP H . 19425 1 721 . 1 1 175 175 ASP C C 13 174.61 0.40 . 1 . . . A 180 ASP C . 19425 1 722 . 1 1 175 175 ASP CA C 13 54.379 0.40 . 1 . . . A 180 ASP CA . 19425 1 723 . 1 1 175 175 ASP CB C 13 42.178 0.40 . 1 . . . A 180 ASP CB . 19425 1 724 . 1 1 175 175 ASP N N 15 121.916 0.40 . 1 . . . A 180 ASP N . 19425 1 725 . 1 1 176 176 LEU H H 1 9.782 0.04 . 1 . . . A 181 LEU H . 19425 1 726 . 1 1 176 176 LEU C C 13 175.166 0.40 . 1 . . . A 181 LEU C . 19425 1 727 . 1 1 176 176 LEU CA C 13 54.379 0.40 . 1 . . . A 181 LEU CA . 19425 1 728 . 1 1 176 176 LEU CB C 13 45.395 0.40 . 1 . . . A 181 LEU CB . 19425 1 729 . 1 1 176 176 LEU N N 15 121.499 0.40 . 1 . . . A 181 LEU N . 19425 1 730 . 1 1 180 180 SER H H 1 9.183 0.04 . 1 . . . A 185 SER H . 19425 1 731 . 1 1 180 180 SER C C 13 175.871 0.40 . 1 . . . A 185 SER C . 19425 1 732 . 1 1 180 180 SER CA C 13 57.514 0.40 . 1 . . . A 185 SER CA . 19425 1 733 . 1 1 180 180 SER CB C 13 62.772 0.40 . 1 . . . A 185 SER CB . 19425 1 734 . 1 1 180 180 SER N N 15 122.939 0.40 . 1 . . . A 185 SER N . 19425 1 735 . 1 1 181 181 VAL H H 1 8.285 0.04 . 1 . . . A 186 VAL H . 19425 1 736 . 1 1 181 181 VAL C C 13 177.226 0.40 . 1 . . . A 186 VAL C . 19425 1 737 . 1 1 181 181 VAL CA C 13 65.883 0.40 . 1 . . . A 186 VAL CA . 19425 1 738 . 1 1 181 181 VAL CB C 13 31.19 0.40 . 1 . . . A 186 VAL CB . 19425 1 739 . 1 1 181 181 VAL N N 15 131.799 0.40 . 1 . . . A 186 VAL N . 19425 1 740 . 1 1 182 182 SER H H 1 7 0.04 . 1 . . . A 187 SER H . 19425 1 741 . 1 1 182 182 SER C C 13 177.077 0.40 . 1 . . . A 187 SER C . 19425 1 742 . 1 1 182 182 SER CA C 13 60.2 0.40 . 1 . . . A 187 SER CA . 19425 1 743 . 1 1 182 182 SER CB C 13 62.264 0.40 . 1 . . . A 187 SER CB . 19425 1 744 . 1 1 182 182 SER N N 15 110.228 0.40 . 1 . . . A 187 SER N . 19425 1 745 . 1 1 183 183 SER H H 1 7.886 0.04 . 1 . . . A 188 SER H . 19425 1 746 . 1 1 183 183 SER C C 13 176.632 0.40 . 1 . . . A 188 SER C . 19425 1 747 . 1 1 183 183 SER CA C 13 58.889 0.40 . 1 . . . A 188 SER CA . 19425 1 748 . 1 1 183 183 SER CB C 13 66.818 0.40 . 1 . . . A 188 SER CB . 19425 1 749 . 1 1 183 183 SER N N 15 115.022 0.40 . 1 . . . A 188 SER N . 19425 1 750 . 1 1 184 184 GLU H H 1 7.929 0.04 . 1 . . . A 189 GLU H . 19425 1 751 . 1 1 184 184 GLU C C 13 175 0.40 . 1 . . . A 189 GLU C . 19425 1 752 . 1 1 184 184 GLU CA C 13 58.562 0.40 . 1 . . . A 189 GLU CA . 19425 1 753 . 1 1 184 184 GLU CB C 13 27.42 0.40 . 1 . . . A 189 GLU CB . 19425 1 754 . 1 1 184 184 GLU N N 15 118.477 0.40 . 1 . . . A 189 GLU N . 19425 1 755 . 1 1 185 185 ARG H H 1 6.723 0.04 . 1 . . . A 190 ARG H . 19425 1 756 . 1 1 185 185 ARG C C 13 173.868 0.40 . 1 . . . A 190 ARG C . 19425 1 757 . 1 1 185 185 ARG CA C 13 54.238 0.40 . 1 . . . A 190 ARG CA . 19425 1 758 . 1 1 185 185 ARG CB C 13 32.141 0.40 . 1 . . . A 190 ARG CB . 19425 1 759 . 1 1 185 185 ARG N N 15 116.828 0.40 . 1 . . . A 190 ARG N . 19425 1 760 . 1 1 186 186 TYR H H 1 8.912 0.04 . 1 . . . A 191 TYR H . 19425 1 761 . 1 1 186 186 TYR C C 13 174.368 0.40 . 1 . . . A 191 TYR C . 19425 1 762 . 1 1 186 186 TYR CA C 13 57.405 0.40 . 1 . . . A 191 TYR CA . 19425 1 763 . 1 1 186 186 TYR CB C 13 39.444 0.40 . 1 . . . A 191 TYR CB . 19425 1 764 . 1 1 186 186 TYR N N 15 118.733 0.40 . 1 . . . A 191 TYR N . 19425 1 765 . 1 1 187 187 LEU H H 1 8.836 0.04 . 1 . . . A 192 LEU H . 19425 1 766 . 1 1 187 187 LEU C C 13 176.753 0.40 . 1 . . . A 192 LEU C . 19425 1 767 . 1 1 187 187 LEU CA C 13 57.061 0.40 . 1 . . . A 192 LEU CA . 19425 1 768 . 1 1 187 187 LEU CB C 13 41.351 0.40 . 1 . . . A 192 LEU CB . 19425 1 769 . 1 1 187 187 LEU N N 15 123.46 0.40 . 1 . . . A 192 LEU N . 19425 1 770 . 1 1 188 188 HIS H H 1 10.227 0.04 . 1 . . . A 193 HIS H . 19425 1 771 . 1 1 188 188 HIS C C 13 178.766 0.40 . 1 . . . A 193 HIS C . 19425 1 772 . 1 1 188 188 HIS CA C 13 56.349 0.40 . 1 . . . A 193 HIS CA . 19425 1 773 . 1 1 188 188 HIS CB C 13 31.613 0.40 . 1 . . . A 193 HIS CB . 19425 1 774 . 1 1 188 188 HIS N N 15 134.195 0.40 . 1 . . . A 193 HIS N . 19425 1 775 . 1 1 189 189 LEU H H 1 7.784 0.04 . 1 . . . A 194 LEU H . 19425 1 776 . 1 1 189 189 LEU C C 13 170.268 0.40 . 1 . . . A 194 LEU C . 19425 1 777 . 1 1 189 189 LEU CA C 13 54.139 0.40 . 1 . . . A 194 LEU CA . 19425 1 778 . 1 1 189 189 LEU CB C 13 44.036 0.40 . 1 . . . A 194 LEU CB . 19425 1 779 . 1 1 189 189 LEU N N 15 128.5 0.40 . 1 . . . A 194 LEU N . 19425 1 780 . 1 1 190 190 SER H H 1 9.042 0.04 . 1 . . . A 195 SER H . 19425 1 781 . 1 1 190 190 SER C C 13 174.74 0.40 . 1 . . . A 195 SER C . 19425 1 782 . 1 1 190 190 SER CA C 13 56.814 0.40 . 1 . . . A 195 SER CA . 19425 1 783 . 1 1 190 190 SER CB C 13 66.26 0.40 . 1 . . . A 195 SER CB . 19425 1 784 . 1 1 190 190 SER N N 15 122.195 0.40 . 1 . . . A 195 SER N . 19425 1 785 . 1 1 191 191 TYR H H 1 8.657 0.04 . 1 . . . A 196 TYR H . 19425 1 786 . 1 1 191 191 TYR C C 13 172.439 0.40 . 1 . . . A 196 TYR C . 19425 1 787 . 1 1 191 191 TYR CA C 13 57.019 0.40 . 1 . . . A 196 TYR CA . 19425 1 788 . 1 1 191 191 TYR CB C 13 39.817 0.40 . 1 . . . A 196 TYR CB . 19425 1 789 . 1 1 191 191 TYR N N 15 124.809 0.40 . 1 . . . A 196 TYR N . 19425 1 790 . 1 1 192 192 GLY H H 1 8.03 0.04 . 1 . . . A 197 GLY H . 19425 1 791 . 1 1 192 192 GLY C C 13 176.113 0.40 . 1 . . . A 197 GLY C . 19425 1 792 . 1 1 192 192 GLY CA C 13 45.492 0.40 . 1 . . . A 197 GLY CA . 19425 1 793 . 1 1 192 192 GLY N N 15 114.111 0.40 . 1 . . . A 197 GLY N . 19425 1 794 . 1 1 195 195 SER H H 1 6.893 0.04 . 1 . . . A 200 SER H . 19425 1 795 . 1 1 195 195 SER C C 13 172.661 0.40 . 1 . . . A 200 SER C . 19425 1 796 . 1 1 195 195 SER CA C 13 56.89 0.40 . 1 . . . A 200 SER CA . 19425 1 797 . 1 1 195 195 SER CB C 13 65.522 0.40 . 1 . . . A 200 SER CB . 19425 1 798 . 1 1 195 195 SER N N 15 113.158 0.40 . 1 . . . A 200 SER N . 19425 1 799 . 1 1 196 196 TRP H H 1 8.243 0.04 . 1 . . . A 201 TRP H . 19425 1 800 . 1 1 196 196 TRP C C 13 171.813 0.40 . 1 . . . A 201 TRP C . 19425 1 801 . 1 1 196 196 TRP CA C 13 56.99 0.40 . 1 . . . A 201 TRP CA . 19425 1 802 . 1 1 196 196 TRP CB C 13 31.501 0.40 . 1 . . . A 201 TRP CB . 19425 1 803 . 1 1 196 196 TRP N N 15 122.521 0.40 . 1 . . . A 201 TRP N . 19425 1 804 . 1 1 197 197 HIS H H 1 9.383 0.04 . 1 . . . A 202 HIS H . 19425 1 805 . 1 1 197 197 HIS C C 13 173.805 0.40 . 1 . . . A 202 HIS C . 19425 1 806 . 1 1 197 197 HIS CA C 13 55.169 0.40 . 1 . . . A 202 HIS CA . 19425 1 807 . 1 1 197 197 HIS CB C 13 32.254 0.40 . 1 . . . A 202 HIS CB . 19425 1 808 . 1 1 197 197 HIS N N 15 121.171 0.40 . 1 . . . A 202 HIS N . 19425 1 809 . 1 1 198 198 VAL H H 1 8.649 0.04 . 1 . . . A 203 VAL H . 19425 1 810 . 1 1 198 198 VAL C C 13 172.439 0.40 . 1 . . . A 203 VAL C . 19425 1 811 . 1 1 198 198 VAL CA C 13 58.683 0.40 . 1 . . . A 203 VAL CA . 19425 1 812 . 1 1 198 198 VAL CB C 13 33.957 0.40 . 1 . . . A 203 VAL CB . 19425 1 813 . 1 1 198 198 VAL N N 15 119.943 0.40 . 1 . . . A 203 VAL N . 19425 1 814 . 1 1 199 199 ASP H H 1 9.822 0.04 . 1 . . . A 204 ASP H . 19425 1 815 . 1 1 199 199 ASP C C 13 173.162 0.40 . 1 . . . A 204 ASP C . 19425 1 816 . 1 1 199 199 ASP CA C 13 53.545 0.40 . 1 . . . A 204 ASP CA . 19425 1 817 . 1 1 199 199 ASP CB C 13 42.169 0.40 . 1 . . . A 204 ASP CB . 19425 1 818 . 1 1 199 199 ASP N N 15 127.907 0.40 . 1 . . . A 204 ASP N . 19425 1 819 . 1 1 200 200 ALA H H 1 9.176 0.04 . 1 . . . A 205 ALA H . 19425 1 820 . 1 1 200 200 ALA C C 13 172.754 0.40 . 1 . . . A 205 ALA C . 19425 1 821 . 1 1 200 200 ALA CA C 13 50.147 0.40 . 1 . . . A 205 ALA CA . 19425 1 822 . 1 1 200 200 ALA CB C 13 19.642 0.40 . 1 . . . A 205 ALA CB . 19425 1 823 . 1 1 200 200 ALA N N 15 121.047 0.40 . 1 . . . A 205 ALA N . 19425 1 824 . 1 1 201 201 ALA H H 1 9.088 0.04 . 1 . . . A 206 ALA H . 19425 1 825 . 1 1 201 201 ALA C C 13 176.465 0.40 . 1 . . . A 206 ALA C . 19425 1 826 . 1 1 201 201 ALA CA C 13 50.609 0.40 . 1 . . . A 206 ALA CA . 19425 1 827 . 1 1 201 201 ALA CB C 13 23.819 0.40 . 1 . . . A 206 ALA CB . 19425 1 828 . 1 1 201 201 ALA N N 15 127.318 0.40 . 1 . . . A 206 ALA N . 19425 1 829 . 1 1 202 202 PHE H H 1 8.953 0.04 . 1 . . . A 207 PHE H . 19425 1 830 . 1 1 202 202 PHE C C 13 176.576 0.40 . 1 . . . A 207 PHE C . 19425 1 831 . 1 1 202 202 PHE CA C 13 59.714 0.40 . 1 . . . A 207 PHE CA . 19425 1 832 . 1 1 202 202 PHE CB C 13 38.239 0.40 . 1 . . . A 207 PHE CB . 19425 1 833 . 1 1 202 202 PHE N N 15 117.878 0.40 . 1 . . . A 207 PHE N . 19425 1 834 . 1 1 203 203 GLN H H 1 6.613 0.04 . 1 . . . A 208 GLN H . 19425 1 835 . 1 1 203 203 GLN C C 13 175.166 0.40 . 1 . . . A 208 GLN C . 19425 1 836 . 1 1 203 203 GLN CA C 13 55.096 0.40 . 1 . . . A 208 GLN CA . 19425 1 837 . 1 1 203 203 GLN CB C 13 30.437 0.40 . 1 . . . A 208 GLN CB . 19425 1 838 . 1 1 203 203 GLN N N 15 117.531 0.40 . 1 . . . A 208 GLN N . 19425 1 839 . 1 1 204 204 GLN H H 1 8.108 0.04 . 1 . . . A 209 GLN H . 19425 1 840 . 1 1 204 204 GLN C C 13 173.162 0.40 . 1 . . . A 209 GLN C . 19425 1 841 . 1 1 204 204 GLN CA C 13 56.217 0.40 . 1 . . . A 209 GLN CA . 19425 1 842 . 1 1 204 204 GLN CB C 13 29.912 0.40 . 1 . . . A 209 GLN CB . 19425 1 843 . 1 1 204 204 GLN N N 15 117.318 0.40 . 1 . . . A 209 GLN N . 19425 1 844 . 1 1 205 205 THR H H 1 6.641 0.04 . 1 . . . A 210 THR H . 19425 1 845 . 1 1 205 205 THR C C 13 176.15 0.40 . 1 . . . A 210 THR C . 19425 1 846 . 1 1 205 205 THR CA C 13 62.848 0.40 . 1 . . . A 210 THR CA . 19425 1 847 . 1 1 205 205 THR CB C 13 73.244 0.40 . 1 . . . A 210 THR CB . 19425 1 848 . 1 1 205 205 THR N N 15 116.616 0.40 . 1 . . . A 210 THR N . 19425 1 849 . 1 1 206 206 LEU H H 1 8.418 0.04 . 1 . . . A 211 LEU H . 19425 1 850 . 1 1 206 206 LEU C C 13 171.418 0.40 . 1 . . . A 211 LEU C . 19425 1 851 . 1 1 206 206 LEU CA C 13 55.012 0.40 . 1 . . . A 211 LEU CA . 19425 1 852 . 1 1 206 206 LEU CB C 13 41.627 0.40 . 1 . . . A 211 LEU CB . 19425 1 853 . 1 1 206 206 LEU N N 15 126.776 0.40 . 1 . . . A 211 LEU N . 19425 1 854 . 1 1 207 207 TRP H H 1 9.462 0.04 . 1 . . . A 212 TRP H . 19425 1 855 . 1 1 207 207 TRP C C 13 175.742 0.40 . 1 . . . A 212 TRP C . 19425 1 856 . 1 1 207 207 TRP CA C 13 56.052 0.40 . 1 . . . A 212 TRP CA . 19425 1 857 . 1 1 207 207 TRP CB C 13 31.169 0.40 . 1 . . . A 212 TRP CB . 19425 1 858 . 1 1 207 207 TRP N N 15 124.678 0.40 . 1 . . . A 212 TRP N . 19425 1 859 . 1 1 208 208 SER H H 1 9.642 0.04 . 1 . . . A 213 SER H . 19425 1 860 . 1 1 208 208 SER C C 13 175.575 0.40 . 1 . . . A 213 SER C . 19425 1 861 . 1 1 208 208 SER CA C 13 57.141 0.40 . 1 . . . A 213 SER CA . 19425 1 862 . 1 1 208 208 SER CB C 13 64.8 0.40 . 1 . . . A 213 SER CB . 19425 1 863 . 1 1 208 208 SER N N 15 118.197 0.40 . 1 . . . A 213 SER N . 19425 1 864 . 1 1 209 209 VAL H H 1 8.433 0.04 . 1 . . . A 214 VAL H . 19425 1 865 . 1 1 209 209 VAL C C 13 174.183 0.40 . 1 . . . A 214 VAL C . 19425 1 866 . 1 1 209 209 VAL CA C 13 61.398 0.40 . 1 . . . A 214 VAL CA . 19425 1 867 . 1 1 209 209 VAL CB C 13 32.502 0.40 . 1 . . . A 214 VAL CB . 19425 1 868 . 1 1 209 209 VAL N N 15 125.581 0.40 . 1 . . . A 214 VAL N . 19425 1 869 . 1 1 210 210 ALA H H 1 8.572 0.04 . 1 . . . A 215 ALA H . 19425 1 870 . 1 1 210 210 ALA C C 13 174.647 0.40 . 1 . . . A 215 ALA C . 19425 1 871 . 1 1 210 210 ALA CA C 13 49.058 0.40 . 1 . . . A 215 ALA CA . 19425 1 872 . 1 1 210 210 ALA CB C 13 20.299 0.40 . 1 . . . A 215 ALA CB . 19425 1 873 . 1 1 210 210 ALA N N 15 130.074 0.40 . 1 . . . A 215 ALA N . 19425 1 874 . 1 1 212 212 ILE H H 1 8.463 0.04 . 1 . . . A 217 ILE H . 19425 1 875 . 1 1 212 212 ILE C C 13 177.319 0.40 . 1 . . . A 217 ILE C . 19425 1 876 . 1 1 212 212 ILE CA C 13 61.331 0.40 . 1 . . . A 217 ILE CA . 19425 1 877 . 1 1 212 212 ILE CB C 13 38.359 0.40 . 1 . . . A 217 ILE CB . 19425 1 878 . 1 1 212 212 ILE N N 15 121.948 0.40 . 1 . . . A 217 ILE N . 19425 1 879 . 1 1 213 213 SER H H 1 8.334 0.04 . 1 . . . . 218 SER H . 19425 1 880 . 1 1 213 213 SER C C 13 176.311 0.40 . 1 . . . . 218 SER C . 19425 1 881 . 1 1 213 213 SER CA C 13 57.979 0.40 . 1 . . . . 218 SER CA . 19425 1 882 . 1 1 213 213 SER CB C 13 64.049 0.40 . 1 . . . . 218 SER CB . 19425 1 883 . 1 1 213 213 SER N N 15 119.001 0.40 . 1 . . . . 218 SER N . 19425 1 884 . 1 1 214 214 SER H H 1 8.501 0.04 . 1 . . . . 219 SER H . 19425 1 885 . 1 1 214 214 SER C C 13 174.443 0.40 . 1 . . . . 219 SER C . 19425 1 886 . 1 1 214 214 SER CA C 13 58.625 0.40 . 1 . . . . 219 SER CA . 19425 1 887 . 1 1 214 214 SER CB C 13 64.728 0.40 . 1 . . . . 219 SER CB . 19425 1 888 . 1 1 214 214 SER N N 15 119.135 0.40 . 1 . . . . 219 SER N . 19425 1 889 . 1 1 215 215 GLY H H 1 8.497 0.04 . 1 . . . . 220 GLY H . 19425 1 890 . 1 1 215 215 GLY C C 13 175.111 0.40 . 1 . . . . 220 GLY C . 19425 1 891 . 1 1 215 215 GLY CA C 13 45.588 0.40 . 1 . . . . 220 GLY CA . 19425 1 892 . 1 1 215 215 GLY N N 15 111.634 0.40 . 1 . . . . 220 GLY N . 19425 1 893 . 1 1 216 216 SER H H 1 8.247 0.04 . 1 . . . . 221 SER H . 19425 1 894 . 1 1 216 216 SER C C 13 174.313 0.40 . 1 . . . . 221 SER C . 19425 1 895 . 1 1 216 216 SER CA C 13 58.641 0.40 . 1 . . . . 221 SER CA . 19425 1 896 . 1 1 216 216 SER CB C 13 63.988 0.40 . 1 . . . . 221 SER CB . 19425 1 897 . 1 1 216 216 SER N N 15 116.146 0.40 . 1 . . . . 221 SER N . 19425 1 898 . 1 1 217 217 GLU H H 1 8.516 0.04 . 1 . . . . 222 GLU H . 19425 1 899 . 1 1 217 217 GLU C C 13 174.573 0.40 . 1 . . . . 222 GLU C . 19425 1 900 . 1 1 217 217 GLU CA C 13 56.679 0.40 . 1 . . . . 222 GLU CA . 19425 1 901 . 1 1 217 217 GLU CB C 13 30.233 0.40 . 1 . . . . 222 GLU CB . 19425 1 902 . 1 1 217 217 GLU N N 15 123.229 0.40 . 1 . . . . 222 GLU N . 19425 1 903 . 1 1 218 218 ALA H H 1 8.242 0.04 . 1 . . . . 223 ALA H . 19425 1 904 . 1 1 218 218 ALA C C 13 176.038 0.40 . 1 . . . . 223 ALA C . 19425 1 905 . 1 1 218 218 ALA CA C 13 52.456 0.40 . 1 . . . . 223 ALA CA . 19425 1 906 . 1 1 218 218 ALA CB C 13 19.106 0.40 . 1 . . . . 223 ALA CB . 19425 1 907 . 1 1 218 218 ALA N N 15 125.991 0.40 . 1 . . . . 223 ALA N . 19425 1 908 . 1 1 219 219 ALA H H 1 7.914 0.04 . 1 . . . . 224 ALA H . 19425 1 909 . 1 1 219 219 ALA C C 13 176.391 0.40 . 1 . . . . 224 ALA C . 19425 1 910 . 1 1 219 219 ALA CA C 13 54.007 0.40 . 1 . . . . 224 ALA CA . 19425 1 911 . 1 1 219 219 ALA N N 15 130.099 0.40 . 1 . . . . 224 ALA N . 19425 1 stop_ save_