data_11001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11001 _Entry.Title ; Solution structure of Cu(I) loaded human Sco2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-11 _Entry.Accession_date 2007-07-14 _Entry.Last_release_date 2008-03-13 _Entry.Original_release_date 2008-03-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Lucia Banci . . . 11001 2 Ivano Bertini . . . 11001 3 Simone Ciofi-baffoni . . . 11001 4 Ioannis Gerothanassis . P. . 11001 5 Iliana Leontari . . . 11001 6 Manuele Martinelli . . . 11001 7 Shenlin Wang . . . 11001 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Copper protein' . 11001 'Metal transport' . 11001 'thioredoxin fold' . 11001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 650 11001 '15N chemical shifts' 182 11001 '1H chemical shifts' 1121 11001 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-03-13 2007-07-11 original author . 11001 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17850752 _Citation.Full_citation . _Citation.Title 'A structural characterization of human SCO2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 9 _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 1132 _Citation.Page_last 1140 _Citation.Year 2007 _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 Lucia Banci . . . 11001 1 2 Ivano Bertini . . . 11001 1 3 Simone Ciofi-baffoni . . . 11001 1 4 Ioannis Gerothanassis . P. . 11001 1 5 Iliana Leontari . . . 11001 1 6 Manuele Martinelli . . . 11001 1 7 Shenlin Wang . . . 11001 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11001 _Assembly.ID 1 _Assembly.Name Cu(I)HSco2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 HSco2 1 $HSco2 A . yes native no no . . . 11001 1 2 'COPPER (I) ION' 2 $CU1 B . no native no no . . . 11001 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 2 'COPPER (I) ION' 2 CU1 1 1 CU1 . 1 HSco2 1 CYS 37 37 SG . . . . . . . 37 CYS SG 11001 1 2 coordination SING . 2 'COPPER (I) ION' 2 CU1 1 1 CU1 . 1 HSco2 1 CYS 41 41 SG . . . . . . . 41 CYS SG 11001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSco2 _Entity.Sf_category entity _Entity.Sf_framecode HSco2 _Entity.Entry_ID 11001 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSco2 _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 ; SFTGQGDFHLLDHRGRARCK ADFRGQWVLMYFGFTHCPDI CPDELEKLVQVVRQLEAEPG LPPVQPVFITVDPERDDVEA MARYVQDFHPRLLGLTGSTK QVAQASHSYRVYYNAGPKDE DQDYIVDHSIAIYLLNPDGL FTDYYGRSRSAEQISDSVRR HMAAFRSVLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19446.004 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; His224(128 in the report) is protonated on the Nd1 atom. His105, His109, His185, and His257(9,13,89 and 161 in the report) are protonated on the Ne2 atom. His 132 and His 203(36 and 107 in the report) are protonated on both Nd1 and Ne2 atoms. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RLI . "Solution Structure Of Cu(i) Human Sco2" . . . . . 100.00 171 100.00 100.00 1.46e-121 . . . . 11001 1 2 no DBJ BAI46393 . "SCO cytochrome oxidase deficient homolog 2 [synthetic construct]" . . . . . 98.82 266 99.40 99.40 5.33e-119 . . . . 11001 1 3 no EMBL CAA16671 . "unnamed protein product [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 5.33e-119 . . . . 11001 1 4 no EMBL CAG30455 . "SCO2 [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 5.33e-119 . . . . 11001 1 5 no EMBL CAK54599 . "SCO2 [synthetic construct]" . . . . . 98.82 266 99.40 99.40 5.33e-119 . . . . 11001 1 6 no EMBL CAK54898 . "SCO2 [synthetic construct]" . . . . . 98.82 266 99.40 99.40 5.33e-119 . . . . 11001 1 7 no GB AAF05313 . "cytochrome c oxidase assembly protein isoform 2 [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 8 no GB AAI02025 . "Cytochrome oxidase deficient homolog 2 [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 9 no GB AAI02026 . "SCO cytochrome oxidase deficient homolog 2 (yeast) [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 10 no GB AIC50475 . "SCO2, partial [synthetic construct]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 11 no GB AKI71892 . "SCO2, partial [synthetic construct]" . . . . . 98.82 266 98.81 98.81 2.33e-117 . . . . 11001 1 12 no REF NP_001162580 . "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 13 no REF NP_001162581 . "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 14 no REF NP_001162582 . "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 15 no REF NP_005129 . "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 1 16 no REF XP_003317370 . "PREDICTED: protein SCO2 homolog, mitochondrial [Pan troglodytes]" . . . . . 98.82 266 98.21 99.40 7.56e-118 . . . . 11001 1 17 no SP O43819 . "RecName: Full=Protein SCO2 homolog, mitochondrial; Flags: Precursor" . . . . . 98.82 266 99.40 99.40 4.15e-119 . . . . 11001 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 97 SER . 11001 1 2 98 PHE . 11001 1 3 99 THR . 11001 1 4 100 GLY . 11001 1 5 101 GLN . 11001 1 6 102 GLY . 11001 1 7 103 ASP . 11001 1 8 104 PHE . 11001 1 9 105 HIS . 11001 1 10 106 LEU . 11001 1 11 107 LEU . 11001 1 12 108 ASP . 11001 1 13 109 HIS . 11001 1 14 110 ARG . 11001 1 15 111 GLY . 11001 1 16 112 ARG . 11001 1 17 113 ALA . 11001 1 18 114 ARG . 11001 1 19 115 CYS . 11001 1 20 116 LYS . 11001 1 21 117 ALA . 11001 1 22 118 ASP . 11001 1 23 119 PHE . 11001 1 24 120 ARG . 11001 1 25 121 GLY . 11001 1 26 122 GLN . 11001 1 27 123 TRP . 11001 1 28 124 VAL . 11001 1 29 125 LEU . 11001 1 30 126 MET . 11001 1 31 127 TYR . 11001 1 32 128 PHE . 11001 1 33 129 GLY . 11001 1 34 130 PHE . 11001 1 35 131 THR . 11001 1 36 132 HIS . 11001 1 37 133 CYS . 11001 1 38 134 PRO . 11001 1 39 135 ASP . 11001 1 40 136 ILE . 11001 1 41 137 CYS . 11001 1 42 138 PRO . 11001 1 43 139 ASP . 11001 1 44 140 GLU . 11001 1 45 141 LEU . 11001 1 46 142 GLU . 11001 1 47 143 LYS . 11001 1 48 144 LEU . 11001 1 49 145 VAL . 11001 1 50 146 GLN . 11001 1 51 147 VAL . 11001 1 52 148 VAL . 11001 1 53 149 ARG . 11001 1 54 150 GLN . 11001 1 55 151 LEU . 11001 1 56 152 GLU . 11001 1 57 153 ALA . 11001 1 58 154 GLU . 11001 1 59 155 PRO . 11001 1 60 156 GLY . 11001 1 61 157 LEU . 11001 1 62 158 PRO . 11001 1 63 159 PRO . 11001 1 64 160 VAL . 11001 1 65 161 GLN . 11001 1 66 162 PRO . 11001 1 67 163 VAL . 11001 1 68 164 PHE . 11001 1 69 165 ILE . 11001 1 70 166 THR . 11001 1 71 167 VAL . 11001 1 72 168 ASP . 11001 1 73 169 PRO . 11001 1 74 170 GLU . 11001 1 75 171 ARG . 11001 1 76 172 ASP . 11001 1 77 173 ASP . 11001 1 78 174 VAL . 11001 1 79 175 GLU . 11001 1 80 176 ALA . 11001 1 81 177 MET . 11001 1 82 178 ALA . 11001 1 83 179 ARG . 11001 1 84 180 TYR . 11001 1 85 181 VAL . 11001 1 86 182 GLN . 11001 1 87 183 ASP . 11001 1 88 184 PHE . 11001 1 89 185 HIS . 11001 1 90 186 PRO . 11001 1 91 187 ARG . 11001 1 92 188 LEU . 11001 1 93 189 LEU . 11001 1 94 190 GLY . 11001 1 95 191 LEU . 11001 1 96 192 THR . 11001 1 97 193 GLY . 11001 1 98 194 SER . 11001 1 99 195 THR . 11001 1 100 196 LYS . 11001 1 101 197 GLN . 11001 1 102 198 VAL . 11001 1 103 199 ALA . 11001 1 104 200 GLN . 11001 1 105 201 ALA . 11001 1 106 202 SER . 11001 1 107 203 HIS . 11001 1 108 204 SER . 11001 1 109 205 TYR . 11001 1 110 206 ARG . 11001 1 111 207 VAL . 11001 1 112 208 TYR . 11001 1 113 209 TYR . 11001 1 114 210 ASN . 11001 1 115 211 ALA . 11001 1 116 212 GLY . 11001 1 117 213 PRO . 11001 1 118 214 LYS . 11001 1 119 215 ASP . 11001 1 120 216 GLU . 11001 1 121 217 ASP . 11001 1 122 218 GLN . 11001 1 123 219 ASP . 11001 1 124 220 TYR . 11001 1 125 221 ILE . 11001 1 126 222 VAL . 11001 1 127 223 ASP . 11001 1 128 224 HIS . 11001 1 129 225 SER . 11001 1 130 226 ILE . 11001 1 131 227 ALA . 11001 1 132 228 ILE . 11001 1 133 229 TYR . 11001 1 134 230 LEU . 11001 1 135 231 LEU . 11001 1 136 232 ASN . 11001 1 137 233 PRO . 11001 1 138 234 ASP . 11001 1 139 235 GLY . 11001 1 140 236 LEU . 11001 1 141 237 PHE . 11001 1 142 238 THR . 11001 1 143 239 ASP . 11001 1 144 240 TYR . 11001 1 145 241 TYR . 11001 1 146 242 GLY . 11001 1 147 243 ARG . 11001 1 148 244 SER . 11001 1 149 245 ARG . 11001 1 150 246 SER . 11001 1 151 247 ALA . 11001 1 152 248 GLU . 11001 1 153 249 GLN . 11001 1 154 250 ILE . 11001 1 155 251 SER . 11001 1 156 252 ASP . 11001 1 157 253 SER . 11001 1 158 254 VAL . 11001 1 159 255 ARG . 11001 1 160 256 ARG . 11001 1 161 257 HIS . 11001 1 162 258 MET . 11001 1 163 259 ALA . 11001 1 164 260 ALA . 11001 1 165 261 PHE . 11001 1 166 262 ARG . 11001 1 167 263 SER . 11001 1 168 264 VAL . 11001 1 169 265 LEU . 11001 1 170 266 SER . 11001 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 11001 1 . PHE 2 2 11001 1 . THR 3 3 11001 1 . GLY 4 4 11001 1 . GLN 5 5 11001 1 . GLY 6 6 11001 1 . ASP 7 7 11001 1 . PHE 8 8 11001 1 . HIS 9 9 11001 1 . LEU 10 10 11001 1 . LEU 11 11 11001 1 . ASP 12 12 11001 1 . HIS 13 13 11001 1 . ARG 14 14 11001 1 . GLY 15 15 11001 1 . ARG 16 16 11001 1 . ALA 17 17 11001 1 . ARG 18 18 11001 1 . CYS 19 19 11001 1 . LYS 20 20 11001 1 . ALA 21 21 11001 1 . ASP 22 22 11001 1 . PHE 23 23 11001 1 . ARG 24 24 11001 1 . GLY 25 25 11001 1 . GLN 26 26 11001 1 . TRP 27 27 11001 1 . VAL 28 28 11001 1 . LEU 29 29 11001 1 . MET 30 30 11001 1 . TYR 31 31 11001 1 . PHE 32 32 11001 1 . GLY 33 33 11001 1 . PHE 34 34 11001 1 . THR 35 35 11001 1 . HIS 36 36 11001 1 . CYS 37 37 11001 1 . PRO 38 38 11001 1 . ASP 39 39 11001 1 . ILE 40 40 11001 1 . CYS 41 41 11001 1 . PRO 42 42 11001 1 . ASP 43 43 11001 1 . GLU 44 44 11001 1 . LEU 45 45 11001 1 . GLU 46 46 11001 1 . LYS 47 47 11001 1 . LEU 48 48 11001 1 . VAL 49 49 11001 1 . GLN 50 50 11001 1 . VAL 51 51 11001 1 . VAL 52 52 11001 1 . ARG 53 53 11001 1 . GLN 54 54 11001 1 . LEU 55 55 11001 1 . GLU 56 56 11001 1 . ALA 57 57 11001 1 . GLU 58 58 11001 1 . PRO 59 59 11001 1 . GLY 60 60 11001 1 . LEU 61 61 11001 1 . PRO 62 62 11001 1 . PRO 63 63 11001 1 . VAL 64 64 11001 1 . GLN 65 65 11001 1 . PRO 66 66 11001 1 . VAL 67 67 11001 1 . PHE 68 68 11001 1 . ILE 69 69 11001 1 . THR 70 70 11001 1 . VAL 71 71 11001 1 . ASP 72 72 11001 1 . PRO 73 73 11001 1 . GLU 74 74 11001 1 . ARG 75 75 11001 1 . ASP 76 76 11001 1 . ASP 77 77 11001 1 . VAL 78 78 11001 1 . GLU 79 79 11001 1 . ALA 80 80 11001 1 . MET 81 81 11001 1 . ALA 82 82 11001 1 . ARG 83 83 11001 1 . TYR 84 84 11001 1 . VAL 85 85 11001 1 . GLN 86 86 11001 1 . ASP 87 87 11001 1 . PHE 88 88 11001 1 . HIS 89 89 11001 1 . PRO 90 90 11001 1 . ARG 91 91 11001 1 . LEU 92 92 11001 1 . LEU 93 93 11001 1 . GLY 94 94 11001 1 . LEU 95 95 11001 1 . THR 96 96 11001 1 . GLY 97 97 11001 1 . SER 98 98 11001 1 . THR 99 99 11001 1 . LYS 100 100 11001 1 . GLN 101 101 11001 1 . VAL 102 102 11001 1 . ALA 103 103 11001 1 . GLN 104 104 11001 1 . ALA 105 105 11001 1 . SER 106 106 11001 1 . HIS 107 107 11001 1 . SER 108 108 11001 1 . TYR 109 109 11001 1 . ARG 110 110 11001 1 . VAL 111 111 11001 1 . TYR 112 112 11001 1 . TYR 113 113 11001 1 . ASN 114 114 11001 1 . ALA 115 115 11001 1 . GLY 116 116 11001 1 . PRO 117 117 11001 1 . LYS 118 118 11001 1 . ASP 119 119 11001 1 . GLU 120 120 11001 1 . ASP 121 121 11001 1 . GLN 122 122 11001 1 . ASP 123 123 11001 1 . TYR 124 124 11001 1 . ILE 125 125 11001 1 . VAL 126 126 11001 1 . ASP 127 127 11001 1 . HIS 128 128 11001 1 . SER 129 129 11001 1 . ILE 130 130 11001 1 . ALA 131 131 11001 1 . ILE 132 132 11001 1 . TYR 133 133 11001 1 . LEU 134 134 11001 1 . LEU 135 135 11001 1 . ASN 136 136 11001 1 . PRO 137 137 11001 1 . ASP 138 138 11001 1 . GLY 139 139 11001 1 . LEU 140 140 11001 1 . PHE 141 141 11001 1 . THR 142 142 11001 1 . ASP 143 143 11001 1 . TYR 144 144 11001 1 . TYR 145 145 11001 1 . GLY 146 146 11001 1 . ARG 147 147 11001 1 . SER 148 148 11001 1 . ARG 149 149 11001 1 . SER 150 150 11001 1 . ALA 151 151 11001 1 . GLU 152 152 11001 1 . GLN 153 153 11001 1 . ILE 154 154 11001 1 . SER 155 155 11001 1 . ASP 156 156 11001 1 . SER 157 157 11001 1 . VAL 158 158 11001 1 . ARG 159 159 11001 1 . ARG 160 160 11001 1 . HIS 161 161 11001 1 . MET 162 162 11001 1 . ALA 163 163 11001 1 . ALA 164 164 11001 1 . PHE 165 165 11001 1 . ARG 166 166 11001 1 . SER 167 167 11001 1 . VAL 168 168 11001 1 . LEU 169 169 11001 1 . SER 170 170 11001 1 stop_ save_ save_CU1 _Entity.Sf_category entity _Entity.Sf_framecode CU1 _Entity.Entry_ID 11001 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CU1 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CU1 _Entity.Nonpolymer_comp_label $chem_comp_CU1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CU1 . 11001 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11001 _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 $HSco2 . 9606 organisms . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SCO2 . . . . 11001 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 11001 _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 $HSco2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21DE3 GOLD' . . . . . . . . . . . . . . . PETG-30A . . . . . . 11001 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 11001 _Chem_comp.ID CU1 _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Cu+] SMILES CACTVS 2.87 11001 CU1 [Cu+] SMILES OpenEye/OEToolkits 1.4.2 11001 CU1 [Cu+] SMILES_CANONICAL CACTVS 2.87 11001 CU1 [Cu+] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 11001 CU1 InChI=1/Cu/q+1 INCHI InChi 1 11001 CU1 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'copper(+1) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 11001 CU1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CU . CU . . CU . N . 1 . . . . no no . . . . . . . . . . . . . . . 11001 CU1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11001 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Cu(I)HSco2 '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . 0.8 . . mM 0.1 . . . 11001 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11001 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Cu(I)HSco2 '[U-100% 15N]' 1 $assembly . . . . 0.8 . . mM 0.1 . . . 11001 2 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 11001 _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' 0.05 . M 11001 1 pH 7.2 . pH 11001 1 pressure 1 . atm 11001 1 temperature 308 . K 11001 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11001 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11001 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11001 1 processing 11001 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11001 _Software.ID 2 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11001 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11001 2 'data analysis' 11001 2 'peak picking' 11001 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 11001 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 11001 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11001 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11001 _Software.ID 4 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 11001 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11001 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 11001 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cyro probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11001 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cyro probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11001 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11001 _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 . 500 'cyro probe' . . 11001 1 2 spectrometer_2 Bruker Avance . 900 'cyro probe' . . 11001 1 3 spectrometer_3 Bruker Avance . 600 . . . 11001 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 11001 _Experiment_list.ID 1 _Experiment_list.Details 'he structure was determined using NOE and dihedral angle constrains' 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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11001 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11001 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11001 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11001 1 stop_ 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 11001 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Proton resonances were calibated with respect the signal of 2,2-dimethylsilapentane-5-sulfonic acid(DSS). Nitrogen chemical shifts were referenced indirectly to the 1H standard using a conversion factor derived from the ratio of NMR frequencies. Carbon resonances were calibrated using the signal of dioxane at 69.4 ppm (298K) as secondary reference. ; 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 dioxane carbon . . . . ppm 69.4 internal direct 1.000000000 . . . . . . . . . 11001 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 11001 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 11001 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 11001 _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 . _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' 2 $sample_2 isotropic 11001 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11001 1 3 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11001 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11001 1 5 '3D HNCO' 1 $sample_1 isotropic 11001 1 6 '3D HNCA' 1 $sample_1 isotropic 11001 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11001 1 8 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11001 1 9 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11001 1 10 '3D HN(CO)CA' 1 $sample_1 isotropic 11001 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PHE C C 13 173.7 0.2 . 1 . . . . 98 PHE C . 11001 1 2 . 1 1 3 3 THR H H 1 8.27 0.02 . 1 . . . . 99 THR HN . 11001 1 3 . 1 1 3 3 THR HA H 1 4.17 0.02 . 1 . . . . 99 THR HA . 11001 1 4 . 1 1 3 3 THR HB H 1 4.04 0.02 . 1 . . . . 99 THR HB . 11001 1 5 . 1 1 3 3 THR HG21 H 1 1.01 0.02 . 1 . . . . 99 THR HG2 . 11001 1 6 . 1 1 3 3 THR HG22 H 1 1.01 0.02 . 1 . . . . 99 THR HG2 . 11001 1 7 . 1 1 3 3 THR HG23 H 1 1.01 0.02 . 1 . . . . 99 THR HG2 . 11001 1 8 . 1 1 3 3 THR CA C 13 59.0 0.2 . 1 . . . . 99 THR CA . 11001 1 9 . 1 1 3 3 THR CB C 13 66.7 0.2 . 1 . . . . 99 THR CB . 11001 1 10 . 1 1 3 3 THR CG2 C 13 18.4 0.2 . 1 . . . . 99 THR CG2 . 11001 1 11 . 1 1 3 3 THR N N 15 121.3 0.2 . 1 . . . . 99 THR N . 11001 1 12 . 1 1 4 4 GLY H H 1 7.93 0.02 . 1 . . . . 100 GLY HN . 11001 1 13 . 1 1 4 4 GLY CA C 13 42.2 0.2 . 1 . . . . 100 GLY CA . 11001 1 14 . 1 1 4 4 GLY N N 15 110.5 0.2 . 1 . . . . 100 GLY N . 11001 1 15 . 1 1 5 5 GLN H H 1 8.13 0.02 . 1 . . . . 101 GLN HN . 11001 1 16 . 1 1 5 5 GLN HA H 1 4.24 0.02 . 1 . . . . 101 GLN HA . 11001 1 17 . 1 1 5 5 GLN HB2 H 1 2.02 0.02 . 1 . . . . 101 GLN HB2 . 11001 1 18 . 1 1 5 5 GLN HB3 H 1 2.02 0.02 . 1 . . . . 101 GLN HB3 . 11001 1 19 . 1 1 5 5 GLN HG2 H 1 2.30 0.02 . 1 . . . . 101 GLN HG2 . 11001 1 20 . 1 1 5 5 GLN HG3 H 1 2.30 0.02 . 1 . . . . 101 GLN HG3 . 11001 1 21 . 1 1 5 5 GLN HE21 H 1 6.81 0.02 . 2 . . . . 101 GLN HE21 . 11001 1 22 . 1 1 5 5 GLN HE22 H 1 7.46 0.02 . 2 . . . . 101 GLN HE22 . 11001 1 23 . 1 1 5 5 GLN CA C 13 53.0 0.2 . 1 . . . . 101 GLN CA . 11001 1 24 . 1 1 5 5 GLN CB C 13 26.7 0.2 . 1 . . . . 101 GLN CB . 11001 1 25 . 1 1 5 5 GLN CG C 13 29.9 0.2 . 1 . . . . 101 GLN CG . 11001 1 26 . 1 1 5 5 GLN N N 15 119.5 0.2 . 1 . . . . 101 GLN N . 11001 1 27 . 1 1 5 5 GLN NE2 N 15 112.2 0.2 . 1 . . . . 101 GLN NE2 . 11001 1 28 . 1 1 6 6 GLY H H 1 8.33 0.02 . 1 . . . . 102 GLY HN . 11001 1 29 . 1 1 6 6 GLY HA2 H 1 3.69 0.02 . 1 . . . . 102 GLY HA1 . 11001 1 30 . 1 1 6 6 GLY HA3 H 1 3.69 0.02 . 1 . . . . 102 GLY HA2 . 11001 1 31 . 1 1 6 6 GLY C C 13 170.4 0.2 . 1 . . . . 102 GLY C . 11001 1 32 . 1 1 6 6 GLY CA C 13 41.7 0.2 . 1 . . . . 102 GLY CA . 11001 1 33 . 1 1 6 6 GLY N N 15 110.1 0.2 . 1 . . . . 102 GLY N . 11001 1 34 . 1 1 7 7 ASP H H 1 8.22 0.02 . 1 . . . . 103 ASP HN . 11001 1 35 . 1 1 7 7 ASP HA H 1 4.59 0.02 . 1 . . . . 103 ASP HA . 11001 1 36 . 1 1 7 7 ASP HB2 H 1 2.57 0.02 . 2 . . . . 103 ASP HB2 . 11001 1 37 . 1 1 7 7 ASP HB3 H 1 2.53 0.02 . 2 . . . . 103 ASP HB3 . 11001 1 38 . 1 1 7 7 ASP C C 13 172.4 0.2 . 1 . . . . 103 ASP C . 11001 1 39 . 1 1 7 7 ASP CA C 13 50.4 0.2 . 1 . . . . 103 ASP CA . 11001 1 40 . 1 1 7 7 ASP CB C 13 39.8 0.2 . 1 . . . . 103 ASP CB . 11001 1 41 . 1 1 7 7 ASP N N 15 121.1 0.2 . 1 . . . . 103 ASP N . 11001 1 42 . 1 1 8 8 PHE H H 1 8.44 0.02 . 1 . . . . 104 PHE HN . 11001 1 43 . 1 1 8 8 PHE HA H 1 4.86 0.02 . 1 . . . . 104 PHE HA . 11001 1 44 . 1 1 8 8 PHE HB2 H 1 3.24 0.02 . 2 . . . . 104 PHE HB2 . 11001 1 45 . 1 1 8 8 PHE HB3 H 1 2.85 0.02 . 2 . . . . 104 PHE HB3 . 11001 1 46 . 1 1 8 8 PHE HD1 H 1 6.97 0.02 . 1 . . . . 104 PHE HD1 . 11001 1 47 . 1 1 8 8 PHE HD2 H 1 6.97 0.02 . 1 . . . . 104 PHE HD2 . 11001 1 48 . 1 1 8 8 PHE HE1 H 1 6.85 0.02 . 1 . . . . 104 PHE HE1 . 11001 1 49 . 1 1 8 8 PHE HE2 H 1 6.85 0.02 . 1 . . . . 104 PHE HE2 . 11001 1 50 . 1 1 8 8 PHE C C 13 170.0 0.2 . 1 . . . . 104 PHE C . 11001 1 51 . 1 1 8 8 PHE CA C 13 53.5 0.2 . 1 . . . . 104 PHE CA . 11001 1 52 . 1 1 8 8 PHE CB C 13 37.8 0.2 . 1 . . . . 104 PHE CB . 11001 1 53 . 1 1 8 8 PHE N N 15 114.2 0.2 . 1 . . . . 104 PHE N . 11001 1 54 . 1 1 9 9 HIS H H 1 8.59 0.02 . 1 . . . . 105 HIS HN . 11001 1 55 . 1 1 9 9 HIS HA H 1 4.93 0.02 . 1 . . . . 105 HIS HA . 11001 1 56 . 1 1 9 9 HIS HB2 H 1 2.97 0.02 . 2 . . . . 105 HIS HB2 . 11001 1 57 . 1 1 9 9 HIS HB3 H 1 3.13 0.02 . 2 . . . . 105 HIS HB3 . 11001 1 58 . 1 1 9 9 HIS HD2 H 1 6.91 0.02 . 1 . . . . 105 HIS HD2 . 11001 1 59 . 1 1 9 9 HIS HE1 H 1 7.85 0.02 . 1 . . . . 105 HIS HE1 . 11001 1 60 . 1 1 9 9 HIS C C 13 171.1 0.2 . 1 . . . . 105 HIS C . 11001 1 61 . 1 1 9 9 HIS CA C 13 53.4 0.2 . 1 . . . . 105 HIS CA . 11001 1 62 . 1 1 9 9 HIS CB C 13 28.3 0.2 . 1 . . . . 105 HIS CB . 11001 1 63 . 1 1 9 9 HIS N N 15 121.3 0.2 . 1 . . . . 105 HIS N . 11001 1 64 . 1 1 9 9 HIS ND1 N 15 212.2 0.2 . 1 . . . . 105 HIS ND1 . 11001 1 65 . 1 1 9 9 HIS NE2 N 15 183.2 0.2 . 1 . . . . 105 HIS NE2 . 11001 1 66 . 1 1 10 10 LEU H H 1 8.50 0.02 . 1 . . . . 106 LEU HN . 11001 1 67 . 1 1 10 10 LEU HA H 1 4.87 0.02 . 1 . . . . 106 LEU HA . 11001 1 68 . 1 1 10 10 LEU HB2 H 1 1.30 0.02 . 2 . . . . 106 LEU HB2 . 11001 1 69 . 1 1 10 10 LEU HB3 H 1 1.96 0.02 . 2 . . . . 106 LEU HB3 . 11001 1 70 . 1 1 10 10 LEU HD11 H 1 0.72 0.02 . 2 . . . . 106 LEU HD1 . 11001 1 71 . 1 1 10 10 LEU HD12 H 1 0.72 0.02 . 2 . . . . 106 LEU HD1 . 11001 1 72 . 1 1 10 10 LEU HD13 H 1 0.72 0.02 . 2 . . . . 106 LEU HD1 . 11001 1 73 . 1 1 10 10 LEU HD21 H 1 0.38 0.02 . 2 . . . . 106 LEU HD2 . 11001 1 74 . 1 1 10 10 LEU HD22 H 1 0.38 0.02 . 2 . . . . 106 LEU HD2 . 11001 1 75 . 1 1 10 10 LEU HD23 H 1 0.38 0.02 . 2 . . . . 106 LEU HD2 . 11001 1 76 . 1 1 10 10 LEU C C 13 172.1 0.2 . 1 . . . . 106 LEU C . 11001 1 77 . 1 1 10 10 LEU CA C 13 49.8 0.2 . 1 . . . . 106 LEU CA . 11001 1 78 . 1 1 10 10 LEU CB C 13 44.8 0.2 . 1 . . . . 106 LEU CB . 11001 1 79 . 1 1 10 10 LEU CG C 13 24.6 0.2 . 1 . . . . 106 LEU CG . 11001 1 80 . 1 1 10 10 LEU CD1 C 13 21.1 0.2 . 1 . . . . 106 LEU CD1 . 11001 1 81 . 1 1 10 10 LEU CD2 C 13 24.0 0.2 . 1 . . . . 106 LEU CD2 . 11001 1 82 . 1 1 10 10 LEU N N 15 123.2 0.2 . 1 . . . . 106 LEU N . 11001 1 83 . 1 1 11 11 LEU H H 1 9.29 0.02 . 1 . . . . 107 LEU HN . 11001 1 84 . 1 1 11 11 LEU HA H 1 4.91 0.02 . 1 . . . . 107 LEU HA . 11001 1 85 . 1 1 11 11 LEU HB2 H 1 1.32 0.02 . 2 . . . . 107 LEU HB2 . 11001 1 86 . 1 1 11 11 LEU HB3 H 1 1.42 0.02 . 2 . . . . 107 LEU HB3 . 11001 1 87 . 1 1 11 11 LEU HG H 1 1.61 0.02 . 1 . . . . 107 LEU HG . 11001 1 88 . 1 1 11 11 LEU HD11 H 1 0.77 0.02 . 2 . . . . 107 LEU HD1 . 11001 1 89 . 1 1 11 11 LEU HD12 H 1 0.77 0.02 . 2 . . . . 107 LEU HD1 . 11001 1 90 . 1 1 11 11 LEU HD13 H 1 0.77 0.02 . 2 . . . . 107 LEU HD1 . 11001 1 91 . 1 1 11 11 LEU HD21 H 1 0.72 0.02 . 2 . . . . 107 LEU HD2 . 11001 1 92 . 1 1 11 11 LEU HD22 H 1 0.72 0.02 . 2 . . . . 107 LEU HD2 . 11001 1 93 . 1 1 11 11 LEU HD23 H 1 0.72 0.02 . 2 . . . . 107 LEU HD2 . 11001 1 94 . 1 1 11 11 LEU C C 13 173.6 0.2 . 1 . . . . 107 LEU C . 11001 1 95 . 1 1 11 11 LEU CA C 13 50.7 0.2 . 1 . . . . 107 LEU CA . 11001 1 96 . 1 1 11 11 LEU CB C 13 42.3 0.2 . 1 . . . . 107 LEU CB . 11001 1 97 . 1 1 11 11 LEU CG C 13 23.6 0.2 . 1 . . . . 107 LEU CG . 11001 1 98 . 1 1 11 11 LEU CD1 C 13 21.6 0.2 . 1 . . . . 107 LEU CD1 . 11001 1 99 . 1 1 11 11 LEU CD2 C 13 20.9 0.2 . 1 . . . . 107 LEU CD2 . 11001 1 100 . 1 1 11 11 LEU N N 15 123.3 0.2 . 1 . . . . 107 LEU N . 11001 1 101 . 1 1 12 12 ASP H H 1 8.99 0.02 . 1 . . . . 108 ASP HN . 11001 1 102 . 1 1 12 12 ASP HA H 1 5.79 0.02 . 1 . . . . 108 ASP HA . 11001 1 103 . 1 1 12 12 ASP HB2 H 1 3.01 0.02 . 2 . . . . 108 ASP HB2 . 11001 1 104 . 1 1 12 12 ASP HB3 H 1 2.42 0.02 . 2 . . . . 108 ASP HB3 . 11001 1 105 . 1 1 12 12 ASP C C 13 176.0 0.2 . 1 . . . . 108 ASP C . 11001 1 106 . 1 1 12 12 ASP CA C 13 49.0 0.2 . 1 . . . . 108 ASP CA . 11001 1 107 . 1 1 12 12 ASP CB C 13 40.0 0.2 . 1 . . . . 108 ASP CB . 11001 1 108 . 1 1 12 12 ASP N N 15 120.4 0.2 . 1 . . . . 108 ASP N . 11001 1 109 . 1 1 13 13 HIS H H 1 7.76 0.02 . 1 . . . . 109 HIS HN . 11001 1 110 . 1 1 13 13 HIS HA H 1 4.45 0.02 . 1 . . . . 109 HIS HA . 11001 1 111 . 1 1 13 13 HIS HB2 H 1 2.74 0.02 . 2 . . . . 109 HIS HB2 . 11001 1 112 . 1 1 13 13 HIS HB3 H 1 3.41 0.02 . 2 . . . . 109 HIS HB3 . 11001 1 113 . 1 1 13 13 HIS HD2 H 1 6.82 0.02 . 1 . . . . 109 HIS HD2 . 11001 1 114 . 1 1 13 13 HIS HE1 H 1 8.13 0.02 . 1 . . . . 109 HIS HE1 . 11001 1 115 . 1 1 13 13 HIS C C 13 171.8 0.2 . 1 . . . . 109 HIS C . 11001 1 116 . 1 1 13 13 HIS CA C 13 56.0 0.2 . 1 . . . . 109 HIS CA . 11001 1 117 . 1 1 13 13 HIS CB C 13 27.0 0.2 . 1 . . . . 109 HIS CB . 11001 1 118 . 1 1 13 13 HIS N N 15 113.5 0.2 . 1 . . . . 109 HIS N . 11001 1 119 . 1 1 13 13 HIS ND1 N 15 253.4 0.2 . 1 . . . . 109 HIS ND1 . 11001 1 120 . 1 1 13 13 HIS NE2 N 15 165.6 0.2 . 1 . . . . 109 HIS NE2 . 11001 1 121 . 1 1 14 14 ARG H H 1 8.20 0.02 . 1 . . . . 110 ARG HN . 11001 1 122 . 1 1 14 14 ARG HA H 1 4.32 0.02 . 1 . . . . 110 ARG HA . 11001 1 123 . 1 1 14 14 ARG HB2 H 1 1.63 0.02 . 2 . . . . 110 ARG HB2 . 11001 1 124 . 1 1 14 14 ARG HB3 H 1 1.93 0.02 . 2 . . . . 110 ARG HB3 . 11001 1 125 . 1 1 14 14 ARG HG2 H 1 1.01 0.02 . 2 . . . . 110 ARG HG2 . 11001 1 126 . 1 1 14 14 ARG HG3 H 1 1.15 0.02 . 2 . . . . 110 ARG HG3 . 11001 1 127 . 1 1 14 14 ARG HD2 H 1 2.98 0.02 . 1 . . . . 110 ARG HD2 . 11001 1 128 . 1 1 14 14 ARG HD3 H 1 2.98 0.02 . 1 . . . . 110 ARG HD3 . 11001 1 129 . 1 1 14 14 ARG C C 13 174.6 0.2 . 1 . . . . 110 ARG C . 11001 1 130 . 1 1 14 14 ARG CA C 13 51.8 0.2 . 1 . . . . 110 ARG CA . 11001 1 131 . 1 1 14 14 ARG CB C 13 26.4 0.2 . 1 . . . . 110 ARG CB . 11001 1 132 . 1 1 14 14 ARG CG C 13 24.3 0.2 . 1 . . . . 110 ARG CG . 11001 1 133 . 1 1 14 14 ARG CD C 13 39.9 0.2 . 1 . . . . 110 ARG CD . 11001 1 134 . 1 1 14 14 ARG N N 15 118.7 0.2 . 1 . . . . 110 ARG N . 11001 1 135 . 1 1 15 15 GLY H H 1 8.76 0.02 . 1 . . . . 111 GLY HN . 11001 1 136 . 1 1 15 15 GLY HA2 H 1 4.15 0.02 . 2 . . . . 111 GLY HA1 . 11001 1 137 . 1 1 15 15 GLY HA3 H 1 3.52 0.02 . 2 . . . . 111 GLY HA2 . 11001 1 138 . 1 1 15 15 GLY C C 13 171.1 0.2 . 1 . . . . 111 GLY C . 11001 1 139 . 1 1 15 15 GLY CA C 13 42.4 0.2 . 1 . . . . 111 GLY CA . 11001 1 140 . 1 1 15 15 GLY N N 15 110.4 0.2 . 1 . . . . 111 GLY N . 11001 1 141 . 1 1 16 16 ARG H H 1 8.35 0.02 . 1 . . . . 112 ARG HN . 11001 1 142 . 1 1 16 16 ARG HA H 1 4.37 0.02 . 1 . . . . 112 ARG HA . 11001 1 143 . 1 1 16 16 ARG HB2 H 1 1.81 0.02 . 2 . . . . 112 ARG HB2 . 11001 1 144 . 1 1 16 16 ARG HB3 H 1 1.86 0.02 . 2 . . . . 112 ARG HB3 . 11001 1 145 . 1 1 16 16 ARG HG2 H 1 1.51 0.02 . 1 . . . . 112 ARG HG2 . 11001 1 146 . 1 1 16 16 ARG HG3 H 1 1.51 0.02 . 1 . . . . 112 ARG HG3 . 11001 1 147 . 1 1 16 16 ARG HD2 H 1 3.05 0.02 . 1 . . . . 112 ARG HD2 . 11001 1 148 . 1 1 16 16 ARG HD3 H 1 3.05 0.02 . 1 . . . . 112 ARG HD3 . 11001 1 149 . 1 1 16 16 ARG C C 13 173.1 0.2 . 1 . . . . 112 ARG C . 11001 1 150 . 1 1 16 16 ARG CA C 13 51.8 0.2 . 1 . . . . 112 ARG CA . 11001 1 151 . 1 1 16 16 ARG CB C 13 27.6 0.2 . 1 . . . . 112 ARG CB . 11001 1 152 . 1 1 16 16 ARG CG C 13 23.7 0.2 . 1 . . . . 112 ARG CG . 11001 1 153 . 1 1 16 16 ARG CD C 13 40.3 0.2 . 1 . . . . 112 ARG CD . 11001 1 154 . 1 1 16 16 ARG N N 15 122.6 0.2 . 1 . . . . 112 ARG N . 11001 1 155 . 1 1 17 17 ALA H H 1 8.50 0.02 . 1 . . . . 113 ALA HN . 11001 1 156 . 1 1 17 17 ALA HA H 1 4.56 0.02 . 1 . . . . 113 ALA HA . 11001 1 157 . 1 1 17 17 ALA HB1 H 1 1.37 0.02 . 1 . . . . 113 ALA HB . 11001 1 158 . 1 1 17 17 ALA HB2 H 1 1.37 0.02 . 1 . . . . 113 ALA HB . 11001 1 159 . 1 1 17 17 ALA HB3 H 1 1.37 0.02 . 1 . . . . 113 ALA HB . 11001 1 160 . 1 1 17 17 ALA C C 13 175.0 0.2 . 1 . . . . 113 ALA C . 11001 1 161 . 1 1 17 17 ALA CA C 13 50.0 0.2 . 1 . . . . 113 ALA CA . 11001 1 162 . 1 1 17 17 ALA CB C 13 15.3 0.2 . 1 . . . . 113 ALA CB . 11001 1 163 . 1 1 17 17 ALA N N 15 127.6 0.2 . 1 . . . . 113 ALA N . 11001 1 164 . 1 1 18 18 ARG H H 1 9.13 0.02 . 1 . . . . 114 ARG HN . 11001 1 165 . 1 1 18 18 ARG HA H 1 5.05 0.02 . 1 . . . . 114 ARG HA . 11001 1 166 . 1 1 18 18 ARG HB2 H 1 1.79 0.02 . 2 . . . . 114 ARG HB2 . 11001 1 167 . 1 1 18 18 ARG HB3 H 1 1.76 0.02 . 2 . . . . 114 ARG HB3 . 11001 1 168 . 1 1 18 18 ARG HD2 H 1 2.85 0.02 . 2 . . . . 114 ARG HD2 . 11001 1 169 . 1 1 18 18 ARG HD3 H 1 3.25 0.02 . 2 . . . . 114 ARG HD3 . 11001 1 170 . 1 1 18 18 ARG C C 13 171.7 0.2 . 1 . . . . 114 ARG C . 11001 1 171 . 1 1 18 18 ARG CA C 13 49.8 0.2 . 1 . . . . 114 ARG CA . 11001 1 172 . 1 1 18 18 ARG CB C 13 31.2 0.2 . 1 . . . . 114 ARG CB . 11001 1 173 . 1 1 18 18 ARG CG C 13 26.2 0.2 . 1 . . . . 114 ARG CG . 11001 1 174 . 1 1 18 18 ARG CD C 13 39.5 0.2 . 1 . . . . 114 ARG CD . 11001 1 175 . 1 1 18 18 ARG N N 15 122.1 0.2 . 1 . . . . 114 ARG N . 11001 1 176 . 1 1 19 19 CYS H H 1 8.63 0.02 . 1 . . . . 115 CYS HN . 11001 1 177 . 1 1 19 19 CYS HA H 1 5.14 0.02 . 1 . . . . 115 CYS HA . 11001 1 178 . 1 1 19 19 CYS HB2 H 1 2.97 0.02 . 2 . . . . 115 CYS HB2 . 11001 1 179 . 1 1 19 19 CYS HB3 H 1 2.86 0.02 . 2 . . . . 115 CYS HB3 . 11001 1 180 . 1 1 19 19 CYS C C 13 172.3 0.2 . 1 . . . . 115 CYS C . 11001 1 181 . 1 1 19 19 CYS CA C 13 52.0 0.2 . 1 . . . . 115 CYS CA . 11001 1 182 . 1 1 19 19 CYS CB C 13 29.0 0.2 . 1 . . . . 115 CYS CB . 11001 1 183 . 1 1 19 19 CYS N N 15 117.8 0.2 . 1 . . . . 115 CYS N . 11001 1 184 . 1 1 20 20 LYS H H 1 7.24 0.02 . 1 . . . . 116 LYS HN . 11001 1 185 . 1 1 20 20 LYS HA H 1 3.37 0.02 . 1 . . . . 116 LYS HA . 11001 1 186 . 1 1 20 20 LYS HB2 H 1 1.59 0.02 . 2 . . . . 116 LYS HB2 . 11001 1 187 . 1 1 20 20 LYS HB3 H 1 1.01 0.02 . 2 . . . . 116 LYS HB3 . 11001 1 188 . 1 1 20 20 LYS HG2 H 1 1.29 0.02 . 2 . . . . 116 LYS HG2 . 11001 1 189 . 1 1 20 20 LYS HG3 H 1 1.26 0.02 . 2 . . . . 116 LYS HG3 . 11001 1 190 . 1 1 20 20 LYS HD2 H 1 1.62 0.02 . 1 . . . . 116 LYS HD2 . 11001 1 191 . 1 1 20 20 LYS HD3 H 1 1.62 0.02 . 1 . . . . 116 LYS HD3 . 11001 1 192 . 1 1 20 20 LYS HE2 H 1 2.84 0.02 . 1 . . . . 116 LYS HE2 . 11001 1 193 . 1 1 20 20 LYS HE3 H 1 2.84 0.02 . 1 . . . . 116 LYS HE3 . 11001 1 194 . 1 1 20 20 LYS C C 13 176.6 0.2 . 1 . . . . 116 LYS C . 11001 1 195 . 1 1 20 20 LYS CA C 13 58.0 0.2 . 1 . . . . 116 LYS CA . 11001 1 196 . 1 1 20 20 LYS CB C 13 28.6 0.2 . 1 . . . . 116 LYS CB . 11001 1 197 . 1 1 20 20 LYS CG C 13 21.4 0.2 . 1 . . . . 116 LYS CG . 11001 1 198 . 1 1 20 20 LYS CD C 13 25.5 0.2 . 1 . . . . 116 LYS CD . 11001 1 199 . 1 1 20 20 LYS CE C 13 39.3 0.2 . 1 . . . . 116 LYS CE . 11001 1 200 . 1 1 20 20 LYS N N 15 121.8 0.2 . 1 . . . . 116 LYS N . 11001 1 201 . 1 1 21 21 ALA H H 1 8.65 0.02 . 1 . . . . 117 ALA HN . 11001 1 202 . 1 1 21 21 ALA HA H 1 3.96 0.02 . 1 . . . . 117 ALA HA . 11001 1 203 . 1 1 21 21 ALA HB1 H 1 1.36 0.02 . 1 . . . . 117 ALA HB . 11001 1 204 . 1 1 21 21 ALA HB2 H 1 1.36 0.02 . 1 . . . . 117 ALA HB . 11001 1 205 . 1 1 21 21 ALA HB3 H 1 1.36 0.02 . 1 . . . . 117 ALA HB . 11001 1 206 . 1 1 21 21 ALA C C 13 176.5 0.2 . 1 . . . . 117 ALA C . 11001 1 207 . 1 1 21 21 ALA CA C 13 51.6 0.2 . 1 . . . . 117 ALA CA . 11001 1 208 . 1 1 21 21 ALA CB C 13 15.0 0.2 . 1 . . . . 117 ALA CB . 11001 1 209 . 1 1 21 21 ALA N N 15 121.6 0.2 . 1 . . . . 117 ALA N . 11001 1 210 . 1 1 22 22 ASP H H 1 7.63 0.02 . 1 . . . . 118 ASP HN . 11001 1 211 . 1 1 22 22 ASP HA H 1 4.19 0.02 . 1 . . . . 118 ASP HA . 11001 1 212 . 1 1 22 22 ASP HB2 H 1 2.35 0.02 . 2 . . . . 118 ASP HB2 . 11001 1 213 . 1 1 22 22 ASP HB3 H 1 2.16 0.02 . 2 . . . . 118 ASP HB3 . 11001 1 214 . 1 1 22 22 ASP C C 13 174.4 0.2 . 1 . . . . 118 ASP C . 11001 1 215 . 1 1 22 22 ASP CA C 13 53.9 0.2 . 1 . . . . 118 ASP CA . 11001 1 216 . 1 1 22 22 ASP CB C 13 37.5 0.2 . 1 . . . . 118 ASP CB . 11001 1 217 . 1 1 22 22 ASP N N 15 118.6 0.2 . 1 . . . . 118 ASP N . 11001 1 218 . 1 1 23 23 PHE H H 1 7.63 0.02 . 1 . . . . 119 PHE HN . 11001 1 219 . 1 1 23 23 PHE HA H 1 4.56 0.02 . 1 . . . . 119 PHE HA . 11001 1 220 . 1 1 23 23 PHE HB2 H 1 2.60 0.02 . 2 . . . . 119 PHE HB2 . 11001 1 221 . 1 1 23 23 PHE HB3 H 1 3.31 0.02 . 2 . . . . 119 PHE HB3 . 11001 1 222 . 1 1 23 23 PHE HD1 H 1 7.24 0.02 . 1 . . . . 119 PHE HD1 . 11001 1 223 . 1 1 23 23 PHE HD2 H 1 7.24 0.02 . 1 . . . . 119 PHE HD2 . 11001 1 224 . 1 1 23 23 PHE HZ H 1 6.84 0.02 . 1 . . . . 119 PHE HZ . 11001 1 225 . 1 1 23 23 PHE C C 13 171.6 0.2 . 1 . . . . 119 PHE C . 11001 1 226 . 1 1 23 23 PHE CA C 13 53.6 0.2 . 1 . . . . 119 PHE CA . 11001 1 227 . 1 1 23 23 PHE CB C 13 36.0 0.2 . 1 . . . . 119 PHE CB . 11001 1 228 . 1 1 23 23 PHE N N 15 116.3 0.2 . 1 . . . . 119 PHE N . 11001 1 229 . 1 1 24 24 ARG H H 1 7.16 0.02 . 1 . . . . 120 ARG HN . 11001 1 230 . 1 1 24 24 ARG HA H 1 4.13 0.02 . 1 . . . . 120 ARG HA . 11001 1 231 . 1 1 24 24 ARG HB2 H 1 1.87 0.02 . 2 . . . . 120 ARG HB2 . 11001 1 232 . 1 1 24 24 ARG HB3 H 1 1.77 0.02 . 2 . . . . 120 ARG HB3 . 11001 1 233 . 1 1 24 24 ARG HG2 H 1 1.66 0.02 . 2 . . . . 120 ARG HG2 . 11001 1 234 . 1 1 24 24 ARG HG3 H 1 1.73 0.02 . 2 . . . . 120 ARG HG3 . 11001 1 235 . 1 1 24 24 ARG HD2 H 1 3.19 0.02 . 1 . . . . 120 ARG HD2 . 11001 1 236 . 1 1 24 24 ARG HD3 H 1 3.19 0.02 . 1 . . . . 120 ARG HD3 . 11001 1 237 . 1 1 24 24 ARG C C 13 175.2 0.2 . 1 . . . . 120 ARG C . 11001 1 238 . 1 1 24 24 ARG CA C 13 54.9 0.2 . 1 . . . . 120 ARG CA . 11001 1 239 . 1 1 24 24 ARG CB C 13 26.9 0.2 . 1 . . . . 120 ARG CB . 11001 1 240 . 1 1 24 24 ARG CG C 13 24.0 0.2 . 1 . . . . 120 ARG CG . 11001 1 241 . 1 1 24 24 ARG CD C 13 40.2 0.2 . 1 . . . . 120 ARG CD . 11001 1 242 . 1 1 24 24 ARG N N 15 122.7 0.2 . 1 . . . . 120 ARG N . 11001 1 243 . 1 1 25 25 GLY H H 1 9.61 0.02 . 1 . . . . 121 GLY HN . 11001 1 244 . 1 1 25 25 GLY HA2 H 1 3.61 0.02 . 2 . . . . 121 GLY HA1 . 11001 1 245 . 1 1 25 25 GLY HA3 H 1 4.54 0.02 . 2 . . . . 121 GLY HA2 . 11001 1 246 . 1 1 25 25 GLY C C 13 170.9 0.2 . 1 . . . . 121 GLY C . 11001 1 247 . 1 1 25 25 GLY CA C 13 42.1 0.2 . 1 . . . . 121 GLY CA . 11001 1 248 . 1 1 25 25 GLY N N 15 113.9 0.2 . 1 . . . . 121 GLY N . 11001 1 249 . 1 1 26 26 GLN H H 1 8.31 0.02 . 1 . . . . 122 GLN HN . 11001 1 250 . 1 1 26 26 GLN HA H 1 4.71 0.02 . 1 . . . . 122 GLN HA . 11001 1 251 . 1 1 26 26 GLN HB2 H 1 2.04 0.02 . 2 . . . . 122 GLN HB2 . 11001 1 252 . 1 1 26 26 GLN HB3 H 1 2.07 0.02 . 2 . . . . 122 GLN HB3 . 11001 1 253 . 1 1 26 26 GLN HG2 H 1 2.09 0.02 . 1 . . . . 122 GLN HG2 . 11001 1 254 . 1 1 26 26 GLN HG3 H 1 2.09 0.02 . 1 . . . . 122 GLN HG3 . 11001 1 255 . 1 1 26 26 GLN HE21 H 1 7.28 0.02 . 2 . . . . 122 GLN HE21 . 11001 1 256 . 1 1 26 26 GLN HE22 H 1 6.59 0.02 . 2 . . . . 122 GLN HE22 . 11001 1 257 . 1 1 26 26 GLN C C 13 171.7 0.2 . 1 . . . . 122 GLN C . 11001 1 258 . 1 1 26 26 GLN CA C 13 51.3 0.2 . 1 . . . . 122 GLN CA . 11001 1 259 . 1 1 26 26 GLN CB C 13 28.5 0.2 . 1 . . . . 122 GLN CB . 11001 1 260 . 1 1 26 26 GLN CG C 13 30.9 0.2 . 1 . . . . 122 GLN CG . 11001 1 261 . 1 1 26 26 GLN CD C 13 177.1 0.2 . 1 . . . . 122 GLN CD . 11001 1 262 . 1 1 26 26 GLN N N 15 119.9 0.2 . 1 . . . . 122 GLN N . 11001 1 263 . 1 1 26 26 GLN NE2 N 15 109.2 0.2 . 1 . . . . 122 GLN NE2 . 11001 1 264 . 1 1 27 27 TRP H H 1 8.31 0.02 . 1 . . . . 123 TRP HN . 11001 1 265 . 1 1 27 27 TRP HA H 1 4.26 0.02 . 1 . . . . 123 TRP HA . 11001 1 266 . 1 1 27 27 TRP HB2 H 1 2.88 0.02 . 2 . . . . 123 TRP HB2 . 11001 1 267 . 1 1 27 27 TRP HB3 H 1 3.06 0.02 . 2 . . . . 123 TRP HB3 . 11001 1 268 . 1 1 27 27 TRP HD1 H 1 7.22 0.02 . 1 . . . . 123 TRP HD1 . 11001 1 269 . 1 1 27 27 TRP HE1 H 1 10.70 0.02 . 1 . . . . 123 TRP HE1 . 11001 1 270 . 1 1 27 27 TRP C C 13 173.2 0.2 . 1 . . . . 123 TRP C . 11001 1 271 . 1 1 27 27 TRP CA C 13 54.5 0.2 . 1 . . . . 123 TRP CA . 11001 1 272 . 1 1 27 27 TRP CB C 13 26.0 0.2 . 1 . . . . 123 TRP CB . 11001 1 273 . 1 1 27 27 TRP N N 15 120.8 0.2 . 1 . . . . 123 TRP N . 11001 1 274 . 1 1 27 27 TRP NE1 N 15 131.1 0.2 . 1 . . . . 123 TRP NE1 . 11001 1 275 . 1 1 28 28 VAL H H 1 8.62 0.02 . 1 . . . . 124 VAL HN . 11001 1 276 . 1 1 28 28 VAL HA H 1 4.77 0.02 . 1 . . . . 124 VAL HA . 11001 1 277 . 1 1 28 28 VAL HB H 1 1.71 0.02 . 1 . . . . 124 VAL HB . 11001 1 278 . 1 1 28 28 VAL HG11 H 1 0.53 0.02 . 2 . . . . 124 VAL HG1 . 11001 1 279 . 1 1 28 28 VAL HG12 H 1 0.53 0.02 . 2 . . . . 124 VAL HG1 . 11001 1 280 . 1 1 28 28 VAL HG13 H 1 0.53 0.02 . 2 . . . . 124 VAL HG1 . 11001 1 281 . 1 1 28 28 VAL HG21 H 1 0.67 0.02 . 2 . . . . 124 VAL HG2 . 11001 1 282 . 1 1 28 28 VAL HG22 H 1 0.67 0.02 . 2 . . . . 124 VAL HG2 . 11001 1 283 . 1 1 28 28 VAL HG23 H 1 0.67 0.02 . 2 . . . . 124 VAL HG2 . 11001 1 284 . 1 1 28 28 VAL C C 13 172.3 0.2 . 1 . . . . 124 VAL C . 11001 1 285 . 1 1 28 28 VAL CA C 13 58.0 0.2 . 1 . . . . 124 VAL CA . 11001 1 286 . 1 1 28 28 VAL CB C 13 31.5 0.2 . 1 . . . . 124 VAL CB . 11001 1 287 . 1 1 28 28 VAL CG1 C 13 18.3 0.2 . 1 . . . . 124 VAL CG1 . 11001 1 288 . 1 1 28 28 VAL CG2 C 13 18.6 0.2 . 1 . . . . 124 VAL CG2 . 11001 1 289 . 1 1 28 28 VAL N N 15 123.3 0.2 . 1 . . . . 124 VAL N . 11001 1 290 . 1 1 29 29 LEU H H 1 7.73 0.02 . 1 . . . . 125 LEU HN . 11001 1 291 . 1 1 29 29 LEU HA H 1 5.45 0.02 . 1 . . . . 125 LEU HA . 11001 1 292 . 1 1 29 29 LEU HB2 H 1 1.13 0.02 . 2 . . . . 125 LEU HB2 . 11001 1 293 . 1 1 29 29 LEU HB3 H 1 1.25 0.02 . 2 . . . . 125 LEU HB3 . 11001 1 294 . 1 1 29 29 LEU HG H 1 0.61 0.02 . 1 . . . . 125 LEU HG . 11001 1 295 . 1 1 29 29 LEU HD11 H 1 0.62 0.02 . 2 . . . . 125 LEU HD1 . 11001 1 296 . 1 1 29 29 LEU HD12 H 1 0.62 0.02 . 2 . . . . 125 LEU HD1 . 11001 1 297 . 1 1 29 29 LEU HD13 H 1 0.62 0.02 . 2 . . . . 125 LEU HD1 . 11001 1 298 . 1 1 29 29 LEU HD21 H 1 0.76 0.02 . 2 . . . . 125 LEU HD2 . 11001 1 299 . 1 1 29 29 LEU HD22 H 1 0.76 0.02 . 2 . . . . 125 LEU HD2 . 11001 1 300 . 1 1 29 29 LEU HD23 H 1 0.76 0.02 . 2 . . . . 125 LEU HD2 . 11001 1 301 . 1 1 29 29 LEU C C 13 171.9 0.2 . 1 . . . . 125 LEU C . 11001 1 302 . 1 1 29 29 LEU CA C 13 49.9 0.2 . 1 . . . . 125 LEU CA . 11001 1 303 . 1 1 29 29 LEU CB C 13 43.3 0.2 . 1 . . . . 125 LEU CB . 11001 1 304 . 1 1 29 29 LEU CG C 13 24.0 0.2 . 1 . . . . 125 LEU CG . 11001 1 305 . 1 1 29 29 LEU CD1 C 13 23.1 0.2 . 1 . . . . 125 LEU CD1 . 11001 1 306 . 1 1 29 29 LEU CD2 C 13 23.1 0.2 . 1 . . . . 125 LEU CD2 . 11001 1 307 . 1 1 29 29 LEU N N 15 127.9 0.2 . 1 . . . . 125 LEU N . 11001 1 308 . 1 1 30 30 MET H H 1 9.54 0.02 . 1 . . . . 126 MET HN . 11001 1 309 . 1 1 30 30 MET HA H 1 5.42 0.02 . 1 . . . . 126 MET HA . 11001 1 310 . 1 1 30 30 MET HB2 H 1 1.62 0.02 . 2 . . . . 126 MET HB2 . 11001 1 311 . 1 1 30 30 MET HB3 H 1 1.53 0.02 . 2 . . . . 126 MET HB3 . 11001 1 312 . 1 1 30 30 MET HG2 H 1 1.71 0.02 . 2 . . . . 126 MET HG2 . 11001 1 313 . 1 1 30 30 MET HG3 H 1 1.86 0.02 . 2 . . . . 126 MET HG3 . 11001 1 314 . 1 1 30 30 MET HE1 H 1 0.98 0.02 . 1 . . . . 126 MET HE . 11001 1 315 . 1 1 30 30 MET HE2 H 1 0.98 0.02 . 1 . . . . 126 MET HE . 11001 1 316 . 1 1 30 30 MET HE3 H 1 0.98 0.02 . 1 . . . . 126 MET HE . 11001 1 317 . 1 1 30 30 MET C C 13 171.2 0.2 . 1 . . . . 126 MET C . 11001 1 318 . 1 1 30 30 MET CA C 13 50.8 0.2 . 1 . . . . 126 MET CA . 11001 1 319 . 1 1 30 30 MET CB C 13 35.0 0.2 . 1 . . . . 126 MET CB . 11001 1 320 . 1 1 30 30 MET CG C 13 27.9 0.2 . 1 . . . . 126 MET CG . 11001 1 321 . 1 1 30 30 MET CE C 13 12.3 0.2 . 1 . . . . 126 MET CE . 11001 1 322 . 1 1 30 30 MET N N 15 122.1 0.2 . 1 . . . . 126 MET N . 11001 1 323 . 1 1 31 31 TYR H H 1 8.59 0.02 . 1 . . . . 127 TYR HN . 11001 1 324 . 1 1 31 31 TYR HA H 1 5.23 0.02 . 1 . . . . 127 TYR HA . 11001 1 325 . 1 1 31 31 TYR HB2 H 1 3.02 0.02 . 2 . . . . 127 TYR HB2 . 11001 1 326 . 1 1 31 31 TYR HB3 H 1 2.57 0.02 . 2 . . . . 127 TYR HB3 . 11001 1 327 . 1 1 31 31 TYR HH H 1 10.80 0.02 . 1 . . . . 127 TYR HH . 11001 1 328 . 1 1 31 31 TYR C C 13 169.9 0.2 . 1 . . . . 127 TYR C . 11001 1 329 . 1 1 31 31 TYR CA C 13 55.0 0.2 . 1 . . . . 127 TYR CA . 11001 1 330 . 1 1 31 31 TYR CB C 13 40.8 0.2 . 1 . . . . 127 TYR CB . 11001 1 331 . 1 1 31 31 TYR N N 15 124.6 0.2 . 1 . . . . 127 TYR N . 11001 1 332 . 1 1 32 32 PHE H H 1 6.87 0.02 . 1 . . . . 128 PHE HN . 11001 1 333 . 1 1 32 32 PHE HA H 1 5.47 0.02 . 1 . . . . 128 PHE HA . 11001 1 334 . 1 1 32 32 PHE HB2 H 1 2.30 0.02 . 2 . . . . 128 PHE HB2 . 11001 1 335 . 1 1 32 32 PHE HB3 H 1 2.90 0.02 . 2 . . . . 128 PHE HB3 . 11001 1 336 . 1 1 32 32 PHE HD1 H 1 6.81 0.02 . 1 . . . . 128 PHE HD1 . 11001 1 337 . 1 1 32 32 PHE HD2 H 1 6.81 0.02 . 1 . . . . 128 PHE HD2 . 11001 1 338 . 1 1 32 32 PHE HE1 H 1 6.37 0.02 . 1 . . . . 128 PHE HE1 . 11001 1 339 . 1 1 32 32 PHE HE2 H 1 6.37 0.02 . 1 . . . . 128 PHE HE2 . 11001 1 340 . 1 1 32 32 PHE HZ H 1 6.34 0.02 . 1 . . . . 128 PHE HZ . 11001 1 341 . 1 1 32 32 PHE C C 13 171.2 0.2 . 1 . . . . 128 PHE C . 11001 1 342 . 1 1 32 32 PHE CA C 13 52.5 0.2 . 1 . . . . 128 PHE CA . 11001 1 343 . 1 1 32 32 PHE CB C 13 37.4 0.2 . 1 . . . . 128 PHE CB . 11001 1 344 . 1 1 32 32 PHE N N 15 127.8 0.2 . 1 . . . . 128 PHE N . 11001 1 345 . 1 1 33 33 GLY H H 1 7.89 0.02 . 1 . . . . 129 GLY HN . 11001 1 346 . 1 1 33 33 GLY HA2 H 1 5.28 0.02 . 2 . . . . 129 GLY HA1 . 11001 1 347 . 1 1 33 33 GLY HA3 H 1 2.65 0.02 . 2 . . . . 129 GLY HA2 . 11001 1 348 . 1 1 33 33 GLY C C 13 169.2 0.2 . 1 . . . . 129 GLY C . 11001 1 349 . 1 1 33 33 GLY CA C 13 43.0 0.2 . 1 . . . . 129 GLY CA . 11001 1 350 . 1 1 33 33 GLY N N 15 105.6 0.2 . 1 . . . . 129 GLY N . 11001 1 351 . 1 1 34 34 PHE H H 1 9.96 0.02 . 1 . . . . 130 PHE HN . 11001 1 352 . 1 1 34 34 PHE HA H 1 5.26 0.02 . 1 . . . . 130 PHE HA . 11001 1 353 . 1 1 34 34 PHE HB2 H 1 3.03 0.02 . 2 . . . . 130 PHE HB2 . 11001 1 354 . 1 1 34 34 PHE HB3 H 1 2.98 0.02 . 2 . . . . 130 PHE HB3 . 11001 1 355 . 1 1 34 34 PHE HZ H 1 7.64 0.02 . 1 . . . . 130 PHE HZ . 11001 1 356 . 1 1 34 34 PHE C C 13 172.6 0.2 . 1 . . . . 130 PHE C . 11001 1 357 . 1 1 34 34 PHE CA C 13 54.5 0.2 . 1 . . . . 130 PHE CA . 11001 1 358 . 1 1 34 34 PHE CB C 13 37.2 0.2 . 1 . . . . 130 PHE CB . 11001 1 359 . 1 1 34 34 PHE N N 15 122.5 0.2 . 1 . . . . 130 PHE N . 11001 1 360 . 1 1 35 35 THR H H 1 9.47 0.02 . 1 . . . . 131 THR HN . 11001 1 361 . 1 1 35 35 THR HA H 1 3.09 0.02 . 1 . . . . 131 THR HA . 11001 1 362 . 1 1 35 35 THR HB H 1 3.29 0.02 . 1 . . . . 131 THR HB . 11001 1 363 . 1 1 35 35 THR HG21 H 1 0.71 0.02 . 1 . . . . 131 THR HG2 . 11001 1 364 . 1 1 35 35 THR HG22 H 1 0.71 0.02 . 1 . . . . 131 THR HG2 . 11001 1 365 . 1 1 35 35 THR HG23 H 1 0.71 0.02 . 1 . . . . 131 THR HG2 . 11001 1 366 . 1 1 35 35 THR C C 13 174.7 0.2 . 1 . . . . 131 THR C . 11001 1 367 . 1 1 35 35 THR CA C 13 62.4 0.2 . 1 . . . . 131 THR CA . 11001 1 368 . 1 1 35 35 THR CB C 13 65.5 0.2 . 1 . . . . 131 THR CB . 11001 1 369 . 1 1 35 35 THR CG2 C 13 17.2 0.2 . 1 . . . . 131 THR CG2 . 11001 1 370 . 1 1 35 35 THR N N 15 111.8 0.2 . 1 . . . . 131 THR N . 11001 1 371 . 1 1 36 36 HIS H H 1 7.39 0.02 . 1 . . . . 132 HIS HN . 11001 1 372 . 1 1 36 36 HIS HA H 1 4.38 0.02 . 1 . . . . 132 HIS HA . 11001 1 373 . 1 1 36 36 HIS HB2 H 1 3.84 0.02 . 2 . . . . 132 HIS HB2 . 11001 1 374 . 1 1 36 36 HIS HB3 H 1 3.03 0.02 . 2 . . . . 132 HIS HB3 . 11001 1 375 . 1 1 36 36 HIS HD2 H 1 7.49 0.02 . 1 . . . . 132 HIS HD2 . 11001 1 376 . 1 1 36 36 HIS HE1 H 1 8.51 0.02 . 1 . . . . 132 HIS HE1 . 11001 1 377 . 1 1 36 36 HIS C C 13 169.4 0.2 . 1 . . . . 132 HIS C . 11001 1 378 . 1 1 36 36 HIS CA C 13 54.1 0.2 . 1 . . . . 132 HIS CA . 11001 1 379 . 1 1 36 36 HIS CB C 13 24.1 0.2 . 1 . . . . 132 HIS CB . 11001 1 380 . 1 1 36 36 HIS N N 15 117.2 0.2 . 1 . . . . 132 HIS N . 11001 1 381 . 1 1 36 36 HIS ND1 N 15 178.7 0.2 . 1 . . . . 132 HIS ND1 . 11001 1 382 . 1 1 36 36 HIS NE2 N 15 181.9 0.2 . 1 . . . . 132 HIS NE2 . 11001 1 383 . 1 1 37 37 CYS H H 1 6.15 0.02 . 1 . . . . 133 CYS HN . 11001 1 384 . 1 1 37 37 CYS HA H 1 3.86 0.02 . 1 . . . . 133 CYS HA . 11001 1 385 . 1 1 37 37 CYS HB2 H 1 2.85 0.02 . 2 . . . . 133 CYS HB2 . 11001 1 386 . 1 1 37 37 CYS HB3 H 1 2.88 0.02 . 2 . . . . 133 CYS HB3 . 11001 1 387 . 1 1 37 37 CYS CA C 13 55.6 0.2 . 1 . . . . 133 CYS CA . 11001 1 388 . 1 1 37 37 CYS CB C 13 29.6 0.2 . 1 . . . . 133 CYS CB . 11001 1 389 . 1 1 37 37 CYS N N 15 127.2 0.2 . 1 . . . . 133 CYS N . 11001 1 390 . 1 1 38 38 PRO HA H 1 4.47 0.02 . 1 . . . . 134 PRO HA . 11001 1 391 . 1 1 38 38 PRO HB2 H 1 1.97 0.02 . 2 . . . . 134 PRO HB2 . 11001 1 392 . 1 1 38 38 PRO HB3 H 1 1.94 0.02 . 2 . . . . 134 PRO HB3 . 11001 1 393 . 1 1 38 38 PRO HG2 H 1 2.16 0.02 . 2 . . . . 134 PRO HG2 . 11001 1 394 . 1 1 38 38 PRO HG3 H 1 2.09 0.02 . 2 . . . . 134 PRO HG3 . 11001 1 395 . 1 1 38 38 PRO HD2 H 1 4.30 0.02 . 2 . . . . 134 PRO HD2 . 11001 1 396 . 1 1 38 38 PRO HD3 H 1 4.23 0.02 . 2 . . . . 134 PRO HD3 . 11001 1 397 . 1 1 38 38 PRO C C 13 175.9 0.2 . 1 . . . . 134 PRO C . 11001 1 398 . 1 1 38 38 PRO CA C 13 61.7 0.2 . 1 . . . . 134 PRO CA . 11001 1 399 . 1 1 38 38 PRO CB C 13 29.5 0.2 . 1 . . . . 134 PRO CB . 11001 1 400 . 1 1 38 38 PRO CG C 13 24.2 0.2 . 1 . . . . 134 PRO CG . 11001 1 401 . 1 1 38 38 PRO CD C 13 48.6 0.2 . 1 . . . . 134 PRO CD . 11001 1 402 . 1 1 39 39 ASP H H 1 8.01 0.02 . 1 . . . . 135 ASP HN . 11001 1 403 . 1 1 39 39 ASP HA H 1 4.81 0.02 . 1 . . . . 135 ASP HA . 11001 1 404 . 1 1 39 39 ASP HB2 H 1 2.63 0.02 . 2 . . . . 135 ASP HB2 . 11001 1 405 . 1 1 39 39 ASP HB3 H 1 2.78 0.02 . 2 . . . . 135 ASP HB3 . 11001 1 406 . 1 1 39 39 ASP C C 13 173.0 0.2 . 1 . . . . 135 ASP C . 11001 1 407 . 1 1 39 39 ASP CA C 13 51.8 0.2 . 1 . . . . 135 ASP CA . 11001 1 408 . 1 1 39 39 ASP CB C 13 39.3 0.2 . 1 . . . . 135 ASP CB . 11001 1 409 . 1 1 39 39 ASP N N 15 113.7 0.2 . 1 . . . . 135 ASP N . 11001 1 410 . 1 1 40 40 ILE H H 1 8.66 0.02 . 1 . . . . 136 ILE HN . 11001 1 411 . 1 1 40 40 ILE HA H 1 4.29 0.02 . 1 . . . . 136 ILE HA . 11001 1 412 . 1 1 40 40 ILE HB H 1 1.68 0.02 . 1 . . . . 136 ILE HB . 11001 1 413 . 1 1 40 40 ILE HG12 H 1 1.03 0.02 . 1 . . . . 136 ILE HG12 . 11001 1 414 . 1 1 40 40 ILE HG13 H 1 1.03 0.02 . 1 . . . . 136 ILE HG13 . 11001 1 415 . 1 1 40 40 ILE HG21 H 1 1.13 0.02 . 1 . . . . 136 ILE HG2 . 11001 1 416 . 1 1 40 40 ILE HG22 H 1 1.13 0.02 . 1 . . . . 136 ILE HG2 . 11001 1 417 . 1 1 40 40 ILE HG23 H 1 1.13 0.02 . 1 . . . . 136 ILE HG2 . 11001 1 418 . 1 1 40 40 ILE HD11 H 1 0.90 0.02 . 1 . . . . 136 ILE HD1 . 11001 1 419 . 1 1 40 40 ILE HD12 H 1 0.90 0.02 . 1 . . . . 136 ILE HD1 . 11001 1 420 . 1 1 40 40 ILE HD13 H 1 0.90 0.02 . 1 . . . . 136 ILE HD1 . 11001 1 421 . 1 1 40 40 ILE C C 13 175.0 0.2 . 1 . . . . 136 ILE C . 11001 1 422 . 1 1 40 40 ILE CA C 13 61.4 0.2 . 1 . . . . 136 ILE CA . 11001 1 423 . 1 1 40 40 ILE CB C 13 38.2 0.2 . 1 . . . . 136 ILE CB . 11001 1 424 . 1 1 40 40 ILE CG1 C 13 24.4 0.2 . 1 . . . . 136 ILE CG1 . 11001 1 425 . 1 1 40 40 ILE CG2 C 13 15.8 0.2 . 1 . . . . 136 ILE CG2 . 11001 1 426 . 1 1 40 40 ILE CD1 C 13 10.2 0.2 . 1 . . . . 136 ILE CD1 . 11001 1 427 . 1 1 40 40 ILE N N 15 125.0 0.2 . 1 . . . . 136 ILE N . 11001 1 428 . 1 1 41 41 CYS H H 1 9.88 0.02 . 1 . . . . 137 CYS HN . 11001 1 429 . 1 1 41 41 CYS HA H 1 4.35 0.02 . 1 . . . . 137 CYS HA . 11001 1 430 . 1 1 41 41 CYS HB2 H 1 2.93 0.02 . 2 . . . . 137 CYS HB2 . 11001 1 431 . 1 1 41 41 CYS HB3 H 1 2.97 0.02 . 2 . . . . 137 CYS HB3 . 11001 1 432 . 1 1 41 41 CYS CA C 13 63.5 0.2 . 1 . . . . 137 CYS CA . 11001 1 433 . 1 1 41 41 CYS CB C 13 26.3 0.2 . 1 . . . . 137 CYS CB . 11001 1 434 . 1 1 41 41 CYS N N 15 127.4 0.2 . 1 . . . . 137 CYS N . 11001 1 435 . 1 1 42 42 PRO HA H 1 4.14 0.02 . 1 . . . . 138 PRO HA . 11001 1 436 . 1 1 42 42 PRO HB2 H 1 1.80 0.02 . 2 . . . . 138 PRO HB2 . 11001 1 437 . 1 1 42 42 PRO HB3 H 1 2.34 0.02 . 2 . . . . 138 PRO HB3 . 11001 1 438 . 1 1 42 42 PRO HG2 H 1 2.16 0.02 . 2 . . . . 138 PRO HG2 . 11001 1 439 . 1 1 42 42 PRO HG3 H 1 1.99 0.02 . 2 . . . . 138 PRO HG3 . 11001 1 440 . 1 1 42 42 PRO HD2 H 1 3.57 0.02 . 2 . . . . 138 PRO HD2 . 11001 1 441 . 1 1 42 42 PRO HD3 H 1 3.38 0.02 . 2 . . . . 138 PRO HD3 . 11001 1 442 . 1 1 42 42 PRO C C 13 176.5 0.2 . 1 . . . . 138 PRO C . 11001 1 443 . 1 1 42 42 PRO CA C 13 63.9 0.2 . 1 . . . . 138 PRO CA . 11001 1 444 . 1 1 42 42 PRO CB C 13 27.6 0.2 . 1 . . . . 138 PRO CB . 11001 1 445 . 1 1 42 42 PRO CG C 13 25.5 0.2 . 1 . . . . 138 PRO CG . 11001 1 446 . 1 1 42 42 PRO CD C 13 46.8 0.2 . 1 . . . . 138 PRO CD . 11001 1 447 . 1 1 43 43 ASP H H 1 7.16 0.02 . 1 . . . . 139 ASP HN . 11001 1 448 . 1 1 43 43 ASP HA H 1 4.47 0.02 . 1 . . . . 139 ASP HA . 11001 1 449 . 1 1 43 43 ASP HB2 H 1 2.64 0.02 . 2 . . . . 139 ASP HB2 . 11001 1 450 . 1 1 43 43 ASP HB3 H 1 2.84 0.02 . 2 . . . . 139 ASP HB3 . 11001 1 451 . 1 1 43 43 ASP C C 13 176.9 0.2 . 1 . . . . 139 ASP C . 11001 1 452 . 1 1 43 43 ASP CA C 13 53.8 0.2 . 1 . . . . 139 ASP CA . 11001 1 453 . 1 1 43 43 ASP CB C 13 37.9 0.2 . 1 . . . . 139 ASP CB . 11001 1 454 . 1 1 43 43 ASP N N 15 115.5 0.2 . 1 . . . . 139 ASP N . 11001 1 455 . 1 1 44 44 GLU H H 1 8.26 0.02 . 1 . . . . 140 GLU HN . 11001 1 456 . 1 1 44 44 GLU HA H 1 3.77 0.02 . 1 . . . . 140 GLU HA . 11001 1 457 . 1 1 44 44 GLU HB2 H 1 2.31 0.02 . 1 . . . . 140 GLU HB2 . 11001 1 458 . 1 1 44 44 GLU HB3 H 1 2.31 0.02 . 1 . . . . 140 GLU HB3 . 11001 1 459 . 1 1 44 44 GLU HG2 H 1 2.01 0.02 . 1 . . . . 140 GLU HG2 . 11001 1 460 . 1 1 44 44 GLU HG3 H 1 2.01 0.02 . 1 . . . . 140 GLU HG3 . 11001 1 461 . 1 1 44 44 GLU C C 13 176.0 0.2 . 1 . . . . 140 GLU C . 11001 1 462 . 1 1 44 44 GLU CA C 13 55.9 0.2 . 1 . . . . 140 GLU CA . 11001 1 463 . 1 1 44 44 GLU CB C 13 26.2 0.2 . 1 . . . . 140 GLU CB . 11001 1 464 . 1 1 44 44 GLU CG C 13 33.7 0.2 . 1 . . . . 140 GLU CG . 11001 1 465 . 1 1 44 44 GLU N N 15 122.9 0.2 . 1 . . . . 140 GLU N . 11001 1 466 . 1 1 45 45 LEU H H 1 8.62 0.02 . 1 . . . . 141 LEU HN . 11001 1 467 . 1 1 45 45 LEU HA H 1 3.50 0.02 . 1 . . . . 141 LEU HA . 11001 1 468 . 1 1 45 45 LEU HB2 H 1 1.06 0.02 . 2 . . . . 141 LEU HB2 . 11001 1 469 . 1 1 45 45 LEU HB3 H 1 0.00 0.02 . 2 . . . . 141 LEU HB3 . 11001 1 470 . 1 1 45 45 LEU HG H 1 0.86 0.02 . 1 . . . . 141 LEU HG . 11001 1 471 . 1 1 45 45 LEU HD11 H 1 -0.29 0.02 . 2 . . . . 141 LEU HD1 . 11001 1 472 . 1 1 45 45 LEU HD12 H 1 -0.29 0.02 . 2 . . . . 141 LEU HD1 . 11001 1 473 . 1 1 45 45 LEU HD13 H 1 -0.29 0.02 . 2 . . . . 141 LEU HD1 . 11001 1 474 . 1 1 45 45 LEU HD21 H 1 0.04 0.02 . 2 . . . . 141 LEU HD2 . 11001 1 475 . 1 1 45 45 LEU HD22 H 1 0.04 0.02 . 2 . . . . 141 LEU HD2 . 11001 1 476 . 1 1 45 45 LEU HD23 H 1 0.04 0.02 . 2 . . . . 141 LEU HD2 . 11001 1 477 . 1 1 45 45 LEU C C 13 176.4 0.2 . 1 . . . . 141 LEU C . 11001 1 478 . 1 1 45 45 LEU CA C 13 54.0 0.2 . 1 . . . . 141 LEU CA . 11001 1 479 . 1 1 45 45 LEU CB C 13 38.4 0.2 . 1 . . . . 141 LEU CB . 11001 1 480 . 1 1 45 45 LEU CG C 13 22.9 0.2 . 1 . . . . 141 LEU CG . 11001 1 481 . 1 1 45 45 LEU CD1 C 13 21.9 0.2 . 1 . . . . 141 LEU CD1 . 11001 1 482 . 1 1 45 45 LEU CD2 C 13 20.9 0.2 . 1 . . . . 141 LEU CD2 . 11001 1 483 . 1 1 45 45 LEU N N 15 120.0 0.2 . 1 . . . . 141 LEU N . 11001 1 484 . 1 1 46 46 GLU H H 1 7.41 0.02 . 1 . . . . 142 GLU HN . 11001 1 485 . 1 1 46 46 GLU HA H 1 4.17 0.02 . 1 . . . . 142 GLU HA . 11001 1 486 . 1 1 46 46 GLU HB2 H 1 2.02 0.02 . 2 . . . . 142 GLU HB2 . 11001 1 487 . 1 1 46 46 GLU HB3 H 1 2.06 0.02 . 2 . . . . 142 GLU HB3 . 11001 1 488 . 1 1 46 46 GLU HG2 H 1 2.34 0.02 . 2 . . . . 142 GLU HG2 . 11001 1 489 . 1 1 46 46 GLU HG3 H 1 2.23 0.02 . 2 . . . . 142 GLU HG3 . 11001 1 490 . 1 1 46 46 GLU C C 13 175.8 0.2 . 1 . . . . 142 GLU C . 11001 1 491 . 1 1 46 46 GLU CA C 13 56.4 0.2 . 1 . . . . 142 GLU CA . 11001 1 492 . 1 1 46 46 GLU CB C 13 25.9 0.2 . 1 . . . . 142 GLU CB . 11001 1 493 . 1 1 46 46 GLU CG C 13 32.8 0.2 . 1 . . . . 142 GLU CG . 11001 1 494 . 1 1 46 46 GLU N N 15 119.1 0.2 . 1 . . . . 142 GLU N . 11001 1 495 . 1 1 47 47 LYS H H 1 7.51 0.02 . 1 . . . . 143 LYS HN . 11001 1 496 . 1 1 47 47 LYS HA H 1 3.85 0.02 . 1 . . . . 143 LYS HA . 11001 1 497 . 1 1 47 47 LYS HB2 H 1 1.46 0.02 . 2 . . . . 143 LYS HB2 . 11001 1 498 . 1 1 47 47 LYS HB3 H 1 1.33 0.02 . 2 . . . . 143 LYS HB3 . 11001 1 499 . 1 1 47 47 LYS HG2 H 1 1.68 0.02 . 2 . . . . 143 LYS HG2 . 11001 1 500 . 1 1 47 47 LYS HG3 H 1 1.74 0.02 . 2 . . . . 143 LYS HG3 . 11001 1 501 . 1 1 47 47 LYS HD2 H 1 2.01 0.02 . 1 . . . . 143 LYS HD2 . 11001 1 502 . 1 1 47 47 LYS HD3 H 1 2.01 0.02 . 1 . . . . 143 LYS HD3 . 11001 1 503 . 1 1 47 47 LYS HE2 H 1 2.86 0.02 . 1 . . . . 143 LYS HE2 . 11001 1 504 . 1 1 47 47 LYS HE3 H 1 2.86 0.02 . 1 . . . . 143 LYS HE3 . 11001 1 505 . 1 1 47 47 LYS C C 13 174.8 0.2 . 1 . . . . 143 LYS C . 11001 1 506 . 1 1 47 47 LYS CA C 13 56.8 0.2 . 1 . . . . 143 LYS CA . 11001 1 507 . 1 1 47 47 LYS CB C 13 28.7 0.2 . 1 . . . . 143 LYS CB . 11001 1 508 . 1 1 47 47 LYS N N 15 121.5 0.2 . 1 . . . . 143 LYS N . 11001 1 509 . 1 1 48 48 LEU H H 1 8.21 0.02 . 1 . . . . 144 LEU HN . 11001 1 510 . 1 1 48 48 LEU HA H 1 3.62 0.02 . 1 . . . . 144 LEU HA . 11001 1 511 . 1 1 48 48 LEU HB2 H 1 2.01 0.02 . 2 . . . . 144 LEU HB2 . 11001 1 512 . 1 1 48 48 LEU HB3 H 1 1.36 0.02 . 2 . . . . 144 LEU HB3 . 11001 1 513 . 1 1 48 48 LEU HG H 1 1.23 0.02 . 1 . . . . 144 LEU HG . 11001 1 514 . 1 1 48 48 LEU HD11 H 1 0.76 0.02 . 2 . . . . 144 LEU HD1 . 11001 1 515 . 1 1 48 48 LEU HD12 H 1 0.76 0.02 . 2 . . . . 144 LEU HD1 . 11001 1 516 . 1 1 48 48 LEU HD13 H 1 0.76 0.02 . 2 . . . . 144 LEU HD1 . 11001 1 517 . 1 1 48 48 LEU HD21 H 1 0.63 0.02 . 2 . . . . 144 LEU HD2 . 11001 1 518 . 1 1 48 48 LEU HD22 H 1 0.63 0.02 . 2 . . . . 144 LEU HD2 . 11001 1 519 . 1 1 48 48 LEU HD23 H 1 0.63 0.02 . 2 . . . . 144 LEU HD2 . 11001 1 520 . 1 1 48 48 LEU C C 13 175.9 0.2 . 1 . . . . 144 LEU C . 11001 1 521 . 1 1 48 48 LEU CA C 13 56.3 0.2 . 1 . . . . 144 LEU CA . 11001 1 522 . 1 1 48 48 LEU CB C 13 38.9 0.2 . 1 . . . . 144 LEU CB . 11001 1 523 . 1 1 48 48 LEU CG C 13 24.5 0.2 . 1 . . . . 144 LEU CG . 11001 1 524 . 1 1 48 48 LEU CD1 C 13 23.9 0.2 . 1 . . . . 144 LEU CD1 . 11001 1 525 . 1 1 48 48 LEU CD2 C 13 23.3 0.2 . 1 . . . . 144 LEU CD2 . 11001 1 526 . 1 1 48 48 LEU N N 15 119.6 0.2 . 1 . . . . 144 LEU N . 11001 1 527 . 1 1 49 49 VAL H H 1 8.31 0.02 . 1 . . . . 145 VAL HN . 11001 1 528 . 1 1 49 49 VAL HA H 1 3.44 0.02 . 1 . . . . 145 VAL HA . 11001 1 529 . 1 1 49 49 VAL HB H 1 2.31 0.02 . 1 . . . . 145 VAL HB . 11001 1 530 . 1 1 49 49 VAL HG11 H 1 0.96 0.02 . 2 . . . . 145 VAL HG1 . 11001 1 531 . 1 1 49 49 VAL HG12 H 1 0.96 0.02 . 2 . . . . 145 VAL HG1 . 11001 1 532 . 1 1 49 49 VAL HG13 H 1 0.96 0.02 . 2 . . . . 145 VAL HG1 . 11001 1 533 . 1 1 49 49 VAL HG21 H 1 1.15 0.02 . 2 . . . . 145 VAL HG2 . 11001 1 534 . 1 1 49 49 VAL HG22 H 1 1.15 0.02 . 2 . . . . 145 VAL HG2 . 11001 1 535 . 1 1 49 49 VAL HG23 H 1 1.15 0.02 . 2 . . . . 145 VAL HG2 . 11001 1 536 . 1 1 49 49 VAL C C 13 174.8 0.2 . 1 . . . . 145 VAL C . 11001 1 537 . 1 1 49 49 VAL CA C 13 63.5 0.2 . 1 . . . . 145 VAL CA . 11001 1 538 . 1 1 49 49 VAL CB C 13 28.0 0.2 . 1 . . . . 145 VAL CB . 11001 1 539 . 1 1 49 49 VAL CG1 C 13 19.5 0.2 . 1 . . . . 145 VAL CG1 . 11001 1 540 . 1 1 49 49 VAL CG2 C 13 18.6 0.2 . 1 . . . . 145 VAL CG2 . 11001 1 541 . 1 1 49 49 VAL N N 15 114.0 0.2 . 1 . . . . 145 VAL N . 11001 1 542 . 1 1 50 50 GLN H H 1 8.38 0.02 . 1 . . . . 146 GLN HN . 11001 1 543 . 1 1 50 50 GLN HA H 1 4.01 0.02 . 1 . . . . 146 GLN HA . 11001 1 544 . 1 1 50 50 GLN HB2 H 1 1.99 0.02 . 2 . . . . 146 GLN HB2 . 11001 1 545 . 1 1 50 50 GLN HB3 H 1 2.32 0.02 . 2 . . . . 146 GLN HB3 . 11001 1 546 . 1 1 50 50 GLN HG2 H 1 2.46 0.02 . 2 . . . . 146 GLN HG2 . 11001 1 547 . 1 1 50 50 GLN HG3 H 1 2.39 0.02 . 2 . . . . 146 GLN HG3 . 11001 1 548 . 1 1 50 50 GLN HE21 H 1 6.76 0.02 . 2 . . . . 146 GLN HE21 . 11001 1 549 . 1 1 50 50 GLN HE22 H 1 7.60 0.02 . 2 . . . . 146 GLN HE22 . 11001 1 550 . 1 1 50 50 GLN C C 13 176.7 0.2 . 1 . . . . 146 GLN C . 11001 1 551 . 1 1 50 50 GLN CA C 13 56.3 0.2 . 1 . . . . 146 GLN CA . 11001 1 552 . 1 1 50 50 GLN CB C 13 24.3 0.2 . 1 . . . . 146 GLN CB . 11001 1 553 . 1 1 50 50 GLN CG C 13 30.8 0.2 . 1 . . . . 146 GLN CG . 11001 1 554 . 1 1 50 50 GLN CD C 13 177.6 0.2 . 1 . . . . 146 GLN CD . 11001 1 555 . 1 1 50 50 GLN N N 15 123.2 0.2 . 1 . . . . 146 GLN N . 11001 1 556 . 1 1 50 50 GLN NE2 N 15 111.8 0.2 . 1 . . . . 146 GLN NE2 . 11001 1 557 . 1 1 51 51 VAL H H 1 8.07 0.02 . 1 . . . . 147 VAL HN . 11001 1 558 . 1 1 51 51 VAL HA H 1 3.36 0.02 . 1 . . . . 147 VAL HA . 11001 1 559 . 1 1 51 51 VAL HB H 1 2.38 0.02 . 1 . . . . 147 VAL HB . 11001 1 560 . 1 1 51 51 VAL HG11 H 1 1.03 0.02 . 2 . . . . 147 VAL HG1 . 11001 1 561 . 1 1 51 51 VAL HG12 H 1 1.03 0.02 . 2 . . . . 147 VAL HG1 . 11001 1 562 . 1 1 51 51 VAL HG13 H 1 1.03 0.02 . 2 . . . . 147 VAL HG1 . 11001 1 563 . 1 1 51 51 VAL HG21 H 1 0.62 0.02 . 2 . . . . 147 VAL HG2 . 11001 1 564 . 1 1 51 51 VAL HG22 H 1 0.62 0.02 . 2 . . . . 147 VAL HG2 . 11001 1 565 . 1 1 51 51 VAL HG23 H 1 0.62 0.02 . 2 . . . . 147 VAL HG2 . 11001 1 566 . 1 1 51 51 VAL C C 13 174.8 0.2 . 1 . . . . 147 VAL C . 11001 1 567 . 1 1 51 51 VAL CA C 13 63.5 0.2 . 1 . . . . 147 VAL CA . 11001 1 568 . 1 1 51 51 VAL CB C 13 27.9 0.2 . 1 . . . . 147 VAL CB . 11001 1 569 . 1 1 51 51 VAL CG1 C 13 20.0 0.2 . 1 . . . . 147 VAL CG1 . 11001 1 570 . 1 1 51 51 VAL CG2 C 13 18.3 0.2 . 1 . . . . 147 VAL CG2 . 11001 1 571 . 1 1 51 51 VAL N N 15 120.9 0.2 . 1 . . . . 147 VAL N . 11001 1 572 . 1 1 52 52 VAL H H 1 7.53 0.02 . 1 . . . . 148 VAL HN . 11001 1 573 . 1 1 52 52 VAL HA H 1 3.17 0.02 . 1 . . . . 148 VAL HA . 11001 1 574 . 1 1 52 52 VAL HB H 1 1.95 0.02 . 1 . . . . 148 VAL HB . 11001 1 575 . 1 1 52 52 VAL HG11 H 1 0.45 0.02 . 2 . . . . 148 VAL HG1 . 11001 1 576 . 1 1 52 52 VAL HG12 H 1 0.45 0.02 . 2 . . . . 148 VAL HG1 . 11001 1 577 . 1 1 52 52 VAL HG13 H 1 0.45 0.02 . 2 . . . . 148 VAL HG1 . 11001 1 578 . 1 1 52 52 VAL HG21 H 1 0.66 0.02 . 2 . . . . 148 VAL HG2 . 11001 1 579 . 1 1 52 52 VAL HG22 H 1 0.66 0.02 . 2 . . . . 148 VAL HG2 . 11001 1 580 . 1 1 52 52 VAL HG23 H 1 0.66 0.02 . 2 . . . . 148 VAL HG2 . 11001 1 581 . 1 1 52 52 VAL C C 13 175.0 0.2 . 1 . . . . 148 VAL C . 11001 1 582 . 1 1 52 52 VAL CA C 13 64.5 0.2 . 1 . . . . 148 VAL CA . 11001 1 583 . 1 1 52 52 VAL CB C 13 27.6 0.2 . 1 . . . . 148 VAL CB . 11001 1 584 . 1 1 52 52 VAL CG1 C 13 17.8 0.2 . 1 . . . . 148 VAL CG1 . 11001 1 585 . 1 1 52 52 VAL CG2 C 13 20.0 0.2 . 1 . . . . 148 VAL CG2 . 11001 1 586 . 1 1 52 52 VAL N N 15 117.7 0.2 . 1 . . . . 148 VAL N . 11001 1 587 . 1 1 53 53 ARG H H 1 8.70 0.02 . 1 . . . . 149 ARG HN . 11001 1 588 . 1 1 53 53 ARG HA H 1 4.27 0.02 . 1 . . . . 149 ARG HA . 11001 1 589 . 1 1 53 53 ARG HB2 H 1 1.77 0.02 . 1 . . . . 149 ARG HB2 . 11001 1 590 . 1 1 53 53 ARG HB3 H 1 1.77 0.02 . 1 . . . . 149 ARG HB3 . 11001 1 591 . 1 1 53 53 ARG HG2 H 1 2.01 0.02 . 2 . . . . 149 ARG HG2 . 11001 1 592 . 1 1 53 53 ARG HG3 H 1 1.94 0.02 . 2 . . . . 149 ARG HG3 . 11001 1 593 . 1 1 53 53 ARG HD2 H 1 3.21 0.02 . 1 . . . . 149 ARG HD2 . 11001 1 594 . 1 1 53 53 ARG HD3 H 1 3.21 0.02 . 1 . . . . 149 ARG HD3 . 11001 1 595 . 1 1 53 53 ARG C C 13 177.2 0.2 . 1 . . . . 149 ARG C . 11001 1 596 . 1 1 53 53 ARG CA C 13 56.6 0.2 . 1 . . . . 149 ARG CA . 11001 1 597 . 1 1 53 53 ARG CB C 13 26.8 0.2 . 1 . . . . 149 ARG CB . 11001 1 598 . 1 1 53 53 ARG CG C 13 24.5 0.2 . 1 . . . . 149 ARG CG . 11001 1 599 . 1 1 53 53 ARG CD C 13 40.3 0.2 . 1 . . . . 149 ARG CD . 11001 1 600 . 1 1 53 53 ARG N N 15 118.0 0.2 . 1 . . . . 149 ARG N . 11001 1 601 . 1 1 54 54 GLN H H 1 8.03 0.02 . 1 . . . . 150 GLN HN . 11001 1 602 . 1 1 54 54 GLN HA H 1 3.98 0.02 . 1 . . . . 150 GLN HA . 11001 1 603 . 1 1 54 54 GLN HB2 H 1 2.20 0.02 . 2 . . . . 150 GLN HB2 . 11001 1 604 . 1 1 54 54 GLN HB3 H 1 1.98 0.02 . 2 . . . . 150 GLN HB3 . 11001 1 605 . 1 1 54 54 GLN HG2 H 1 2.50 0.02 . 2 . . . . 150 GLN HG2 . 11001 1 606 . 1 1 54 54 GLN HG3 H 1 2.31 0.02 . 2 . . . . 150 GLN HG3 . 11001 1 607 . 1 1 54 54 GLN HE21 H 1 7.29 0.02 . 2 . . . . 150 GLN HE21 . 11001 1 608 . 1 1 54 54 GLN HE22 H 1 6.34 0.02 . 2 . . . . 150 GLN HE22 . 11001 1 609 . 1 1 54 54 GLN C C 13 176.2 0.2 . 1 . . . . 150 GLN C . 11001 1 610 . 1 1 54 54 GLN CA C 13 56.3 0.2 . 1 . . . . 150 GLN CA . 11001 1 611 . 1 1 54 54 GLN CB C 13 24.9 0.2 . 1 . . . . 150 GLN CB . 11001 1 612 . 1 1 54 54 GLN CG C 13 30.9 0.2 . 1 . . . . 150 GLN CG . 11001 1 613 . 1 1 54 54 GLN CD C 13 177.2 0.2 . 1 . . . . 150 GLN CD . 11001 1 614 . 1 1 54 54 GLN N N 15 119.3 0.2 . 1 . . . . 150 GLN N . 11001 1 615 . 1 1 54 54 GLN NE2 N 15 109.9 0.2 . 1 . . . . 150 GLN NE2 . 11001 1 616 . 1 1 55 55 LEU H H 1 8.01 0.02 . 1 . . . . 151 LEU HN . 11001 1 617 . 1 1 55 55 LEU HA H 1 4.05 0.02 . 1 . . . . 151 LEU HA . 11001 1 618 . 1 1 55 55 LEU HB2 H 1 1.75 0.02 . 2 . . . . 151 LEU HB2 . 11001 1 619 . 1 1 55 55 LEU HB3 H 1 1.36 0.02 . 2 . . . . 151 LEU HB3 . 11001 1 620 . 1 1 55 55 LEU HG H 1 0.99 0.02 . 1 . . . . 151 LEU HG . 11001 1 621 . 1 1 55 55 LEU HD11 H 1 0.57 0.02 . 2 . . . . 151 LEU HD1 . 11001 1 622 . 1 1 55 55 LEU HD12 H 1 0.57 0.02 . 2 . . . . 151 LEU HD1 . 11001 1 623 . 1 1 55 55 LEU HD13 H 1 0.57 0.02 . 2 . . . . 151 LEU HD1 . 11001 1 624 . 1 1 55 55 LEU HD21 H 1 0.64 0.02 . 2 . . . . 151 LEU HD2 . 11001 1 625 . 1 1 55 55 LEU HD22 H 1 0.64 0.02 . 2 . . . . 151 LEU HD2 . 11001 1 626 . 1 1 55 55 LEU HD23 H 1 0.64 0.02 . 2 . . . . 151 LEU HD2 . 11001 1 627 . 1 1 55 55 LEU C C 13 176.7 0.2 . 1 . . . . 151 LEU C . 11001 1 628 . 1 1 55 55 LEU CA C 13 54.4 0.2 . 1 . . . . 151 LEU CA . 11001 1 629 . 1 1 55 55 LEU CB C 13 37.8 0.2 . 1 . . . . 151 LEU CB . 11001 1 630 . 1 1 55 55 LEU CG C 13 23.7 0.2 . 1 . . . . 151 LEU CG . 11001 1 631 . 1 1 55 55 LEU CD1 C 13 24.3 0.2 . 1 . . . . 151 LEU CD1 . 11001 1 632 . 1 1 55 55 LEU CD2 C 13 19.2 0.2 . 1 . . . . 151 LEU CD2 . 11001 1 633 . 1 1 55 55 LEU N N 15 119.6 0.2 . 1 . . . . 151 LEU N . 11001 1 634 . 1 1 56 56 GLU H H 1 8.56 0.02 . 1 . . . . 152 GLU HN . 11001 1 635 . 1 1 56 56 GLU HA H 1 4.09 0.02 . 1 . . . . 152 GLU HA . 11001 1 636 . 1 1 56 56 GLU HB2 H 1 2.21 0.02 . 2 . . . . 152 GLU HB2 . 11001 1 637 . 1 1 56 56 GLU HB3 H 1 1.93 0.02 . 2 . . . . 152 GLU HB3 . 11001 1 638 . 1 1 56 56 GLU HG2 H 1 2.42 0.02 . 1 . . . . 152 GLU HG2 . 11001 1 639 . 1 1 56 56 GLU HG3 H 1 2.42 0.02 . 1 . . . . 152 GLU HG3 . 11001 1 640 . 1 1 56 56 GLU C C 13 174.5 0.2 . 1 . . . . 152 GLU C . 11001 1 641 . 1 1 56 56 GLU CA C 13 55.0 0.2 . 1 . . . . 152 GLU CA . 11001 1 642 . 1 1 56 56 GLU CB C 13 26.5 0.2 . 1 . . . . 152 GLU CB . 11001 1 643 . 1 1 56 56 GLU CG C 13 33.7 0.2 . 1 . . . . 152 GLU CG . 11001 1 644 . 1 1 56 56 GLU N N 15 117.3 0.2 . 1 . . . . 152 GLU N . 11001 1 645 . 1 1 57 57 ALA H H 1 7.11 0.02 . 1 . . . . 153 ALA HN . 11001 1 646 . 1 1 57 57 ALA HA H 1 4.25 0.02 . 1 . . . . 153 ALA HA . 11001 1 647 . 1 1 57 57 ALA HB1 H 1 1.48 0.02 . 1 . . . . 153 ALA HB . 11001 1 648 . 1 1 57 57 ALA HB2 H 1 1.48 0.02 . 1 . . . . 153 ALA HB . 11001 1 649 . 1 1 57 57 ALA HB3 H 1 1.48 0.02 . 1 . . . . 153 ALA HB . 11001 1 650 . 1 1 57 57 ALA C C 13 174.5 0.2 . 1 . . . . 153 ALA C . 11001 1 651 . 1 1 57 57 ALA CA C 13 49.5 0.2 . 1 . . . . 153 ALA CA . 11001 1 652 . 1 1 57 57 ALA CB C 13 15.6 0.2 . 1 . . . . 153 ALA CB . 11001 1 653 . 1 1 57 57 ALA N N 15 119.7 0.2 . 1 . . . . 153 ALA N . 11001 1 654 . 1 1 58 58 GLU H H 1 7.38 0.02 . 1 . . . . 154 GLU HN . 11001 1 655 . 1 1 58 58 GLU HA H 1 4.72 0.02 . 1 . . . . 154 GLU HA . 11001 1 656 . 1 1 58 58 GLU HB2 H 1 2.06 0.02 . 2 . . . . 154 GLU HB2 . 11001 1 657 . 1 1 58 58 GLU HB3 H 1 2.03 0.02 . 2 . . . . 154 GLU HB3 . 11001 1 658 . 1 1 58 58 GLU HG2 H 1 2.12 0.02 . 2 . . . . 154 GLU HG2 . 11001 1 659 . 1 1 58 58 GLU HG3 H 1 2.26 0.02 . 2 . . . . 154 GLU HG3 . 11001 1 660 . 1 1 58 58 GLU CA C 13 50.2 0.2 . 1 . . . . 154 GLU CA . 11001 1 661 . 1 1 58 58 GLU CB C 13 26.6 0.2 . 1 . . . . 154 GLU CB . 11001 1 662 . 1 1 58 58 GLU CG C 13 32.5 0.2 . 1 . . . . 154 GLU CG . 11001 1 663 . 1 1 58 58 GLU N N 15 121.6 0.2 . 1 . . . . 154 GLU N . 11001 1 664 . 1 1 59 59 PRO HA H 1 4.38 0.02 . 1 . . . . 155 PRO HA . 11001 1 665 . 1 1 59 59 PRO HB2 H 1 1.89 0.02 . 2 . . . . 155 PRO HB2 . 11001 1 666 . 1 1 59 59 PRO HB3 H 1 2.27 0.02 . 2 . . . . 155 PRO HB3 . 11001 1 667 . 1 1 59 59 PRO HG2 H 1 1.95 0.02 . 2 . . . . 155 PRO HG2 . 11001 1 668 . 1 1 59 59 PRO HG3 H 1 2.02 0.02 . 2 . . . . 155 PRO HG3 . 11001 1 669 . 1 1 59 59 PRO HD2 H 1 3.75 0.02 . 2 . . . . 155 PRO HD2 . 11001 1 670 . 1 1 59 59 PRO HD3 H 1 4.01 0.02 . 2 . . . . 155 PRO HD3 . 11001 1 671 . 1 1 59 59 PRO C C 13 175.3 0.2 . 1 . . . . 155 PRO C . 11001 1 672 . 1 1 59 59 PRO CA C 13 60.8 0.2 . 1 . . . . 155 PRO CA . 11001 1 673 . 1 1 59 59 PRO CB C 13 28.9 0.2 . 1 . . . . 155 PRO CB . 11001 1 674 . 1 1 59 59 PRO CG C 13 24.1 0.2 . 1 . . . . 155 PRO CG . 11001 1 675 . 1 1 59 59 PRO CD C 13 48.1 0.2 . 1 . . . . 155 PRO CD . 11001 1 676 . 1 1 60 60 GLY H H 1 8.66 0.02 . 1 . . . . 156 GLY HN . 11001 1 677 . 1 1 60 60 GLY HA2 H 1 3.82 0.02 . 2 . . . . 156 GLY HA1 . 11001 1 678 . 1 1 60 60 GLY HA3 H 1 4.02 0.02 . 2 . . . . 156 GLY HA2 . 11001 1 679 . 1 1 60 60 GLY C C 13 172.2 0.2 . 1 . . . . 156 GLY C . 11001 1 680 . 1 1 60 60 GLY CA C 13 42.4 0.2 . 1 . . . . 156 GLY CA . 11001 1 681 . 1 1 60 60 GLY N N 15 108.4 0.2 . 1 . . . . 156 GLY N . 11001 1 682 . 1 1 61 61 LEU H H 1 7.35 0.02 . 1 . . . . 157 LEU HN . 11001 1 683 . 1 1 61 61 LEU HA H 1 4.69 0.02 . 1 . . . . 157 LEU HA . 11001 1 684 . 1 1 61 61 LEU HB2 H 1 1.80 0.02 . 2 . . . . 157 LEU HB2 . 11001 1 685 . 1 1 61 61 LEU HB3 H 1 1.45 0.02 . 2 . . . . 157 LEU HB3 . 11001 1 686 . 1 1 61 61 LEU HD11 H 1 0.86 0.02 . 2 . . . . 157 LEU HD1 . 11001 1 687 . 1 1 61 61 LEU HD12 H 1 0.86 0.02 . 2 . . . . 157 LEU HD1 . 11001 1 688 . 1 1 61 61 LEU HD13 H 1 0.86 0.02 . 2 . . . . 157 LEU HD1 . 11001 1 689 . 1 1 61 61 LEU HD21 H 1 0.97 0.02 . 2 . . . . 157 LEU HD2 . 11001 1 690 . 1 1 61 61 LEU HD22 H 1 0.97 0.02 . 2 . . . . 157 LEU HD2 . 11001 1 691 . 1 1 61 61 LEU HD23 H 1 0.97 0.02 . 2 . . . . 157 LEU HD2 . 11001 1 692 . 1 1 61 61 LEU CA C 13 50.0 0.2 . 1 . . . . 157 LEU CA . 11001 1 693 . 1 1 61 61 LEU CB C 13 37.5 0.2 . 1 . . . . 157 LEU CB . 11001 1 694 . 1 1 61 61 LEU CD1 C 13 19.1 0.2 . 1 . . . . 157 LEU CD1 . 11001 1 695 . 1 1 61 61 LEU CD2 C 13 23.6 0.2 . 1 . . . . 157 LEU CD2 . 11001 1 696 . 1 1 61 61 LEU N N 15 121.1 0.2 . 1 . . . . 157 LEU N . 11001 1 697 . 1 1 62 62 PRO HA H 1 4.76 0.02 . 1 . . . . 158 PRO HA . 11001 1 698 . 1 1 62 62 PRO HB2 H 1 2.14 0.02 . 2 . . . . 158 PRO HB2 . 11001 1 699 . 1 1 62 62 PRO HB3 H 1 2.61 0.02 . 2 . . . . 158 PRO HB3 . 11001 1 700 . 1 1 62 62 PRO HG2 H 1 2.36 0.02 . 2 . . . . 158 PRO HG2 . 11001 1 701 . 1 1 62 62 PRO HG3 H 1 2.04 0.02 . 2 . . . . 158 PRO HG3 . 11001 1 702 . 1 1 62 62 PRO HD2 H 1 3.81 0.02 . 2 . . . . 158 PRO HD2 . 11001 1 703 . 1 1 62 62 PRO HD3 H 1 3.93 0.02 . 2 . . . . 158 PRO HD3 . 11001 1 704 . 1 1 62 62 PRO CA C 13 58.6 0.2 . 1 . . . . 158 PRO CA . 11001 1 705 . 1 1 62 62 PRO CB C 13 28.7 0.2 . 1 . . . . 158 PRO CB . 11001 1 706 . 1 1 62 62 PRO CG C 13 24.3 0.2 . 1 . . . . 158 PRO CG . 11001 1 707 . 1 1 62 62 PRO CD C 13 47.8 0.2 . 1 . . . . 158 PRO CD . 11001 1 708 . 1 1 63 63 PRO HA H 1 4.50 0.02 . 1 . . . . 159 PRO HA . 11001 1 709 . 1 1 63 63 PRO HB2 H 1 2.31 0.02 . 2 . . . . 159 PRO HB2 . 11001 1 710 . 1 1 63 63 PRO HB3 H 1 1.93 0.02 . 2 . . . . 159 PRO HB3 . 11001 1 711 . 1 1 63 63 PRO HG2 H 1 2.11 0.02 . 2 . . . . 159 PRO HG2 . 11001 1 712 . 1 1 63 63 PRO HG3 H 1 2.16 0.02 . 2 . . . . 159 PRO HG3 . 11001 1 713 . 1 1 63 63 PRO HD2 H 1 3.84 0.02 . 2 . . . . 159 PRO HD2 . 11001 1 714 . 1 1 63 63 PRO HD3 H 1 3.79 0.02 . 2 . . . . 159 PRO HD3 . 11001 1 715 . 1 1 63 63 PRO C C 13 173.7 0.2 . 1 . . . . 159 PRO C . 11001 1 716 . 1 1 63 63 PRO CA C 13 59.6 0.2 . 1 . . . . 159 PRO CA . 11001 1 717 . 1 1 63 63 PRO CB C 13 29.5 0.2 . 1 . . . . 159 PRO CB . 11001 1 718 . 1 1 63 63 PRO CG C 13 24.8 0.2 . 1 . . . . 159 PRO CG . 11001 1 719 . 1 1 63 63 PRO CD C 13 47.5 0.2 . 1 . . . . 159 PRO CD . 11001 1 720 . 1 1 64 64 VAL H H 1 8.44 0.02 . 1 . . . . 160 VAL HN . 11001 1 721 . 1 1 64 64 VAL HA H 1 4.84 0.02 . 1 . . . . 160 VAL HA . 11001 1 722 . 1 1 64 64 VAL HB H 1 1.77 0.02 . 1 . . . . 160 VAL HB . 11001 1 723 . 1 1 64 64 VAL HG11 H 1 0.69 0.02 . 2 . . . . 160 VAL HG1 . 11001 1 724 . 1 1 64 64 VAL HG12 H 1 0.69 0.02 . 2 . . . . 160 VAL HG1 . 11001 1 725 . 1 1 64 64 VAL HG13 H 1 0.69 0.02 . 2 . . . . 160 VAL HG1 . 11001 1 726 . 1 1 64 64 VAL HG21 H 1 0.68 0.02 . 2 . . . . 160 VAL HG2 . 11001 1 727 . 1 1 64 64 VAL HG22 H 1 0.68 0.02 . 2 . . . . 160 VAL HG2 . 11001 1 728 . 1 1 64 64 VAL HG23 H 1 0.68 0.02 . 2 . . . . 160 VAL HG2 . 11001 1 729 . 1 1 64 64 VAL C C 13 171.7 0.2 . 1 . . . . 160 VAL C . 11001 1 730 . 1 1 64 64 VAL CA C 13 56.1 0.2 . 1 . . . . 160 VAL CA . 11001 1 731 . 1 1 64 64 VAL CB C 13 31.2 0.2 . 1 . . . . 160 VAL CB . 11001 1 732 . 1 1 64 64 VAL CG1 C 13 19.2 0.2 . 1 . . . . 160 VAL CG1 . 11001 1 733 . 1 1 64 64 VAL CG2 C 13 18.0 0.2 . 1 . . . . 160 VAL CG2 . 11001 1 734 . 1 1 64 64 VAL N N 15 119.1 0.2 . 1 . . . . 160 VAL N . 11001 1 735 . 1 1 65 65 GLN H H 1 9.28 0.02 . 1 . . . . 161 GLN HN . 11001 1 736 . 1 1 65 65 GLN HA H 1 4.76 0.02 . 1 . . . . 161 GLN HA . 11001 1 737 . 1 1 65 65 GLN HB2 H 1 1.98 0.02 . 1 . . . . 161 GLN HB2 . 11001 1 738 . 1 1 65 65 GLN HB3 H 1 1.98 0.02 . 1 . . . . 161 GLN HB3 . 11001 1 739 . 1 1 65 65 GLN HG2 H 1 1.67 0.02 . 2 . . . . 161 GLN HG2 . 11001 1 740 . 1 1 65 65 GLN HG3 H 1 2.16 0.02 . 2 . . . . 161 GLN HG3 . 11001 1 741 . 1 1 65 65 GLN HE21 H 1 7.70 0.02 . 2 . . . . 161 GLN HE21 . 11001 1 742 . 1 1 65 65 GLN HE22 H 1 7.48 0.02 . 2 . . . . 161 GLN HE22 . 11001 1 743 . 1 1 65 65 GLN CA C 13 48.4 0.2 . 1 . . . . 161 GLN CA . 11001 1 744 . 1 1 65 65 GLN CB C 13 27.7 0.2 . 1 . . . . 161 GLN CB . 11001 1 745 . 1 1 65 65 GLN CG C 13 31.2 0.2 . 1 . . . . 161 GLN CG . 11001 1 746 . 1 1 65 65 GLN N N 15 126.9 0.2 . 1 . . . . 161 GLN N . 11001 1 747 . 1 1 65 65 GLN NE2 N 15 117.5 0.2 . 1 . . . . 161 GLN NE2 . 11001 1 748 . 1 1 66 66 PRO HA H 1 5.49 0.02 . 1 . . . . 162 PRO HA . 11001 1 749 . 1 1 66 66 PRO HB2 H 1 1.70 0.02 . 1 . . . . 162 PRO HB2 . 11001 1 750 . 1 1 66 66 PRO HB3 H 1 1.70 0.02 . 1 . . . . 162 PRO HB3 . 11001 1 751 . 1 1 66 66 PRO HD2 H 1 3.96 0.02 . 2 . . . . 162 PRO HD2 . 11001 1 752 . 1 1 66 66 PRO HD3 H 1 3.50 0.02 . 2 . . . . 162 PRO HD3 . 11001 1 753 . 1 1 66 66 PRO C C 13 174.5 0.2 . 1 . . . . 162 PRO C . 11001 1 754 . 1 1 66 66 PRO CA C 13 57.8 0.2 . 1 . . . . 162 PRO CA . 11001 1 755 . 1 1 66 66 PRO CB C 13 28.8 0.2 . 1 . . . . 162 PRO CB . 11001 1 756 . 1 1 66 66 PRO CG C 13 25.8 0.2 . 1 . . . . 162 PRO CG . 11001 1 757 . 1 1 66 66 PRO CD C 13 47.0 0.2 . 1 . . . . 162 PRO CD . 11001 1 758 . 1 1 67 67 VAL H H 1 9.22 0.02 . 1 . . . . 163 VAL HN . 11001 1 759 . 1 1 67 67 VAL HA H 1 4.86 0.02 . 1 . . . . 163 VAL HA . 11001 1 760 . 1 1 67 67 VAL HB H 1 1.54 0.02 . 1 . . . . 163 VAL HB . 11001 1 761 . 1 1 67 67 VAL HG11 H 1 0.47 0.02 . 2 . . . . 163 VAL HG1 . 11001 1 762 . 1 1 67 67 VAL HG12 H 1 0.47 0.02 . 2 . . . . 163 VAL HG1 . 11001 1 763 . 1 1 67 67 VAL HG13 H 1 0.47 0.02 . 2 . . . . 163 VAL HG1 . 11001 1 764 . 1 1 67 67 VAL HG21 H 1 0.44 0.02 . 2 . . . . 163 VAL HG2 . 11001 1 765 . 1 1 67 67 VAL HG22 H 1 0.44 0.02 . 2 . . . . 163 VAL HG2 . 11001 1 766 . 1 1 67 67 VAL HG23 H 1 0.44 0.02 . 2 . . . . 163 VAL HG2 . 11001 1 767 . 1 1 67 67 VAL C C 13 169.2 0.2 . 1 . . . . 163 VAL C . 11001 1 768 . 1 1 67 67 VAL CA C 13 57.7 0.2 . 1 . . . . 163 VAL CA . 11001 1 769 . 1 1 67 67 VAL CB C 13 33.1 0.2 . 1 . . . . 163 VAL CB . 11001 1 770 . 1 1 67 67 VAL CG1 C 13 19.1 0.2 . 1 . . . . 163 VAL CG1 . 11001 1 771 . 1 1 67 67 VAL CG2 C 13 18.5 0.2 . 1 . . . . 163 VAL CG2 . 11001 1 772 . 1 1 67 67 VAL N N 15 124.7 0.2 . 1 . . . . 163 VAL N . 11001 1 773 . 1 1 68 68 PHE H H 1 8.97 0.02 . 1 . . . . 164 PHE HN . 11001 1 774 . 1 1 68 68 PHE HA H 1 5.77 0.02 . 1 . . . . 164 PHE HA . 11001 1 775 . 1 1 68 68 PHE HB2 H 1 2.67 0.02 . 2 . . . . 164 PHE HB2 . 11001 1 776 . 1 1 68 68 PHE HB3 H 1 2.84 0.02 . 2 . . . . 164 PHE HB3 . 11001 1 777 . 1 1 68 68 PHE HD1 H 1 7.06 0.02 . 1 . . . . 164 PHE HD1 . 11001 1 778 . 1 1 68 68 PHE HD2 H 1 7.06 0.02 . 1 . . . . 164 PHE HD2 . 11001 1 779 . 1 1 68 68 PHE HE1 H 1 6.85 0.02 . 1 . . . . 164 PHE HE1 . 11001 1 780 . 1 1 68 68 PHE HE2 H 1 6.85 0.02 . 1 . . . . 164 PHE HE2 . 11001 1 781 . 1 1 68 68 PHE HZ H 1 6.38 0.02 . 1 . . . . 164 PHE HZ . 11001 1 782 . 1 1 68 68 PHE C C 13 169.6 0.2 . 1 . . . . 164 PHE C . 11001 1 783 . 1 1 68 68 PHE CA C 13 49.4 0.2 . 1 . . . . 164 PHE CA . 11001 1 784 . 1 1 68 68 PHE CB C 13 39.0 0.2 . 1 . . . . 164 PHE CB . 11001 1 785 . 1 1 68 68 PHE N N 15 127.5 0.2 . 1 . . . . 164 PHE N . 11001 1 786 . 1 1 69 69 ILE H H 1 8.56 0.02 . 1 . . . . 165 ILE HN . 11001 1 787 . 1 1 69 69 ILE HA H 1 4.06 0.02 . 1 . . . . 165 ILE HA . 11001 1 788 . 1 1 69 69 ILE HB H 1 0.20 0.02 . 1 . . . . 165 ILE HB . 11001 1 789 . 1 1 69 69 ILE HG12 H 1 0.02 0.02 . 2 . . . . 165 ILE HG12 . 11001 1 790 . 1 1 69 69 ILE HG13 H 1 0.59 0.02 . 2 . . . . 165 ILE HG13 . 11001 1 791 . 1 1 69 69 ILE HG21 H 1 0.26 0.02 . 1 . . . . 165 ILE HG2 . 11001 1 792 . 1 1 69 69 ILE HG22 H 1 0.26 0.02 . 1 . . . . 165 ILE HG2 . 11001 1 793 . 1 1 69 69 ILE HG23 H 1 0.26 0.02 . 1 . . . . 165 ILE HG2 . 11001 1 794 . 1 1 69 69 ILE HD11 H 1 -0.49 0.02 . 1 . . . . 165 ILE HD1 . 11001 1 795 . 1 1 69 69 ILE HD12 H 1 -0.49 0.02 . 1 . . . . 165 ILE HD1 . 11001 1 796 . 1 1 69 69 ILE HD13 H 1 -0.49 0.02 . 1 . . . . 165 ILE HD1 . 11001 1 797 . 1 1 69 69 ILE C C 13 171.0 0.2 . 1 . . . . 165 ILE C . 11001 1 798 . 1 1 69 69 ILE CA C 13 57.0 0.2 . 1 . . . . 165 ILE CA . 11001 1 799 . 1 1 69 69 ILE CB C 13 35.8 0.2 . 1 . . . . 165 ILE CB . 11001 1 800 . 1 1 69 69 ILE CG1 C 13 25.4 0.2 . 1 . . . . 165 ILE CG1 . 11001 1 801 . 1 1 69 69 ILE CG2 C 13 14.2 0.2 . 1 . . . . 165 ILE CG2 . 11001 1 802 . 1 1 69 69 ILE CD1 C 13 10.3 0.2 . 1 . . . . 165 ILE CD1 . 11001 1 803 . 1 1 69 69 ILE N N 15 129.0 0.2 . 1 . . . . 165 ILE N . 11001 1 804 . 1 1 70 70 THR H H 1 6.84 0.02 . 1 . . . . 166 THR HN . 11001 1 805 . 1 1 70 70 THR HA H 1 4.96 0.02 . 1 . . . . 166 THR HA . 11001 1 806 . 1 1 70 70 THR HB H 1 3.95 0.02 . 1 . . . . 166 THR HB . 11001 1 807 . 1 1 70 70 THR HG21 H 1 1.35 0.02 . 1 . . . . 166 THR HG2 . 11001 1 808 . 1 1 70 70 THR HG22 H 1 1.35 0.02 . 1 . . . . 166 THR HG2 . 11001 1 809 . 1 1 70 70 THR HG23 H 1 1.35 0.02 . 1 . . . . 166 THR HG2 . 11001 1 810 . 1 1 70 70 THR C C 13 169.8 0.2 . 1 . . . . 166 THR C . 11001 1 811 . 1 1 70 70 THR CA C 13 55.5 0.2 . 1 . . . . 166 THR CA . 11001 1 812 . 1 1 70 70 THR CB C 13 65.3 0.2 . 1 . . . . 166 THR CB . 11001 1 813 . 1 1 70 70 THR CG2 C 13 16.7 0.2 . 1 . . . . 166 THR CG2 . 11001 1 814 . 1 1 70 70 THR N N 15 118.8 0.2 . 1 . . . . 166 THR N . 11001 1 815 . 1 1 71 71 VAL H H 1 8.02 0.02 . 1 . . . . 167 VAL HN . 11001 1 816 . 1 1 71 71 VAL HA H 1 3.97 0.02 . 1 . . . . 167 VAL HA . 11001 1 817 . 1 1 71 71 VAL HB H 1 1.61 0.02 . 1 . . . . 167 VAL HB . 11001 1 818 . 1 1 71 71 VAL HG11 H 1 0.25 0.02 . 2 . . . . 167 VAL HG1 . 11001 1 819 . 1 1 71 71 VAL HG12 H 1 0.25 0.02 . 2 . . . . 167 VAL HG1 . 11001 1 820 . 1 1 71 71 VAL HG13 H 1 0.25 0.02 . 2 . . . . 167 VAL HG1 . 11001 1 821 . 1 1 71 71 VAL HG21 H 1 0.41 0.02 . 2 . . . . 167 VAL HG2 . 11001 1 822 . 1 1 71 71 VAL HG22 H 1 0.41 0.02 . 2 . . . . 167 VAL HG2 . 11001 1 823 . 1 1 71 71 VAL HG23 H 1 0.41 0.02 . 2 . . . . 167 VAL HG2 . 11001 1 824 . 1 1 71 71 VAL C C 13 171.4 0.2 . 1 . . . . 167 VAL C . 11001 1 825 . 1 1 71 71 VAL CA C 13 56.5 0.2 . 1 . . . . 167 VAL CA . 11001 1 826 . 1 1 71 71 VAL CB C 13 26.4 0.2 . 1 . . . . 167 VAL CB . 11001 1 827 . 1 1 71 71 VAL CG1 C 13 14.9 0.2 . 1 . . . . 167 VAL CG1 . 11001 1 828 . 1 1 71 71 VAL CG2 C 13 18.8 0.2 . 1 . . . . 167 VAL CG2 . 11001 1 829 . 1 1 71 71 VAL N N 15 112.6 0.2 . 1 . . . . 167 VAL N . 11001 1 830 . 1 1 72 72 ASP H H 1 9.77 0.02 . 1 . . . . 168 ASP HN . 11001 1 831 . 1 1 72 72 ASP HA H 1 5.15 0.02 . 1 . . . . 168 ASP HA . 11001 1 832 . 1 1 72 72 ASP HB2 H 1 3.01 0.02 . 2 . . . . 168 ASP HB2 . 11001 1 833 . 1 1 72 72 ASP HB3 H 1 3.09 0.02 . 2 . . . . 168 ASP HB3 . 11001 1 834 . 1 1 72 72 ASP CA C 13 48.2 0.2 . 1 . . . . 168 ASP CA . 11001 1 835 . 1 1 72 72 ASP CB C 13 40.5 0.2 . 1 . . . . 168 ASP CB . 11001 1 836 . 1 1 72 72 ASP N N 15 120.4 0.2 . 1 . . . . 168 ASP N . 11001 1 837 . 1 1 73 73 PRO HA H 1 4.21 0.02 . 1 . . . . 169 PRO HA . 11001 1 838 . 1 1 73 73 PRO HB2 H 1 2.25 0.02 . 1 . . . . 169 PRO HB2 . 11001 1 839 . 1 1 73 73 PRO HB3 H 1 2.25 0.02 . 1 . . . . 169 PRO HB3 . 11001 1 840 . 1 1 73 73 PRO HG2 H 1 1.92 0.02 . 1 . . . . 169 PRO HG2 . 11001 1 841 . 1 1 73 73 PRO HG3 H 1 1.92 0.02 . 1 . . . . 169 PRO HG3 . 11001 1 842 . 1 1 73 73 PRO HD2 H 1 3.76 0.02 . 2 . . . . 169 PRO HD2 . 11001 1 843 . 1 1 73 73 PRO HD3 H 1 3.13 0.02 . 2 . . . . 169 PRO HD3 . 11001 1 844 . 1 1 73 73 PRO C C 13 173.4 0.2 . 1 . . . . 169 PRO C . 11001 1 845 . 1 1 73 73 PRO CA C 13 61.8 0.2 . 1 . . . . 169 PRO CA . 11001 1 846 . 1 1 73 73 PRO CB C 13 29.0 0.2 . 1 . . . . 169 PRO CB . 11001 1 847 . 1 1 73 73 PRO CG C 13 23.9 0.2 . 1 . . . . 169 PRO CG . 11001 1 848 . 1 1 73 73 PRO CD C 13 47.8 0.2 . 1 . . . . 169 PRO CD . 11001 1 849 . 1 1 74 74 GLU H H 1 8.62 0.02 . 1 . . . . 170 GLU HN . 11001 1 850 . 1 1 74 74 GLU HA H 1 3.97 0.02 . 1 . . . . 170 GLU HA . 11001 1 851 . 1 1 74 74 GLU HB2 H 1 1.94 0.02 . 1 . . . . 170 GLU HB2 . 11001 1 852 . 1 1 74 74 GLU HB3 H 1 1.94 0.02 . 1 . . . . 170 GLU HB3 . 11001 1 853 . 1 1 74 74 GLU HG2 H 1 2.23 0.02 . 2 . . . . 170 GLU HG2 . 11001 1 854 . 1 1 74 74 GLU HG3 H 1 2.32 0.02 . 2 . . . . 170 GLU HG3 . 11001 1 855 . 1 1 74 74 GLU C C 13 175.3 0.2 . 1 . . . . 170 GLU C . 11001 1 856 . 1 1 74 74 GLU CA C 13 56.8 0.2 . 1 . . . . 170 GLU CA . 11001 1 857 . 1 1 74 74 GLU CB C 13 26.5 0.2 . 1 . . . . 170 GLU CB . 11001 1 858 . 1 1 74 74 GLU CG C 13 34.3 0.2 . 1 . . . . 170 GLU CG . 11001 1 859 . 1 1 74 74 GLU N N 15 118.4 0.2 . 1 . . . . 170 GLU N . 11001 1 860 . 1 1 75 75 ARG H H 1 6.70 0.02 . 1 . . . . 171 ARG HN . 11001 1 861 . 1 1 75 75 ARG HA H 1 4.19 0.02 . 1 . . . . 171 ARG HA . 11001 1 862 . 1 1 75 75 ARG HB2 H 1 1.75 0.02 . 1 . . . . 171 ARG HB2 . 11001 1 863 . 1 1 75 75 ARG HB3 H 1 1.75 0.02 . 1 . . . . 171 ARG HB3 . 11001 1 864 . 1 1 75 75 ARG HG2 H 1 1.95 0.02 . 1 . . . . 171 ARG HG2 . 11001 1 865 . 1 1 75 75 ARG HG3 H 1 1.95 0.02 . 1 . . . . 171 ARG HG3 . 11001 1 866 . 1 1 75 75 ARG HD2 H 1 3.02 0.02 . 1 . . . . 171 ARG HD2 . 11001 1 867 . 1 1 75 75 ARG HD3 H 1 3.02 0.02 . 1 . . . . 171 ARG HD3 . 11001 1 868 . 1 1 75 75 ARG C C 13 173.8 0.2 . 1 . . . . 171 ARG C . 11001 1 869 . 1 1 75 75 ARG CA C 13 54.4 0.2 . 1 . . . . 171 ARG CA . 11001 1 870 . 1 1 75 75 ARG CB C 13 30.4 0.2 . 1 . . . . 171 ARG CB . 11001 1 871 . 1 1 75 75 ARG CD C 13 40.5 0.2 . 1 . . . . 171 ARG CD . 11001 1 872 . 1 1 75 75 ARG N N 15 112.8 0.2 . 1 . . . . 171 ARG N . 11001 1 873 . 1 1 76 76 ASP H H 1 8.61 0.02 . 1 . . . . 172 ASP HN . 11001 1 874 . 1 1 76 76 ASP HA H 1 4.74 0.02 . 1 . . . . 172 ASP HA . 11001 1 875 . 1 1 76 76 ASP HB2 H 1 2.71 0.02 . 1 . . . . 172 ASP HB2 . 11001 1 876 . 1 1 76 76 ASP HB3 H 1 2.71 0.02 . 1 . . . . 172 ASP HB3 . 11001 1 877 . 1 1 76 76 ASP C C 13 171.1 0.2 . 1 . . . . 172 ASP C . 11001 1 878 . 1 1 76 76 ASP CA C 13 50.2 0.2 . 1 . . . . 172 ASP CA . 11001 1 879 . 1 1 76 76 ASP CB C 13 35.8 0.2 . 1 . . . . 172 ASP CB . 11001 1 880 . 1 1 76 76 ASP N N 15 125.5 0.2 . 1 . . . . 172 ASP N . 11001 1 881 . 1 1 77 77 ASP H H 1 7.41 0.02 . 1 . . . . 173 ASP HN . 11001 1 882 . 1 1 77 77 ASP HA H 1 4.59 0.02 . 1 . . . . 173 ASP HA . 11001 1 883 . 1 1 77 77 ASP HB2 H 1 2.76 0.02 . 2 . . . . 173 ASP HB2 . 11001 1 884 . 1 1 77 77 ASP HB3 H 1 3.25 0.02 . 2 . . . . 173 ASP HB3 . 11001 1 885 . 1 1 77 77 ASP C C 13 172.4 0.2 . 1 . . . . 173 ASP C . 11001 1 886 . 1 1 77 77 ASP CA C 13 49.4 0.2 . 1 . . . . 173 ASP CA . 11001 1 887 . 1 1 77 77 ASP CB C 13 38.0 0.2 . 1 . . . . 173 ASP CB . 11001 1 888 . 1 1 77 77 ASP N N 15 122.0 0.2 . 1 . . . . 173 ASP N . 11001 1 889 . 1 1 78 78 VAL H H 1 7.92 0.02 . 1 . . . . 174 VAL HN . 11001 1 890 . 1 1 78 78 VAL HA H 1 3.28 0.02 . 1 . . . . 174 VAL HA . 11001 1 891 . 1 1 78 78 VAL HB H 1 1.98 0.02 . 1 . . . . 174 VAL HB . 11001 1 892 . 1 1 78 78 VAL HG11 H 1 0.83 0.02 . 2 . . . . 174 VAL HG1 . 11001 1 893 . 1 1 78 78 VAL HG12 H 1 0.83 0.02 . 2 . . . . 174 VAL HG1 . 11001 1 894 . 1 1 78 78 VAL HG13 H 1 0.83 0.02 . 2 . . . . 174 VAL HG1 . 11001 1 895 . 1 1 78 78 VAL HG21 H 1 1.00 0.02 . 2 . . . . 174 VAL HG2 . 11001 1 896 . 1 1 78 78 VAL HG22 H 1 1.00 0.02 . 2 . . . . 174 VAL HG2 . 11001 1 897 . 1 1 78 78 VAL HG23 H 1 1.00 0.02 . 2 . . . . 174 VAL HG2 . 11001 1 898 . 1 1 78 78 VAL C C 13 174.4 0.2 . 1 . . . . 174 VAL C . 11001 1 899 . 1 1 78 78 VAL CA C 13 65.1 0.2 . 1 . . . . 174 VAL CA . 11001 1 900 . 1 1 78 78 VAL CB C 13 29.1 0.2 . 1 . . . . 174 VAL CB . 11001 1 901 . 1 1 78 78 VAL CG1 C 13 18.4 0.2 . 1 . . . . 174 VAL CG1 . 11001 1 902 . 1 1 78 78 VAL CG2 C 13 19.9 0.2 . 1 . . . . 174 VAL CG2 . 11001 1 903 . 1 1 78 78 VAL N N 15 118.1 0.2 . 1 . . . . 174 VAL N . 11001 1 904 . 1 1 79 79 GLU H H 1 7.75 0.02 . 1 . . . . 175 GLU HN . 11001 1 905 . 1 1 79 79 GLU HA H 1 4.07 0.02 . 1 . . . . 175 GLU HA . 11001 1 906 . 1 1 79 79 GLU HB2 H 1 2.05 0.02 . 2 . . . . 175 GLU HB2 . 11001 1 907 . 1 1 79 79 GLU HB3 H 1 2.01 0.02 . 2 . . . . 175 GLU HB3 . 11001 1 908 . 1 1 79 79 GLU HG2 H 1 2.28 0.02 . 2 . . . . 175 GLU HG2 . 11001 1 909 . 1 1 79 79 GLU HG3 H 1 2.34 0.02 . 2 . . . . 175 GLU HG3 . 11001 1 910 . 1 1 79 79 GLU C C 13 176.7 0.2 . 1 . . . . 175 GLU C . 11001 1 911 . 1 1 79 79 GLU CA C 13 56.7 0.2 . 1 . . . . 175 GLU CA . 11001 1 912 . 1 1 79 79 GLU CB C 13 26.4 0.2 . 1 . . . . 175 GLU CB . 11001 1 913 . 1 1 79 79 GLU CG C 13 33.7 0.2 . 1 . . . . 175 GLU CG . 11001 1 914 . 1 1 79 79 GLU N N 15 116.6 0.2 . 1 . . . . 175 GLU N . 11001 1 915 . 1 1 80 80 ALA H H 1 8.34 0.02 . 1 . . . . 176 ALA HN . 11001 1 916 . 1 1 80 80 ALA HA H 1 4.11 0.02 . 1 . . . . 176 ALA HA . 11001 1 917 . 1 1 80 80 ALA HB1 H 1 1.65 0.02 . 1 . . . . 176 ALA HB . 11001 1 918 . 1 1 80 80 ALA HB2 H 1 1.65 0.02 . 1 . . . . 176 ALA HB . 11001 1 919 . 1 1 80 80 ALA HB3 H 1 1.65 0.02 . 1 . . . . 176 ALA HB . 11001 1 920 . 1 1 80 80 ALA C C 13 179.5 0.2 . 1 . . . . 176 ALA C . 11001 1 921 . 1 1 80 80 ALA CA C 13 52.0 0.2 . 1 . . . . 176 ALA CA . 11001 1 922 . 1 1 80 80 ALA CB C 13 15.8 0.2 . 1 . . . . 176 ALA CB . 11001 1 923 . 1 1 80 80 ALA N N 15 122.8 0.2 . 1 . . . . 176 ALA N . 11001 1 924 . 1 1 81 81 MET H H 1 8.61 0.02 . 1 . . . . 177 MET HN . 11001 1 925 . 1 1 81 81 MET HA H 1 4.37 0.02 . 1 . . . . 177 MET HA . 11001 1 926 . 1 1 81 81 MET HB2 H 1 2.55 0.02 . 2 . . . . 177 MET HB2 . 11001 1 927 . 1 1 81 81 MET HB3 H 1 2.36 0.02 . 2 . . . . 177 MET HB3 . 11001 1 928 . 1 1 81 81 MET HG2 H 1 2.00 0.02 . 1 . . . . 177 MET HG2 . 11001 1 929 . 1 1 81 81 MET HG3 H 1 2.00 0.02 . 1 . . . . 177 MET HG3 . 11001 1 930 . 1 1 81 81 MET HE1 H 1 1.49 0.02 . 1 . . . . 177 MET HE . 11001 1 931 . 1 1 81 81 MET HE2 H 1 1.49 0.02 . 1 . . . . 177 MET HE . 11001 1 932 . 1 1 81 81 MET HE3 H 1 1.49 0.02 . 1 . . . . 177 MET HE . 11001 1 933 . 1 1 81 81 MET C C 13 175.4 0.2 . 1 . . . . 177 MET C . 11001 1 934 . 1 1 81 81 MET CA C 13 54.1 0.2 . 1 . . . . 177 MET CA . 11001 1 935 . 1 1 81 81 MET CB C 13 28.5 0.2 . 1 . . . . 177 MET CB . 11001 1 936 . 1 1 81 81 MET CG C 13 30.2 0.2 . 1 . . . . 177 MET CG . 11001 1 937 . 1 1 81 81 MET N N 15 116.3 0.2 . 1 . . . . 177 MET N . 11001 1 938 . 1 1 82 82 ALA H H 1 8.69 0.02 . 1 . . . . 178 ALA HN . 11001 1 939 . 1 1 82 82 ALA HA H 1 3.91 0.02 . 1 . . . . 178 ALA HA . 11001 1 940 . 1 1 82 82 ALA HB1 H 1 1.82 0.02 . 1 . . . . 178 ALA HB . 11001 1 941 . 1 1 82 82 ALA HB2 H 1 1.82 0.02 . 1 . . . . 178 ALA HB . 11001 1 942 . 1 1 82 82 ALA HB3 H 1 1.82 0.02 . 1 . . . . 178 ALA HB . 11001 1 943 . 1 1 82 82 ALA C C 13 177.4 0.2 . 1 . . . . 178 ALA C . 11001 1 944 . 1 1 82 82 ALA CA C 13 52.4 0.2 . 1 . . . . 178 ALA CA . 11001 1 945 . 1 1 82 82 ALA CB C 13 14.8 0.2 . 1 . . . . 178 ALA CB . 11001 1 946 . 1 1 82 82 ALA N N 15 122.8 0.2 . 1 . . . . 178 ALA N . 11001 1 947 . 1 1 83 83 ARG H H 1 7.67 0.02 . 1 . . . . 179 ARG HN . 11001 1 948 . 1 1 83 83 ARG HA H 1 4.00 0.02 . 1 . . . . 179 ARG HA . 11001 1 949 . 1 1 83 83 ARG HB2 H 1 1.84 0.02 . 2 . . . . 179 ARG HB2 . 11001 1 950 . 1 1 83 83 ARG HB3 H 1 1.89 0.02 . 2 . . . . 179 ARG HB3 . 11001 1 951 . 1 1 83 83 ARG HG2 H 1 1.79 0.02 . 1 . . . . 179 ARG HG2 . 11001 1 952 . 1 1 83 83 ARG HG3 H 1 1.79 0.02 . 1 . . . . 179 ARG HG3 . 11001 1 953 . 1 1 83 83 ARG HD2 H 1 3.21 0.02 . 1 . . . . 179 ARG HD2 . 11001 1 954 . 1 1 83 83 ARG HD3 H 1 3.21 0.02 . 1 . . . . 179 ARG HD3 . 11001 1 955 . 1 1 83 83 ARG C C 13 174.8 0.2 . 1 . . . . 179 ARG C . 11001 1 956 . 1 1 83 83 ARG CA C 13 55.6 0.2 . 1 . . . . 179 ARG CA . 11001 1 957 . 1 1 83 83 ARG CB C 13 27.5 0.2 . 1 . . . . 179 ARG CB . 11001 1 958 . 1 1 83 83 ARG CG C 13 24.5 0.2 . 1 . . . . 179 ARG CG . 11001 1 959 . 1 1 83 83 ARG CD C 13 40.5 0.2 . 1 . . . . 179 ARG CD . 11001 1 960 . 1 1 83 83 ARG N N 15 115.1 0.2 . 1 . . . . 179 ARG N . 11001 1 961 . 1 1 84 84 TYR H H 1 7.70 0.02 . 1 . . . . 180 TYR HN . 11001 1 962 . 1 1 84 84 TYR HA H 1 4.33 0.02 . 1 . . . . 180 TYR HA . 11001 1 963 . 1 1 84 84 TYR HB2 H 1 2.97 0.02 . 2 . . . . 180 TYR HB2 . 11001 1 964 . 1 1 84 84 TYR HB3 H 1 3.25 0.02 . 2 . . . . 180 TYR HB3 . 11001 1 965 . 1 1 84 84 TYR HD1 H 1 6.84 0.02 . 1 . . . . 180 TYR HD1 . 11001 1 966 . 1 1 84 84 TYR HD2 H 1 6.84 0.02 . 1 . . . . 180 TYR HD2 . 11001 1 967 . 1 1 84 84 TYR HE1 H 1 6.37 0.02 . 1 . . . . 180 TYR HE1 . 11001 1 968 . 1 1 84 84 TYR HE2 H 1 6.37 0.02 . 1 . . . . 180 TYR HE2 . 11001 1 969 . 1 1 84 84 TYR C C 13 176.1 0.2 . 1 . . . . 180 TYR C . 11001 1 970 . 1 1 84 84 TYR CA C 13 58.7 0.2 . 1 . . . . 180 TYR CA . 11001 1 971 . 1 1 84 84 TYR CB C 13 37.9 0.2 . 1 . . . . 180 TYR CB . 11001 1 972 . 1 1 84 84 TYR N N 15 119.2 0.2 . 1 . . . . 180 TYR N . 11001 1 973 . 1 1 85 85 VAL H H 1 8.44 0.02 . 1 . . . . 181 VAL HN . 11001 1 974 . 1 1 85 85 VAL HA H 1 3.97 0.02 . 1 . . . . 181 VAL HA . 11001 1 975 . 1 1 85 85 VAL HB H 1 2.07 0.02 . 1 . . . . 181 VAL HB . 11001 1 976 . 1 1 85 85 VAL HG11 H 1 0.52 0.02 . 2 . . . . 181 VAL HG1 . 11001 1 977 . 1 1 85 85 VAL HG12 H 1 0.52 0.02 . 2 . . . . 181 VAL HG1 . 11001 1 978 . 1 1 85 85 VAL HG13 H 1 0.52 0.02 . 2 . . . . 181 VAL HG1 . 11001 1 979 . 1 1 85 85 VAL HG21 H 1 1.06 0.02 . 2 . . . . 181 VAL HG2 . 11001 1 980 . 1 1 85 85 VAL HG22 H 1 1.06 0.02 . 2 . . . . 181 VAL HG2 . 11001 1 981 . 1 1 85 85 VAL HG23 H 1 1.06 0.02 . 2 . . . . 181 VAL HG2 . 11001 1 982 . 1 1 85 85 VAL C C 13 175.6 0.2 . 1 . . . . 181 VAL C . 11001 1 983 . 1 1 85 85 VAL CA C 13 62.2 0.2 . 1 . . . . 181 VAL CA . 11001 1 984 . 1 1 85 85 VAL CB C 13 28.9 0.2 . 1 . . . . 181 VAL CB . 11001 1 985 . 1 1 85 85 VAL CG1 C 13 12.8 0.2 . 1 . . . . 181 VAL CG1 . 11001 1 986 . 1 1 85 85 VAL CG2 C 13 18.9 0.2 . 1 . . . . 181 VAL CG2 . 11001 1 987 . 1 1 85 85 VAL N N 15 107.7 0.2 . 1 . . . . 181 VAL N . 11001 1 988 . 1 1 86 86 GLN H H 1 6.79 0.02 . 1 . . . . 182 GLN HN . 11001 1 989 . 1 1 86 86 GLN HA H 1 4.01 0.02 . 1 . . . . 182 GLN HA . 11001 1 990 . 1 1 86 86 GLN HB2 H 1 2.05 0.02 . 2 . . . . 182 GLN HB2 . 11001 1 991 . 1 1 86 86 GLN HB3 H 1 2.16 0.02 . 2 . . . . 182 GLN HB3 . 11001 1 992 . 1 1 86 86 GLN HG2 H 1 2.36 0.02 . 2 . . . . 182 GLN HG2 . 11001 1 993 . 1 1 86 86 GLN HG3 H 1 2.41 0.02 . 2 . . . . 182 GLN HG3 . 11001 1 994 . 1 1 86 86 GLN HE21 H 1 6.76 0.02 . 2 . . . . 182 GLN HE21 . 11001 1 995 . 1 1 86 86 GLN HE22 H 1 7.48 0.02 . 2 . . . . 182 GLN HE22 . 11001 1 996 . 1 1 86 86 GLN C C 13 173.9 0.2 . 1 . . . . 182 GLN C . 11001 1 997 . 1 1 86 86 GLN CA C 13 55.3 0.2 . 1 . . . . 182 GLN CA . 11001 1 998 . 1 1 86 86 GLN CB C 13 25.7 0.2 . 1 . . . . 182 GLN CB . 11001 1 999 . 1 1 86 86 GLN CG C 13 30.7 0.2 . 1 . . . . 182 GLN CG . 11001 1 1000 . 1 1 86 86 GLN N N 15 115.8 0.2 . 1 . . . . 182 GLN N . 11001 1 1001 . 1 1 86 86 GLN NE2 N 15 111.4 0.2 . 1 . . . . 182 GLN NE2 . 11001 1 1002 . 1 1 87 87 ASP H H 1 7.09 0.02 . 1 . . . . 183 ASP HN . 11001 1 1003 . 1 1 87 87 ASP HA H 1 4.39 0.02 . 1 . . . . 183 ASP HA . 11001 1 1004 . 1 1 87 87 ASP HB2 H 1 2.27 0.02 . 2 . . . . 183 ASP HB2 . 11001 1 1005 . 1 1 87 87 ASP HB3 H 1 2.10 0.02 . 2 . . . . 183 ASP HB3 . 11001 1 1006 . 1 1 87 87 ASP C C 13 173.7 0.2 . 1 . . . . 183 ASP C . 11001 1 1007 . 1 1 87 87 ASP CA C 13 52.2 0.2 . 1 . . . . 183 ASP CA . 11001 1 1008 . 1 1 87 87 ASP CB C 13 37.5 0.2 . 1 . . . . 183 ASP CB . 11001 1 1009 . 1 1 87 87 ASP N N 15 116.1 0.2 . 1 . . . . 183 ASP N . 11001 1 1010 . 1 1 88 88 PHE H H 1 7.56 0.02 . 1 . . . . 184 PHE HN . 11001 1 1011 . 1 1 88 88 PHE HA H 1 4.26 0.02 . 1 . . . . 184 PHE HA . 11001 1 1012 . 1 1 88 88 PHE HB2 H 1 2.83 0.02 . 2 . . . . 184 PHE HB2 . 11001 1 1013 . 1 1 88 88 PHE HB3 H 1 2.78 0.02 . 2 . . . . 184 PHE HB3 . 11001 1 1014 . 1 1 88 88 PHE HD1 H 1 6.90 0.02 . 1 . . . . 184 PHE HD1 . 11001 1 1015 . 1 1 88 88 PHE HD2 H 1 6.90 0.02 . 1 . . . . 184 PHE HD2 . 11001 1 1016 . 1 1 88 88 PHE HE1 H 1 6.62 0.02 . 1 . . . . 184 PHE HE1 . 11001 1 1017 . 1 1 88 88 PHE HE2 H 1 6.62 0.02 . 1 . . . . 184 PHE HE2 . 11001 1 1018 . 1 1 88 88 PHE HZ H 1 6.88 0.02 . 1 . . . . 184 PHE HZ . 11001 1 1019 . 1 1 88 88 PHE C C 13 172.9 0.2 . 1 . . . . 184 PHE C . 11001 1 1020 . 1 1 88 88 PHE CA C 13 57.9 0.2 . 1 . . . . 184 PHE CA . 11001 1 1021 . 1 1 88 88 PHE CB C 13 37.9 0.2 . 1 . . . . 184 PHE CB . 11001 1 1022 . 1 1 88 88 PHE N N 15 116.9 0.2 . 1 . . . . 184 PHE N . 11001 1 1023 . 1 1 89 89 HIS H H 1 7.07 0.02 . 1 . . . . 185 HIS HN . 11001 1 1024 . 1 1 89 89 HIS HA H 1 4.64 0.02 . 1 . . . . 185 HIS HA . 11001 1 1025 . 1 1 89 89 HIS HB2 H 1 3.39 0.02 . 2 . . . . 185 HIS HB2 . 11001 1 1026 . 1 1 89 89 HIS HB3 H 1 2.51 0.02 . 2 . . . . 185 HIS HB3 . 11001 1 1027 . 1 1 89 89 HIS HD2 H 1 6.90 0.02 . 1 . . . . 185 HIS HD2 . 11001 1 1028 . 1 1 89 89 HIS HE1 H 1 7.67 0.02 . 1 . . . . 185 HIS HE1 . 11001 1 1029 . 1 1 89 89 HIS CA C 13 53.7 0.2 . 1 . . . . 185 HIS CA . 11001 1 1030 . 1 1 89 89 HIS CB C 13 31.3 0.2 . 1 . . . . 185 HIS CB . 11001 1 1031 . 1 1 89 89 HIS N N 15 115.9 0.2 . 1 . . . . 185 HIS N . 11001 1 1032 . 1 1 89 89 HIS ND1 N 15 251.5 0.2 . 1 . . . . 185 HIS ND1 . 11001 1 1033 . 1 1 89 89 HIS NE2 N 15 168.3 0.2 . 1 . . . . 185 HIS NE2 . 11001 1 1034 . 1 1 90 90 PRO HA H 1 4.49 0.02 . 1 . . . . 186 PRO HA . 11001 1 1035 . 1 1 90 90 PRO HB2 H 1 2.29 0.02 . 2 . . . . 186 PRO HB2 . 11001 1 1036 . 1 1 90 90 PRO HB3 H 1 1.86 0.02 . 2 . . . . 186 PRO HB3 . 11001 1 1037 . 1 1 90 90 PRO HG2 H 1 1.80 0.02 . 2 . . . . 186 PRO HG2 . 11001 1 1038 . 1 1 90 90 PRO HG3 H 1 1.60 0.02 . 2 . . . . 186 PRO HG3 . 11001 1 1039 . 1 1 90 90 PRO HD2 H 1 3.34 0.02 . 2 . . . . 186 PRO HD2 . 11001 1 1040 . 1 1 90 90 PRO HD3 H 1 2.21 0.02 . 2 . . . . 186 PRO HD3 . 11001 1 1041 . 1 1 90 90 PRO C C 13 175.0 0.2 . 1 . . . . 186 PRO C . 11001 1 1042 . 1 1 90 90 PRO CA C 13 61.5 0.2 . 1 . . . . 186 PRO CA . 11001 1 1043 . 1 1 90 90 PRO CB C 13 29.5 0.2 . 1 . . . . 186 PRO CB . 11001 1 1044 . 1 1 90 90 PRO CG C 13 24.1 0.2 . 1 . . . . 186 PRO CG . 11001 1 1045 . 1 1 90 90 PRO CD C 13 48.0 0.2 . 1 . . . . 186 PRO CD . 11001 1 1046 . 1 1 91 91 ARG H H 1 11.15 0.02 . 1 . . . . 187 ARG HN . 11001 1 1047 . 1 1 91 91 ARG HA H 1 4.70 0.02 . 1 . . . . 187 ARG HA . 11001 1 1048 . 1 1 91 91 ARG HB2 H 1 1.74 0.02 . 2 . . . . 187 ARG HB2 . 11001 1 1049 . 1 1 91 91 ARG HB3 H 1 2.31 0.02 . 2 . . . . 187 ARG HB3 . 11001 1 1050 . 1 1 91 91 ARG HG2 H 1 1.81 0.02 . 2 . . . . 187 ARG HG2 . 11001 1 1051 . 1 1 91 91 ARG HG3 H 1 2.24 0.02 . 2 . . . . 187 ARG HG3 . 11001 1 1052 . 1 1 91 91 ARG HD2 H 1 3.42 0.02 . 1 . . . . 187 ARG HD2 . 11001 1 1053 . 1 1 91 91 ARG HD3 H 1 3.42 0.02 . 1 . . . . 187 ARG HD3 . 11001 1 1054 . 1 1 91 91 ARG C C 13 173.7 0.2 . 1 . . . . 187 ARG C . 11001 1 1055 . 1 1 91 91 ARG CA C 13 52.4 0.2 . 1 . . . . 187 ARG CA . 11001 1 1056 . 1 1 91 91 ARG CB C 13 27.9 0.2 . 1 . . . . 187 ARG CB . 11001 1 1057 . 1 1 91 91 ARG CG C 13 26.6 0.2 . 1 . . . . 187 ARG CG . 11001 1 1058 . 1 1 91 91 ARG CD C 13 40.1 0.2 . 1 . . . . 187 ARG CD . 11001 1 1059 . 1 1 91 91 ARG N N 15 119.4 0.2 . 1 . . . . 187 ARG N . 11001 1 1060 . 1 1 92 92 LEU H H 1 7.38 0.02 . 1 . . . . 188 LEU HN . 11001 1 1061 . 1 1 92 92 LEU HA H 1 4.04 0.02 . 1 . . . . 188 LEU HA . 11001 1 1062 . 1 1 92 92 LEU HB2 H 1 2.10 0.02 . 2 . . . . 188 LEU HB2 . 11001 1 1063 . 1 1 92 92 LEU HB3 H 1 1.04 0.02 . 2 . . . . 188 LEU HB3 . 11001 1 1064 . 1 1 92 92 LEU HG H 1 0.74 0.02 . 1 . . . . 188 LEU HG . 11001 1 1065 . 1 1 92 92 LEU HD11 H 1 1.33 0.02 . 2 . . . . 188 LEU HD1 . 11001 1 1066 . 1 1 92 92 LEU HD12 H 1 1.33 0.02 . 2 . . . . 188 LEU HD1 . 11001 1 1067 . 1 1 92 92 LEU HD13 H 1 1.33 0.02 . 2 . . . . 188 LEU HD1 . 11001 1 1068 . 1 1 92 92 LEU HD21 H 1 0.64 0.02 . 2 . . . . 188 LEU HD2 . 11001 1 1069 . 1 1 92 92 LEU HD22 H 1 0.64 0.02 . 2 . . . . 188 LEU HD2 . 11001 1 1070 . 1 1 92 92 LEU HD23 H 1 0.64 0.02 . 2 . . . . 188 LEU HD2 . 11001 1 1071 . 1 1 92 92 LEU C C 13 171.8 0.2 . 1 . . . . 188 LEU C . 11001 1 1072 . 1 1 92 92 LEU CA C 13 53.3 0.2 . 1 . . . . 188 LEU CA . 11001 1 1073 . 1 1 92 92 LEU CB C 13 39.4 0.2 . 1 . . . . 188 LEU CB . 11001 1 1074 . 1 1 92 92 LEU CG C 13 23.3 0.2 . 1 . . . . 188 LEU CG . 11001 1 1075 . 1 1 92 92 LEU CD1 C 13 24.0 0.2 . 1 . . . . 188 LEU CD1 . 11001 1 1076 . 1 1 92 92 LEU CD2 C 13 20.8 0.2 . 1 . . . . 188 LEU CD2 . 11001 1 1077 . 1 1 92 92 LEU N N 15 120.0 0.2 . 1 . . . . 188 LEU N . 11001 1 1078 . 1 1 93 93 LEU H H 1 7.60 0.02 . 1 . . . . 189 LEU HN . 11001 1 1079 . 1 1 93 93 LEU HA H 1 4.91 0.02 . 1 . . . . 189 LEU HA . 11001 1 1080 . 1 1 93 93 LEU HB2 H 1 1.67 0.02 . 2 . . . . 189 LEU HB2 . 11001 1 1081 . 1 1 93 93 LEU HB3 H 1 1.78 0.02 . 2 . . . . 189 LEU HB3 . 11001 1 1082 . 1 1 93 93 LEU HG H 1 1.76 0.02 . 1 . . . . 189 LEU HG . 11001 1 1083 . 1 1 93 93 LEU HD11 H 1 0.99 0.02 . 2 . . . . 189 LEU HD1 . 11001 1 1084 . 1 1 93 93 LEU HD12 H 1 0.99 0.02 . 2 . . . . 189 LEU HD1 . 11001 1 1085 . 1 1 93 93 LEU HD13 H 1 0.99 0.02 . 2 . . . . 189 LEU HD1 . 11001 1 1086 . 1 1 93 93 LEU HD21 H 1 1.06 0.02 . 2 . . . . 189 LEU HD2 . 11001 1 1087 . 1 1 93 93 LEU HD22 H 1 1.06 0.02 . 2 . . . . 189 LEU HD2 . 11001 1 1088 . 1 1 93 93 LEU HD23 H 1 1.06 0.02 . 2 . . . . 189 LEU HD2 . 11001 1 1089 . 1 1 93 93 LEU C C 13 172.6 0.2 . 1 . . . . 189 LEU C . 11001 1 1090 . 1 1 93 93 LEU CA C 13 50.8 0.2 . 1 . . . . 189 LEU CA . 11001 1 1091 . 1 1 93 93 LEU CB C 13 42.7 0.2 . 1 . . . . 189 LEU CB . 11001 1 1092 . 1 1 93 93 LEU CG C 13 23.8 0.2 . 1 . . . . 189 LEU CG . 11001 1 1093 . 1 1 93 93 LEU CD1 C 13 22.3 0.2 . 1 . . . . 189 LEU CD1 . 11001 1 1094 . 1 1 93 93 LEU CD2 C 13 22.3 0.2 . 1 . . . . 189 LEU CD2 . 11001 1 1095 . 1 1 93 93 LEU N N 15 130.3 0.2 . 1 . . . . 189 LEU N . 11001 1 1096 . 1 1 94 94 GLY H H 1 10.48 0.02 . 1 . . . . 190 GLY HN . 11001 1 1097 . 1 1 94 94 GLY HA2 H 1 5.34 0.02 . 2 . . . . 190 GLY HA1 . 11001 1 1098 . 1 1 94 94 GLY HA3 H 1 3.13 0.02 . 2 . . . . 190 GLY HA2 . 11001 1 1099 . 1 1 94 94 GLY C C 13 169.1 0.2 . 1 . . . . 190 GLY C . 11001 1 1100 . 1 1 94 94 GLY CA C 13 41.8 0.2 . 1 . . . . 190 GLY CA . 11001 1 1101 . 1 1 94 94 GLY N N 15 116.9 0.2 . 1 . . . . 190 GLY N . 11001 1 1102 . 1 1 95 95 LEU H H 1 9.15 0.02 . 1 . . . . 191 LEU HN . 11001 1 1103 . 1 1 95 95 LEU HA H 1 5.45 0.02 . 1 . . . . 191 LEU HA . 11001 1 1104 . 1 1 95 95 LEU HB2 H 1 1.08 0.02 . 2 . . . . 191 LEU HB2 . 11001 1 1105 . 1 1 95 95 LEU HB3 H 1 1.48 0.02 . 2 . . . . 191 LEU HB3 . 11001 1 1106 . 1 1 95 95 LEU HG H 1 1.29 0.02 . 1 . . . . 191 LEU HG . 11001 1 1107 . 1 1 95 95 LEU HD11 H 1 0.71 0.02 . 2 . . . . 191 LEU HD1 . 11001 1 1108 . 1 1 95 95 LEU HD12 H 1 0.71 0.02 . 2 . . . . 191 LEU HD1 . 11001 1 1109 . 1 1 95 95 LEU HD13 H 1 0.71 0.02 . 2 . . . . 191 LEU HD1 . 11001 1 1110 . 1 1 95 95 LEU HD21 H 1 0.36 0.02 . 2 . . . . 191 LEU HD2 . 11001 1 1111 . 1 1 95 95 LEU HD22 H 1 0.36 0.02 . 2 . . . . 191 LEU HD2 . 11001 1 1112 . 1 1 95 95 LEU HD23 H 1 0.36 0.02 . 2 . . . . 191 LEU HD2 . 11001 1 1113 . 1 1 95 95 LEU C C 13 171.6 0.2 . 1 . . . . 191 LEU C . 11001 1 1114 . 1 1 95 95 LEU CA C 13 50.0 0.2 . 1 . . . . 191 LEU CA . 11001 1 1115 . 1 1 95 95 LEU CB C 13 41.5 0.2 . 1 . . . . 191 LEU CB . 11001 1 1116 . 1 1 95 95 LEU CG C 13 23.4 0.2 . 1 . . . . 191 LEU CG . 11001 1 1117 . 1 1 95 95 LEU CD1 C 13 21.7 0.2 . 1 . . . . 191 LEU CD1 . 11001 1 1118 . 1 1 95 95 LEU CD2 C 13 23.8 0.2 . 1 . . . . 191 LEU CD2 . 11001 1 1119 . 1 1 95 95 LEU N N 15 123.3 0.2 . 1 . . . . 191 LEU N . 11001 1 1120 . 1 1 96 96 THR H H 1 9.29 0.02 . 1 . . . . 192 THR HN . 11001 1 1121 . 1 1 96 96 THR HA H 1 4.47 0.02 . 1 . . . . 192 THR HA . 11001 1 1122 . 1 1 96 96 THR HB H 1 3.84 0.02 . 1 . . . . 192 THR HB . 11001 1 1123 . 1 1 96 96 THR HG1 H 1 5.67 0.02 . 1 . . . . 192 THR HG1 . 11001 1 1124 . 1 1 96 96 THR HG21 H 1 0.90 0.02 . 1 . . . . 192 THR HG2 . 11001 1 1125 . 1 1 96 96 THR HG22 H 1 0.90 0.02 . 1 . . . . 192 THR HG2 . 11001 1 1126 . 1 1 96 96 THR HG23 H 1 0.90 0.02 . 1 . . . . 192 THR HG2 . 11001 1 1127 . 1 1 96 96 THR C C 13 168.3 0.2 . 1 . . . . 192 THR C . 11001 1 1128 . 1 1 96 96 THR CA C 13 54.5 0.2 . 1 . . . . 192 THR CA . 11001 1 1129 . 1 1 96 96 THR CB C 13 66.7 0.2 . 1 . . . . 192 THR CB . 11001 1 1130 . 1 1 96 96 THR CG2 C 13 15.8 0.2 . 1 . . . . 192 THR CG2 . 11001 1 1131 . 1 1 96 96 THR N N 15 116.6 0.2 . 1 . . . . 192 THR N . 11001 1 1132 . 1 1 97 97 GLY H H 1 8.17 0.02 . 1 . . . . 193 GLY HN . 11001 1 1133 . 1 1 97 97 GLY HA2 H 1 4.01 0.02 . 2 . . . . 193 GLY HA1 . 11001 1 1134 . 1 1 97 97 GLY HA3 H 1 4.24 0.02 . 2 . . . . 193 GLY HA2 . 11001 1 1135 . 1 1 97 97 GLY C C 13 169.4 0.2 . 1 . . . . 193 GLY C . 11001 1 1136 . 1 1 97 97 GLY CA C 13 42.1 0.2 . 1 . . . . 193 GLY CA . 11001 1 1137 . 1 1 97 97 GLY N N 15 107.5 0.2 . 1 . . . . 193 GLY N . 11001 1 1138 . 1 1 98 98 SER H H 1 8.85 0.02 . 1 . . . . 194 SER HN . 11001 1 1139 . 1 1 98 98 SER HA H 1 4.65 0.02 . 1 . . . . 194 SER HA . 11001 1 1140 . 1 1 98 98 SER HB2 H 1 4.47 0.02 . 1 . . . . 194 SER HB2 . 11001 1 1141 . 1 1 98 98 SER HB3 H 1 4.47 0.02 . 1 . . . . 194 SER HB3 . 11001 1 1142 . 1 1 98 98 SER C C 13 172.5 0.2 . 1 . . . . 194 SER C . 11001 1 1143 . 1 1 98 98 SER CA C 13 53.8 0.2 . 1 . . . . 194 SER CA . 11001 1 1144 . 1 1 98 98 SER CB C 13 62.5 0.2 . 1 . . . . 194 SER CB . 11001 1 1145 . 1 1 98 98 SER N N 15 115.5 0.2 . 1 . . . . 194 SER N . 11001 1 1146 . 1 1 99 99 THR H H 1 8.87 0.02 . 1 . . . . 195 THR HN . 11001 1 1147 . 1 1 99 99 THR HA H 1 3.74 0.02 . 1 . . . . 195 THR HA . 11001 1 1148 . 1 1 99 99 THR HB H 1 4.13 0.02 . 1 . . . . 195 THR HB . 11001 1 1149 . 1 1 99 99 THR HG21 H 1 1.31 0.02 . 1 . . . . 195 THR HG2 . 11001 1 1150 . 1 1 99 99 THR HG22 H 1 1.31 0.02 . 1 . . . . 195 THR HG2 . 11001 1 1151 . 1 1 99 99 THR HG23 H 1 1.31 0.02 . 1 . . . . 195 THR HG2 . 11001 1 1152 . 1 1 99 99 THR CA C 13 63.7 0.2 . 1 . . . . 195 THR CA . 11001 1 1153 . 1 1 99 99 THR CB C 13 65.4 0.2 . 1 . . . . 195 THR CB . 11001 1 1154 . 1 1 99 99 THR CG2 C 13 19.0 0.2 . 1 . . . . 195 THR CG2 . 11001 1 1155 . 1 1 99 99 THR N N 15 114.7 0.2 . 1 . . . . 195 THR N . 11001 1 1156 . 1 1 100 100 LYS HA H 1 4.22 0.02 . 1 . . . . 196 LYS HA . 11001 1 1157 . 1 1 100 100 LYS HB2 H 1 1.78 0.02 . 1 . . . . 196 LYS HB2 . 11001 1 1158 . 1 1 100 100 LYS HB3 H 1 1.78 0.02 . 1 . . . . 196 LYS HB3 . 11001 1 1159 . 1 1 100 100 LYS HG2 H 1 1.36 0.02 . 2 . . . . 196 LYS HG2 . 11001 1 1160 . 1 1 100 100 LYS HG3 H 1 1.46 0.02 . 2 . . . . 196 LYS HG3 . 11001 1 1161 . 1 1 100 100 LYS HD2 H 1 1.63 0.02 . 1 . . . . 196 LYS HD2 . 11001 1 1162 . 1 1 100 100 LYS HD3 H 1 1.63 0.02 . 1 . . . . 196 LYS HD3 . 11001 1 1163 . 1 1 100 100 LYS HE2 H 1 2.91 0.02 . 1 . . . . 196 LYS HE2 . 11001 1 1164 . 1 1 100 100 LYS HE3 H 1 2.91 0.02 . 1 . . . . 196 LYS HE3 . 11001 1 1165 . 1 1 100 100 LYS C C 13 176.2 0.2 . 1 . . . . 196 LYS C . 11001 1 1166 . 1 1 100 100 LYS CA C 13 56.2 0.2 . 1 . . . . 196 LYS CA . 11001 1 1167 . 1 1 100 100 LYS CB C 13 29.7 0.2 . 1 . . . . 196 LYS CB . 11001 1 1168 . 1 1 100 100 LYS CG C 13 22.0 0.2 . 1 . . . . 196 LYS CG . 11001 1 1169 . 1 1 100 100 LYS CD C 13 26.0 0.2 . 1 . . . . 196 LYS CD . 11001 1 1170 . 1 1 100 100 LYS CE C 13 38.9 0.2 . 1 . . . . 196 LYS CE . 11001 1 1171 . 1 1 101 101 GLN H H 1 7.92 0.02 . 1 . . . . 197 GLN HN . 11001 1 1172 . 1 1 101 101 GLN HA H 1 4.18 0.02 . 1 . . . . 197 GLN HA . 11001 1 1173 . 1 1 101 101 GLN HB2 H 1 2.30 0.02 . 2 . . . . 197 GLN HB2 . 11001 1 1174 . 1 1 101 101 GLN HB3 H 1 2.50 0.02 . 2 . . . . 197 GLN HB3 . 11001 1 1175 . 1 1 101 101 GLN HG2 H 1 2.46 0.02 . 2 . . . . 197 GLN HG2 . 11001 1 1176 . 1 1 101 101 GLN HG3 H 1 2.62 0.02 . 2 . . . . 197 GLN HG3 . 11001 1 1177 . 1 1 101 101 GLN HE21 H 1 7.42 0.02 . 2 . . . . 197 GLN HE21 . 11001 1 1178 . 1 1 101 101 GLN HE22 H 1 6.69 0.02 . 2 . . . . 197 GLN HE22 . 11001 1 1179 . 1 1 101 101 GLN C C 13 177.9 0.2 . 1 . . . . 197 GLN C . 11001 1 1180 . 1 1 101 101 GLN CA C 13 56.2 0.2 . 1 . . . . 197 GLN CA . 11001 1 1181 . 1 1 101 101 GLN CB C 13 25.5 0.2 . 1 . . . . 197 GLN CB . 11001 1 1182 . 1 1 101 101 GLN CG C 13 33.7 0.2 . 1 . . . . 197 GLN CG . 11001 1 1183 . 1 1 101 101 GLN N N 15 120.6 0.2 . 1 . . . . 197 GLN N . 11001 1 1184 . 1 1 101 101 GLN NE2 N 15 112.9 0.2 . 1 . . . . 197 GLN NE2 . 11001 1 1185 . 1 1 102 102 VAL H H 1 8.43 0.02 . 1 . . . . 198 VAL HN . 11001 1 1186 . 1 1 102 102 VAL HA H 1 3.51 0.02 . 1 . . . . 198 VAL HA . 11001 1 1187 . 1 1 102 102 VAL HB H 1 1.94 0.02 . 1 . . . . 198 VAL HB . 11001 1 1188 . 1 1 102 102 VAL HG11 H 1 0.76 0.02 . 2 . . . . 198 VAL HG1 . 11001 1 1189 . 1 1 102 102 VAL HG12 H 1 0.76 0.02 . 2 . . . . 198 VAL HG1 . 11001 1 1190 . 1 1 102 102 VAL HG13 H 1 0.76 0.02 . 2 . . . . 198 VAL HG1 . 11001 1 1191 . 1 1 102 102 VAL HG21 H 1 0.83 0.02 . 2 . . . . 198 VAL HG2 . 11001 1 1192 . 1 1 102 102 VAL HG22 H 1 0.83 0.02 . 2 . . . . 198 VAL HG2 . 11001 1 1193 . 1 1 102 102 VAL HG23 H 1 0.83 0.02 . 2 . . . . 198 VAL HG2 . 11001 1 1194 . 1 1 102 102 VAL C C 13 175.7 0.2 . 1 . . . . 198 VAL C . 11001 1 1195 . 1 1 102 102 VAL CA C 13 64.3 0.2 . 1 . . . . 198 VAL CA . 11001 1 1196 . 1 1 102 102 VAL CB C 13 29.2 0.2 . 1 . . . . 198 VAL CB . 11001 1 1197 . 1 1 102 102 VAL CG1 C 13 20.7 0.2 . 1 . . . . 198 VAL CG1 . 11001 1 1198 . 1 1 102 102 VAL CG2 C 13 18.1 0.2 . 1 . . . . 198 VAL CG2 . 11001 1 1199 . 1 1 102 102 VAL N N 15 121.6 0.2 . 1 . . . . 198 VAL N . 11001 1 1200 . 1 1 103 103 ALA H H 1 8.20 0.02 . 1 . . . . 199 ALA HN . 11001 1 1201 . 1 1 103 103 ALA HA H 1 4.40 0.02 . 1 . . . . 199 ALA HA . 11001 1 1202 . 1 1 103 103 ALA HB1 H 1 1.56 0.02 . 1 . . . . 199 ALA HB . 11001 1 1203 . 1 1 103 103 ALA HB2 H 1 1.56 0.02 . 1 . . . . 199 ALA HB . 11001 1 1204 . 1 1 103 103 ALA HB3 H 1 1.56 0.02 . 1 . . . . 199 ALA HB . 11001 1 1205 . 1 1 103 103 ALA C C 13 177.8 0.2 . 1 . . . . 199 ALA C . 11001 1 1206 . 1 1 103 103 ALA CA C 13 52.5 0.2 . 1 . . . . 199 ALA CA . 11001 1 1207 . 1 1 103 103 ALA CB C 13 15.0 0.2 . 1 . . . . 199 ALA CB . 11001 1 1208 . 1 1 103 103 ALA N N 15 125.0 0.2 . 1 . . . . 199 ALA N . 11001 1 1209 . 1 1 104 104 GLN H H 1 8.12 0.02 . 1 . . . . 200 GLN HN . 11001 1 1210 . 1 1 104 104 GLN HA H 1 4.13 0.02 . 1 . . . . 200 GLN HA . 11001 1 1211 . 1 1 104 104 GLN HB2 H 1 2.21 0.02 . 2 . . . . 200 GLN HB2 . 11001 1 1212 . 1 1 104 104 GLN HB3 H 1 2.25 0.02 . 2 . . . . 200 GLN HB3 . 11001 1 1213 . 1 1 104 104 GLN HG2 H 1 2.59 0.02 . 2 . . . . 200 GLN HG2 . 11001 1 1214 . 1 1 104 104 GLN HG3 H 1 2.48 0.02 . 2 . . . . 200 GLN HG3 . 11001 1 1215 . 1 1 104 104 GLN HE21 H 1 6.85 0.02 . 2 . . . . 200 GLN HE21 . 11001 1 1216 . 1 1 104 104 GLN HE22 H 1 7.44 0.02 . 2 . . . . 200 GLN HE22 . 11001 1 1217 . 1 1 104 104 GLN C C 13 176.2 0.2 . 1 . . . . 200 GLN C . 11001 1 1218 . 1 1 104 104 GLN CA C 13 56.4 0.2 . 1 . . . . 200 GLN CA . 11001 1 1219 . 1 1 104 104 GLN CB C 13 25.2 0.2 . 1 . . . . 200 GLN CB . 11001 1 1220 . 1 1 104 104 GLN CG C 13 31.1 0.2 . 1 . . . . 200 GLN CG . 11001 1 1221 . 1 1 104 104 GLN CD C 13 177.6 0.2 . 1 . . . . 200 GLN CD . 11001 1 1222 . 1 1 104 104 GLN N N 15 117.8 0.2 . 1 . . . . 200 GLN N . 11001 1 1223 . 1 1 104 104 GLN NE2 N 15 111.7 0.2 . 1 . . . . 200 GLN NE2 . 11001 1 1224 . 1 1 105 105 ALA H H 1 7.94 0.02 . 1 . . . . 201 ALA HN . 11001 1 1225 . 1 1 105 105 ALA HA H 1 4.44 0.02 . 1 . . . . 201 ALA HA . 11001 1 1226 . 1 1 105 105 ALA HB1 H 1 1.59 0.02 . 1 . . . . 201 ALA HB . 11001 1 1227 . 1 1 105 105 ALA HB2 H 1 1.59 0.02 . 1 . . . . 201 ALA HB . 11001 1 1228 . 1 1 105 105 ALA HB3 H 1 1.59 0.02 . 1 . . . . 201 ALA HB . 11001 1 1229 . 1 1 105 105 ALA C C 13 176.6 0.2 . 1 . . . . 201 ALA C . 11001 1 1230 . 1 1 105 105 ALA CA C 13 52.4 0.2 . 1 . . . . 201 ALA CA . 11001 1 1231 . 1 1 105 105 ALA CB C 13 15.3 0.2 . 1 . . . . 201 ALA CB . 11001 1 1232 . 1 1 105 105 ALA N N 15 122.3 0.2 . 1 . . . . 201 ALA N . 11001 1 1233 . 1 1 106 106 SER H H 1 8.60 0.02 . 1 . . . . 202 SER HN . 11001 1 1234 . 1 1 106 106 SER HA H 1 3.74 0.02 . 1 . . . . 202 SER HA . 11001 1 1235 . 1 1 106 106 SER HB2 H 1 3.93 0.02 . 2 . . . . 202 SER HB2 . 11001 1 1236 . 1 1 106 106 SER HB3 H 1 3.73 0.02 . 2 . . . . 202 SER HB3 . 11001 1 1237 . 1 1 106 106 SER C C 13 174.4 0.2 . 1 . . . . 202 SER C . 11001 1 1238 . 1 1 106 106 SER CA C 13 59.4 0.2 . 1 . . . . 202 SER CA . 11001 1 1239 . 1 1 106 106 SER CB C 13 59.8 0.2 . 1 . . . . 202 SER CB . 11001 1 1240 . 1 1 106 106 SER N N 15 112.9 0.2 . 1 . . . . 202 SER N . 11001 1 1241 . 1 1 107 107 HIS H H 1 8.47 0.02 . 1 . . . . 203 HIS HN . 11001 1 1242 . 1 1 107 107 HIS HA H 1 4.30 0.02 . 1 . . . . 203 HIS HA . 11001 1 1243 . 1 1 107 107 HIS HB2 H 1 3.29 0.02 . 2 . . . . 203 HIS HB2 . 11001 1 1244 . 1 1 107 107 HIS HB3 H 1 3.18 0.02 . 2 . . . . 203 HIS HB3 . 11001 1 1245 . 1 1 107 107 HIS HD2 H 1 6.96 0.02 . 1 . . . . 203 HIS HD2 . 11001 1 1246 . 1 1 107 107 HIS HE1 H 1 8.07 0.02 . 1 . . . . 203 HIS HE1 . 11001 1 1247 . 1 1 107 107 HIS C C 13 176.6 0.2 . 1 . . . . 203 HIS C . 11001 1 1248 . 1 1 107 107 HIS CA C 13 56.4 0.2 . 1 . . . . 203 HIS CA . 11001 1 1249 . 1 1 107 107 HIS CB C 13 26.9 0.2 . 1 . . . . 203 HIS CB . 11001 1 1250 . 1 1 107 107 HIS N N 15 122.8 0.2 . 1 . . . . 203 HIS N . 11001 1 1251 . 1 1 107 107 HIS ND1 N 15 227.6 0.2 . 1 . . . . 203 HIS ND1 . 11001 1 1252 . 1 1 107 107 HIS NE2 N 15 178.2 0.2 . 1 . . . . 203 HIS NE2 . 11001 1 1253 . 1 1 108 108 SER H H 1 7.90 0.02 . 1 . . . . 204 SER HN . 11001 1 1254 . 1 1 108 108 SER HA H 1 4.71 0.02 . 1 . . . . 204 SER HA . 11001 1 1255 . 1 1 108 108 SER HB2 H 1 3.98 0.02 . 1 . . . . 204 SER HB2 . 11001 1 1256 . 1 1 108 108 SER HB3 H 1 3.98 0.02 . 1 . . . . 204 SER HB3 . 11001 1 1257 . 1 1 108 108 SER C C 13 171.6 0.2 . 1 . . . . 204 SER C . 11001 1 1258 . 1 1 108 108 SER CA C 13 59.0 0.2 . 1 . . . . 204 SER CA . 11001 1 1259 . 1 1 108 108 SER CB C 13 60.4 0.2 . 1 . . . . 204 SER CB . 11001 1 1260 . 1 1 108 108 SER N N 15 115.4 0.2 . 1 . . . . 204 SER N . 11001 1 1261 . 1 1 109 109 TYR H H 1 6.82 0.02 . 1 . . . . 205 TYR HN . 11001 1 1262 . 1 1 109 109 TYR HA H 1 3.66 0.02 . 1 . . . . 205 TYR HA . 11001 1 1263 . 1 1 109 109 TYR HB2 H 1 1.75 0.02 . 2 . . . . 205 TYR HB2 . 11001 1 1264 . 1 1 109 109 TYR HB3 H 1 1.34 0.02 . 2 . . . . 205 TYR HB3 . 11001 1 1265 . 1 1 109 109 TYR C C 13 170.0 0.2 . 1 . . . . 205 TYR C . 11001 1 1266 . 1 1 109 109 TYR CA C 13 56.6 0.2 . 1 . . . . 205 TYR CA . 11001 1 1267 . 1 1 109 109 TYR CB C 13 35.2 0.2 . 1 . . . . 205 TYR CB . 11001 1 1268 . 1 1 109 109 TYR N N 15 116.8 0.2 . 1 . . . . 205 TYR N . 11001 1 1269 . 1 1 110 110 ARG H H 1 7.58 0.02 . 1 . . . . 206 ARG HN . 11001 1 1270 . 1 1 110 110 ARG HA H 1 3.98 0.02 . 1 . . . . 206 ARG HA . 11001 1 1271 . 1 1 110 110 ARG N N 15 115.9 0.2 . 1 . . . . 206 ARG N . 11001 1 1272 . 1 1 111 111 VAL H H 1 7.72 0.02 . 1 . . . . 207 VAL HN . 11001 1 1273 . 1 1 111 111 VAL HA H 1 3.52 0.02 . 1 . . . . 207 VAL HA . 11001 1 1274 . 1 1 111 111 VAL HB H 1 1.26 0.02 . 1 . . . . 207 VAL HB . 11001 1 1275 . 1 1 111 111 VAL HG11 H 1 0.52 0.02 . 2 . . . . 207 VAL HG1 . 11001 1 1276 . 1 1 111 111 VAL HG12 H 1 0.52 0.02 . 2 . . . . 207 VAL HG1 . 11001 1 1277 . 1 1 111 111 VAL HG13 H 1 0.52 0.02 . 2 . . . . 207 VAL HG1 . 11001 1 1278 . 1 1 111 111 VAL HG21 H 1 -0.34 0.02 . 2 . . . . 207 VAL HG2 . 11001 1 1279 . 1 1 111 111 VAL HG22 H 1 -0.34 0.02 . 2 . . . . 207 VAL HG2 . 11001 1 1280 . 1 1 111 111 VAL HG23 H 1 -0.34 0.02 . 2 . . . . 207 VAL HG2 . 11001 1 1281 . 1 1 111 111 VAL C C 13 173.0 0.2 . 1 . . . . 207 VAL C . 11001 1 1282 . 1 1 111 111 VAL CA C 13 59.5 0.2 . 1 . . . . 207 VAL CA . 11001 1 1283 . 1 1 111 111 VAL CB C 13 29.7 0.2 . 1 . . . . 207 VAL CB . 11001 1 1284 . 1 1 111 111 VAL CG1 C 13 16.3 0.2 . 1 . . . . 207 VAL CG1 . 11001 1 1285 . 1 1 111 111 VAL CG2 C 13 17.1 0.2 . 1 . . . . 207 VAL CG2 . 11001 1 1286 . 1 1 111 111 VAL N N 15 121.8 0.2 . 1 . . . . 207 VAL N . 11001 1 1287 . 1 1 112 112 TYR H H 1 8.40 0.02 . 1 . . . . 208 TYR HN . 11001 1 1288 . 1 1 112 112 TYR HA H 1 4.67 0.02 . 1 . . . . 208 TYR HA . 11001 1 1289 . 1 1 112 112 TYR HB2 H 1 2.90 0.02 . 2 . . . . 208 TYR HB2 . 11001 1 1290 . 1 1 112 112 TYR HB3 H 1 2.58 0.02 . 2 . . . . 208 TYR HB3 . 11001 1 1291 . 1 1 112 112 TYR C C 13 171.8 0.2 . 1 . . . . 208 TYR C . 11001 1 1292 . 1 1 112 112 TYR CA C 13 53.6 0.2 . 1 . . . . 208 TYR CA . 11001 1 1293 . 1 1 112 112 TYR CB C 13 37.7 0.2 . 1 . . . . 208 TYR CB . 11001 1 1294 . 1 1 112 112 TYR N N 15 129.0 0.2 . 1 . . . . 208 TYR N . 11001 1 1295 . 1 1 113 113 TYR H H 1 7.19 0.02 . 1 . . . . 209 TYR HN . 11001 1 1296 . 1 1 113 113 TYR HA H 1 5.25 0.02 . 1 . . . . 209 TYR HA . 11001 1 1297 . 1 1 113 113 TYR HB2 H 1 2.63 0.02 . 2 . . . . 209 TYR HB2 . 11001 1 1298 . 1 1 113 113 TYR HB3 H 1 2.97 0.02 . 2 . . . . 209 TYR HB3 . 11001 1 1299 . 1 1 113 113 TYR HD1 H 1 6.70 0.02 . 1 . . . . 209 TYR HD1 . 11001 1 1300 . 1 1 113 113 TYR HD2 H 1 6.70 0.02 . 1 . . . . 209 TYR HD2 . 11001 1 1301 . 1 1 113 113 TYR HE1 H 1 6.72 0.02 . 1 . . . . 209 TYR HE1 . 11001 1 1302 . 1 1 113 113 TYR HE2 H 1 6.72 0.02 . 1 . . . . 209 TYR HE2 . 11001 1 1303 . 1 1 113 113 TYR C C 13 171.2 0.2 . 1 . . . . 209 TYR C . 11001 1 1304 . 1 1 113 113 TYR CA C 13 53.4 0.2 . 1 . . . . 209 TYR CA . 11001 1 1305 . 1 1 113 113 TYR CB C 13 36.8 0.2 . 1 . . . . 209 TYR CB . 11001 1 1306 . 1 1 113 113 TYR N N 15 120.6 0.2 . 1 . . . . 209 TYR N . 11001 1 1307 . 1 1 114 114 ASN H H 1 8.41 0.02 . 1 . . . . 210 ASN HN . 11001 1 1308 . 1 1 114 114 ASN HA H 1 4.54 0.02 . 1 . . . . 210 ASN HA . 11001 1 1309 . 1 1 114 114 ASN HB2 H 1 2.48 0.02 . 2 . . . . 210 ASN HB2 . 11001 1 1310 . 1 1 114 114 ASN HB3 H 1 2.66 0.02 . 2 . . . . 210 ASN HB3 . 11001 1 1311 . 1 1 114 114 ASN HD21 H 1 6.55 0.02 . 2 . . . . 210 ASN HD21 . 11001 1 1312 . 1 1 114 114 ASN HD22 H 1 7.32 0.02 . 2 . . . . 210 ASN HD22 . 11001 1 1313 . 1 1 114 114 ASN C C 13 171.2 0.2 . 1 . . . . 210 ASN C . 11001 1 1314 . 1 1 114 114 ASN CA C 13 50.5 0.2 . 1 . . . . 210 ASN CA . 11001 1 1315 . 1 1 114 114 ASN CB C 13 39.5 0.2 . 1 . . . . 210 ASN CB . 11001 1 1316 . 1 1 114 114 ASN N N 15 117.4 0.2 . 1 . . . . 210 ASN N . 11001 1 1317 . 1 1 114 114 ASN ND2 N 15 110.4 0.2 . 1 . . . . 210 ASN ND2 . 11001 1 1318 . 1 1 115 115 ALA H H 1 9.01 0.02 . 1 . . . . 211 ALA HN . 11001 1 1319 . 1 1 115 115 ALA HA H 1 4.50 0.02 . 1 . . . . 211 ALA HA . 11001 1 1320 . 1 1 115 115 ALA HB1 H 1 1.32 0.02 . 1 . . . . 211 ALA HB . 11001 1 1321 . 1 1 115 115 ALA HB2 H 1 1.32 0.02 . 1 . . . . 211 ALA HB . 11001 1 1322 . 1 1 115 115 ALA HB3 H 1 1.32 0.02 . 1 . . . . 211 ALA HB . 11001 1 1323 . 1 1 115 115 ALA C C 13 174.4 0.2 . 1 . . . . 211 ALA C . 11001 1 1324 . 1 1 115 115 ALA CA C 13 50.3 0.2 . 1 . . . . 211 ALA CA . 11001 1 1325 . 1 1 115 115 ALA CB C 13 16.0 0.2 . 1 . . . . 211 ALA CB . 11001 1 1326 . 1 1 115 115 ALA N N 15 131.9 0.2 . 1 . . . . 211 ALA N . 11001 1 1327 . 1 1 116 116 GLY H H 1 8.67 0.02 . 1 . . . . 212 GLY HN . 11001 1 1328 . 1 1 116 116 GLY HA2 H 1 4.25 0.02 . 2 . . . . 212 GLY HA1 . 11001 1 1329 . 1 1 116 116 GLY HA3 H 1 3.96 0.02 . 2 . . . . 212 GLY HA2 . 11001 1 1330 . 1 1 116 116 GLY CA C 13 41.3 0.2 . 1 . . . . 212 GLY CA . 11001 1 1331 . 1 1 116 116 GLY N N 15 110.9 0.2 . 1 . . . . 212 GLY N . 11001 1 1332 . 1 1 117 117 PRO HA H 1 4.29 0.02 . 1 . . . . 213 PRO HA . 11001 1 1333 . 1 1 117 117 PRO HB2 H 1 1.83 0.02 . 2 . . . . 213 PRO HB2 . 11001 1 1334 . 1 1 117 117 PRO HB3 H 1 2.20 0.02 . 2 . . . . 213 PRO HB3 . 11001 1 1335 . 1 1 117 117 PRO HG2 H 1 1.96 0.02 . 2 . . . . 213 PRO HG2 . 11001 1 1336 . 1 1 117 117 PRO HG3 H 1 1.93 0.02 . 2 . . . . 213 PRO HG3 . 11001 1 1337 . 1 1 117 117 PRO HD2 H 1 3.55 0.02 . 2 . . . . 213 PRO HD2 . 11001 1 1338 . 1 1 117 117 PRO HD3 H 1 3.57 0.02 . 2 . . . . 213 PRO HD3 . 11001 1 1339 . 1 1 117 117 PRO C C 13 174.8 0.2 . 1 . . . . 213 PRO C . 11001 1 1340 . 1 1 117 117 PRO CA C 13 59.4 0.2 . 1 . . . . 213 PRO CA . 11001 1 1341 . 1 1 117 117 PRO CB C 13 29.3 0.2 . 1 . . . . 213 PRO CB . 11001 1 1342 . 1 1 117 117 PRO CG C 13 24.2 0.2 . 1 . . . . 213 PRO CG . 11001 1 1343 . 1 1 117 117 PRO CD C 13 46.6 0.2 . 1 . . . . 213 PRO CD . 11001 1 1344 . 1 1 118 118 LYS H H 1 8.26 0.02 . 1 . . . . 214 LYS HN . 11001 1 1345 . 1 1 118 118 LYS HA H 1 4.73 0.02 . 1 . . . . 214 LYS HA . 11001 1 1346 . 1 1 118 118 LYS HB2 H 1 1.65 0.02 . 2 . . . . 214 LYS HB2 . 11001 1 1347 . 1 1 118 118 LYS HB3 H 1 1.66 0.02 . 2 . . . . 214 LYS HB3 . 11001 1 1348 . 1 1 118 118 LYS HG2 H 1 1.04 0.02 . 2 . . . . 214 LYS HG2 . 11001 1 1349 . 1 1 118 118 LYS HG3 H 1 1.29 0.02 . 2 . . . . 214 LYS HG3 . 11001 1 1350 . 1 1 118 118 LYS HD2 H 1 1.49 0.02 . 1 . . . . 214 LYS HD2 . 11001 1 1351 . 1 1 118 118 LYS HD3 H 1 1.49 0.02 . 1 . . . . 214 LYS HD3 . 11001 1 1352 . 1 1 118 118 LYS HE2 H 1 2.64 0.02 . 2 . . . . 214 LYS HE2 . 11001 1 1353 . 1 1 118 118 LYS HE3 H 1 2.58 0.02 . 2 . . . . 214 LYS HE3 . 11001 1 1354 . 1 1 118 118 LYS C C 13 174.7 0.2 . 1 . . . . 214 LYS C . 11001 1 1355 . 1 1 118 118 LYS CA C 13 53.0 0.2 . 1 . . . . 214 LYS CA . 11001 1 1356 . 1 1 118 118 LYS CB C 13 31.3 0.2 . 1 . . . . 214 LYS CB . 11001 1 1357 . 1 1 118 118 LYS CG C 13 23.1 0.2 . 1 . . . . 214 LYS CG . 11001 1 1358 . 1 1 118 118 LYS CD C 13 26.3 0.2 . 1 . . . . 214 LYS CD . 11001 1 1359 . 1 1 118 118 LYS CE C 13 38.7 0.2 . 1 . . . . 214 LYS CE . 11001 1 1360 . 1 1 118 118 LYS N N 15 121.3 0.2 . 1 . . . . 214 LYS N . 11001 1 1361 . 1 1 119 119 ASP H H 1 8.63 0.02 . 1 . . . . 215 ASP HN . 11001 1 1362 . 1 1 119 119 ASP HA H 1 4.71 0.02 . 1 . . . . 215 ASP HA . 11001 1 1363 . 1 1 119 119 ASP HB2 H 1 3.13 0.02 . 2 . . . . 215 ASP HB2 . 11001 1 1364 . 1 1 119 119 ASP HB3 H 1 2.79 0.02 . 2 . . . . 215 ASP HB3 . 11001 1 1365 . 1 1 119 119 ASP C C 13 175.8 0.2 . 1 . . . . 215 ASP C . 11001 1 1366 . 1 1 119 119 ASP CA C 13 49.6 0.2 . 1 . . . . 215 ASP CA . 11001 1 1367 . 1 1 119 119 ASP CB C 13 38.3 0.2 . 1 . . . . 215 ASP CB . 11001 1 1368 . 1 1 119 119 ASP N N 15 123.2 0.2 . 1 . . . . 215 ASP N . 11001 1 1369 . 1 1 120 120 GLU H H 1 8.73 0.02 . 1 . . . . 216 GLU HN . 11001 1 1370 . 1 1 120 120 GLU HA H 1 4.09 0.02 . 1 . . . . 216 GLU HA . 11001 1 1371 . 1 1 120 120 GLU HB2 H 1 2.03 0.02 . 2 . . . . 216 GLU HB2 . 11001 1 1372 . 1 1 120 120 GLU HB3 H 1 1.99 0.02 . 2 . . . . 216 GLU HB3 . 11001 1 1373 . 1 1 120 120 GLU HG2 H 1 2.29 0.02 . 1 . . . . 216 GLU HG2 . 11001 1 1374 . 1 1 120 120 GLU HG3 H 1 2.29 0.02 . 1 . . . . 216 GLU HG3 . 11001 1 1375 . 1 1 120 120 GLU C C 13 174.4 0.2 . 1 . . . . 216 GLU C . 11001 1 1376 . 1 1 120 120 GLU CA C 13 56.2 0.2 . 1 . . . . 216 GLU CA . 11001 1 1377 . 1 1 120 120 GLU CB C 13 26.2 0.2 . 1 . . . . 216 GLU CB . 11001 1 1378 . 1 1 120 120 GLU CG C 13 33.5 0.2 . 1 . . . . 216 GLU CG . 11001 1 1379 . 1 1 120 120 GLU N N 15 118.5 0.2 . 1 . . . . 216 GLU N . 11001 1 1380 . 1 1 121 121 ASP H H 1 8.18 0.02 . 1 . . . . 217 ASP HN . 11001 1 1381 . 1 1 121 121 ASP HA H 1 4.73 0.02 . 1 . . . . 217 ASP HA . 11001 1 1382 . 1 1 121 121 ASP HB2 H 1 2.62 0.02 . 2 . . . . 217 ASP HB2 . 11001 1 1383 . 1 1 121 121 ASP HB3 H 1 2.84 0.02 . 2 . . . . 217 ASP HB3 . 11001 1 1384 . 1 1 121 121 ASP C C 13 172.9 0.2 . 1 . . . . 217 ASP C . 11001 1 1385 . 1 1 121 121 ASP CA C 13 51.4 0.2 . 1 . . . . 217 ASP CA . 11001 1 1386 . 1 1 121 121 ASP CB C 13 38.6 0.2 . 1 . . . . 217 ASP CB . 11001 1 1387 . 1 1 121 121 ASP N N 15 119.3 0.2 . 1 . . . . 217 ASP N . 11001 1 1388 . 1 1 122 122 GLN H H 1 8.23 0.02 . 1 . . . . 218 GLN HN . 11001 1 1389 . 1 1 122 122 GLN HA H 1 3.83 0.02 . 1 . . . . 218 GLN HA . 11001 1 1390 . 1 1 122 122 GLN HB2 H 1 2.33 0.02 . 2 . . . . 218 GLN HB2 . 11001 1 1391 . 1 1 122 122 GLN HB3 H 1 2.37 0.02 . 2 . . . . 218 GLN HB3 . 11001 1 1392 . 1 1 122 122 GLN HG2 H 1 2.37 0.02 . 2 . . . . 218 GLN HG2 . 11001 1 1393 . 1 1 122 122 GLN HG3 H 1 2.22 0.02 . 2 . . . . 218 GLN HG3 . 11001 1 1394 . 1 1 122 122 GLN HE21 H 1 6.76 0.02 . 2 . . . . 218 GLN HE21 . 11001 1 1395 . 1 1 122 122 GLN HE22 H 1 7.38 0.02 . 2 . . . . 218 GLN HE22 . 11001 1 1396 . 1 1 122 122 GLN C C 13 171.8 0.2 . 1 . . . . 218 GLN C . 11001 1 1397 . 1 1 122 122 GLN CA C 13 53.9 0.2 . 1 . . . . 218 GLN CA . 11001 1 1398 . 1 1 122 122 GLN CB C 13 23.7 0.2 . 1 . . . . 218 GLN CB . 11001 1 1399 . 1 1 122 122 GLN CG C 13 31.0 0.2 . 1 . . . . 218 GLN CG . 11001 1 1400 . 1 1 122 122 GLN CD C 13 178.0 0.2 . 1 . . . . 218 GLN CD . 11001 1 1401 . 1 1 122 122 GLN N N 15 113.1 0.2 . 1 . . . . 218 GLN N . 11001 1 1402 . 1 1 122 122 GLN NE2 N 15 113.1 0.2 . 1 . . . . 218 GLN NE2 . 11001 1 1403 . 1 1 123 123 ASP H H 1 8.47 0.02 . 1 . . . . 219 ASP HN . 11001 1 1404 . 1 1 123 123 ASP HA H 1 4.66 0.02 . 1 . . . . 219 ASP HA . 11001 1 1405 . 1 1 123 123 ASP HB2 H 1 2.87 0.02 . 2 . . . . 219 ASP HB2 . 11001 1 1406 . 1 1 123 123 ASP HB3 H 1 2.60 0.02 . 2 . . . . 219 ASP HB3 . 11001 1 1407 . 1 1 123 123 ASP C C 13 172.2 0.2 . 1 . . . . 219 ASP C . 11001 1 1408 . 1 1 123 123 ASP CA C 13 50.6 0.2 . 1 . . . . 219 ASP CA . 11001 1 1409 . 1 1 123 123 ASP CB C 13 39.1 0.2 . 1 . . . . 219 ASP CB . 11001 1 1410 . 1 1 123 123 ASP N N 15 121.4 0.2 . 1 . . . . 219 ASP N . 11001 1 1411 . 1 1 124 124 TYR H H 1 7.56 0.02 . 1 . . . . 220 TYR HN . 11001 1 1412 . 1 1 124 124 TYR HA H 1 4.67 0.02 . 1 . . . . 220 TYR HA . 11001 1 1413 . 1 1 124 124 TYR HB2 H 1 2.60 0.02 . 2 . . . . 220 TYR HB2 . 11001 1 1414 . 1 1 124 124 TYR HB3 H 1 2.96 0.02 . 2 . . . . 220 TYR HB3 . 11001 1 1415 . 1 1 124 124 TYR HD1 H 1 6.67 0.02 . 1 . . . . 220 TYR HD1 . 11001 1 1416 . 1 1 124 124 TYR HD2 H 1 6.67 0.02 . 1 . . . . 220 TYR HD2 . 11001 1 1417 . 1 1 124 124 TYR HE1 H 1 6.49 0.02 . 1 . . . . 220 TYR HE1 . 11001 1 1418 . 1 1 124 124 TYR HE2 H 1 6.49 0.02 . 1 . . . . 220 TYR HE2 . 11001 1 1419 . 1 1 124 124 TYR C C 13 171.5 0.2 . 1 . . . . 220 TYR C . 11001 1 1420 . 1 1 124 124 TYR CA C 13 53.6 0.2 . 1 . . . . 220 TYR CA . 11001 1 1421 . 1 1 124 124 TYR CB C 13 36.7 0.2 . 1 . . . . 220 TYR CB . 11001 1 1422 . 1 1 124 124 TYR N N 15 114.3 0.2 . 1 . . . . 220 TYR N . 11001 1 1423 . 1 1 125 125 ILE H H 1 8.84 0.02 . 1 . . . . 221 ILE HN . 11001 1 1424 . 1 1 125 125 ILE HA H 1 4.47 0.02 . 1 . . . . 221 ILE HA . 11001 1 1425 . 1 1 125 125 ILE HB H 1 2.06 0.02 . 1 . . . . 221 ILE HB . 11001 1 1426 . 1 1 125 125 ILE HG12 H 1 1.39 0.02 . 2 . . . . 221 ILE HG12 . 11001 1 1427 . 1 1 125 125 ILE HG13 H 1 1.51 0.02 . 2 . . . . 221 ILE HG13 . 11001 1 1428 . 1 1 125 125 ILE HG21 H 1 1.08 0.02 . 1 . . . . 221 ILE HG2 . 11001 1 1429 . 1 1 125 125 ILE HG22 H 1 1.08 0.02 . 1 . . . . 221 ILE HG2 . 11001 1 1430 . 1 1 125 125 ILE HG23 H 1 1.08 0.02 . 1 . . . . 221 ILE HG2 . 11001 1 1431 . 1 1 125 125 ILE HD11 H 1 0.98 0.02 . 1 . . . . 221 ILE HD1 . 11001 1 1432 . 1 1 125 125 ILE HD12 H 1 0.98 0.02 . 1 . . . . 221 ILE HD1 . 11001 1 1433 . 1 1 125 125 ILE HD13 H 1 0.98 0.02 . 1 . . . . 221 ILE HD1 . 11001 1 1434 . 1 1 125 125 ILE C C 13 172.4 0.2 . 1 . . . . 221 ILE C . 11001 1 1435 . 1 1 125 125 ILE CA C 13 55.9 0.2 . 1 . . . . 221 ILE CA . 11001 1 1436 . 1 1 125 125 ILE CB C 13 37.8 0.2 . 1 . . . . 221 ILE CB . 11001 1 1437 . 1 1 125 125 ILE CG1 C 13 24.5 0.2 . 1 . . . . 221 ILE CG1 . 11001 1 1438 . 1 1 125 125 ILE CG2 C 13 15.5 0.2 . 1 . . . . 221 ILE CG2 . 11001 1 1439 . 1 1 125 125 ILE CD1 C 13 9.9 0.2 . 1 . . . . 221 ILE CD1 . 11001 1 1440 . 1 1 125 125 ILE N N 15 118.4 0.2 . 1 . . . . 221 ILE N . 11001 1 1441 . 1 1 126 126 VAL H H 1 6.13 0.02 . 1 . . . . 222 VAL HN . 11001 1 1442 . 1 1 126 126 VAL HA H 1 4.23 0.02 . 1 . . . . 222 VAL HA . 11001 1 1443 . 1 1 126 126 VAL HB H 1 0.60 0.02 . 1 . . . . 222 VAL HB . 11001 1 1444 . 1 1 126 126 VAL HG11 H 1 0.34 0.02 . 2 . . . . 222 VAL HG1 . 11001 1 1445 . 1 1 126 126 VAL HG12 H 1 0.34 0.02 . 2 . . . . 222 VAL HG1 . 11001 1 1446 . 1 1 126 126 VAL HG13 H 1 0.34 0.02 . 2 . . . . 222 VAL HG1 . 11001 1 1447 . 1 1 126 126 VAL HG21 H 1 0.64 0.02 . 2 . . . . 222 VAL HG2 . 11001 1 1448 . 1 1 126 126 VAL HG22 H 1 0.64 0.02 . 2 . . . . 222 VAL HG2 . 11001 1 1449 . 1 1 126 126 VAL HG23 H 1 0.64 0.02 . 2 . . . . 222 VAL HG2 . 11001 1 1450 . 1 1 126 126 VAL C C 13 172.3 0.2 . 1 . . . . 222 VAL C . 11001 1 1451 . 1 1 126 126 VAL CA C 13 58.3 0.2 . 1 . . . . 222 VAL CA . 11001 1 1452 . 1 1 126 126 VAL CB C 13 29.8 0.2 . 1 . . . . 222 VAL CB . 11001 1 1453 . 1 1 126 126 VAL CG1 C 13 18.2 0.2 . 1 . . . . 222 VAL CG1 . 11001 1 1454 . 1 1 126 126 VAL CG2 C 13 18.3 0.2 . 1 . . . . 222 VAL CG2 . 11001 1 1455 . 1 1 126 126 VAL N N 15 124.6 0.2 . 1 . . . . 222 VAL N . 11001 1 1456 . 1 1 127 127 ASP H H 1 8.30 0.02 . 1 . . . . 223 ASP HN . 11001 1 1457 . 1 1 127 127 ASP HA H 1 4.74 0.02 . 1 . . . . 223 ASP HA . 11001 1 1458 . 1 1 127 127 ASP HB2 H 1 2.79 0.02 . 2 . . . . 223 ASP HB2 . 11001 1 1459 . 1 1 127 127 ASP HB3 H 1 2.75 0.02 . 2 . . . . 223 ASP HB3 . 11001 1 1460 . 1 1 127 127 ASP C C 13 173.1 0.2 . 1 . . . . 223 ASP C . 11001 1 1461 . 1 1 127 127 ASP CA C 13 51.3 0.2 . 1 . . . . 223 ASP CA . 11001 1 1462 . 1 1 127 127 ASP CB C 13 39.3 0.2 . 1 . . . . 223 ASP CB . 11001 1 1463 . 1 1 127 127 ASP N N 15 129.2 0.2 . 1 . . . . 223 ASP N . 11001 1 1464 . 1 1 128 128 HIS H H 1 8.13 0.02 . 1 . . . . 224 HIS HN . 11001 1 1465 . 1 1 128 128 HIS HA H 1 5.76 0.02 . 1 . . . . 224 HIS HA . 11001 1 1466 . 1 1 128 128 HIS HB2 H 1 3.20 0.02 . 2 . . . . 224 HIS HB2 . 11001 1 1467 . 1 1 128 128 HIS HB3 H 1 2.97 0.02 . 2 . . . . 224 HIS HB3 . 11001 1 1468 . 1 1 128 128 HIS HD1 H 1 11.50 0.02 . 1 . . . . 224 HIS HD1 . 11001 1 1469 . 1 1 128 128 HIS HD2 H 1 7.48 0.02 . 1 . . . . 224 HIS HD2 . 11001 1 1470 . 1 1 128 128 HIS HE1 H 1 8.35 0.02 . 1 . . . . 224 HIS HE1 . 11001 1 1471 . 1 1 128 128 HIS C C 13 172.0 0.2 . 1 . . . . 224 HIS C . 11001 1 1472 . 1 1 128 128 HIS CA C 13 51.2 0.2 . 1 . . . . 224 HIS CA . 11001 1 1473 . 1 1 128 128 HIS CB C 13 29.1 0.2 . 1 . . . . 224 HIS CB . 11001 1 1474 . 1 1 128 128 HIS N N 15 119.1 0.2 . 1 . . . . 224 HIS N . 11001 1 1475 . 1 1 128 128 HIS ND1 N 15 170.4 0.2 . 1 . . . . 224 HIS ND1 . 11001 1 1476 . 1 1 128 128 HIS NE2 N 15 219.8 0.2 . 1 . . . . 224 HIS NE2 . 11001 1 1477 . 1 1 129 129 SER H H 1 9.15 0.02 . 1 . . . . 225 SER HN . 11001 1 1478 . 1 1 129 129 SER HA H 1 3.56 0.02 . 1 . . . . 225 SER HA . 11001 1 1479 . 1 1 129 129 SER HB2 H 1 4.31 0.02 . 1 . . . . 225 SER HB2 . 11001 1 1480 . 1 1 129 129 SER HB3 H 1 4.31 0.02 . 1 . . . . 225 SER HB3 . 11001 1 1481 . 1 1 129 129 SER C C 13 172.9 0.2 . 1 . . . . 225 SER C . 11001 1 1482 . 1 1 129 129 SER CA C 13 55.8 0.2 . 1 . . . . 225 SER CA . 11001 1 1483 . 1 1 129 129 SER CB C 13 61.5 0.2 . 1 . . . . 225 SER CB . 11001 1 1484 . 1 1 129 129 SER N N 15 116.8 0.2 . 1 . . . . 225 SER N . 11001 1 1485 . 1 1 130 130 ILE H H 1 8.89 0.02 . 1 . . . . 226 ILE HN . 11001 1 1486 . 1 1 130 130 ILE HB H 1 1.88 0.02 . 1 . . . . 226 ILE HB . 11001 1 1487 . 1 1 130 130 ILE HG12 H 1 1.21 0.02 . 2 . . . . 226 ILE HG12 . 11001 1 1488 . 1 1 130 130 ILE HG13 H 1 1.40 0.02 . 2 . . . . 226 ILE HG13 . 11001 1 1489 . 1 1 130 130 ILE HG21 H 1 0.95 0.02 . 1 . . . . 226 ILE HG2 . 11001 1 1490 . 1 1 130 130 ILE HG22 H 1 0.95 0.02 . 1 . . . . 226 ILE HG2 . 11001 1 1491 . 1 1 130 130 ILE HG23 H 1 0.95 0.02 . 1 . . . . 226 ILE HG2 . 11001 1 1492 . 1 1 130 130 ILE HD11 H 1 0.87 0.02 . 1 . . . . 226 ILE HD1 . 11001 1 1493 . 1 1 130 130 ILE HD12 H 1 0.87 0.02 . 1 . . . . 226 ILE HD1 . 11001 1 1494 . 1 1 130 130 ILE HD13 H 1 0.87 0.02 . 1 . . . . 226 ILE HD1 . 11001 1 1495 . 1 1 130 130 ILE C C 13 171.6 0.2 . 1 . . . . 226 ILE C . 11001 1 1496 . 1 1 130 130 ILE CA C 13 59.4 0.2 . 1 . . . . 226 ILE CA . 11001 1 1497 . 1 1 130 130 ILE CB C 13 35.6 0.2 . 1 . . . . 226 ILE CB . 11001 1 1498 . 1 1 130 130 ILE CG1 C 13 24.0 0.2 . 1 . . . . 226 ILE CG1 . 11001 1 1499 . 1 1 130 130 ILE CG2 C 13 14.1 0.2 . 1 . . . . 226 ILE CG2 . 11001 1 1500 . 1 1 130 130 ILE CD1 C 13 10.4 0.2 . 1 . . . . 226 ILE CD1 . 11001 1 1501 . 1 1 130 130 ILE N N 15 123.4 0.2 . 1 . . . . 226 ILE N . 11001 1 1502 . 1 1 131 131 ALA H H 1 8.35 0.02 . 1 . . . . 227 ALA HN . 11001 1 1503 . 1 1 131 131 ALA HA H 1 4.84 0.02 . 1 . . . . 227 ALA HA . 11001 1 1504 . 1 1 131 131 ALA HB1 H 1 0.96 0.02 . 1 . . . . 227 ALA HB . 11001 1 1505 . 1 1 131 131 ALA HB2 H 1 0.96 0.02 . 1 . . . . 227 ALA HB . 11001 1 1506 . 1 1 131 131 ALA HB3 H 1 0.96 0.02 . 1 . . . . 227 ALA HB . 11001 1 1507 . 1 1 131 131 ALA C C 13 172.6 0.2 . 1 . . . . 227 ALA C . 11001 1 1508 . 1 1 131 131 ALA CA C 13 49.6 0.2 . 1 . . . . 227 ALA CA . 11001 1 1509 . 1 1 131 131 ALA CB C 13 18.3 0.2 . 1 . . . . 227 ALA CB . 11001 1 1510 . 1 1 131 131 ALA N N 15 127.9 0.2 . 1 . . . . 227 ALA N . 11001 1 1511 . 1 1 132 132 ILE H H 1 8.34 0.02 . 1 . . . . 228 ILE HN . 11001 1 1512 . 1 1 132 132 ILE HA H 1 5.13 0.02 . 1 . . . . 228 ILE HA . 11001 1 1513 . 1 1 132 132 ILE HG12 H 1 1.70 0.02 . 1 . . . . 228 ILE HG12 . 11001 1 1514 . 1 1 132 132 ILE HG13 H 1 1.70 0.02 . 1 . . . . 228 ILE HG13 . 11001 1 1515 . 1 1 132 132 ILE HG21 H 1 0.90 0.02 . 1 . . . . 228 ILE HG2 . 11001 1 1516 . 1 1 132 132 ILE HG22 H 1 0.90 0.02 . 1 . . . . 228 ILE HG2 . 11001 1 1517 . 1 1 132 132 ILE HG23 H 1 0.90 0.02 . 1 . . . . 228 ILE HG2 . 11001 1 1518 . 1 1 132 132 ILE HD11 H 1 0.74 0.02 . 1 . . . . 228 ILE HD1 . 11001 1 1519 . 1 1 132 132 ILE HD12 H 1 0.74 0.02 . 1 . . . . 228 ILE HD1 . 11001 1 1520 . 1 1 132 132 ILE HD13 H 1 0.74 0.02 . 1 . . . . 228 ILE HD1 . 11001 1 1521 . 1 1 132 132 ILE C C 13 172.3 0.2 . 1 . . . . 228 ILE C . 11001 1 1522 . 1 1 132 132 ILE CA C 13 57.4 0.2 . 1 . . . . 228 ILE CA . 11001 1 1523 . 1 1 132 132 ILE CB C 13 38.5 0.2 . 1 . . . . 228 ILE CB . 11001 1 1524 . 1 1 132 132 ILE CG1 C 13 25.3 0.2 . 1 . . . . 228 ILE CG1 . 11001 1 1525 . 1 1 132 132 ILE CG2 C 13 15.8 0.2 . 1 . . . . 228 ILE CG2 . 11001 1 1526 . 1 1 132 132 ILE CD1 C 13 10.4 0.2 . 1 . . . . 228 ILE CD1 . 11001 1 1527 . 1 1 132 132 ILE N N 15 118.3 0.2 . 1 . . . . 228 ILE N . 11001 1 1528 . 1 1 133 133 TYR H H 1 9.64 0.02 . 1 . . . . 229 TYR HN . 11001 1 1529 . 1 1 133 133 TYR HA H 1 4.98 0.02 . 1 . . . . 229 TYR HA . 11001 1 1530 . 1 1 133 133 TYR HB2 H 1 2.82 0.02 . 2 . . . . 229 TYR HB2 . 11001 1 1531 . 1 1 133 133 TYR HB3 H 1 2.63 0.02 . 2 . . . . 229 TYR HB3 . 11001 1 1532 . 1 1 133 133 TYR HD1 H 1 7.21 0.02 . 1 . . . . 229 TYR HD1 . 11001 1 1533 . 1 1 133 133 TYR HD2 H 1 7.21 0.02 . 1 . . . . 229 TYR HD2 . 11001 1 1534 . 1 1 133 133 TYR HE1 H 1 6.81 0.02 . 1 . . . . 229 TYR HE1 . 11001 1 1535 . 1 1 133 133 TYR HE2 H 1 6.81 0.02 . 1 . . . . 229 TYR HE2 . 11001 1 1536 . 1 1 133 133 TYR C C 13 171.7 0.2 . 1 . . . . 229 TYR C . 11001 1 1537 . 1 1 133 133 TYR CA C 13 54.5 0.2 . 1 . . . . 229 TYR CA . 11001 1 1538 . 1 1 133 133 TYR CB C 13 39.0 0.2 . 1 . . . . 229 TYR CB . 11001 1 1539 . 1 1 133 133 TYR N N 15 126.0 0.2 . 1 . . . . 229 TYR N . 11001 1 1540 . 1 1 134 134 LEU H H 1 8.87 0.02 . 1 . . . . 230 LEU HN . 11001 1 1541 . 1 1 134 134 LEU HA H 1 5.78 0.02 . 1 . . . . 230 LEU HA . 11001 1 1542 . 1 1 134 134 LEU HB2 H 1 1.87 0.02 . 2 . . . . 230 LEU HB2 . 11001 1 1543 . 1 1 134 134 LEU HB3 H 1 1.32 0.02 . 2 . . . . 230 LEU HB3 . 11001 1 1544 . 1 1 134 134 LEU HG H 1 1.00 0.02 . 1 . . . . 230 LEU HG . 11001 1 1545 . 1 1 134 134 LEU HD11 H 1 1.22 0.02 . 2 . . . . 230 LEU HD1 . 11001 1 1546 . 1 1 134 134 LEU HD12 H 1 1.22 0.02 . 2 . . . . 230 LEU HD1 . 11001 1 1547 . 1 1 134 134 LEU HD13 H 1 1.22 0.02 . 2 . . . . 230 LEU HD1 . 11001 1 1548 . 1 1 134 134 LEU HD21 H 1 1.22 0.02 . 2 . . . . 230 LEU HD2 . 11001 1 1549 . 1 1 134 134 LEU HD22 H 1 1.22 0.02 . 2 . . . . 230 LEU HD2 . 11001 1 1550 . 1 1 134 134 LEU HD23 H 1 1.22 0.02 . 2 . . . . 230 LEU HD2 . 11001 1 1551 . 1 1 134 134 LEU C C 13 172.8 0.2 . 1 . . . . 230 LEU C . 11001 1 1552 . 1 1 134 134 LEU CA C 13 50.4 0.2 . 1 . . . . 230 LEU CA . 11001 1 1553 . 1 1 134 134 LEU CB C 13 43.6 0.2 . 1 . . . . 230 LEU CB . 11001 1 1554 . 1 1 134 134 LEU CG C 13 24.7 0.2 . 1 . . . . 230 LEU CG . 11001 1 1555 . 1 1 134 134 LEU CD1 C 13 20.8 0.2 . 1 . . . . 230 LEU CD1 . 11001 1 1556 . 1 1 134 134 LEU CD2 C 13 21.1 0.2 . 1 . . . . 230 LEU CD2 . 11001 1 1557 . 1 1 134 134 LEU N N 15 123.0 0.2 . 1 . . . . 230 LEU N . 11001 1 1558 . 1 1 135 135 LEU H H 1 9.72 0.02 . 1 . . . . 231 LEU HN . 11001 1 1559 . 1 1 135 135 LEU HA H 1 5.23 0.02 . 1 . . . . 231 LEU HA . 11001 1 1560 . 1 1 135 135 LEU HB2 H 1 1.25 0.02 . 2 . . . . 231 LEU HB2 . 11001 1 1561 . 1 1 135 135 LEU HB3 H 1 1.70 0.02 . 2 . . . . 231 LEU HB3 . 11001 1 1562 . 1 1 135 135 LEU HG H 1 1.52 0.02 . 1 . . . . 231 LEU HG . 11001 1 1563 . 1 1 135 135 LEU HD11 H 1 0.97 0.02 . 2 . . . . 231 LEU HD1 . 11001 1 1564 . 1 1 135 135 LEU HD12 H 1 0.97 0.02 . 2 . . . . 231 LEU HD1 . 11001 1 1565 . 1 1 135 135 LEU HD13 H 1 0.97 0.02 . 2 . . . . 231 LEU HD1 . 11001 1 1566 . 1 1 135 135 LEU HD21 H 1 0.85 0.02 . 2 . . . . 231 LEU HD2 . 11001 1 1567 . 1 1 135 135 LEU HD22 H 1 0.85 0.02 . 2 . . . . 231 LEU HD2 . 11001 1 1568 . 1 1 135 135 LEU HD23 H 1 0.85 0.02 . 2 . . . . 231 LEU HD2 . 11001 1 1569 . 1 1 135 135 LEU C C 13 173.1 0.2 . 1 . . . . 231 LEU C . 11001 1 1570 . 1 1 135 135 LEU CA C 13 49.6 0.2 . 1 . . . . 231 LEU CA . 11001 1 1571 . 1 1 135 135 LEU CB C 13 40.9 0.2 . 1 . . . . 231 LEU CB . 11001 1 1572 . 1 1 135 135 LEU CG C 13 24.8 0.2 . 1 . . . . 231 LEU CG . 11001 1 1573 . 1 1 135 135 LEU CD1 C 13 19.9 0.2 . 1 . . . . 231 LEU CD1 . 11001 1 1574 . 1 1 135 135 LEU CD2 C 13 21.3 0.2 . 1 . . . . 231 LEU CD2 . 11001 1 1575 . 1 1 135 135 LEU N N 15 127.7 0.2 . 1 . . . . 231 LEU N . 11001 1 1576 . 1 1 136 136 ASN H H 1 8.01 0.02 . 1 . . . . 232 ASN HN . 11001 1 1577 . 1 1 136 136 ASN HA H 1 3.70 0.02 . 1 . . . . 232 ASN HA . 11001 1 1578 . 1 1 136 136 ASN HB2 H 1 2.85 0.02 . 1 . . . . 232 ASN HB2 . 11001 1 1579 . 1 1 136 136 ASN HB3 H 1 2.85 0.02 . 1 . . . . 232 ASN HB3 . 11001 1 1580 . 1 1 136 136 ASN HD21 H 1 7.16 0.02 . 2 . . . . 232 ASN HD21 . 11001 1 1581 . 1 1 136 136 ASN HD22 H 1 8.07 0.02 . 2 . . . . 232 ASN HD22 . 11001 1 1582 . 1 1 136 136 ASN CA C 13 46.9 0.2 . 1 . . . . 232 ASN CA . 11001 1 1583 . 1 1 136 136 ASN CB C 13 33.9 0.2 . 1 . . . . 232 ASN CB . 11001 1 1584 . 1 1 136 136 ASN CG C 13 177.5 0.2 . 1 . . . . 232 ASN CG . 11001 1 1585 . 1 1 136 136 ASN N N 15 119.7 0.2 . 1 . . . . 232 ASN N . 11001 1 1586 . 1 1 136 136 ASN ND2 N 15 114.1 0.2 . 1 . . . . 232 ASN ND2 . 11001 1 1587 . 1 1 137 137 PRO HA H 1 4.21 0.02 . 1 . . . . 233 PRO HA . 11001 1 1588 . 1 1 137 137 PRO HB2 H 1 1.47 0.02 . 2 . . . . 233 PRO HB2 . 11001 1 1589 . 1 1 137 137 PRO HB3 H 1 1.33 0.02 . 2 . . . . 233 PRO HB3 . 11001 1 1590 . 1 1 137 137 PRO HG2 H 1 0.94 0.02 . 1 . . . . 233 PRO HG2 . 11001 1 1591 . 1 1 137 137 PRO HG3 H 1 0.94 0.02 . 1 . . . . 233 PRO HG3 . 11001 1 1592 . 1 1 137 137 PRO HD2 H 1 0.08 0.02 . 2 . . . . 233 PRO HD2 . 11001 1 1593 . 1 1 137 137 PRO HD3 H 1 0.68 0.02 . 2 . . . . 233 PRO HD3 . 11001 1 1594 . 1 1 137 137 PRO C C 13 174.1 0.2 . 1 . . . . 233 PRO C . 11001 1 1595 . 1 1 137 137 PRO CA C 13 61.1 0.2 . 1 . . . . 233 PRO CA . 11001 1 1596 . 1 1 137 137 PRO CB C 13 28.6 0.2 . 1 . . . . 233 PRO CB . 11001 1 1597 . 1 1 137 137 PRO CG C 13 24.2 0.2 . 1 . . . . 233 PRO CG . 11001 1 1598 . 1 1 137 137 PRO CD C 13 47.2 0.2 . 1 . . . . 233 PRO CD . 11001 1 1599 . 1 1 138 138 ASP H H 1 7.23 0.02 . 1 . . . . 234 ASP HN . 11001 1 1600 . 1 1 138 138 ASP HA H 1 4.78 0.02 . 1 . . . . 234 ASP HA . 11001 1 1601 . 1 1 138 138 ASP HB2 H 1 2.74 0.02 . 2 . . . . 234 ASP HB2 . 11001 1 1602 . 1 1 138 138 ASP HB3 H 1 2.85 0.02 . 2 . . . . 234 ASP HB3 . 11001 1 1603 . 1 1 138 138 ASP C C 13 173.8 0.2 . 1 . . . . 234 ASP C . 11001 1 1604 . 1 1 138 138 ASP CA C 13 51.2 0.2 . 1 . . . . 234 ASP CA . 11001 1 1605 . 1 1 138 138 ASP CB C 13 38.3 0.2 . 1 . . . . 234 ASP CB . 11001 1 1606 . 1 1 138 138 ASP N N 15 115.0 0.2 . 1 . . . . 234 ASP N . 11001 1 1607 . 1 1 139 139 GLY H H 1 8.69 0.02 . 1 . . . . 235 GLY HN . 11001 1 1608 . 1 1 139 139 GLY HA2 H 1 3.46 0.02 . 2 . . . . 235 GLY HA1 . 11001 1 1609 . 1 1 139 139 GLY HA3 H 1 4.11 0.02 . 2 . . . . 235 GLY HA2 . 11001 1 1610 . 1 1 139 139 GLY C C 13 171.1 0.2 . 1 . . . . 235 GLY C . 11001 1 1611 . 1 1 139 139 GLY CA C 13 42.2 0.2 . 1 . . . . 235 GLY CA . 11001 1 1612 . 1 1 139 139 GLY N N 15 109.4 0.2 . 1 . . . . 235 GLY N . 11001 1 1613 . 1 1 140 140 LEU H H 1 7.48 0.02 . 1 . . . . 236 LEU HN . 11001 1 1614 . 1 1 140 140 LEU HA H 1 4.48 0.02 . 1 . . . . 236 LEU HA . 11001 1 1615 . 1 1 140 140 LEU HB2 H 1 1.55 0.02 . 2 . . . . 236 LEU HB2 . 11001 1 1616 . 1 1 140 140 LEU HB3 H 1 1.50 0.02 . 2 . . . . 236 LEU HB3 . 11001 1 1617 . 1 1 140 140 LEU HG H 1 1.48 0.02 . 1 . . . . 236 LEU HG . 11001 1 1618 . 1 1 140 140 LEU HD11 H 1 0.84 0.02 . 2 . . . . 236 LEU HD1 . 11001 1 1619 . 1 1 140 140 LEU HD12 H 1 0.84 0.02 . 2 . . . . 236 LEU HD1 . 11001 1 1620 . 1 1 140 140 LEU HD13 H 1 0.84 0.02 . 2 . . . . 236 LEU HD1 . 11001 1 1621 . 1 1 140 140 LEU HD21 H 1 0.97 0.02 . 2 . . . . 236 LEU HD2 . 11001 1 1622 . 1 1 140 140 LEU HD22 H 1 0.97 0.02 . 2 . . . . 236 LEU HD2 . 11001 1 1623 . 1 1 140 140 LEU HD23 H 1 0.97 0.02 . 2 . . . . 236 LEU HD2 . 11001 1 1624 . 1 1 140 140 LEU CA C 13 51.3 0.2 . 1 . . . . 236 LEU CA . 11001 1 1625 . 1 1 140 140 LEU CB C 13 39.0 0.2 . 1 . . . . 236 LEU CB . 11001 1 1626 . 1 1 140 140 LEU CG C 13 24.0 0.2 . 1 . . . . 236 LEU CG . 11001 1 1627 . 1 1 140 140 LEU CD1 C 13 20.4 0.2 . 1 . . . . 236 LEU CD1 . 11001 1 1628 . 1 1 140 140 LEU CD2 C 13 21.3 0.2 . 1 . . . . 236 LEU CD2 . 11001 1 1629 . 1 1 140 140 LEU N N 15 121.5 0.2 . 1 . . . . 236 LEU N . 11001 1 1630 . 1 1 141 141 PHE HA H 1 4.66 0.02 . 1 . . . . 237 PHE HA . 11001 1 1631 . 1 1 141 141 PHE HB2 H 1 2.89 0.02 . 2 . . . . 237 PHE HB2 . 11001 1 1632 . 1 1 141 141 PHE HB3 H 1 3.00 0.02 . 2 . . . . 237 PHE HB3 . 11001 1 1633 . 1 1 141 141 PHE HD1 H 1 7.09 0.02 . 1 . . . . 237 PHE HD1 . 11001 1 1634 . 1 1 141 141 PHE HD2 H 1 7.09 0.02 . 1 . . . . 237 PHE HD2 . 11001 1 1635 . 1 1 141 141 PHE C C 13 172.3 0.2 . 1 . . . . 237 PHE C . 11001 1 1636 . 1 1 141 141 PHE CA C 13 54.8 0.2 . 1 . . . . 237 PHE CA . 11001 1 1637 . 1 1 141 141 PHE CB C 13 36.2 0.2 . 1 . . . . 237 PHE CB . 11001 1 1638 . 1 1 142 142 THR H H 1 9.08 0.02 . 1 . . . . 238 THR HN . 11001 1 1639 . 1 1 142 142 THR HA H 1 4.18 0.02 . 1 . . . . 238 THR HA . 11001 1 1640 . 1 1 142 142 THR HB H 1 3.45 0.02 . 1 . . . . 238 THR HB . 11001 1 1641 . 1 1 142 142 THR HG21 H 1 0.68 0.02 . 1 . . . . 238 THR HG2 . 11001 1 1642 . 1 1 142 142 THR HG22 H 1 0.68 0.02 . 1 . . . . 238 THR HG2 . 11001 1 1643 . 1 1 142 142 THR HG23 H 1 0.68 0.02 . 1 . . . . 238 THR HG2 . 11001 1 1644 . 1 1 142 142 THR C C 13 168.9 0.2 . 1 . . . . 238 THR C . 11001 1 1645 . 1 1 142 142 THR CA C 13 61.8 0.2 . 1 . . . . 238 THR CA . 11001 1 1646 . 1 1 142 142 THR CB C 13 68.1 0.2 . 1 . . . . 238 THR CB . 11001 1 1647 . 1 1 142 142 THR CG2 C 13 17.6 0.2 . 1 . . . . 238 THR CG2 . 11001 1 1648 . 1 1 142 142 THR N N 15 126.1 0.2 . 1 . . . . 238 THR N . 11001 1 1649 . 1 1 143 143 ASP H H 1 7.55 0.02 . 1 . . . . 239 ASP HN . 11001 1 1650 . 1 1 143 143 ASP HA H 1 4.48 0.02 . 1 . . . . 239 ASP HA . 11001 1 1651 . 1 1 143 143 ASP HB2 H 1 2.34 0.02 . 2 . . . . 239 ASP HB2 . 11001 1 1652 . 1 1 143 143 ASP HB3 H 1 2.15 0.02 . 2 . . . . 239 ASP HB3 . 11001 1 1653 . 1 1 143 143 ASP C C 13 170.1 0.2 . 1 . . . . 239 ASP C . 11001 1 1654 . 1 1 143 143 ASP CA C 13 49.9 0.2 . 1 . . . . 239 ASP CA . 11001 1 1655 . 1 1 143 143 ASP CB C 13 40.7 0.2 . 1 . . . . 239 ASP CB . 11001 1 1656 . 1 1 143 143 ASP N N 15 119.0 0.2 . 1 . . . . 239 ASP N . 11001 1 1657 . 1 1 144 144 TYR H H 1 9.12 0.02 . 1 . . . . 240 TYR HN . 11001 1 1658 . 1 1 144 144 TYR HA H 1 4.99 0.02 . 1 . . . . 240 TYR HA . 11001 1 1659 . 1 1 144 144 TYR HB2 H 1 2.59 0.02 . 2 . . . . 240 TYR HB2 . 11001 1 1660 . 1 1 144 144 TYR HB3 H 1 2.48 0.02 . 2 . . . . 240 TYR HB3 . 11001 1 1661 . 1 1 144 144 TYR HD1 H 1 6.91 0.02 . 1 . . . . 240 TYR HD1 . 11001 1 1662 . 1 1 144 144 TYR HD2 H 1 6.91 0.02 . 1 . . . . 240 TYR HD2 . 11001 1 1663 . 1 1 144 144 TYR C C 13 170.0 0.2 . 1 . . . . 240 TYR C . 11001 1 1664 . 1 1 144 144 TYR CA C 13 53.3 0.2 . 1 . . . . 240 TYR CA . 11001 1 1665 . 1 1 144 144 TYR CB C 13 39.1 0.2 . 1 . . . . 240 TYR CB . 11001 1 1666 . 1 1 144 144 TYR N N 15 119.1 0.2 . 1 . . . . 240 TYR N . 11001 1 1667 . 1 1 145 145 TYR H H 1 9.04 0.02 . 1 . . . . 241 TYR HN . 11001 1 1668 . 1 1 145 145 TYR HA H 1 4.70 0.02 . 1 . . . . 241 TYR HA . 11001 1 1669 . 1 1 145 145 TYR HB2 H 1 2.66 0.02 . 2 . . . . 241 TYR HB2 . 11001 1 1670 . 1 1 145 145 TYR HB3 H 1 3.14 0.02 . 2 . . . . 241 TYR HB3 . 11001 1 1671 . 1 1 145 145 TYR HD1 H 1 6.88 0.02 . 1 . . . . 241 TYR HD1 . 11001 1 1672 . 1 1 145 145 TYR HD2 H 1 6.88 0.02 . 1 . . . . 241 TYR HD2 . 11001 1 1673 . 1 1 145 145 TYR HE1 H 1 6.81 0.02 . 1 . . . . 241 TYR HE1 . 11001 1 1674 . 1 1 145 145 TYR HE2 H 1 6.81 0.02 . 1 . . . . 241 TYR HE2 . 11001 1 1675 . 1 1 145 145 TYR C C 13 173.1 0.2 . 1 . . . . 241 TYR C . 11001 1 1676 . 1 1 145 145 TYR CA C 13 53.1 0.2 . 1 . . . . 241 TYR CA . 11001 1 1677 . 1 1 145 145 TYR CB C 13 38.2 0.2 . 1 . . . . 241 TYR CB . 11001 1 1678 . 1 1 145 145 TYR N N 15 122.5 0.2 . 1 . . . . 241 TYR N . 11001 1 1679 . 1 1 146 146 GLY H H 1 8.74 0.02 . 1 . . . . 242 GLY HN . 11001 1 1680 . 1 1 146 146 GLY HA2 H 1 3.97 0.02 . 2 . . . . 242 GLY HA1 . 11001 1 1681 . 1 1 146 146 GLY HA3 H 1 4.49 0.02 . 2 . . . . 242 GLY HA2 . 11001 1 1682 . 1 1 146 146 GLY C C 13 173.7 0.2 . 1 . . . . 242 GLY C . 11001 1 1683 . 1 1 146 146 GLY CA C 13 41.2 0.2 . 1 . . . . 242 GLY CA . 11001 1 1684 . 1 1 146 146 GLY N N 15 111.3 0.2 . 1 . . . . 242 GLY N . 11001 1 1685 . 1 1 147 147 ARG H H 1 8.45 0.02 . 1 . . . . 243 ARG HN . 11001 1 1686 . 1 1 147 147 ARG HA H 1 4.13 0.02 . 1 . . . . 243 ARG HA . 11001 1 1687 . 1 1 147 147 ARG C C 13 174.2 0.2 . 1 . . . . 243 ARG C . 11001 1 1688 . 1 1 147 147 ARG CA C 13 55.8 0.2 . 1 . . . . 243 ARG CA . 11001 1 1689 . 1 1 147 147 ARG CB C 13 28.6 0.2 . 1 . . . . 243 ARG CB . 11001 1 1690 . 1 1 147 147 ARG CG C 13 21.8 0.2 . 1 . . . . 243 ARG CG . 11001 1 1691 . 1 1 147 147 ARG CD C 13 39.0 0.2 . 1 . . . . 243 ARG CD . 11001 1 1692 . 1 1 147 147 ARG N N 15 119.0 0.2 . 1 . . . . 243 ARG N . 11001 1 1693 . 1 1 148 148 SER H H 1 8.17 0.02 . 1 . . . . 244 SER HN . 11001 1 1694 . 1 1 148 148 SER HA H 1 4.25 0.02 . 1 . . . . 244 SER HA . 11001 1 1695 . 1 1 148 148 SER C C 13 172.4 0.2 . 1 . . . . 244 SER C . 11001 1 1696 . 1 1 148 148 SER CA C 13 56.2 0.2 . 1 . . . . 244 SER CA . 11001 1 1697 . 1 1 148 148 SER CB C 13 60.4 0.2 . 1 . . . . 244 SER CB . 11001 1 1698 . 1 1 148 148 SER N N 15 108.7 0.2 . 1 . . . . 244 SER N . 11001 1 1699 . 1 1 149 149 ARG H H 1 7.67 0.02 . 1 . . . . 245 ARG HN . 11001 1 1700 . 1 1 149 149 ARG HA H 1 4.43 0.02 . 1 . . . . 245 ARG HA . 11001 1 1701 . 1 1 149 149 ARG HB2 H 1 1.92 0.02 . 2 . . . . 245 ARG HB2 . 11001 1 1702 . 1 1 149 149 ARG HB3 H 1 1.88 0.02 . 2 . . . . 245 ARG HB3 . 11001 1 1703 . 1 1 149 149 ARG HG2 H 1 2.39 0.02 . 2 . . . . 245 ARG HG2 . 11001 1 1704 . 1 1 149 149 ARG HG3 H 1 2.35 0.02 . 2 . . . . 245 ARG HG3 . 11001 1 1705 . 1 1 149 149 ARG HD2 H 1 3.24 0.02 . 2 . . . . 245 ARG HD2 . 11001 1 1706 . 1 1 149 149 ARG HD3 H 1 3.19 0.02 . 2 . . . . 245 ARG HD3 . 11001 1 1707 . 1 1 149 149 ARG C C 13 172.7 0.2 . 1 . . . . 245 ARG C . 11001 1 1708 . 1 1 149 149 ARG CA C 13 50.4 0.2 . 1 . . . . 245 ARG CA . 11001 1 1709 . 1 1 149 149 ARG CB C 13 26.2 0.2 . 1 . . . . 245 ARG CB . 11001 1 1710 . 1 1 149 149 ARG CG C 13 23.6 0.2 . 1 . . . . 245 ARG CG . 11001 1 1711 . 1 1 149 149 ARG CD C 13 39.6 0.2 . 1 . . . . 245 ARG CD . 11001 1 1712 . 1 1 149 149 ARG N N 15 121.3 0.2 . 1 . . . . 245 ARG N . 11001 1 1713 . 1 1 150 150 SER H H 1 8.57 0.02 . 1 . . . . 246 SER HN . 11001 1 1714 . 1 1 150 150 SER HA H 1 4.32 0.02 . 1 . . . . 246 SER HA . 11001 1 1715 . 1 1 150 150 SER HB2 H 1 4.02 0.02 . 2 . . . . 246 SER HB2 . 11001 1 1716 . 1 1 150 150 SER HB3 H 1 3.97 0.02 . 2 . . . . 246 SER HB3 . 11001 1 1717 . 1 1 150 150 SER C C 13 172.2 0.2 . 1 . . . . 246 SER C . 11001 1 1718 . 1 1 150 150 SER CA C 13 53.5 0.2 . 1 . . . . 246 SER CA . 11001 1 1719 . 1 1 150 150 SER CB C 13 63.1 0.2 . 1 . . . . 246 SER CB . 11001 1 1720 . 1 1 150 150 SER N N 15 119.8 0.2 . 1 . . . . 246 SER N . 11001 1 1721 . 1 1 151 151 ALA H H 1 9.25 0.02 . 1 . . . . 247 ALA HN . 11001 1 1722 . 1 1 151 151 ALA HA H 1 3.67 0.02 . 1 . . . . 247 ALA HA . 11001 1 1723 . 1 1 151 151 ALA HB1 H 1 1.33 0.02 . 1 . . . . 247 ALA HB . 11001 1 1724 . 1 1 151 151 ALA HB2 H 1 1.33 0.02 . 1 . . . . 247 ALA HB . 11001 1 1725 . 1 1 151 151 ALA HB3 H 1 1.33 0.02 . 1 . . . . 247 ALA HB . 11001 1 1726 . 1 1 151 151 ALA C C 13 176.6 0.2 . 1 . . . . 247 ALA C . 11001 1 1727 . 1 1 151 151 ALA CA C 13 52.3 0.2 . 1 . . . . 247 ALA CA . 11001 1 1728 . 1 1 151 151 ALA CB C 13 15.1 0.2 . 1 . . . . 247 ALA CB . 11001 1 1729 . 1 1 151 151 ALA N N 15 122.0 0.2 . 1 . . . . 247 ALA N . 11001 1 1730 . 1 1 152 152 GLU H H 1 8.56 0.02 . 1 . . . . 248 GLU HN . 11001 1 1731 . 1 1 152 152 GLU HA H 1 4.48 0.02 . 1 . . . . 248 GLU HA . 11001 1 1732 . 1 1 152 152 GLU HB2 H 1 1.91 0.02 . 1 . . . . 248 GLU HB2 . 11001 1 1733 . 1 1 152 152 GLU HB3 H 1 1.91 0.02 . 1 . . . . 248 GLU HB3 . 11001 1 1734 . 1 1 152 152 GLU HG2 H 1 2.28 0.02 . 2 . . . . 248 GLU HG2 . 11001 1 1735 . 1 1 152 152 GLU C C 13 176.3 0.2 . 1 . . . . 248 GLU C . 11001 1 1736 . 1 1 152 152 GLU CA C 13 57.1 0.2 . 1 . . . . 248 GLU CA . 11001 1 1737 . 1 1 152 152 GLU CB C 13 26.2 0.2 . 1 . . . . 248 GLU CB . 11001 1 1738 . 1 1 152 152 GLU CG C 13 34.0 0.2 . 1 . . . . 248 GLU CG . 11001 1 1739 . 1 1 152 152 GLU N N 15 117.3 0.2 . 1 . . . . 248 GLU N . 11001 1 1740 . 1 1 153 153 GLN H H 1 7.56 0.02 . 1 . . . . 249 GLN HN . 11001 1 1741 . 1 1 153 153 GLN HA H 1 4.01 0.02 . 1 . . . . 249 GLN HA . 11001 1 1742 . 1 1 153 153 GLN HB2 H 1 2.43 0.02 . 1 . . . . 249 GLN HB2 . 11001 1 1743 . 1 1 153 153 GLN HB3 H 1 2.43 0.02 . 1 . . . . 249 GLN HB3 . 11001 1 1744 . 1 1 153 153 GLN HG2 H 1 2.19 0.02 . 1 . . . . 249 GLN HG2 . 11001 1 1745 . 1 1 153 153 GLN HG3 H 1 2.19 0.02 . 1 . . . . 249 GLN HG3 . 11001 1 1746 . 1 1 153 153 GLN C C 13 177.7 0.2 . 1 . . . . 249 GLN C . 11001 1 1747 . 1 1 153 153 GLN CA C 13 55.8 0.2 . 1 . . . . 249 GLN CA . 11001 1 1748 . 1 1 153 153 GLN CB C 13 25.2 0.2 . 1 . . . . 249 GLN CB . 11001 1 1749 . 1 1 153 153 GLN CG C 13 33.5 0.2 . 1 . . . . 249 GLN CG . 11001 1 1750 . 1 1 153 153 GLN N N 15 119.0 0.2 . 1 . . . . 249 GLN N . 11001 1 1751 . 1 1 154 154 ILE H H 1 8.40 0.02 . 1 . . . . 250 ILE HN . 11001 1 1752 . 1 1 154 154 ILE HA H 1 3.01 0.02 . 1 . . . . 250 ILE HA . 11001 1 1753 . 1 1 154 154 ILE HB H 1 1.49 0.02 . 1 . . . . 250 ILE HB . 11001 1 1754 . 1 1 154 154 ILE HG12 H 1 0.14 0.02 . 2 . . . . 250 ILE HG12 . 11001 1 1755 . 1 1 154 154 ILE HG13 H 1 0.18 0.02 . 2 . . . . 250 ILE HG13 . 11001 1 1756 . 1 1 154 154 ILE HG21 H 1 0.02 0.02 . 1 . . . . 250 ILE HG2 . 11001 1 1757 . 1 1 154 154 ILE HG22 H 1 0.02 0.02 . 1 . . . . 250 ILE HG2 . 11001 1 1758 . 1 1 154 154 ILE HG23 H 1 0.02 0.02 . 1 . . . . 250 ILE HG2 . 11001 1 1759 . 1 1 154 154 ILE HD11 H 1 0.44 0.02 . 1 . . . . 250 ILE HD1 . 11001 1 1760 . 1 1 154 154 ILE HD12 H 1 0.44 0.02 . 1 . . . . 250 ILE HD1 . 11001 1 1761 . 1 1 154 154 ILE HD13 H 1 0.44 0.02 . 1 . . . . 250 ILE HD1 . 11001 1 1762 . 1 1 154 154 ILE C C 13 174.7 0.2 . 1 . . . . 250 ILE C . 11001 1 1763 . 1 1 154 154 ILE CA C 13 62.6 0.2 . 1 . . . . 250 ILE CA . 11001 1 1764 . 1 1 154 154 ILE CB C 13 33.8 0.2 . 1 . . . . 250 ILE CB . 11001 1 1765 . 1 1 154 154 ILE CG1 C 13 24.6 0.2 . 1 . . . . 250 ILE CG1 . 11001 1 1766 . 1 1 154 154 ILE CG2 C 13 13.7 0.2 . 1 . . . . 250 ILE CG2 . 11001 1 1767 . 1 1 154 154 ILE CD1 C 13 11.1 0.2 . 1 . . . . 250 ILE CD1 . 11001 1 1768 . 1 1 154 154 ILE N N 15 121.7 0.2 . 1 . . . . 250 ILE N . 11001 1 1769 . 1 1 155 155 SER H H 1 8.80 0.02 . 1 . . . . 251 SER HN . 11001 1 1770 . 1 1 155 155 SER HA H 1 3.75 0.02 . 1 . . . . 251 SER HA . 11001 1 1771 . 1 1 155 155 SER HB2 H 1 3.78 0.02 . 2 . . . . 251 SER HB2 . 11001 1 1772 . 1 1 155 155 SER HB3 H 1 3.67 0.02 . 2 . . . . 251 SER HB3 . 11001 1 1773 . 1 1 155 155 SER C C 13 173.2 0.2 . 1 . . . . 251 SER C . 11001 1 1774 . 1 1 155 155 SER CA C 13 60.1 0.2 . 1 . . . . 251 SER CA . 11001 1 1775 . 1 1 155 155 SER CB C 13 59.6 0.2 . 1 . . . . 251 SER CB . 11001 1 1776 . 1 1 155 155 SER N N 15 116.2 0.2 . 1 . . . . 251 SER N . 11001 1 1777 . 1 1 156 156 ASP H H 1 7.72 0.02 . 1 . . . . 252 ASP HN . 11001 1 1778 . 1 1 156 156 ASP HA H 1 4.23 0.02 . 1 . . . . 252 ASP HA . 11001 1 1779 . 1 1 156 156 ASP HB2 H 1 2.70 0.02 . 2 . . . . 252 ASP HB2 . 11001 1 1780 . 1 1 156 156 ASP HB3 H 1 2.51 0.02 . 2 . . . . 252 ASP HB3 . 11001 1 1781 . 1 1 156 156 ASP C C 13 175.1 0.2 . 1 . . . . 252 ASP C . 11001 1 1782 . 1 1 156 156 ASP CA C 13 54.3 0.2 . 1 . . . . 252 ASP CA . 11001 1 1783 . 1 1 156 156 ASP CB C 13 38.2 0.2 . 1 . . . . 252 ASP CB . 11001 1 1784 . 1 1 156 156 ASP N N 15 119.9 0.2 . 1 . . . . 252 ASP N . 11001 1 1785 . 1 1 157 157 SER H H 1 7.30 0.02 . 1 . . . . 253 SER HN . 11001 1 1786 . 1 1 157 157 SER HA H 1 4.71 0.02 . 1 . . . . 253 SER HA . 11001 1 1787 . 1 1 157 157 SER HB2 H 1 4.05 0.02 . 2 . . . . 253 SER HB2 . 11001 1 1788 . 1 1 157 157 SER HB3 H 1 4.11 0.02 . 2 . . . . 253 SER HB3 . 11001 1 1789 . 1 1 157 157 SER C C 13 174.3 0.2 . 1 . . . . 253 SER C . 11001 1 1790 . 1 1 157 157 SER CA C 13 57.5 0.2 . 1 . . . . 253 SER CA . 11001 1 1791 . 1 1 157 157 SER CB C 13 59.8 0.2 . 1 . . . . 253 SER CB . 11001 1 1792 . 1 1 157 157 SER N N 15 112.6 0.2 . 1 . . . . 253 SER N . 11001 1 1793 . 1 1 158 158 VAL H H 1 9.09 0.02 . 1 . . . . 254 VAL HN . 11001 1 1794 . 1 1 158 158 VAL HA H 1 3.37 0.02 . 1 . . . . 254 VAL HA . 11001 1 1795 . 1 1 158 158 VAL HB H 1 1.90 0.02 . 1 . . . . 254 VAL HB . 11001 1 1796 . 1 1 158 158 VAL HG11 H 1 0.61 0.02 . 2 . . . . 254 VAL HG1 . 11001 1 1797 . 1 1 158 158 VAL HG12 H 1 0.61 0.02 . 2 . . . . 254 VAL HG1 . 11001 1 1798 . 1 1 158 158 VAL HG13 H 1 0.61 0.02 . 2 . . . . 254 VAL HG1 . 11001 1 1799 . 1 1 158 158 VAL HG21 H 1 1.00 0.02 . 2 . . . . 254 VAL HG2 . 11001 1 1800 . 1 1 158 158 VAL HG22 H 1 1.00 0.02 . 2 . . . . 254 VAL HG2 . 11001 1 1801 . 1 1 158 158 VAL HG23 H 1 1.00 0.02 . 2 . . . . 254 VAL HG2 . 11001 1 1802 . 1 1 158 158 VAL C C 13 175.0 0.2 . 1 . . . . 254 VAL C . 11001 1 1803 . 1 1 158 158 VAL CA C 13 64.7 0.2 . 1 . . . . 254 VAL CA . 11001 1 1804 . 1 1 158 158 VAL CB C 13 28.3 0.2 . 1 . . . . 254 VAL CB . 11001 1 1805 . 1 1 158 158 VAL CG1 C 13 18.5 0.2 . 1 . . . . 254 VAL CG1 . 11001 1 1806 . 1 1 158 158 VAL CG2 C 13 21.0 0.2 . 1 . . . . 254 VAL CG2 . 11001 1 1807 . 1 1 158 158 VAL N N 15 120.2 0.2 . 1 . . . . 254 VAL N . 11001 1 1808 . 1 1 159 159 ARG H H 1 8.27 0.02 . 1 . . . . 255 ARG HN . 11001 1 1809 . 1 1 159 159 ARG HA H 1 3.81 0.02 . 1 . . . . 255 ARG HA . 11001 1 1810 . 1 1 159 159 ARG HB2 H 1 1.74 0.02 . 1 . . . . 255 ARG HB2 . 11001 1 1811 . 1 1 159 159 ARG HB3 H 1 1.74 0.02 . 1 . . . . 255 ARG HB3 . 11001 1 1812 . 1 1 159 159 ARG HG2 H 1 1.46 0.02 . 2 . . . . 255 ARG HG2 . 11001 1 1813 . 1 1 159 159 ARG HG3 H 1 1.69 0.02 . 2 . . . . 255 ARG HG3 . 11001 1 1814 . 1 1 159 159 ARG HD2 H 1 3.11 0.02 . 1 . . . . 255 ARG HD2 . 11001 1 1815 . 1 1 159 159 ARG HD3 H 1 3.11 0.02 . 1 . . . . 255 ARG HD3 . 11001 1 1816 . 1 1 159 159 ARG C C 13 176.8 0.2 . 1 . . . . 255 ARG C . 11001 1 1817 . 1 1 159 159 ARG CA C 13 57.4 0.2 . 1 . . . . 255 ARG CA . 11001 1 1818 . 1 1 159 159 ARG CB C 13 26.9 0.2 . 1 . . . . 255 ARG CB . 11001 1 1819 . 1 1 159 159 ARG CG C 13 25.8 0.2 . 1 . . . . 255 ARG CG . 11001 1 1820 . 1 1 159 159 ARG CD C 13 40.1 0.2 . 1 . . . . 255 ARG CD . 11001 1 1821 . 1 1 159 159 ARG N N 15 118.0 0.2 . 1 . . . . 255 ARG N . 11001 1 1822 . 1 1 160 160 ARG H H 1 7.46 0.02 . 1 . . . . 256 ARG HN . 11001 1 1823 . 1 1 160 160 ARG HA H 1 4.01 0.02 . 1 . . . . 256 ARG HA . 11001 1 1824 . 1 1 160 160 ARG HB2 H 1 1.86 0.02 . 2 . . . . 256 ARG HB2 . 11001 1 1825 . 1 1 160 160 ARG HB3 H 1 1.73 0.02 . 2 . . . . 256 ARG HB3 . 11001 1 1826 . 1 1 160 160 ARG HG2 H 1 1.47 0.02 . 1 . . . . 256 ARG HG2 . 11001 1 1827 . 1 1 160 160 ARG HG3 H 1 1.47 0.02 . 1 . . . . 256 ARG HG3 . 11001 1 1828 . 1 1 160 160 ARG HD2 H 1 3.01 0.02 . 2 . . . . 256 ARG HD2 . 11001 1 1829 . 1 1 160 160 ARG HD3 H 1 3.11 0.02 . 2 . . . . 256 ARG HD3 . 11001 1 1830 . 1 1 160 160 ARG C C 13 177.5 0.2 . 1 . . . . 256 ARG C . 11001 1 1831 . 1 1 160 160 ARG CA C 13 56.5 0.2 . 1 . . . . 256 ARG CA . 11001 1 1832 . 1 1 160 160 ARG CB C 13 26.7 0.2 . 1 . . . . 256 ARG CB . 11001 1 1833 . 1 1 160 160 ARG CG C 13 24.9 0.2 . 1 . . . . 256 ARG CG . 11001 1 1834 . 1 1 160 160 ARG CD C 13 40.5 0.2 . 1 . . . . 256 ARG CD . 11001 1 1835 . 1 1 160 160 ARG N N 15 120.2 0.2 . 1 . . . . 256 ARG N . 11001 1 1836 . 1 1 161 161 HIS H H 1 8.27 0.02 . 1 . . . . 257 HIS HN . 11001 1 1837 . 1 1 161 161 HIS HA H 1 4.57 0.02 . 1 . . . . 257 HIS HA . 11001 1 1838 . 1 1 161 161 HIS HB2 H 1 2.93 0.02 . 2 . . . . 257 HIS HB2 . 11001 1 1839 . 1 1 161 161 HIS HB3 H 1 3.01 0.02 . 2 . . . . 257 HIS HB3 . 11001 1 1840 . 1 1 161 161 HIS HD2 H 1 6.58 0.02 . 1 . . . . 257 HIS HD2 . 11001 1 1841 . 1 1 161 161 HIS HE1 H 1 7.72 0.02 . 1 . . . . 257 HIS HE1 . 11001 1 1842 . 1 1 161 161 HIS C C 13 176.9 0.2 . 1 . . . . 257 HIS C . 11001 1 1843 . 1 1 161 161 HIS CA C 13 57.1 0.2 . 1 . . . . 257 HIS CA . 11001 1 1844 . 1 1 161 161 HIS CB C 13 27.6 0.2 . 1 . . . . 257 HIS CB . 11001 1 1845 . 1 1 161 161 HIS N N 15 121.2 0.2 . 1 . . . . 257 HIS N . 11001 1 1846 . 1 1 161 161 HIS ND1 N 15 244.4 0.2 . 1 . . . . 257 HIS ND1 . 11001 1 1847 . 1 1 161 161 HIS NE2 N 15 168.1 0.2 . 1 . . . . 257 HIS NE2 . 11001 1 1848 . 1 1 162 162 MET H H 1 8.66 0.02 . 1 . . . . 258 MET HN . 11001 1 1849 . 1 1 162 162 MET HA H 1 3.98 0.02 . 1 . . . . 258 MET HA . 11001 1 1850 . 1 1 162 162 MET HB2 H 1 1.72 0.02 . 2 . . . . 258 MET HB2 . 11001 1 1851 . 1 1 162 162 MET HB3 H 1 0.59 0.02 . 2 . . . . 258 MET HB3 . 11001 1 1852 . 1 1 162 162 MET HG2 H 1 1.02 0.02 . 2 . . . . 258 MET HG2 . 11001 1 1853 . 1 1 162 162 MET HG3 H 1 1.31 0.02 . 2 . . . . 258 MET HG3 . 11001 1 1854 . 1 1 162 162 MET HE1 H 1 0.86 0.02 . 1 . . . . 258 MET HE . 11001 1 1855 . 1 1 162 162 MET HE2 H 1 0.86 0.02 . 1 . . . . 258 MET HE . 11001 1 1856 . 1 1 162 162 MET HE3 H 1 0.86 0.02 . 1 . . . . 258 MET HE . 11001 1 1857 . 1 1 162 162 MET C C 13 176.2 0.2 . 1 . . . . 258 MET C . 11001 1 1858 . 1 1 162 162 MET CA C 13 57.0 0.2 . 1 . . . . 258 MET CA . 11001 1 1859 . 1 1 162 162 MET CB C 13 29.0 0.2 . 1 . . . . 258 MET CB . 11001 1 1860 . 1 1 162 162 MET CG C 13 33.9 0.2 . 1 . . . . 258 MET CG . 11001 1 1861 . 1 1 162 162 MET N N 15 119.7 0.2 . 1 . . . . 258 MET N . 11001 1 1862 . 1 1 163 163 ALA H H 1 7.70 0.02 . 1 . . . . 259 ALA HN . 11001 1 1863 . 1 1 163 163 ALA HA H 1 4.21 0.02 . 1 . . . . 259 ALA HA . 11001 1 1864 . 1 1 163 163 ALA HB1 H 1 1.51 0.02 . 1 . . . . 259 ALA HB . 11001 1 1865 . 1 1 163 163 ALA HB2 H 1 1.51 0.02 . 1 . . . . 259 ALA HB . 11001 1 1866 . 1 1 163 163 ALA HB3 H 1 1.51 0.02 . 1 . . . . 259 ALA HB . 11001 1 1867 . 1 1 163 163 ALA C C 13 176.2 0.2 . 1 . . . . 259 ALA C . 11001 1 1868 . 1 1 163 163 ALA CA C 13 51.3 0.2 . 1 . . . . 259 ALA CA . 11001 1 1869 . 1 1 163 163 ALA CB C 13 15.2 0.2 . 1 . . . . 259 ALA CB . 11001 1 1870 . 1 1 163 163 ALA N N 15 120.4 0.2 . 1 . . . . 259 ALA N . 11001 1 1871 . 1 1 164 164 ALA H H 1 7.56 0.02 . 1 . . . . 260 ALA HN . 11001 1 1872 . 1 1 164 164 ALA HA H 1 4.39 0.02 . 1 . . . . 260 ALA HA . 11001 1 1873 . 1 1 164 164 ALA HB1 H 1 1.57 0.02 . 1 . . . . 260 ALA HB . 11001 1 1874 . 1 1 164 164 ALA HB2 H 1 1.57 0.02 . 1 . . . . 260 ALA HB . 11001 1 1875 . 1 1 164 164 ALA HB3 H 1 1.57 0.02 . 1 . . . . 260 ALA HB . 11001 1 1876 . 1 1 164 164 ALA C C 13 175.4 0.2 . 1 . . . . 260 ALA C . 11001 1 1877 . 1 1 164 164 ALA CA C 13 49.7 0.2 . 1 . . . . 260 ALA CA . 11001 1 1878 . 1 1 164 164 ALA CB C 13 16.4 0.2 . 1 . . . . 260 ALA CB . 11001 1 1879 . 1 1 164 164 ALA N N 15 119.1 0.2 . 1 . . . . 260 ALA N . 11001 1 1880 . 1 1 165 165 PHE H H 1 7.64 0.02 . 1 . . . . 261 PHE HN . 11001 1 1881 . 1 1 165 165 PHE HA H 1 4.55 0.02 . 1 . . . . 261 PHE HA . 11001 1 1882 . 1 1 165 165 PHE HB2 H 1 3.45 0.02 . 2 . . . . 261 PHE HB2 . 11001 1 1883 . 1 1 165 165 PHE HB3 H 1 3.81 0.02 . 2 . . . . 261 PHE HB3 . 11001 1 1884 . 1 1 165 165 PHE HD1 H 1 7.43 0.02 . 1 . . . . 261 PHE HD1 . 11001 1 1885 . 1 1 165 165 PHE HD2 H 1 7.43 0.02 . 1 . . . . 261 PHE HD2 . 11001 1 1886 . 1 1 165 165 PHE HE1 H 1 7.14 0.02 . 1 . . . . 261 PHE HE1 . 11001 1 1887 . 1 1 165 165 PHE HE2 H 1 7.14 0.02 . 1 . . . . 261 PHE HE2 . 11001 1 1888 . 1 1 165 165 PHE C C 13 172.6 0.2 . 1 . . . . 261 PHE C . 11001 1 1889 . 1 1 165 165 PHE CA C 13 56.8 0.2 . 1 . . . . 261 PHE CA . 11001 1 1890 . 1 1 165 165 PHE CB C 13 38.1 0.2 . 1 . . . . 261 PHE CB . 11001 1 1891 . 1 1 165 165 PHE N N 15 120.1 0.2 . 1 . . . . 261 PHE N . 11001 1 1892 . 1 1 166 166 ARG H H 1 7.62 0.02 . 1 . . . . 262 ARG HN . 11001 1 1893 . 1 1 166 166 ARG HA H 1 4.07 0.02 . 1 . . . . 262 ARG HA . 11001 1 1894 . 1 1 166 166 ARG HB2 H 1 1.69 0.02 . 2 . . . . 262 ARG HB2 . 11001 1 1895 . 1 1 166 166 ARG HB3 H 1 1.65 0.02 . 2 . . . . 262 ARG HB3 . 11001 1 1896 . 1 1 166 166 ARG HG2 H 1 1.51 0.02 . 1 . . . . 262 ARG HG2 . 11001 1 1897 . 1 1 166 166 ARG HG3 H 1 1.51 0.02 . 1 . . . . 262 ARG HG3 . 11001 1 1898 . 1 1 166 166 ARG HD2 H 1 3.20 0.02 . 2 . . . . 262 ARG HD2 . 11001 1 1899 . 1 1 166 166 ARG HD3 H 1 3.16 0.02 . 2 . . . . 262 ARG HD3 . 11001 1 1900 . 1 1 166 166 ARG C C 13 172.0 0.2 . 1 . . . . 262 ARG C . 11001 1 1901 . 1 1 166 166 ARG CA C 13 52.1 0.2 . 1 . . . . 262 ARG CA . 11001 1 1902 . 1 1 166 166 ARG CB C 13 28.4 0.2 . 1 . . . . 262 ARG CB . 11001 1 1903 . 1 1 166 166 ARG CG C 13 23.8 0.2 . 1 . . . . 262 ARG CG . 11001 1 1904 . 1 1 166 166 ARG CD C 13 40.3 0.2 . 1 . . . . 262 ARG CD . 11001 1 1905 . 1 1 166 166 ARG N N 15 125.7 0.2 . 1 . . . . 262 ARG N . 11001 1 1906 . 1 1 167 167 SER H H 1 8.00 0.02 . 1 . . . . 263 SER HN . 11001 1 1907 . 1 1 167 167 SER HA H 1 4.49 0.02 . 1 . . . . 263 SER HA . 11001 1 1908 . 1 1 167 167 SER HB2 H 1 3.73 0.02 . 2 . . . . 263 SER HB2 . 11001 1 1909 . 1 1 167 167 SER HB3 H 1 3.93 0.02 . 2 . . . . 263 SER HB3 . 11001 1 1910 . 1 1 167 167 SER C C 13 173.2 0.2 . 1 . . . . 263 SER C . 11001 1 1911 . 1 1 167 167 SER CA C 13 54.9 0.2 . 1 . . . . 263 SER CA . 11001 1 1912 . 1 1 167 167 SER CB C 13 60.6 0.2 . 1 . . . . 263 SER CB . 11001 1 1913 . 1 1 167 167 SER N N 15 117.3 0.2 . 1 . . . . 263 SER N . 11001 1 1914 . 1 1 168 168 VAL H H 1 8.72 0.02 . 1 . . . . 264 VAL HN . 11001 1 1915 . 1 1 168 168 VAL HA H 1 4.28 0.02 . 1 . . . . 264 VAL HA . 11001 1 1916 . 1 1 168 168 VAL HB H 1 2.24 0.02 . 1 . . . . 264 VAL HB . 11001 1 1917 . 1 1 168 168 VAL HG11 H 1 0.92 0.02 . 2 . . . . 264 VAL HG1 . 11001 1 1918 . 1 1 168 168 VAL HG12 H 1 0.92 0.02 . 2 . . . . 264 VAL HG1 . 11001 1 1919 . 1 1 168 168 VAL HG13 H 1 0.92 0.02 . 2 . . . . 264 VAL HG1 . 11001 1 1920 . 1 1 168 168 VAL HG21 H 1 0.88 0.02 . 2 . . . . 264 VAL HG2 . 11001 1 1921 . 1 1 168 168 VAL HG22 H 1 0.88 0.02 . 2 . . . . 264 VAL HG2 . 11001 1 1922 . 1 1 168 168 VAL HG23 H 1 0.88 0.02 . 2 . . . . 264 VAL HG2 . 11001 1 1923 . 1 1 168 168 VAL C C 13 173.6 0.2 . 1 . . . . 264 VAL C . 11001 1 1924 . 1 1 168 168 VAL CA C 13 58.9 0.2 . 1 . . . . 264 VAL CA . 11001 1 1925 . 1 1 168 168 VAL CB C 13 29.1 0.2 . 1 . . . . 264 VAL CB . 11001 1 1926 . 1 1 168 168 VAL CG1 C 13 17.6 0.2 . 1 . . . . 264 VAL CG1 . 11001 1 1927 . 1 1 168 168 VAL CG2 C 13 15.9 0.2 . 1 . . . . 264 VAL CG2 . 11001 1 1928 . 1 1 168 168 VAL N N 15 122.6 0.2 . 1 . . . . 264 VAL N . 11001 1 1929 . 1 1 169 169 LEU H H 1 8.20 0.02 . 1 . . . . 265 LEU HN . 11001 1 1930 . 1 1 169 169 LEU HA H 1 4.43 0.02 . 1 . . . . 265 LEU HA . 11001 1 1931 . 1 1 169 169 LEU HB2 H 1 1.57 0.02 . 1 . . . . 265 LEU HB2 . 11001 1 1932 . 1 1 169 169 LEU HB3 H 1 1.57 0.02 . 1 . . . . 265 LEU HB3 . 11001 1 1933 . 1 1 169 169 LEU HG H 1 1.54 0.02 . 1 . . . . 265 LEU HG . 11001 1 1934 . 1 1 169 169 LEU HD11 H 1 0.80 0.02 . 2 . . . . 265 LEU HD1 . 11001 1 1935 . 1 1 169 169 LEU HD12 H 1 0.80 0.02 . 2 . . . . 265 LEU HD1 . 11001 1 1936 . 1 1 169 169 LEU HD13 H 1 0.80 0.02 . 2 . . . . 265 LEU HD1 . 11001 1 1937 . 1 1 169 169 LEU HD21 H 1 0.88 0.02 . 2 . . . . 265 LEU HD2 . 11001 1 1938 . 1 1 169 169 LEU HD22 H 1 0.88 0.02 . 2 . . . . 265 LEU HD2 . 11001 1 1939 . 1 1 169 169 LEU HD23 H 1 0.88 0.02 . 2 . . . . 265 LEU HD2 . 11001 1 1940 . 1 1 169 169 LEU C C 13 173.8 0.2 . 1 . . . . 265 LEU C . 11001 1 1941 . 1 1 169 169 LEU CA C 13 52.0 0.2 . 1 . . . . 265 LEU CA . 11001 1 1942 . 1 1 169 169 LEU CB C 13 39.3 0.2 . 1 . . . . 265 LEU CB . 11001 1 1943 . 1 1 169 169 LEU CG C 13 23.9 0.2 . 1 . . . . 265 LEU CG . 11001 1 1944 . 1 1 169 169 LEU CD1 C 13 20.0 0.2 . 1 . . . . 265 LEU CD1 . 11001 1 1945 . 1 1 169 169 LEU CD2 C 13 22.1 0.2 . 1 . . . . 265 LEU CD2 . 11001 1 1946 . 1 1 169 169 LEU N N 15 124.9 0.2 . 1 . . . . 265 LEU N . 11001 1 1947 . 1 1 170 170 SER H H 1 7.73 0.02 . 1 . . . . 266 SER HN . 11001 1 1948 . 1 1 170 170 SER HA H 1 4.23 0.02 . 1 . . . . 266 SER HA . 11001 1 1949 . 1 1 170 170 SER HB2 H 1 3.80 0.02 . 1 . . . . 266 SER HB2 . 11001 1 1950 . 1 1 170 170 SER HB3 H 1 3.80 0.02 . 1 . . . . 266 SER HB3 . 11001 1 1951 . 1 1 170 170 SER CA C 13 57.1 0.2 . 1 . . . . 266 SER CA . 11001 1 1952 . 1 1 170 170 SER CB C 13 62.1 0.2 . 1 . . . . 266 SER CB . 11001 1 1953 . 1 1 170 170 SER N N 15 121.9 0.2 . 1 . . . . 266 SER N . 11001 1 stop_ save_