data_16685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16685 _Entry.Title ; NMR resonance assignment of the major extracytoplasmic domain of MreC from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-20 _Entry.Accession_date 2010-01-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Annika Kyburz . . . 16685 2 Vytautas Raulinaitis . . . 16685 3 Outi Koskela . . . 16685 4 Vesa Kontinen . . . 16685 5 Perttu Permi . . . 16685 6 Ilkka Kilpelainen . . . 16685 7 Raili Seppala-Lehto . . . 16685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 566 16685 '15N chemical shifts' 170 16685 '1H chemical shifts' 1165 16685 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2010-01-20 update BMRB 'Update entry citation' 16685 1 . . 2010-07-27 2010-01-20 original author 'original release' 16685 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20623345 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of the major extracytoplasmic domain of the cell shape-determining protein MreC from Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 235 _Citation.Page_last 238 _Citation.Year 2010 _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 Annika Kyburz . . . 16685 1 2 Vytautas Raulinaitis . . . 16685 1 3 Outi Koskela . . . 16685 1 4 Vesa Kontinen . . . 16685 1 5 Perttu Permi . . . 16685 1 6 Ilkka Kilpelainen . . . 16685 1 7 Raili Seppala . . . 16685 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus subtilis' 16685 1 'cell shape-determining protein' 16685 1 MreC 16685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16685 _Assembly.ID 1 _Assembly.Name MreC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MreC 1 $MreC A . yes native no no . . . 16685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MreC _Entity.Sf_category entity _Entity.Sf_framecode MreC _Entity.Entry_ID 16685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MreC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGHVKSIKDYKPILATVIA RSPDNWAKQVTINKGTQQNV AKDMAVTNEKGALIGKIKSS GLNNFTSAVQLLSDTDRNNR VATKISGKKGSKGYGLIEGY DKEKKRLKMTIIERKDKQDV KKGDLIETSGTGGVFPEGLT IGEVTDIESDSYGLTKVAYV KPAADLTDLNNVIVVNRD ; _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'major extracytoplasmic domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19225.8340 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAI86290 . "cell-shape determining protein [Bacillus subtilis subsp. natto BEST195]" . . . . . 98.88 272 99.43 99.43 3.98e-118 . . . . 16685 1 2 no DBJ BAM53237 . "rod shape-determining protein MreC [Bacillus subtilis BEST7613]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 3 no DBJ BAM58879 . "rod shape-determining protein MreC [Bacillus subtilis BEST7003]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 4 no DBJ GAK80355 . "rod shape-determining protein MreC [Bacillus subtilis Miyagi-4]" . . . . . 98.88 272 99.43 99.43 3.98e-118 . . . . 16685 1 5 no EMBL CAB14762 . "cell-shape determining protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 6 no EMBL CCU59293 . "Rod shape-determining protein MreC [Bacillus subtilis E1]" . . . . . 98.88 290 98.86 99.43 2.30e-117 . . . . 16685 1 7 no EMBL CEI58031 . "cell shape-determining protein MreC [Bacillus subtilis]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 8 no EMBL CEJ78453 . "cell shape-determining protein MreC [Bacillus sp.]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 9 no EMBL CJR47029 . "rod shape-determining protein MreC [Streptococcus pneumoniae]" . . . . . 98.88 290 99.43 100.00 7.01e-118 . . . . 16685 1 10 no GB AAA22398 . "MreC protein [Bacillus subtilis]" . . . . . 98.88 290 98.86 98.86 8.80e-117 . . . . 16685 1 11 no GB AAA22606 . "putative [Bacillus subtilis]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 12 no GB ADM38751 . "cell-shape determining protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 98.88 290 99.43 99.43 5.34e-118 . . . . 16685 1 13 no GB ADV93593 . "rod shape-determining protein MreC [Bacillus subtilis BSn5]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 14 no GB AEP87648 . "rod shape-determining protein MreC [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 98.88 290 99.43 99.43 5.34e-118 . . . . 16685 1 15 no PRF 2207195A . "mreC gene" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 16 no REF NP_390680 . "cell shape-determining protein MreC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 17 no REF WP_003222609 . "MULTISPECIES: cell shape-determining protein MreC [Bacillales]" . . . . . 98.88 290 99.43 99.43 5.34e-118 . . . . 16685 1 18 no REF WP_003237571 . "cell shape-determining protein MreC [Bacillus subtilis]" . . . . . 98.88 290 98.30 99.43 1.08e-116 . . . . 16685 1 19 no REF WP_009967915 . "MULTISPECIES: cell shape-determining protein MreC [Bacillus]" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 20 no REF WP_010335163 . "MULTISPECIES: rod shape-determining protein MreC [Bacillaceae]" . . . . . 98.88 290 97.16 98.86 2.10e-115 . . . . 16685 1 21 no SP P84480 . "RecName: Full=Cell shape-determining protein MreC; AltName: Full=Cell shape protein MreC; AltName: Full=Rod shape-determining p" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 22 no SP Q01466 . "RecName: Full=Cell shape-determining protein MreC; AltName: Full=Cell shape protein MreC; AltName: Full=Rod shape-determining p" . . . . . 98.88 290 100.00 100.00 1.06e-118 . . . . 16685 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell shape-determining protein' 16685 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 -2 GLY . 16685 1 2 -1 SER . 16685 1 3 104 GLY . 16685 1 4 105 HIS . 16685 1 5 106 VAL . 16685 1 6 107 LYS . 16685 1 7 108 SER . 16685 1 8 109 ILE . 16685 1 9 110 LYS . 16685 1 10 111 ASP . 16685 1 11 112 TYR . 16685 1 12 113 LYS . 16685 1 13 114 PRO . 16685 1 14 115 ILE . 16685 1 15 116 LEU . 16685 1 16 117 ALA . 16685 1 17 118 THR . 16685 1 18 119 VAL . 16685 1 19 120 ILE . 16685 1 20 121 ALA . 16685 1 21 122 ARG . 16685 1 22 123 SER . 16685 1 23 124 PRO . 16685 1 24 125 ASP . 16685 1 25 126 ASN . 16685 1 26 127 TRP . 16685 1 27 128 ALA . 16685 1 28 129 LYS . 16685 1 29 130 GLN . 16685 1 30 131 VAL . 16685 1 31 132 THR . 16685 1 32 133 ILE . 16685 1 33 134 ASN . 16685 1 34 135 LYS . 16685 1 35 136 GLY . 16685 1 36 137 THR . 16685 1 37 138 GLN . 16685 1 38 139 GLN . 16685 1 39 140 ASN . 16685 1 40 141 VAL . 16685 1 41 142 ALA . 16685 1 42 143 LYS . 16685 1 43 144 ASP . 16685 1 44 145 MET . 16685 1 45 146 ALA . 16685 1 46 147 VAL . 16685 1 47 148 THR . 16685 1 48 149 ASN . 16685 1 49 150 GLU . 16685 1 50 151 LYS . 16685 1 51 152 GLY . 16685 1 52 153 ALA . 16685 1 53 154 LEU . 16685 1 54 155 ILE . 16685 1 55 156 GLY . 16685 1 56 157 LYS . 16685 1 57 158 ILE . 16685 1 58 159 LYS . 16685 1 59 160 SER . 16685 1 60 161 SER . 16685 1 61 162 GLY . 16685 1 62 163 LEU . 16685 1 63 164 ASN . 16685 1 64 165 ASN . 16685 1 65 166 PHE . 16685 1 66 167 THR . 16685 1 67 168 SER . 16685 1 68 169 ALA . 16685 1 69 170 VAL . 16685 1 70 171 GLN . 16685 1 71 172 LEU . 16685 1 72 173 LEU . 16685 1 73 174 SER . 16685 1 74 175 ASP . 16685 1 75 176 THR . 16685 1 76 177 ASP . 16685 1 77 178 ARG . 16685 1 78 179 ASN . 16685 1 79 180 ASN . 16685 1 80 181 ARG . 16685 1 81 182 VAL . 16685 1 82 183 ALA . 16685 1 83 184 THR . 16685 1 84 185 LYS . 16685 1 85 186 ILE . 16685 1 86 187 SER . 16685 1 87 188 GLY . 16685 1 88 189 LYS . 16685 1 89 190 LYS . 16685 1 90 191 GLY . 16685 1 91 192 SER . 16685 1 92 193 LYS . 16685 1 93 194 GLY . 16685 1 94 195 TYR . 16685 1 95 196 GLY . 16685 1 96 197 LEU . 16685 1 97 198 ILE . 16685 1 98 199 GLU . 16685 1 99 200 GLY . 16685 1 100 201 TYR . 16685 1 101 202 ASP . 16685 1 102 203 LYS . 16685 1 103 204 GLU . 16685 1 104 205 LYS . 16685 1 105 206 LYS . 16685 1 106 207 ARG . 16685 1 107 208 LEU . 16685 1 108 209 LYS . 16685 1 109 210 MET . 16685 1 110 211 THR . 16685 1 111 212 ILE . 16685 1 112 213 ILE . 16685 1 113 214 GLU . 16685 1 114 215 ARG . 16685 1 115 216 LYS . 16685 1 116 217 ASP . 16685 1 117 218 LYS . 16685 1 118 219 GLN . 16685 1 119 220 ASP . 16685 1 120 221 VAL . 16685 1 121 222 LYS . 16685 1 122 223 LYS . 16685 1 123 224 GLY . 16685 1 124 225 ASP . 16685 1 125 226 LEU . 16685 1 126 227 ILE . 16685 1 127 228 GLU . 16685 1 128 229 THR . 16685 1 129 230 SER . 16685 1 130 231 GLY . 16685 1 131 232 THR . 16685 1 132 233 GLY . 16685 1 133 234 GLY . 16685 1 134 235 VAL . 16685 1 135 236 PHE . 16685 1 136 237 PRO . 16685 1 137 238 GLU . 16685 1 138 239 GLY . 16685 1 139 240 LEU . 16685 1 140 241 THR . 16685 1 141 242 ILE . 16685 1 142 243 GLY . 16685 1 143 244 GLU . 16685 1 144 245 VAL . 16685 1 145 246 THR . 16685 1 146 247 ASP . 16685 1 147 248 ILE . 16685 1 148 249 GLU . 16685 1 149 250 SER . 16685 1 150 251 ASP . 16685 1 151 252 SER . 16685 1 152 253 TYR . 16685 1 153 254 GLY . 16685 1 154 255 LEU . 16685 1 155 256 THR . 16685 1 156 257 LYS . 16685 1 157 258 VAL . 16685 1 158 259 ALA . 16685 1 159 260 TYR . 16685 1 160 261 VAL . 16685 1 161 262 LYS . 16685 1 162 263 PRO . 16685 1 163 264 ALA . 16685 1 164 265 ALA . 16685 1 165 266 ASP . 16685 1 166 267 LEU . 16685 1 167 268 THR . 16685 1 168 269 ASP . 16685 1 169 270 LEU . 16685 1 170 271 ASN . 16685 1 171 272 ASN . 16685 1 172 273 VAL . 16685 1 173 274 ILE . 16685 1 174 275 VAL . 16685 1 175 276 VAL . 16685 1 176 277 ASN . 16685 1 177 278 ARG . 16685 1 178 279 ASP . 16685 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16685 1 . SER 2 2 16685 1 . GLY 3 3 16685 1 . HIS 4 4 16685 1 . VAL 5 5 16685 1 . LYS 6 6 16685 1 . SER 7 7 16685 1 . ILE 8 8 16685 1 . LYS 9 9 16685 1 . ASP 10 10 16685 1 . TYR 11 11 16685 1 . LYS 12 12 16685 1 . PRO 13 13 16685 1 . ILE 14 14 16685 1 . LEU 15 15 16685 1 . ALA 16 16 16685 1 . THR 17 17 16685 1 . VAL 18 18 16685 1 . ILE 19 19 16685 1 . ALA 20 20 16685 1 . ARG 21 21 16685 1 . SER 22 22 16685 1 . PRO 23 23 16685 1 . ASP 24 24 16685 1 . ASN 25 25 16685 1 . TRP 26 26 16685 1 . ALA 27 27 16685 1 . LYS 28 28 16685 1 . GLN 29 29 16685 1 . VAL 30 30 16685 1 . THR 31 31 16685 1 . ILE 32 32 16685 1 . ASN 33 33 16685 1 . LYS 34 34 16685 1 . GLY 35 35 16685 1 . THR 36 36 16685 1 . GLN 37 37 16685 1 . GLN 38 38 16685 1 . ASN 39 39 16685 1 . VAL 40 40 16685 1 . ALA 41 41 16685 1 . LYS 42 42 16685 1 . ASP 43 43 16685 1 . MET 44 44 16685 1 . ALA 45 45 16685 1 . VAL 46 46 16685 1 . THR 47 47 16685 1 . ASN 48 48 16685 1 . GLU 49 49 16685 1 . LYS 50 50 16685 1 . GLY 51 51 16685 1 . ALA 52 52 16685 1 . LEU 53 53 16685 1 . ILE 54 54 16685 1 . GLY 55 55 16685 1 . LYS 56 56 16685 1 . ILE 57 57 16685 1 . LYS 58 58 16685 1 . SER 59 59 16685 1 . SER 60 60 16685 1 . GLY 61 61 16685 1 . LEU 62 62 16685 1 . ASN 63 63 16685 1 . ASN 64 64 16685 1 . PHE 65 65 16685 1 . THR 66 66 16685 1 . SER 67 67 16685 1 . ALA 68 68 16685 1 . VAL 69 69 16685 1 . GLN 70 70 16685 1 . LEU 71 71 16685 1 . LEU 72 72 16685 1 . SER 73 73 16685 1 . ASP 74 74 16685 1 . THR 75 75 16685 1 . ASP 76 76 16685 1 . ARG 77 77 16685 1 . ASN 78 78 16685 1 . ASN 79 79 16685 1 . ARG 80 80 16685 1 . VAL 81 81 16685 1 . ALA 82 82 16685 1 . THR 83 83 16685 1 . LYS 84 84 16685 1 . ILE 85 85 16685 1 . SER 86 86 16685 1 . GLY 87 87 16685 1 . LYS 88 88 16685 1 . LYS 89 89 16685 1 . GLY 90 90 16685 1 . SER 91 91 16685 1 . LYS 92 92 16685 1 . GLY 93 93 16685 1 . TYR 94 94 16685 1 . GLY 95 95 16685 1 . LEU 96 96 16685 1 . ILE 97 97 16685 1 . GLU 98 98 16685 1 . GLY 99 99 16685 1 . TYR 100 100 16685 1 . ASP 101 101 16685 1 . LYS 102 102 16685 1 . GLU 103 103 16685 1 . LYS 104 104 16685 1 . LYS 105 105 16685 1 . ARG 106 106 16685 1 . LEU 107 107 16685 1 . LYS 108 108 16685 1 . MET 109 109 16685 1 . THR 110 110 16685 1 . ILE 111 111 16685 1 . ILE 112 112 16685 1 . GLU 113 113 16685 1 . ARG 114 114 16685 1 . LYS 115 115 16685 1 . ASP 116 116 16685 1 . LYS 117 117 16685 1 . GLN 118 118 16685 1 . ASP 119 119 16685 1 . VAL 120 120 16685 1 . LYS 121 121 16685 1 . LYS 122 122 16685 1 . GLY 123 123 16685 1 . ASP 124 124 16685 1 . LEU 125 125 16685 1 . ILE 126 126 16685 1 . GLU 127 127 16685 1 . THR 128 128 16685 1 . SER 129 129 16685 1 . GLY 130 130 16685 1 . THR 131 131 16685 1 . GLY 132 132 16685 1 . GLY 133 133 16685 1 . VAL 134 134 16685 1 . PHE 135 135 16685 1 . PRO 136 136 16685 1 . GLU 137 137 16685 1 . GLY 138 138 16685 1 . LEU 139 139 16685 1 . THR 140 140 16685 1 . ILE 141 141 16685 1 . GLY 142 142 16685 1 . GLU 143 143 16685 1 . VAL 144 144 16685 1 . THR 145 145 16685 1 . ASP 146 146 16685 1 . ILE 147 147 16685 1 . GLU 148 148 16685 1 . SER 149 149 16685 1 . ASP 150 150 16685 1 . SER 151 151 16685 1 . TYR 152 152 16685 1 . GLY 153 153 16685 1 . LEU 154 154 16685 1 . THR 155 155 16685 1 . LYS 156 156 16685 1 . VAL 157 157 16685 1 . ALA 158 158 16685 1 . TYR 159 159 16685 1 . VAL 160 160 16685 1 . LYS 161 161 16685 1 . PRO 162 162 16685 1 . ALA 163 163 16685 1 . ALA 164 164 16685 1 . ASP 165 165 16685 1 . LEU 166 166 16685 1 . THR 167 167 16685 1 . ASP 168 168 16685 1 . LEU 169 169 16685 1 . ASN 170 170 16685 1 . ASN 171 171 16685 1 . VAL 172 172 16685 1 . ILE 173 173 16685 1 . VAL 174 174 16685 1 . VAL 175 175 16685 1 . ASN 176 176 16685 1 . ARG 177 177 16685 1 . ASP 178 178 16685 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16685 _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 $MreC . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis 168 . . . . . . . . . . . . . . . mrec . . . . 16685 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 16685 _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 $MreC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-2T . . . . . . 16685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16685 _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 'MreC 104-279' '[U-100% 13C; U-100% 15N]' . . 1 $MreC . . 0.54 . . mM . . . . 16685 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16685 1 3 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 16685 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16685 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16685 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16685 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16685 _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' 20 . mM 16685 1 pH 6.5 . pH 16685 1 pressure 1 . atm 16685 1 temperature 308 . K 16685 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16685 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16685 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16685 1 processing 16685 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16685 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16685 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignments' 16685 2 'data analysis' 16685 2 'peak picking' 16685 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16685 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16685 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16685 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16685 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16685 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16685 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 16685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16685 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16685 _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 Varian INOVA . 600 'equipped with a triple resonance cryoprobe' . . 16685 1 2 spectrometer_2 Varian INOVA . 800 . . . 16685 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 16685 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 8 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 9 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 12 '2D 1H-13C-CT-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 1 13 '3D HCCH-COSY_aromatics' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16685 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 16685 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal direct 0.25144954 . . . . . . . . . 16685 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16685 1 N 15 water protons . . . . ppm 4.727517028 internal indirect 0.101329 . . . . . . . . . 16685 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 16685 _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' . . . 16685 1 2 '2D 1H-13C HSQC' . . . 16685 1 3 '3D HNCA' . . . 16685 1 4 '3D HNCACB' . . . 16685 1 5 '3D HN(CO)CA' . . . 16685 1 6 '3D CBCA(CO)NH' . . . 16685 1 7 '3D HCCH-COSY' . . . 16685 1 8 '3D CC(CO)NH' . . . 16685 1 9 '3D H(CC)(CO)NH' . . . 16685 1 10 '3D 1H-15N NOESY' . . . 16685 1 11 '3D 1H-13C NOESY' . . . 16685 1 12 '2D 1H-13C-CT-HSQC' . . . 16685 1 13 '3D HCCH-COSY_aromatics' . . . 16685 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY HA2 H 1 3.868 0.000 . 2 . . . . 104 GLY HA2 . 16685 1 2 . 1 1 3 3 GLY HA3 H 1 3.868 0.000 . 2 . . . . 104 GLY HA3 . 16685 1 3 . 1 1 3 3 GLY CA C 13 43.748 0.000 . 1 . . . . 104 GLY CA . 16685 1 4 . 1 1 4 4 HIS HA H 1 4.637 0.003 . 1 . . . . 105 HIS HA . 16685 1 5 . 1 1 4 4 HIS HB2 H 1 3.089 0.017 . 2 . . . . 105 HIS HB2 . 16685 1 6 . 1 1 4 4 HIS HB3 H 1 3.034 0.010 . 2 . . . . 105 HIS HB3 . 16685 1 7 . 1 1 4 4 HIS HD2 H 1 6.983 0.013 . 1 . . . . 105 HIS HD2 . 16685 1 8 . 1 1 4 4 HIS HE1 H 1 7.890 0.013 . 1 . . . . 105 HIS HE1 . 16685 1 9 . 1 1 4 4 HIS CA C 13 56.303 0.048 . 1 . . . . 105 HIS CA . 16685 1 10 . 1 1 4 4 HIS CB C 13 30.834 0.037 . 1 . . . . 105 HIS CB . 16685 1 11 . 1 1 4 4 HIS CD2 C 13 119.432 0.049 . 1 . . . . 105 HIS CD2 . 16685 1 12 . 1 1 4 4 HIS CE1 C 13 137.946 0.032 . 1 . . . . 105 HIS CE1 . 16685 1 13 . 1 1 5 5 VAL H H 1 8.022 0.001 . 1 . . . . 106 VAL H . 16685 1 14 . 1 1 5 5 VAL HA H 1 4.062 0.003 . 1 . . . . 106 VAL HA . 16685 1 15 . 1 1 5 5 VAL HB H 1 2.000 0.003 . 1 . . . . 106 VAL HB . 16685 1 16 . 1 1 5 5 VAL HG11 H 1 0.881 0.006 . 2 . . . . 106 VAL HG1 . 16685 1 17 . 1 1 5 5 VAL HG12 H 1 0.881 0.006 . 2 . . . . 106 VAL HG1 . 16685 1 18 . 1 1 5 5 VAL HG13 H 1 0.881 0.006 . 2 . . . . 106 VAL HG1 . 16685 1 19 . 1 1 5 5 VAL HG21 H 1 0.861 0.015 . 2 . . . . 106 VAL HG2 . 16685 1 20 . 1 1 5 5 VAL HG22 H 1 0.861 0.015 . 2 . . . . 106 VAL HG2 . 16685 1 21 . 1 1 5 5 VAL HG23 H 1 0.861 0.015 . 2 . . . . 106 VAL HG2 . 16685 1 22 . 1 1 5 5 VAL CA C 13 62.219 0.027 . 1 . . . . 106 VAL CA . 16685 1 23 . 1 1 5 5 VAL CB C 13 32.709 0.023 . 1 . . . . 106 VAL CB . 16685 1 24 . 1 1 5 5 VAL CG1 C 13 21.188 0.047 . 2 . . . . 106 VAL CG1 . 16685 1 25 . 1 1 5 5 VAL CG2 C 13 20.500 0.047 . 2 . . . . 106 VAL CG2 . 16685 1 26 . 1 1 5 5 VAL N N 15 123.416 0.017 . 1 . . . . 106 VAL N . 16685 1 27 . 1 1 6 6 LYS H H 1 8.427 0.003 . 1 . . . . 107 LYS H . 16685 1 28 . 1 1 6 6 LYS HA H 1 4.347 0.007 . 1 . . . . 107 LYS HA . 16685 1 29 . 1 1 6 6 LYS HB2 H 1 1.810 0.014 . 2 . . . . 107 LYS HB2 . 16685 1 30 . 1 1 6 6 LYS HB3 H 1 1.810 0.014 . 2 . . . . 107 LYS HB3 . 16685 1 31 . 1 1 6 6 LYS HD2 H 1 1.652 0.003 . 2 . . . . 107 LYS HD2 . 16685 1 32 . 1 1 6 6 LYS HD3 H 1 1.652 0.003 . 2 . . . . 107 LYS HD3 . 16685 1 33 . 1 1 6 6 LYS HE2 H 1 2.975 0.006 . 2 . . . . 107 LYS HE2 . 16685 1 34 . 1 1 6 6 LYS HE3 H 1 2.975 0.006 . 2 . . . . 107 LYS HE3 . 16685 1 35 . 1 1 6 6 LYS HG2 H 1 1.409 0.022 . 2 . . . . 107 LYS HG2 . 16685 1 36 . 1 1 6 6 LYS HG3 H 1 1.409 0.022 . 2 . . . . 107 LYS HG3 . 16685 1 37 . 1 1 6 6 LYS CA C 13 56.418 0.068 . 1 . . . . 107 LYS CA . 16685 1 38 . 1 1 6 6 LYS CB C 13 33.414 0.089 . 1 . . . . 107 LYS CB . 16685 1 39 . 1 1 6 6 LYS CD C 13 29.009 0.043 . 1 . . . . 107 LYS CD . 16685 1 40 . 1 1 6 6 LYS CE C 13 42.092 0.027 . 1 . . . . 107 LYS CE . 16685 1 41 . 1 1 6 6 LYS CG C 13 24.828 0.031 . 1 . . . . 107 LYS CG . 16685 1 42 . 1 1 6 6 LYS N N 15 126.896 0.012 . 1 . . . . 107 LYS N . 16685 1 43 . 1 1 7 7 SER H H 1 8.495 0.002 . 1 . . . . 108 SER H . 16685 1 44 . 1 1 7 7 SER HA H 1 4.598 0.008 . 1 . . . . 108 SER HA . 16685 1 45 . 1 1 7 7 SER HB2 H 1 3.957 0.011 . 2 . . . . 108 SER HB2 . 16685 1 46 . 1 1 7 7 SER HB3 H 1 3.846 0.009 . 2 . . . . 108 SER HB3 . 16685 1 47 . 1 1 7 7 SER CA C 13 57.738 0.035 . 1 . . . . 108 SER CA . 16685 1 48 . 1 1 7 7 SER CB C 13 64.663 0.018 . 1 . . . . 108 SER CB . 16685 1 49 . 1 1 7 7 SER N N 15 118.453 0.015 . 1 . . . . 108 SER N . 16685 1 50 . 1 1 8 8 ILE H H 1 8.321 0.003 . 1 . . . . 109 ILE H . 16685 1 51 . 1 1 8 8 ILE HA H 1 4.124 0.005 . 1 . . . . 109 ILE HA . 16685 1 52 . 1 1 8 8 ILE HB H 1 1.868 0.005 . 1 . . . . 109 ILE HB . 16685 1 53 . 1 1 8 8 ILE HD11 H 1 0.815 0.002 . 1 . . . . 109 ILE HD1 . 16685 1 54 . 1 1 8 8 ILE HD12 H 1 0.815 0.002 . 1 . . . . 109 ILE HD1 . 16685 1 55 . 1 1 8 8 ILE HD13 H 1 0.815 0.002 . 1 . . . . 109 ILE HD1 . 16685 1 56 . 1 1 8 8 ILE HG12 H 1 1.417 0.004 . 2 . . . . 109 ILE HG12 . 16685 1 57 . 1 1 8 8 ILE HG13 H 1 1.191 0.007 . 2 . . . . 109 ILE HG13 . 16685 1 58 . 1 1 8 8 ILE HG21 H 1 0.892 0.006 . 1 . . . . 109 ILE HG2 . 16685 1 59 . 1 1 8 8 ILE HG22 H 1 0.892 0.006 . 1 . . . . 109 ILE HG2 . 16685 1 60 . 1 1 8 8 ILE HG23 H 1 0.892 0.006 . 1 . . . . 109 ILE HG2 . 16685 1 61 . 1 1 8 8 ILE CA C 13 62.032 0.056 . 1 . . . . 109 ILE CA . 16685 1 62 . 1 1 8 8 ILE CB C 13 38.675 0.057 . 1 . . . . 109 ILE CB . 16685 1 63 . 1 1 8 8 ILE CD1 C 13 13.567 0.048 . 1 . . . . 109 ILE CD1 . 16685 1 64 . 1 1 8 8 ILE CG1 C 13 27.724 0.039 . 1 . . . . 109 ILE CG1 . 16685 1 65 . 1 1 8 8 ILE CG2 C 13 17.721 0.043 . 1 . . . . 109 ILE CG2 . 16685 1 66 . 1 1 8 8 ILE N N 15 122.897 0.014 . 1 . . . . 109 ILE N . 16685 1 67 . 1 1 9 9 LYS H H 1 8.020 0.003 . 1 . . . . 110 LYS H . 16685 1 68 . 1 1 9 9 LYS HA H 1 4.239 0.005 . 1 . . . . 110 LYS HA . 16685 1 69 . 1 1 9 9 LYS HB2 H 1 1.732 0.014 . 2 . . . . 110 LYS HB2 . 16685 1 70 . 1 1 9 9 LYS HB3 H 1 1.732 0.014 . 2 . . . . 110 LYS HB3 . 16685 1 71 . 1 1 9 9 LYS HD2 H 1 1.631 0.028 . 2 . . . . 110 LYS HD2 . 16685 1 72 . 1 1 9 9 LYS HD3 H 1 1.631 0.028 . 2 . . . . 110 LYS HD3 . 16685 1 73 . 1 1 9 9 LYS HE2 H 1 2.982 0.001 . 2 . . . . 110 LYS HE2 . 16685 1 74 . 1 1 9 9 LYS HE3 H 1 2.982 0.001 . 2 . . . . 110 LYS HE3 . 16685 1 75 . 1 1 9 9 LYS HG2 H 1 1.381 0.010 . 2 . . . . 110 LYS HG2 . 16685 1 76 . 1 1 9 9 LYS HG3 H 1 1.381 0.010 . 2 . . . . 110 LYS HG3 . 16685 1 77 . 1 1 9 9 LYS CA C 13 56.996 0.059 . 1 . . . . 110 LYS CA . 16685 1 78 . 1 1 9 9 LYS CB C 13 32.633 0.055 . 1 . . . . 110 LYS CB . 16685 1 79 . 1 1 9 9 LYS CD C 13 28.955 0.013 . 1 . . . . 110 LYS CD . 16685 1 80 . 1 1 9 9 LYS CE C 13 42.047 0.002 . 1 . . . . 110 LYS CE . 16685 1 81 . 1 1 9 9 LYS CG C 13 24.534 0.037 . 1 . . . . 110 LYS CG . 16685 1 82 . 1 1 9 9 LYS N N 15 123.185 0.034 . 1 . . . . 110 LYS N . 16685 1 83 . 1 1 10 10 ASP H H 1 8.042 0.002 . 1 . . . . 111 ASP H . 16685 1 84 . 1 1 10 10 ASP HA H 1 4.590 0.007 . 1 . . . . 111 ASP HA . 16685 1 85 . 1 1 10 10 ASP HB2 H 1 2.668 0.004 . 2 . . . . 111 ASP HB2 . 16685 1 86 . 1 1 10 10 ASP HB3 H 1 2.570 0.004 . 2 . . . . 111 ASP HB3 . 16685 1 87 . 1 1 10 10 ASP CA C 13 54.800 0.072 . 1 . . . . 111 ASP CA . 16685 1 88 . 1 1 10 10 ASP CB C 13 41.270 0.080 . 1 . . . . 111 ASP CB . 16685 1 89 . 1 1 10 10 ASP N N 15 120.579 0.021 . 1 . . . . 111 ASP N . 16685 1 90 . 1 1 11 11 TYR H H 1 7.652 0.004 . 1 . . . . 112 TYR H . 16685 1 91 . 1 1 11 11 TYR HA H 1 4.761 0.003 . 1 . . . . 112 TYR HA . 16685 1 92 . 1 1 11 11 TYR HB2 H 1 3.008 0.008 . 2 . . . . 112 TYR HB2 . 16685 1 93 . 1 1 11 11 TYR HB3 H 1 2.755 0.003 . 2 . . . . 112 TYR HB3 . 16685 1 94 . 1 1 11 11 TYR HD1 H 1 7.009 0.014 . 3 . . . . 112 TYR HD1 . 16685 1 95 . 1 1 11 11 TYR HD2 H 1 7.009 0.014 . 3 . . . . 112 TYR HD2 . 16685 1 96 . 1 1 11 11 TYR HE1 H 1 6.737 0.015 . 3 . . . . 112 TYR HE1 . 16685 1 97 . 1 1 11 11 TYR HE2 H 1 6.737 0.015 . 3 . . . . 112 TYR HE2 . 16685 1 98 . 1 1 11 11 TYR CA C 13 56.846 0.050 . 1 . . . . 112 TYR CA . 16685 1 99 . 1 1 11 11 TYR CB C 13 39.463 0.044 . 1 . . . . 112 TYR CB . 16685 1 100 . 1 1 11 11 TYR CD1 C 13 133.001 0.043 . 3 . . . . 112 TYR CD1 . 16685 1 101 . 1 1 11 11 TYR CE1 C 13 117.705 0.020 . 3 . . . . 112 TYR CE1 . 16685 1 102 . 1 1 11 11 TYR N N 15 119.959 0.010 . 1 . . . . 112 TYR N . 16685 1 103 . 1 1 12 12 LYS H H 1 8.664 0.003 . 1 . . . . 113 LYS H . 16685 1 104 . 1 1 12 12 LYS HA H 1 4.712 0.010 . 1 . . . . 113 LYS HA . 16685 1 105 . 1 1 12 12 LYS HB2 H 1 1.752 0.002 . 2 . . . . 113 LYS HB2 . 16685 1 106 . 1 1 12 12 LYS HB3 H 1 1.752 0.002 . 2 . . . . 113 LYS HB3 . 16685 1 107 . 1 1 12 12 LYS CA C 13 53.620 0.087 . 1 . . . . 113 LYS CA . 16685 1 108 . 1 1 12 12 LYS CB C 13 33.014 0.033 . 1 . . . . 113 LYS CB . 16685 1 109 . 1 1 12 12 LYS N N 15 123.501 0.047 . 1 . . . . 113 LYS N . 16685 1 110 . 1 1 13 13 PRO HA H 1 4.679 0.002 . 1 . . . . 114 PRO HA . 16685 1 111 . 1 1 13 13 PRO HB2 H 1 2.094 0.010 . 2 . . . . 114 PRO HB2 . 16685 1 112 . 1 1 13 13 PRO HB3 H 1 1.767 0.012 . 2 . . . . 114 PRO HB3 . 16685 1 113 . 1 1 13 13 PRO HD2 H 1 3.718 0.006 . 2 . . . . 114 PRO HD2 . 16685 1 114 . 1 1 13 13 PRO HD3 H 1 3.631 0.005 . 2 . . . . 114 PRO HD3 . 16685 1 115 . 1 1 13 13 PRO HG2 H 1 2.101 0.020 . 2 . . . . 114 PRO HG2 . 16685 1 116 . 1 1 13 13 PRO HG3 H 1 1.952 0.005 . 2 . . . . 114 PRO HG3 . 16685 1 117 . 1 1 13 13 PRO CA C 13 62.470 0.029 . 1 . . . . 114 PRO CA . 16685 1 118 . 1 1 13 13 PRO CB C 13 33.221 0.031 . 1 . . . . 114 PRO CB . 16685 1 119 . 1 1 13 13 PRO CD C 13 50.535 0.023 . 1 . . . . 114 PRO CD . 16685 1 120 . 1 1 13 13 PRO CG C 13 26.921 0.017 . 1 . . . . 114 PRO CG . 16685 1 121 . 1 1 14 14 ILE H H 1 8.857 0.003 . 1 . . . . 115 ILE H . 16685 1 122 . 1 1 14 14 ILE HA H 1 4.211 0.008 . 1 . . . . 115 ILE HA . 16685 1 123 . 1 1 14 14 ILE HB H 1 1.875 0.004 . 1 . . . . 115 ILE HB . 16685 1 124 . 1 1 14 14 ILE HD11 H 1 0.781 0.006 . 1 . . . . 115 ILE HD1 . 16685 1 125 . 1 1 14 14 ILE HD12 H 1 0.781 0.006 . 1 . . . . 115 ILE HD1 . 16685 1 126 . 1 1 14 14 ILE HD13 H 1 0.781 0.006 . 1 . . . . 115 ILE HD1 . 16685 1 127 . 1 1 14 14 ILE HG12 H 1 1.642 0.013 . 2 . . . . 115 ILE HG12 . 16685 1 128 . 1 1 14 14 ILE HG13 H 1 1.048 0.025 . 2 . . . . 115 ILE HG13 . 16685 1 129 . 1 1 14 14 ILE HG21 H 1 0.753 0.010 . 1 . . . . 115 ILE HG2 . 16685 1 130 . 1 1 14 14 ILE HG22 H 1 0.753 0.010 . 1 . . . . 115 ILE HG2 . 16685 1 131 . 1 1 14 14 ILE HG23 H 1 0.753 0.010 . 1 . . . . 115 ILE HG2 . 16685 1 132 . 1 1 14 14 ILE CA C 13 61.038 0.015 . 1 . . . . 115 ILE CA . 16685 1 133 . 1 1 14 14 ILE CB C 13 39.999 0.054 . 1 . . . . 115 ILE CB . 16685 1 134 . 1 1 14 14 ILE CD1 C 13 14.472 0.052 . 1 . . . . 115 ILE CD1 . 16685 1 135 . 1 1 14 14 ILE CG1 C 13 26.654 0.013 . 1 . . . . 115 ILE CG1 . 16685 1 136 . 1 1 14 14 ILE CG2 C 13 16.640 0.019 . 1 . . . . 115 ILE CG2 . 16685 1 137 . 1 1 14 14 ILE N N 15 125.383 0.029 . 1 . . . . 115 ILE N . 16685 1 138 . 1 1 15 15 LEU H H 1 8.383 0.003 . 1 . . . . 116 LEU H . 16685 1 139 . 1 1 15 15 LEU HA H 1 4.646 0.005 . 1 . . . . 116 LEU HA . 16685 1 140 . 1 1 15 15 LEU HB2 H 1 1.675 0.004 . 2 . . . . 116 LEU HB2 . 16685 1 141 . 1 1 15 15 LEU HB3 H 1 1.585 0.004 . 2 . . . . 116 LEU HB3 . 16685 1 142 . 1 1 15 15 LEU HD11 H 1 0.890 0.013 . 2 . . . . 116 LEU HD1 . 16685 1 143 . 1 1 15 15 LEU HD12 H 1 0.890 0.013 . 2 . . . . 116 LEU HD1 . 16685 1 144 . 1 1 15 15 LEU HD13 H 1 0.890 0.013 . 2 . . . . 116 LEU HD1 . 16685 1 145 . 1 1 15 15 LEU HD21 H 1 0.845 0.003 . 2 . . . . 116 LEU HD2 . 16685 1 146 . 1 1 15 15 LEU HD22 H 1 0.845 0.003 . 2 . . . . 116 LEU HD2 . 16685 1 147 . 1 1 15 15 LEU HD23 H 1 0.845 0.003 . 2 . . . . 116 LEU HD2 . 16685 1 148 . 1 1 15 15 LEU HG H 1 1.685 0.007 . 1 . . . . 116 LEU HG . 16685 1 149 . 1 1 15 15 LEU CA C 13 55.621 0.063 . 1 . . . . 116 LEU CA . 16685 1 150 . 1 1 15 15 LEU CB C 13 41.499 0.046 . 1 . . . . 116 LEU CB . 16685 1 151 . 1 1 15 15 LEU CD1 C 13 24.458 0.109 . 2 . . . . 116 LEU CD1 . 16685 1 152 . 1 1 15 15 LEU CD2 C 13 24.409 0.008 . 2 . . . . 116 LEU CD2 . 16685 1 153 . 1 1 15 15 LEU CG C 13 27.813 0.029 . 1 . . . . 116 LEU CG . 16685 1 154 . 1 1 15 15 LEU N N 15 129.905 0.014 . 1 . . . . 116 LEU N . 16685 1 155 . 1 1 16 16 ALA H H 1 8.767 0.003 . 1 . . . . 117 ALA H . 16685 1 156 . 1 1 16 16 ALA HA H 1 4.832 0.007 . 1 . . . . 117 ALA HA . 16685 1 157 . 1 1 16 16 ALA HB1 H 1 1.205 0.003 . 1 . . . . 117 ALA HB . 16685 1 158 . 1 1 16 16 ALA HB2 H 1 1.205 0.003 . 1 . . . . 117 ALA HB . 16685 1 159 . 1 1 16 16 ALA HB3 H 1 1.205 0.003 . 1 . . . . 117 ALA HB . 16685 1 160 . 1 1 16 16 ALA CA C 13 50.607 0.133 . 1 . . . . 117 ALA CA . 16685 1 161 . 1 1 16 16 ALA CB C 13 24.621 0.058 . 1 . . . . 117 ALA CB . 16685 1 162 . 1 1 16 16 ALA N N 15 126.683 0.019 . 1 . . . . 117 ALA N . 16685 1 163 . 1 1 17 17 THR H H 1 8.394 0.002 . 1 . . . . 118 THR H . 16685 1 164 . 1 1 17 17 THR HA H 1 5.093 0.008 . 1 . . . . 118 THR HA . 16685 1 165 . 1 1 17 17 THR HB H 1 3.627 0.004 . 1 . . . . 118 THR HB . 16685 1 166 . 1 1 17 17 THR HG21 H 1 1.205 0.003 . 1 . . . . 118 THR HG2 . 16685 1 167 . 1 1 17 17 THR HG22 H 1 1.205 0.003 . 1 . . . . 118 THR HG2 . 16685 1 168 . 1 1 17 17 THR HG23 H 1 1.205 0.003 . 1 . . . . 118 THR HG2 . 16685 1 169 . 1 1 17 17 THR CA C 13 60.985 0.023 . 1 . . . . 118 THR CA . 16685 1 170 . 1 1 17 17 THR CB C 13 72.077 0.071 . 1 . . . . 118 THR CB . 16685 1 171 . 1 1 17 17 THR CG2 C 13 21.932 0.003 . 1 . . . . 118 THR CG2 . 16685 1 172 . 1 1 17 17 THR N N 15 116.993 0.017 . 1 . . . . 118 THR N . 16685 1 173 . 1 1 18 18 VAL H H 1 8.646 0.002 . 1 . . . . 119 VAL H . 16685 1 174 . 1 1 18 18 VAL HA H 1 4.111 0.006 . 1 . . . . 119 VAL HA . 16685 1 175 . 1 1 18 18 VAL HB H 1 2.039 0.006 . 1 . . . . 119 VAL HB . 16685 1 176 . 1 1 18 18 VAL HG11 H 1 0.719 0.004 . 2 . . . . 119 VAL HG1 . 16685 1 177 . 1 1 18 18 VAL HG12 H 1 0.719 0.004 . 2 . . . . 119 VAL HG1 . 16685 1 178 . 1 1 18 18 VAL HG13 H 1 0.719 0.004 . 2 . . . . 119 VAL HG1 . 16685 1 179 . 1 1 18 18 VAL HG21 H 1 0.879 0.005 . 2 . . . . 119 VAL HG2 . 16685 1 180 . 1 1 18 18 VAL HG22 H 1 0.879 0.005 . 2 . . . . 119 VAL HG2 . 16685 1 181 . 1 1 18 18 VAL HG23 H 1 0.879 0.005 . 2 . . . . 119 VAL HG2 . 16685 1 182 . 1 1 18 18 VAL CA C 13 63.768 0.061 . 1 . . . . 119 VAL CA . 16685 1 183 . 1 1 18 18 VAL CB C 13 32.008 0.068 . 1 . . . . 119 VAL CB . 16685 1 184 . 1 1 18 18 VAL CG1 C 13 22.190 0.021 . 2 . . . . 119 VAL CG1 . 16685 1 185 . 1 1 18 18 VAL CG2 C 13 21.279 0.021 . 2 . . . . 119 VAL CG2 . 16685 1 186 . 1 1 18 18 VAL N N 15 126.210 0.022 . 1 . . . . 119 VAL N . 16685 1 187 . 1 1 19 19 ILE H H 1 8.810 0.007 . 1 . . . . 120 ILE H . 16685 1 188 . 1 1 19 19 ILE HA H 1 4.570 0.009 . 1 . . . . 120 ILE HA . 16685 1 189 . 1 1 19 19 ILE HB H 1 2.055 0.007 . 1 . . . . 120 ILE HB . 16685 1 190 . 1 1 19 19 ILE HD11 H 1 0.819 0.008 . 1 . . . . 120 ILE HD1 . 16685 1 191 . 1 1 19 19 ILE HD12 H 1 0.819 0.008 . 1 . . . . 120 ILE HD1 . 16685 1 192 . 1 1 19 19 ILE HD13 H 1 0.819 0.008 . 1 . . . . 120 ILE HD1 . 16685 1 193 . 1 1 19 19 ILE HG12 H 1 1.140 0.007 . 2 . . . . 120 ILE HG12 . 16685 1 194 . 1 1 19 19 ILE HG13 H 1 0.800 0.038 . 2 . . . . 120 ILE HG13 . 16685 1 195 . 1 1 19 19 ILE HG21 H 1 0.922 0.006 . 1 . . . . 120 ILE HG2 . 16685 1 196 . 1 1 19 19 ILE HG22 H 1 0.922 0.006 . 1 . . . . 120 ILE HG2 . 16685 1 197 . 1 1 19 19 ILE HG23 H 1 0.922 0.006 . 1 . . . . 120 ILE HG2 . 16685 1 198 . 1 1 19 19 ILE CA C 13 60.743 0.041 . 1 . . . . 120 ILE CA . 16685 1 199 . 1 1 19 19 ILE CB C 13 40.034 0.070 . 1 . . . . 120 ILE CB . 16685 1 200 . 1 1 19 19 ILE CD1 C 13 14.001 0.031 . 1 . . . . 120 ILE CD1 . 16685 1 201 . 1 1 19 19 ILE CG1 C 13 26.474 0.054 . 1 . . . . 120 ILE CG1 . 16685 1 202 . 1 1 19 19 ILE CG2 C 13 18.880 0.014 . 1 . . . . 120 ILE CG2 . 16685 1 203 . 1 1 19 19 ILE N N 15 122.451 0.022 . 1 . . . . 120 ILE N . 16685 1 204 . 1 1 20 20 ALA H H 1 7.631 0.002 . 1 . . . . 121 ALA H . 16685 1 205 . 1 1 20 20 ALA HA H 1 4.549 0.005 . 1 . . . . 121 ALA HA . 16685 1 206 . 1 1 20 20 ALA HB1 H 1 1.386 0.006 . 1 . . . . 121 ALA HB . 16685 1 207 . 1 1 20 20 ALA HB2 H 1 1.386 0.006 . 1 . . . . 121 ALA HB . 16685 1 208 . 1 1 20 20 ALA HB3 H 1 1.386 0.006 . 1 . . . . 121 ALA HB . 16685 1 209 . 1 1 20 20 ALA CA C 13 53.143 0.076 . 1 . . . . 121 ALA CA . 16685 1 210 . 1 1 20 20 ALA CB C 13 21.446 0.075 . 1 . . . . 121 ALA CB . 16685 1 211 . 1 1 20 20 ALA N N 15 124.028 0.023 . 1 . . . . 121 ALA N . 16685 1 212 . 1 1 21 21 ARG H H 1 8.305 0.003 . 1 . . . . 122 ARG H . 16685 1 213 . 1 1 21 21 ARG HA H 1 4.556 0.003 . 1 . . . . 122 ARG HA . 16685 1 214 . 1 1 21 21 ARG HB2 H 1 1.527 0.002 . 2 . . . . 122 ARG HB2 . 16685 1 215 . 1 1 21 21 ARG HB3 H 1 1.527 0.002 . 2 . . . . 122 ARG HB3 . 16685 1 216 . 1 1 21 21 ARG CA C 13 56.125 0.061 . 1 . . . . 122 ARG CA . 16685 1 217 . 1 1 21 21 ARG CB C 13 32.050 0.045 . 1 . . . . 122 ARG CB . 16685 1 218 . 1 1 21 21 ARG CD C 13 43.500 0.000 . 1 . . . . 122 ARG CD . 16685 1 219 . 1 1 21 21 ARG N N 15 122.894 0.023 . 1 . . . . 122 ARG N . 16685 1 220 . 1 1 22 22 SER H H 1 8.717 0.002 . 1 . . . . 123 SER H . 16685 1 221 . 1 1 22 22 SER HA H 1 4.934 0.003 . 1 . . . . 123 SER HA . 16685 1 222 . 1 1 22 22 SER HB2 H 1 4.037 0.008 . 2 . . . . 123 SER HB2 . 16685 1 223 . 1 1 22 22 SER HB3 H 1 3.999 0.004 . 2 . . . . 123 SER HB3 . 16685 1 224 . 1 1 22 22 SER CA C 13 56.409 0.043 . 1 . . . . 123 SER CA . 16685 1 225 . 1 1 22 22 SER CB C 13 63.729 0.029 . 1 . . . . 123 SER CB . 16685 1 226 . 1 1 22 22 SER N N 15 123.091 0.023 . 1 . . . . 123 SER N . 16685 1 227 . 1 1 23 23 PRO HA H 1 4.470 0.004 . 1 . . . . 124 PRO HA . 16685 1 228 . 1 1 23 23 PRO HB2 H 1 2.347 0.007 . 2 . . . . 124 PRO HB2 . 16685 1 229 . 1 1 23 23 PRO HB3 H 1 2.030 0.010 . 2 . . . . 124 PRO HB3 . 16685 1 230 . 1 1 23 23 PRO HD2 H 1 4.025 0.008 . 2 . . . . 124 PRO HD2 . 16685 1 231 . 1 1 23 23 PRO HD3 H 1 3.896 0.011 . 2 . . . . 124 PRO HD3 . 16685 1 232 . 1 1 23 23 PRO HG2 H 1 2.088 0.005 . 2 . . . . 124 PRO HG2 . 16685 1 233 . 1 1 23 23 PRO HG3 H 1 2.088 0.005 . 2 . . . . 124 PRO HG3 . 16685 1 234 . 1 1 23 23 PRO CA C 13 65.004 0.041 . 1 . . . . 124 PRO CA . 16685 1 235 . 1 1 23 23 PRO CB C 13 31.968 0.046 . 1 . . . . 124 PRO CB . 16685 1 236 . 1 1 23 23 PRO CD C 13 50.876 0.032 . 1 . . . . 124 PRO CD . 16685 1 237 . 1 1 23 23 PRO CG C 13 27.497 0.006 . 1 . . . . 124 PRO CG . 16685 1 238 . 1 1 24 24 ASP H H 1 8.286 0.003 . 1 . . . . 125 ASP H . 16685 1 239 . 1 1 24 24 ASP HA H 1 4.482 0.004 . 1 . . . . 125 ASP HA . 16685 1 240 . 1 1 24 24 ASP HB2 H 1 2.666 0.004 . 2 . . . . 125 ASP HB2 . 16685 1 241 . 1 1 24 24 ASP HB3 H 1 2.568 0.004 . 2 . . . . 125 ASP HB3 . 16685 1 242 . 1 1 24 24 ASP CA C 13 55.528 0.038 . 1 . . . . 125 ASP CA . 16685 1 243 . 1 1 24 24 ASP CB C 13 40.722 0.089 . 1 . . . . 125 ASP CB . 16685 1 244 . 1 1 24 24 ASP N N 15 117.035 0.018 . 1 . . . . 125 ASP N . 16685 1 245 . 1 1 25 25 ASN HA H 1 4.860 0.006 . 1 . . . . 126 ASN HA . 16685 1 246 . 1 1 25 25 ASN HB2 H 1 2.820 0.004 . 2 . . . . 126 ASN HB2 . 16685 1 247 . 1 1 25 25 ASN HB3 H 1 2.820 0.004 . 2 . . . . 126 ASN HB3 . 16685 1 248 . 1 1 25 25 ASN HD21 H 1 7.726 0.000 . 2 . . . . 126 ASN HD21 . 16685 1 249 . 1 1 25 25 ASN HD22 H 1 6.861 0.000 . 2 . . . . 126 ASN HD22 . 16685 1 250 . 1 1 25 25 ASN CA C 13 52.796 0.075 . 1 . . . . 126 ASN CA . 16685 1 251 . 1 1 25 25 ASN CB C 13 38.509 0.058 . 1 . . . . 126 ASN CB . 16685 1 252 . 1 1 25 25 ASN ND2 N 15 114.713 0.000 . 1 . . . . 126 ASN ND2 . 16685 1 253 . 1 1 26 26 TRP H H 1 7.573 0.004 . 1 . . . . 127 TRP H . 16685 1 254 . 1 1 26 26 TRP HA H 1 4.251 0.007 . 1 . . . . 127 TRP HA . 16685 1 255 . 1 1 26 26 TRP HB2 H 1 3.528 0.007 . 2 . . . . 127 TRP HB2 . 16685 1 256 . 1 1 26 26 TRP HB3 H 1 3.280 0.003 . 2 . . . . 127 TRP HB3 . 16685 1 257 . 1 1 26 26 TRP HD1 H 1 7.184 0.014 . 1 . . . . 127 TRP HD1 . 16685 1 258 . 1 1 26 26 TRP HE1 H 1 10.143 0.000 . 1 . . . . 127 TRP HE1 . 16685 1 259 . 1 1 26 26 TRP HE3 H 1 7.417 0.016 . 1 . . . . 127 TRP HE3 . 16685 1 260 . 1 1 26 26 TRP HH2 H 1 7.271 0.016 . 1 . . . . 127 TRP HH2 . 16685 1 261 . 1 1 26 26 TRP HZ2 H 1 7.584 0.015 . 1 . . . . 127 TRP HZ2 . 16685 1 262 . 1 1 26 26 TRP HZ3 H 1 7.114 0.017 . 1 . . . . 127 TRP HZ3 . 16685 1 263 . 1 1 26 26 TRP CA C 13 60.545 0.059 . 1 . . . . 127 TRP CA . 16685 1 264 . 1 1 26 26 TRP CB C 13 30.338 0.064 . 1 . . . . 127 TRP CB . 16685 1 265 . 1 1 26 26 TRP CD1 C 13 126.956 0.032 . 1 . . . . 127 TRP CD1 . 16685 1 266 . 1 1 26 26 TRP CE3 C 13 120.157 0.038 . 1 . . . . 127 TRP CE3 . 16685 1 267 . 1 1 26 26 TRP CH2 C 13 124.272 0.043 . 1 . . . . 127 TRP CH2 . 16685 1 268 . 1 1 26 26 TRP CZ2 C 13 114.430 0.022 . 1 . . . . 127 TRP CZ2 . 16685 1 269 . 1 1 26 26 TRP CZ3 C 13 121.685 0.026 . 1 . . . . 127 TRP CZ3 . 16685 1 270 . 1 1 26 26 TRP N N 15 123.680 0.023 . 1 . . . . 127 TRP N . 16685 1 271 . 1 1 26 26 TRP NE1 N 15 130.923 0.000 . 1 . . . . 127 TRP NE1 . 16685 1 272 . 1 1 27 27 ALA H H 1 8.334 0.004 . 1 . . . . 128 ALA H . 16685 1 273 . 1 1 27 27 ALA HA H 1 4.196 0.010 . 1 . . . . 128 ALA HA . 16685 1 274 . 1 1 27 27 ALA HB1 H 1 1.292 0.015 . 1 . . . . 128 ALA HB . 16685 1 275 . 1 1 27 27 ALA HB2 H 1 1.292 0.015 . 1 . . . . 128 ALA HB . 16685 1 276 . 1 1 27 27 ALA HB3 H 1 1.292 0.015 . 1 . . . . 128 ALA HB . 16685 1 277 . 1 1 27 27 ALA CA C 13 52.283 0.072 . 1 . . . . 128 ALA CA . 16685 1 278 . 1 1 27 27 ALA CB C 13 19.115 0.060 . 1 . . . . 128 ALA CB . 16685 1 279 . 1 1 27 27 ALA N N 15 119.315 0.033 . 1 . . . . 128 ALA N . 16685 1 280 . 1 1 28 28 LYS H H 1 8.014 0.002 . 1 . . . . 129 LYS H . 16685 1 281 . 1 1 28 28 LYS HA H 1 4.258 0.010 . 1 . . . . 129 LYS HA . 16685 1 282 . 1 1 28 28 LYS HB2 H 1 1.839 0.019 . 2 . . . . 129 LYS HB2 . 16685 1 283 . 1 1 28 28 LYS HB3 H 1 1.684 0.019 . 2 . . . . 129 LYS HB3 . 16685 1 284 . 1 1 28 28 LYS HD2 H 1 1.689 0.007 . 2 . . . . 129 LYS HD2 . 16685 1 285 . 1 1 28 28 LYS HD3 H 1 1.689 0.007 . 2 . . . . 129 LYS HD3 . 16685 1 286 . 1 1 28 28 LYS HE2 H 1 3.021 0.003 . 2 . . . . 129 LYS HE2 . 16685 1 287 . 1 1 28 28 LYS HE3 H 1 3.021 0.003 . 2 . . . . 129 LYS HE3 . 16685 1 288 . 1 1 28 28 LYS HG2 H 1 1.308 0.018 . 2 . . . . 129 LYS HG2 . 16685 1 289 . 1 1 28 28 LYS HG3 H 1 1.308 0.018 . 2 . . . . 129 LYS HG3 . 16685 1 290 . 1 1 28 28 LYS CA C 13 57.633 0.046 . 1 . . . . 129 LYS CA . 16685 1 291 . 1 1 28 28 LYS CB C 13 34.613 0.082 . 1 . . . . 129 LYS CB . 16685 1 292 . 1 1 28 28 LYS CD C 13 29.415 0.038 . 1 . . . . 129 LYS CD . 16685 1 293 . 1 1 28 28 LYS CE C 13 42.001 0.011 . 1 . . . . 129 LYS CE . 16685 1 294 . 1 1 28 28 LYS CG C 13 24.970 0.056 . 1 . . . . 129 LYS CG . 16685 1 295 . 1 1 28 28 LYS N N 15 117.727 0.027 . 1 . . . . 129 LYS N . 16685 1 296 . 1 1 29 29 GLN H H 1 7.835 0.002 . 1 . . . . 130 GLN H . 16685 1 297 . 1 1 29 29 GLN HA H 1 5.717 0.009 . 1 . . . . 130 GLN HA . 16685 1 298 . 1 1 29 29 GLN HB2 H 1 2.058 0.004 . 2 . . . . 130 GLN HB2 . 16685 1 299 . 1 1 29 29 GLN HB3 H 1 1.962 0.003 . 2 . . . . 130 GLN HB3 . 16685 1 300 . 1 1 29 29 GLN CA C 13 54.754 0.072 . 1 . . . . 130 GLN CA . 16685 1 301 . 1 1 29 29 GLN CB C 13 33.555 0.049 . 1 . . . . 130 GLN CB . 16685 1 302 . 1 1 29 29 GLN CG C 13 35.555 0.000 . 1 . . . . 130 GLN CG . 16685 1 303 . 1 1 29 29 GLN N N 15 118.953 0.021 . 1 . . . . 130 GLN N . 16685 1 304 . 1 1 30 30 VAL H H 1 7.797 0.002 . 1 . . . . 131 VAL H . 16685 1 305 . 1 1 30 30 VAL HA H 1 4.825 0.002 . 1 . . . . 131 VAL HA . 16685 1 306 . 1 1 30 30 VAL HB H 1 2.311 0.007 . 1 . . . . 131 VAL HB . 16685 1 307 . 1 1 30 30 VAL HG11 H 1 0.814 0.005 . 2 . . . . 131 VAL HG1 . 16685 1 308 . 1 1 30 30 VAL HG12 H 1 0.814 0.005 . 2 . . . . 131 VAL HG1 . 16685 1 309 . 1 1 30 30 VAL HG13 H 1 0.814 0.005 . 2 . . . . 131 VAL HG1 . 16685 1 310 . 1 1 30 30 VAL HG21 H 1 0.596 0.009 . 2 . . . . 131 VAL HG2 . 16685 1 311 . 1 1 30 30 VAL HG22 H 1 0.596 0.009 . 2 . . . . 131 VAL HG2 . 16685 1 312 . 1 1 30 30 VAL HG23 H 1 0.596 0.009 . 2 . . . . 131 VAL HG2 . 16685 1 313 . 1 1 30 30 VAL CA C 13 59.503 0.034 . 1 . . . . 131 VAL CA . 16685 1 314 . 1 1 30 30 VAL CB C 13 34.878 0.065 . 1 . . . . 131 VAL CB . 16685 1 315 . 1 1 30 30 VAL CG1 C 13 22.256 0.020 . 2 . . . . 131 VAL CG1 . 16685 1 316 . 1 1 30 30 VAL CG2 C 13 18.197 0.013 . 2 . . . . 131 VAL CG2 . 16685 1 317 . 1 1 30 30 VAL N N 15 112.775 0.018 . 1 . . . . 131 VAL N . 16685 1 318 . 1 1 31 31 THR H H 1 8.684 0.002 . 1 . . . . 132 THR H . 16685 1 319 . 1 1 31 31 THR HA H 1 5.307 0.006 . 1 . . . . 132 THR HA . 16685 1 320 . 1 1 31 31 THR HB H 1 3.942 0.003 . 1 . . . . 132 THR HB . 16685 1 321 . 1 1 31 31 THR HG21 H 1 1.292 0.005 . 1 . . . . 132 THR HG2 . 16685 1 322 . 1 1 31 31 THR HG22 H 1 1.292 0.005 . 1 . . . . 132 THR HG2 . 16685 1 323 . 1 1 31 31 THR HG23 H 1 1.292 0.005 . 1 . . . . 132 THR HG2 . 16685 1 324 . 1 1 31 31 THR CA C 13 62.032 0.047 . 1 . . . . 132 THR CA . 16685 1 325 . 1 1 31 31 THR CB C 13 70.257 0.046 . 1 . . . . 132 THR CB . 16685 1 326 . 1 1 31 31 THR CG2 C 13 21.221 0.089 . 1 . . . . 132 THR CG2 . 16685 1 327 . 1 1 31 31 THR N N 15 120.249 0.016 . 1 . . . . 132 THR N . 16685 1 328 . 1 1 32 32 ILE H H 1 9.414 0.005 . 1 . . . . 133 ILE H . 16685 1 329 . 1 1 32 32 ILE HA H 1 5.489 0.003 . 1 . . . . 133 ILE HA . 16685 1 330 . 1 1 32 32 ILE HB H 1 1.653 0.005 . 1 . . . . 133 ILE HB . 16685 1 331 . 1 1 32 32 ILE HD11 H 1 0.428 0.003 . 1 . . . . 133 ILE HD1 . 16685 1 332 . 1 1 32 32 ILE HD12 H 1 0.428 0.003 . 1 . . . . 133 ILE HD1 . 16685 1 333 . 1 1 32 32 ILE HD13 H 1 0.428 0.003 . 1 . . . . 133 ILE HD1 . 16685 1 334 . 1 1 32 32 ILE HG12 H 1 1.479 0.007 . 2 . . . . 133 ILE HG12 . 16685 1 335 . 1 1 32 32 ILE HG13 H 1 1.009 0.002 . 2 . . . . 133 ILE HG13 . 16685 1 336 . 1 1 32 32 ILE HG21 H 1 0.600 0.017 . 1 . . . . 133 ILE HG2 . 16685 1 337 . 1 1 32 32 ILE HG22 H 1 0.600 0.017 . 1 . . . . 133 ILE HG2 . 16685 1 338 . 1 1 32 32 ILE HG23 H 1 0.600 0.017 . 1 . . . . 133 ILE HG2 . 16685 1 339 . 1 1 32 32 ILE CA C 13 59.064 0.047 . 1 . . . . 133 ILE CA . 16685 1 340 . 1 1 32 32 ILE CB C 13 41.745 0.080 . 1 . . . . 133 ILE CB . 16685 1 341 . 1 1 32 32 ILE CD1 C 13 13.646 0.076 . 1 . . . . 133 ILE CD1 . 16685 1 342 . 1 1 32 32 ILE CG1 C 13 26.284 0.031 . 1 . . . . 133 ILE CG1 . 16685 1 343 . 1 1 32 32 ILE CG2 C 13 17.765 0.027 . 1 . . . . 133 ILE CG2 . 16685 1 344 . 1 1 32 32 ILE N N 15 120.557 0.030 . 1 . . . . 133 ILE N . 16685 1 345 . 1 1 33 33 ASN H H 1 8.188 0.005 . 1 . . . . 134 ASN H . 16685 1 346 . 1 1 33 33 ASN HA H 1 4.670 0.004 . 1 . . . . 134 ASN HA . 16685 1 347 . 1 1 33 33 ASN HB2 H 1 3.478 0.006 . 2 . . . . 134 ASN HB2 . 16685 1 348 . 1 1 33 33 ASN HB3 H 1 2.603 0.011 . 2 . . . . 134 ASN HB3 . 16685 1 349 . 1 1 33 33 ASN HD21 H 1 7.664 0.000 . 2 . . . . 134 ASN HD21 . 16685 1 350 . 1 1 33 33 ASN HD22 H 1 6.969 0.000 . 2 . . . . 134 ASN HD22 . 16685 1 351 . 1 1 33 33 ASN CA C 13 52.954 0.090 . 1 . . . . 134 ASN CA . 16685 1 352 . 1 1 33 33 ASN CB C 13 37.973 0.040 . 1 . . . . 134 ASN CB . 16685 1 353 . 1 1 33 33 ASN N N 15 121.992 0.062 . 1 . . . . 134 ASN N . 16685 1 354 . 1 1 33 33 ASN ND2 N 15 111.653 0.003 . 1 . . . . 134 ASN ND2 . 16685 1 355 . 1 1 34 34 LYS H H 1 6.773 0.001 . 1 . . . . 135 LYS H . 16685 1 356 . 1 1 34 34 LYS HA H 1 4.563 0.007 . 1 . . . . 135 LYS HA . 16685 1 357 . 1 1 34 34 LYS HB2 H 1 1.501 0.008 . 2 . . . . 135 LYS HB2 . 16685 1 358 . 1 1 34 34 LYS HB3 H 1 1.270 0.018 . 2 . . . . 135 LYS HB3 . 16685 1 359 . 1 1 34 34 LYS HD2 H 1 1.831 0.010 . 2 . . . . 135 LYS HD2 . 16685 1 360 . 1 1 34 34 LYS HD3 H 1 1.409 0.004 . 2 . . . . 135 LYS HD3 . 16685 1 361 . 1 1 34 34 LYS HE2 H 1 3.112 0.005 . 2 . . . . 135 LYS HE2 . 16685 1 362 . 1 1 34 34 LYS HE3 H 1 3.066 0.003 . 2 . . . . 135 LYS HE3 . 16685 1 363 . 1 1 34 34 LYS CA C 13 53.788 0.057 . 1 . . . . 135 LYS CA . 16685 1 364 . 1 1 34 34 LYS CB C 13 37.414 0.042 . 1 . . . . 135 LYS CB . 16685 1 365 . 1 1 34 34 LYS CD C 13 28.731 0.037 . 1 . . . . 135 LYS CD . 16685 1 366 . 1 1 34 34 LYS CE C 13 42.842 0.022 . 1 . . . . 135 LYS CE . 16685 1 367 . 1 1 34 34 LYS CG C 13 24.749 0.000 . 1 . . . . 135 LYS CG . 16685 1 368 . 1 1 34 34 LYS N N 15 116.119 0.008 . 1 . . . . 135 LYS N . 16685 1 369 . 1 1 35 35 GLY H H 1 8.643 0.002 . 1 . . . . 136 GLY H . 16685 1 370 . 1 1 35 35 GLY HA2 H 1 3.971 0.006 . 2 . . . . 136 GLY HA2 . 16685 1 371 . 1 1 35 35 GLY HA3 H 1 3.616 0.001 . 2 . . . . 136 GLY HA3 . 16685 1 372 . 1 1 35 35 GLY CA C 13 44.384 0.032 . 1 . . . . 136 GLY CA . 16685 1 373 . 1 1 35 35 GLY N N 15 109.391 0.019 . 1 . . . . 136 GLY N . 16685 1 374 . 1 1 36 36 THR H H 1 9.315 0.002 . 1 . . . . 137 THR H . 16685 1 375 . 1 1 36 36 THR HA H 1 4.264 0.008 . 1 . . . . 137 THR HA . 16685 1 376 . 1 1 36 36 THR HB H 1 4.279 0.005 . 1 . . . . 137 THR HB . 16685 1 377 . 1 1 36 36 THR HG21 H 1 1.221 0.008 . 1 . . . . 137 THR HG2 . 16685 1 378 . 1 1 36 36 THR HG22 H 1 1.221 0.008 . 1 . . . . 137 THR HG2 . 16685 1 379 . 1 1 36 36 THR HG23 H 1 1.221 0.008 . 1 . . . . 137 THR HG2 . 16685 1 380 . 1 1 36 36 THR CA C 13 65.486 0.036 . 1 . . . . 137 THR CA . 16685 1 381 . 1 1 36 36 THR CB C 13 68.082 0.035 . 1 . . . . 137 THR CB . 16685 1 382 . 1 1 36 36 THR CG2 C 13 22.014 0.010 . 1 . . . . 137 THR CG2 . 16685 1 383 . 1 1 36 36 THR N N 15 118.877 0.016 . 1 . . . . 137 THR N . 16685 1 384 . 1 1 37 37 GLN H H 1 9.131 0.003 . 1 . . . . 138 GLN H . 16685 1 385 . 1 1 37 37 GLN HA H 1 4.115 0.006 . 1 . . . . 138 GLN HA . 16685 1 386 . 1 1 37 37 GLN HB2 H 1 2.035 0.004 . 2 . . . . 138 GLN HB2 . 16685 1 387 . 1 1 37 37 GLN HB3 H 1 1.731 0.004 . 2 . . . . 138 GLN HB3 . 16685 1 388 . 1 1 37 37 GLN HG2 H 1 2.182 0.004 . 2 . . . . 138 GLN HG2 . 16685 1 389 . 1 1 37 37 GLN HG3 H 1 2.182 0.004 . 2 . . . . 138 GLN HG3 . 16685 1 390 . 1 1 37 37 GLN CA C 13 58.300 0.099 . 1 . . . . 138 GLN CA . 16685 1 391 . 1 1 37 37 GLN CB C 13 27.657 0.090 . 1 . . . . 138 GLN CB . 16685 1 392 . 1 1 37 37 GLN CG C 13 34.539 0.025 . 1 . . . . 138 GLN CG . 16685 1 393 . 1 1 37 37 GLN N N 15 124.082 0.026 . 1 . . . . 138 GLN N . 16685 1 394 . 1 1 38 38 GLN H H 1 7.648 0.002 . 1 . . . . 139 GLN H . 16685 1 395 . 1 1 38 38 GLN HA H 1 4.481 0.003 . 1 . . . . 139 GLN HA . 16685 1 396 . 1 1 38 38 GLN HB2 H 1 2.397 0.008 . 2 . . . . 139 GLN HB2 . 16685 1 397 . 1 1 38 38 GLN HB3 H 1 2.083 0.010 . 2 . . . . 139 GLN HB3 . 16685 1 398 . 1 1 38 38 GLN HE21 H 1 7.559 0.000 . 2 . . . . 139 GLN HE21 . 16685 1 399 . 1 1 38 38 GLN HE22 H 1 6.328 0.000 . 2 . . . . 139 GLN HE22 . 16685 1 400 . 1 1 38 38 GLN HG2 H 1 2.587 0.007 . 2 . . . . 139 GLN HG2 . 16685 1 401 . 1 1 38 38 GLN HG3 H 1 2.251 0.010 . 2 . . . . 139 GLN HG3 . 16685 1 402 . 1 1 38 38 GLN CA C 13 56.235 0.049 . 1 . . . . 139 GLN CA . 16685 1 403 . 1 1 38 38 GLN CB C 13 26.648 0.053 . 1 . . . . 139 GLN CB . 16685 1 404 . 1 1 38 38 GLN CG C 13 34.286 0.040 . 1 . . . . 139 GLN CG . 16685 1 405 . 1 1 38 38 GLN N N 15 118.491 0.006 . 1 . . . . 139 GLN N . 16685 1 406 . 1 1 38 38 GLN NE2 N 15 111.921 0.001 . 1 . . . . 139 GLN NE2 . 16685 1 407 . 1 1 39 39 ASN H H 1 7.669 0.002 . 1 . . . . 140 ASN H . 16685 1 408 . 1 1 39 39 ASN HA H 1 4.142 0.003 . 1 . . . . 140 ASN HA . 16685 1 409 . 1 1 39 39 ASN HB2 H 1 3.056 0.002 . 2 . . . . 140 ASN HB2 . 16685 1 410 . 1 1 39 39 ASN HB3 H 1 3.007 0.003 . 2 . . . . 140 ASN HB3 . 16685 1 411 . 1 1 39 39 ASN CA C 13 55.159 0.051 . 1 . . . . 140 ASN CA . 16685 1 412 . 1 1 39 39 ASN CB C 13 36.497 0.035 . 1 . . . . 140 ASN CB . 16685 1 413 . 1 1 39 39 ASN N N 15 110.444 0.014 . 1 . . . . 140 ASN N . 16685 1 414 . 1 1 40 40 VAL H H 1 7.120 0.002 . 1 . . . . 141 VAL H . 16685 1 415 . 1 1 40 40 VAL HA H 1 3.564 0.007 . 1 . . . . 141 VAL HA . 16685 1 416 . 1 1 40 40 VAL HB H 1 1.244 0.003 . 1 . . . . 141 VAL HB . 16685 1 417 . 1 1 40 40 VAL HG11 H 1 0.658 0.006 . 2 . . . . 141 VAL HG1 . 16685 1 418 . 1 1 40 40 VAL HG12 H 1 0.658 0.006 . 2 . . . . 141 VAL HG1 . 16685 1 419 . 1 1 40 40 VAL HG13 H 1 0.658 0.006 . 2 . . . . 141 VAL HG1 . 16685 1 420 . 1 1 40 40 VAL HG21 H 1 0.853 0.008 . 2 . . . . 141 VAL HG2 . 16685 1 421 . 1 1 40 40 VAL HG22 H 1 0.853 0.008 . 2 . . . . 141 VAL HG2 . 16685 1 422 . 1 1 40 40 VAL HG23 H 1 0.853 0.008 . 2 . . . . 141 VAL HG2 . 16685 1 423 . 1 1 40 40 VAL CA C 13 64.559 0.037 . 1 . . . . 141 VAL CA . 16685 1 424 . 1 1 40 40 VAL CB C 13 31.640 0.070 . 1 . . . . 141 VAL CB . 16685 1 425 . 1 1 40 40 VAL CG1 C 13 22.547 0.043 . 2 . . . . 141 VAL CG1 . 16685 1 426 . 1 1 40 40 VAL CG2 C 13 22.497 0.108 . 2 . . . . 141 VAL CG2 . 16685 1 427 . 1 1 40 40 VAL N N 15 119.964 0.014 . 1 . . . . 141 VAL N . 16685 1 428 . 1 1 41 41 ALA H H 1 7.935 0.005 . 1 . . . . 142 ALA H . 16685 1 429 . 1 1 41 41 ALA HA H 1 4.651 0.010 . 1 . . . . 142 ALA HA . 16685 1 430 . 1 1 41 41 ALA HB1 H 1 1.374 0.008 . 1 . . . . 142 ALA HB . 16685 1 431 . 1 1 41 41 ALA HB2 H 1 1.374 0.008 . 1 . . . . 142 ALA HB . 16685 1 432 . 1 1 41 41 ALA HB3 H 1 1.374 0.008 . 1 . . . . 142 ALA HB . 16685 1 433 . 1 1 41 41 ALA CA C 13 49.764 0.057 . 1 . . . . 142 ALA CA . 16685 1 434 . 1 1 41 41 ALA CB C 13 23.306 0.066 . 1 . . . . 142 ALA CB . 16685 1 435 . 1 1 41 41 ALA N N 15 130.172 0.016 . 1 . . . . 142 ALA N . 16685 1 436 . 1 1 42 42 LYS H H 1 7.924 0.002 . 1 . . . . 143 LYS H . 16685 1 437 . 1 1 42 42 LYS HA H 1 3.607 0.005 . 1 . . . . 143 LYS HA . 16685 1 438 . 1 1 42 42 LYS HB2 H 1 1.624 0.003 . 2 . . . . 143 LYS HB2 . 16685 1 439 . 1 1 42 42 LYS HB3 H 1 1.624 0.003 . 2 . . . . 143 LYS HB3 . 16685 1 440 . 1 1 42 42 LYS HD2 H 1 1.612 0.009 . 2 . . . . 143 LYS HD2 . 16685 1 441 . 1 1 42 42 LYS HD3 H 1 1.612 0.009 . 2 . . . . 143 LYS HD3 . 16685 1 442 . 1 1 42 42 LYS HE2 H 1 2.992 0.009 . 2 . . . . 143 LYS HE2 . 16685 1 443 . 1 1 42 42 LYS HE3 H 1 2.992 0.009 . 2 . . . . 143 LYS HE3 . 16685 1 444 . 1 1 42 42 LYS HG2 H 1 1.394 0.019 . 2 . . . . 143 LYS HG2 . 16685 1 445 . 1 1 42 42 LYS HG3 H 1 1.251 0.003 . 2 . . . . 143 LYS HG3 . 16685 1 446 . 1 1 42 42 LYS CA C 13 56.988 0.052 . 1 . . . . 143 LYS CA . 16685 1 447 . 1 1 42 42 LYS CB C 13 32.629 0.070 . 1 . . . . 143 LYS CB . 16685 1 448 . 1 1 42 42 LYS CD C 13 29.828 0.034 . 1 . . . . 143 LYS CD . 16685 1 449 . 1 1 42 42 LYS CE C 13 42.125 0.002 . 1 . . . . 143 LYS CE . 16685 1 450 . 1 1 42 42 LYS CG C 13 23.693 0.061 . 1 . . . . 143 LYS CG . 16685 1 451 . 1 1 42 42 LYS N N 15 117.559 0.019 . 1 . . . . 143 LYS N . 16685 1 452 . 1 1 43 43 ASP H H 1 8.415 0.003 . 1 . . . . 144 ASP H . 16685 1 453 . 1 1 43 43 ASP HA H 1 4.134 0.004 . 1 . . . . 144 ASP HA . 16685 1 454 . 1 1 43 43 ASP HB2 H 1 3.172 0.003 . 2 . . . . 144 ASP HB2 . 16685 1 455 . 1 1 43 43 ASP HB3 H 1 2.886 0.002 . 2 . . . . 144 ASP HB3 . 16685 1 456 . 1 1 43 43 ASP CA C 13 57.109 0.051 . 1 . . . . 144 ASP CA . 16685 1 457 . 1 1 43 43 ASP CB C 13 39.042 0.050 . 1 . . . . 144 ASP CB . 16685 1 458 . 1 1 43 43 ASP N N 15 115.088 0.029 . 1 . . . . 144 ASP N . 16685 1 459 . 1 1 44 44 MET H H 1 7.033 0.002 . 1 . . . . 145 MET H . 16685 1 460 . 1 1 44 44 MET HA H 1 4.445 0.005 . 1 . . . . 145 MET HA . 16685 1 461 . 1 1 44 44 MET HB2 H 1 2.166 0.005 . 2 . . . . 145 MET HB2 . 16685 1 462 . 1 1 44 44 MET HB3 H 1 1.734 0.014 . 2 . . . . 145 MET HB3 . 16685 1 463 . 1 1 44 44 MET HG2 H 1 2.885 0.005 . 2 . . . . 145 MET HG2 . 16685 1 464 . 1 1 44 44 MET HG3 H 1 2.586 0.007 . 2 . . . . 145 MET HG3 . 16685 1 465 . 1 1 44 44 MET CA C 13 57.163 0.039 . 1 . . . . 145 MET CA . 16685 1 466 . 1 1 44 44 MET CB C 13 33.329 0.056 . 1 . . . . 145 MET CB . 16685 1 467 . 1 1 44 44 MET CE C 13 19.805 0.000 . 1 . . . . 145 MET CE . 16685 1 468 . 1 1 44 44 MET CG C 13 34.691 0.046 . 1 . . . . 145 MET CG . 16685 1 469 . 1 1 44 44 MET N N 15 118.197 0.005 . 1 . . . . 145 MET N . 16685 1 470 . 1 1 45 45 ALA H H 1 9.078 0.003 . 1 . . . . 146 ALA H . 16685 1 471 . 1 1 45 45 ALA HA H 1 4.247 0.014 . 1 . . . . 146 ALA HA . 16685 1 472 . 1 1 45 45 ALA HB1 H 1 0.933 0.005 . 1 . . . . 146 ALA HB . 16685 1 473 . 1 1 45 45 ALA HB2 H 1 0.933 0.005 . 1 . . . . 146 ALA HB . 16685 1 474 . 1 1 45 45 ALA HB3 H 1 0.933 0.005 . 1 . . . . 146 ALA HB . 16685 1 475 . 1 1 45 45 ALA CA C 13 52.199 0.094 . 1 . . . . 146 ALA CA . 16685 1 476 . 1 1 45 45 ALA CB C 13 19.481 0.079 . 1 . . . . 146 ALA CB . 16685 1 477 . 1 1 45 45 ALA N N 15 124.898 0.033 . 1 . . . . 146 ALA N . 16685 1 478 . 1 1 46 46 VAL H H 1 8.107 0.002 . 1 . . . . 147 VAL H . 16685 1 479 . 1 1 46 46 VAL HA H 1 5.232 0.010 . 1 . . . . 147 VAL HA . 16685 1 480 . 1 1 46 46 VAL HB H 1 1.293 0.005 . 1 . . . . 147 VAL HB . 16685 1 481 . 1 1 46 46 VAL HG11 H 1 0.843 0.006 . 2 . . . . 147 VAL HG1 . 16685 1 482 . 1 1 46 46 VAL HG12 H 1 0.843 0.006 . 2 . . . . 147 VAL HG1 . 16685 1 483 . 1 1 46 46 VAL HG13 H 1 0.843 0.006 . 2 . . . . 147 VAL HG1 . 16685 1 484 . 1 1 46 46 VAL HG21 H 1 0.717 0.002 . 2 . . . . 147 VAL HG2 . 16685 1 485 . 1 1 46 46 VAL HG22 H 1 0.717 0.002 . 2 . . . . 147 VAL HG2 . 16685 1 486 . 1 1 46 46 VAL HG23 H 1 0.717 0.002 . 2 . . . . 147 VAL HG2 . 16685 1 487 . 1 1 46 46 VAL CA C 13 59.880 0.055 . 1 . . . . 147 VAL CA . 16685 1 488 . 1 1 46 46 VAL CB C 13 34.090 0.044 . 1 . . . . 147 VAL CB . 16685 1 489 . 1 1 46 46 VAL CG1 C 13 22.582 0.039 . 2 . . . . 147 VAL CG1 . 16685 1 490 . 1 1 46 46 VAL CG2 C 13 21.732 0.047 . 2 . . . . 147 VAL CG2 . 16685 1 491 . 1 1 46 46 VAL N N 15 119.682 0.013 . 1 . . . . 147 VAL N . 16685 1 492 . 1 1 47 47 THR H H 1 9.874 0.003 . 1 . . . . 148 THR H . 16685 1 493 . 1 1 47 47 THR HA H 1 5.366 0.006 . 1 . . . . 148 THR HA . 16685 1 494 . 1 1 47 47 THR HB H 1 4.037 0.007 . 1 . . . . 148 THR HB . 16685 1 495 . 1 1 47 47 THR HG21 H 1 0.828 0.018 . 1 . . . . 148 THR HG2 . 16685 1 496 . 1 1 47 47 THR HG22 H 1 0.828 0.018 . 1 . . . . 148 THR HG2 . 16685 1 497 . 1 1 47 47 THR HG23 H 1 0.828 0.018 . 1 . . . . 148 THR HG2 . 16685 1 498 . 1 1 47 47 THR CA C 13 59.742 0.031 . 1 . . . . 148 THR CA . 16685 1 499 . 1 1 47 47 THR CB C 13 71.818 0.059 . 1 . . . . 148 THR CB . 16685 1 500 . 1 1 47 47 THR CG2 C 13 19.804 0.047 . 1 . . . . 148 THR CG2 . 16685 1 501 . 1 1 47 47 THR N N 15 119.771 0.022 . 1 . . . . 148 THR N . 16685 1 502 . 1 1 48 48 ASN H H 1 8.708 0.004 . 1 . . . . 149 ASN H . 16685 1 503 . 1 1 48 48 ASN HA H 1 4.995 0.006 . 1 . . . . 149 ASN HA . 16685 1 504 . 1 1 48 48 ASN HB2 H 1 3.886 0.006 . 2 . . . . 149 ASN HB2 . 16685 1 505 . 1 1 48 48 ASN HB3 H 1 2.783 0.007 . 2 . . . . 149 ASN HB3 . 16685 1 506 . 1 1 48 48 ASN HD21 H 1 8.219 0.000 . 2 . . . . 149 ASN HD21 . 16685 1 507 . 1 1 48 48 ASN HD22 H 1 7.516 0.000 . 2 . . . . 149 ASN HD22 . 16685 1 508 . 1 1 48 48 ASN CA C 13 51.482 0.094 . 1 . . . . 149 ASN CA . 16685 1 509 . 1 1 48 48 ASN CB C 13 37.511 0.048 . 1 . . . . 149 ASN CB . 16685 1 510 . 1 1 48 48 ASN N N 15 117.685 0.017 . 1 . . . . 149 ASN N . 16685 1 511 . 1 1 48 48 ASN ND2 N 15 113.317 0.008 . 1 . . . . 149 ASN ND2 . 16685 1 512 . 1 1 49 49 GLU H H 1 9.448 0.004 . 1 . . . . 150 GLU H . 16685 1 513 . 1 1 49 49 GLU HA H 1 4.011 0.004 . 1 . . . . 150 GLU HA . 16685 1 514 . 1 1 49 49 GLU HB2 H 1 2.092 0.008 . 2 . . . . 150 GLU HB2 . 16685 1 515 . 1 1 49 49 GLU HB3 H 1 2.092 0.008 . 2 . . . . 150 GLU HB3 . 16685 1 516 . 1 1 49 49 GLU HG2 H 1 2.352 0.006 . 2 . . . . 150 GLU HG2 . 16685 1 517 . 1 1 49 49 GLU HG3 H 1 2.170 0.010 . 2 . . . . 150 GLU HG3 . 16685 1 518 . 1 1 49 49 GLU CA C 13 59.453 0.035 . 1 . . . . 150 GLU CA . 16685 1 519 . 1 1 49 49 GLU CB C 13 29.086 0.110 . 1 . . . . 150 GLU CB . 16685 1 520 . 1 1 49 49 GLU CG C 13 36.971 0.042 . 1 . . . . 150 GLU CG . 16685 1 521 . 1 1 49 49 GLU N N 15 120.314 0.018 . 1 . . . . 150 GLU N . 16685 1 522 . 1 1 50 50 LYS H H 1 7.223 0.003 . 1 . . . . 151 LYS H . 16685 1 523 . 1 1 50 50 LYS HA H 1 4.421 0.004 . 1 . . . . 151 LYS HA . 16685 1 524 . 1 1 50 50 LYS HB2 H 1 2.106 0.003 . 2 . . . . 151 LYS HB2 . 16685 1 525 . 1 1 50 50 LYS HB3 H 1 1.700 0.003 . 2 . . . . 151 LYS HB3 . 16685 1 526 . 1 1 50 50 LYS HD2 H 1 1.707 0.005 . 2 . . . . 151 LYS HD2 . 16685 1 527 . 1 1 50 50 LYS HD3 H 1 1.707 0.005 . 2 . . . . 151 LYS HD3 . 16685 1 528 . 1 1 50 50 LYS HE2 H 1 3.026 0.001 . 2 . . . . 151 LYS HE2 . 16685 1 529 . 1 1 50 50 LYS HE3 H 1 3.026 0.001 . 2 . . . . 151 LYS HE3 . 16685 1 530 . 1 1 50 50 LYS HG2 H 1 1.469 0.005 . 2 . . . . 151 LYS HG2 . 16685 1 531 . 1 1 50 50 LYS HG3 H 1 1.413 0.002 . 2 . . . . 151 LYS HG3 . 16685 1 532 . 1 1 50 50 LYS CA C 13 55.280 0.062 . 1 . . . . 151 LYS CA . 16685 1 533 . 1 1 50 50 LYS CB C 13 32.578 0.057 . 1 . . . . 151 LYS CB . 16685 1 534 . 1 1 50 50 LYS CD C 13 28.807 0.029 . 1 . . . . 151 LYS CD . 16685 1 535 . 1 1 50 50 LYS CE C 13 42.172 0.002 . 1 . . . . 151 LYS CE . 16685 1 536 . 1 1 50 50 LYS CG C 13 25.062 0.056 . 1 . . . . 151 LYS CG . 16685 1 537 . 1 1 50 50 LYS N N 15 117.953 0.012 . 1 . . . . 151 LYS N . 16685 1 538 . 1 1 51 51 GLY H H 1 7.712 0.002 . 1 . . . . 152 GLY H . 16685 1 539 . 1 1 51 51 GLY HA2 H 1 4.260 0.007 . 2 . . . . 152 GLY HA2 . 16685 1 540 . 1 1 51 51 GLY HA3 H 1 3.651 0.012 . 2 . . . . 152 GLY HA3 . 16685 1 541 . 1 1 51 51 GLY CA C 13 45.270 0.036 . 1 . . . . 152 GLY CA . 16685 1 542 . 1 1 51 51 GLY N N 15 107.839 0.016 . 1 . . . . 152 GLY N . 16685 1 543 . 1 1 52 52 ALA H H 1 7.789 0.002 . 1 . . . . 153 ALA H . 16685 1 544 . 1 1 52 52 ALA HA H 1 4.684 0.008 . 1 . . . . 153 ALA HA . 16685 1 545 . 1 1 52 52 ALA HB1 H 1 1.218 0.007 . 1 . . . . 153 ALA HB . 16685 1 546 . 1 1 52 52 ALA HB2 H 1 1.218 0.007 . 1 . . . . 153 ALA HB . 16685 1 547 . 1 1 52 52 ALA HB3 H 1 1.218 0.007 . 1 . . . . 153 ALA HB . 16685 1 548 . 1 1 52 52 ALA CA C 13 50.712 0.075 . 1 . . . . 153 ALA CA . 16685 1 549 . 1 1 52 52 ALA CB C 13 19.500 0.083 . 1 . . . . 153 ALA CB . 16685 1 550 . 1 1 52 52 ALA N N 15 123.654 0.008 . 1 . . . . 153 ALA N . 16685 1 551 . 1 1 53 53 LEU H H 1 8.537 0.002 . 1 . . . . 154 LEU H . 16685 1 552 . 1 1 53 53 LEU HA H 1 3.953 0.010 . 1 . . . . 154 LEU HA . 16685 1 553 . 1 1 53 53 LEU HB2 H 1 1.726 0.004 . 2 . . . . 154 LEU HB2 . 16685 1 554 . 1 1 53 53 LEU HB3 H 1 1.038 0.006 . 2 . . . . 154 LEU HB3 . 16685 1 555 . 1 1 53 53 LEU HG H 1 0.603 0.000 . 1 . . . . 154 LEU HG . 16685 1 556 . 1 1 53 53 LEU CA C 13 56.538 0.063 . 1 . . . . 154 LEU CA . 16685 1 557 . 1 1 53 53 LEU CB C 13 44.335 0.055 . 1 . . . . 154 LEU CB . 16685 1 558 . 1 1 53 53 LEU CD1 C 13 23.538 0.000 . 2 . . . . 154 LEU CD1 . 16685 1 559 . 1 1 53 53 LEU CG C 13 26.921 0.066 . 1 . . . . 154 LEU CG . 16685 1 560 . 1 1 53 53 LEU N N 15 124.619 0.009 . 1 . . . . 154 LEU N . 16685 1 561 . 1 1 54 54 ILE H H 1 9.171 0.003 . 1 . . . . 155 ILE H . 16685 1 562 . 1 1 54 54 ILE HA H 1 4.573 0.010 . 1 . . . . 155 ILE HA . 16685 1 563 . 1 1 54 54 ILE HB H 1 1.664 0.008 . 1 . . . . 155 ILE HB . 16685 1 564 . 1 1 54 54 ILE HD11 H 1 0.549 0.012 . 1 . . . . 155 ILE HD1 . 16685 1 565 . 1 1 54 54 ILE HD12 H 1 0.549 0.012 . 1 . . . . 155 ILE HD1 . 16685 1 566 . 1 1 54 54 ILE HD13 H 1 0.549 0.012 . 1 . . . . 155 ILE HD1 . 16685 1 567 . 1 1 54 54 ILE HG12 H 1 0.984 0.000 . 2 . . . . 155 ILE HG12 . 16685 1 568 . 1 1 54 54 ILE HG13 H 1 0.629 0.010 . 2 . . . . 155 ILE HG13 . 16685 1 569 . 1 1 54 54 ILE HG21 H 1 0.711 0.012 . 1 . . . . 155 ILE HG2 . 16685 1 570 . 1 1 54 54 ILE HG22 H 1 0.711 0.012 . 1 . . . . 155 ILE HG2 . 16685 1 571 . 1 1 54 54 ILE HG23 H 1 0.711 0.012 . 1 . . . . 155 ILE HG2 . 16685 1 572 . 1 1 54 54 ILE CA C 13 60.842 0.033 . 1 . . . . 155 ILE CA . 16685 1 573 . 1 1 54 54 ILE CB C 13 40.478 0.082 . 1 . . . . 155 ILE CB . 16685 1 574 . 1 1 54 54 ILE CD1 C 13 15.568 0.024 . 1 . . . . 155 ILE CD1 . 16685 1 575 . 1 1 54 54 ILE CG1 C 13 26.694 0.065 . 1 . . . . 155 ILE CG1 . 16685 1 576 . 1 1 54 54 ILE CG2 C 13 18.450 0.049 . 1 . . . . 155 ILE CG2 . 16685 1 577 . 1 1 54 54 ILE N N 15 117.601 0.035 . 1 . . . . 155 ILE N . 16685 1 578 . 1 1 55 55 GLY H H 1 7.585 0.002 . 1 . . . . 156 GLY H . 16685 1 579 . 1 1 55 55 GLY HA2 H 1 4.663 0.012 . 2 . . . . 156 GLY HA2 . 16685 1 580 . 1 1 55 55 GLY HA3 H 1 3.928 0.005 . 2 . . . . 156 GLY HA3 . 16685 1 581 . 1 1 55 55 GLY CA C 13 46.617 0.047 . 1 . . . . 156 GLY CA . 16685 1 582 . 1 1 55 55 GLY N N 15 108.945 0.045 . 1 . . . . 156 GLY N . 16685 1 583 . 1 1 56 56 LYS H H 1 8.147 0.001 . 1 . . . . 157 LYS H . 16685 1 584 . 1 1 56 56 LYS HA H 1 5.616 0.007 . 1 . . . . 157 LYS HA . 16685 1 585 . 1 1 56 56 LYS HB2 H 1 1.867 0.006 . 2 . . . . 157 LYS HB2 . 16685 1 586 . 1 1 56 56 LYS HB3 H 1 1.596 0.012 . 2 . . . . 157 LYS HB3 . 16685 1 587 . 1 1 56 56 LYS HD2 H 1 1.613 0.005 . 2 . . . . 157 LYS HD2 . 16685 1 588 . 1 1 56 56 LYS HD3 H 1 1.613 0.005 . 2 . . . . 157 LYS HD3 . 16685 1 589 . 1 1 56 56 LYS HE2 H 1 3.015 0.003 . 2 . . . . 157 LYS HE2 . 16685 1 590 . 1 1 56 56 LYS HE3 H 1 3.015 0.003 . 2 . . . . 157 LYS HE3 . 16685 1 591 . 1 1 56 56 LYS HG2 H 1 1.510 0.007 . 2 . . . . 157 LYS HG2 . 16685 1 592 . 1 1 56 56 LYS HG3 H 1 1.193 0.004 . 2 . . . . 157 LYS HG3 . 16685 1 593 . 1 1 56 56 LYS CA C 13 53.865 0.074 . 1 . . . . 157 LYS CA . 16685 1 594 . 1 1 56 56 LYS CB C 13 36.801 0.035 . 1 . . . . 157 LYS CB . 16685 1 595 . 1 1 56 56 LYS CD C 13 29.955 0.017 . 1 . . . . 157 LYS CD . 16685 1 596 . 1 1 56 56 LYS CE C 13 42.323 0.004 . 1 . . . . 157 LYS CE . 16685 1 597 . 1 1 56 56 LYS CG C 13 23.102 0.079 . 1 . . . . 157 LYS CG . 16685 1 598 . 1 1 56 56 LYS N N 15 118.123 0.014 . 1 . . . . 157 LYS N . 16685 1 599 . 1 1 57 57 ILE H H 1 8.871 0.002 . 1 . . . . 158 ILE H . 16685 1 600 . 1 1 57 57 ILE HA H 1 4.431 0.007 . 1 . . . . 158 ILE HA . 16685 1 601 . 1 1 57 57 ILE HB H 1 2.284 0.008 . 1 . . . . 158 ILE HB . 16685 1 602 . 1 1 57 57 ILE HD11 H 1 0.538 0.006 . 1 . . . . 158 ILE HD1 . 16685 1 603 . 1 1 57 57 ILE HD12 H 1 0.538 0.006 . 1 . . . . 158 ILE HD1 . 16685 1 604 . 1 1 57 57 ILE HD13 H 1 0.538 0.006 . 1 . . . . 158 ILE HD1 . 16685 1 605 . 1 1 57 57 ILE HG12 H 1 1.595 0.005 . 2 . . . . 158 ILE HG12 . 16685 1 606 . 1 1 57 57 ILE HG13 H 1 1.306 0.005 . 2 . . . . 158 ILE HG13 . 16685 1 607 . 1 1 57 57 ILE HG21 H 1 0.892 0.004 . 1 . . . . 158 ILE HG2 . 16685 1 608 . 1 1 57 57 ILE HG22 H 1 0.892 0.004 . 1 . . . . 158 ILE HG2 . 16685 1 609 . 1 1 57 57 ILE HG23 H 1 0.892 0.004 . 1 . . . . 158 ILE HG2 . 16685 1 610 . 1 1 57 57 ILE CA C 13 59.077 0.043 . 1 . . . . 158 ILE CA . 16685 1 611 . 1 1 57 57 ILE CB C 13 35.603 0.019 . 1 . . . . 158 ILE CB . 16685 1 612 . 1 1 57 57 ILE CD1 C 13 9.086 0.007 . 1 . . . . 158 ILE CD1 . 16685 1 613 . 1 1 57 57 ILE CG1 C 13 25.474 0.040 . 1 . . . . 158 ILE CG1 . 16685 1 614 . 1 1 57 57 ILE CG2 C 13 17.575 0.026 . 1 . . . . 158 ILE CG2 . 16685 1 615 . 1 1 57 57 ILE N N 15 124.188 0.033 . 1 . . . . 158 ILE N . 16685 1 616 . 1 1 58 58 LYS H H 1 8.747 0.002 . 1 . . . . 159 LYS H . 16685 1 617 . 1 1 58 58 LYS HA H 1 4.377 0.003 . 1 . . . . 159 LYS HA . 16685 1 618 . 1 1 58 58 LYS HB2 H 1 2.057 0.004 . 2 . . . . 159 LYS HB2 . 16685 1 619 . 1 1 58 58 LYS HB3 H 1 1.811 0.001 . 2 . . . . 159 LYS HB3 . 16685 1 620 . 1 1 58 58 LYS HG2 H 1 1.680 0.000 . 2 . . . . 159 LYS HG2 . 16685 1 621 . 1 1 58 58 LYS HG3 H 1 1.490 0.000 . 2 . . . . 159 LYS HG3 . 16685 1 622 . 1 1 58 58 LYS CA C 13 56.615 0.057 . 1 . . . . 159 LYS CA . 16685 1 623 . 1 1 58 58 LYS CB C 13 34.008 0.042 . 1 . . . . 159 LYS CB . 16685 1 624 . 1 1 58 58 LYS CG C 13 26.279 0.010 . 1 . . . . 159 LYS CG . 16685 1 625 . 1 1 58 58 LYS N N 15 131.437 0.024 . 1 . . . . 159 LYS N . 16685 1 626 . 1 1 61 61 GLY HA2 H 1 3.801 0.001 . 2 . . . . 162 GLY HA2 . 16685 1 627 . 1 1 61 61 GLY HA3 H 1 3.752 0.006 . 2 . . . . 162 GLY HA3 . 16685 1 628 . 1 1 61 61 GLY CA C 13 45.771 0.054 . 1 . . . . 162 GLY CA . 16685 1 629 . 1 1 62 62 LEU H H 1 7.236 0.001 . 1 . . . . 163 LEU H . 16685 1 630 . 1 1 62 62 LEU HA H 1 4.394 0.010 . 1 . . . . 163 LEU HA . 16685 1 631 . 1 1 62 62 LEU HB2 H 1 1.823 0.007 . 2 . . . . 163 LEU HB2 . 16685 1 632 . 1 1 62 62 LEU HB3 H 1 1.495 0.010 . 2 . . . . 163 LEU HB3 . 16685 1 633 . 1 1 62 62 LEU HG H 1 0.833 0.007 . 1 . . . . 163 LEU HG . 16685 1 634 . 1 1 62 62 LEU CA C 13 55.654 0.053 . 1 . . . . 163 LEU CA . 16685 1 635 . 1 1 62 62 LEU CB C 13 40.890 0.040 . 1 . . . . 163 LEU CB . 16685 1 636 . 1 1 62 62 LEU CD1 C 13 25.022 0.000 . 2 . . . . 163 LEU CD1 . 16685 1 637 . 1 1 62 62 LEU CD2 C 13 23.359 0.000 . 2 . . . . 163 LEU CD2 . 16685 1 638 . 1 1 62 62 LEU CG C 13 26.522 0.038 . 1 . . . . 163 LEU CG . 16685 1 639 . 1 1 62 62 LEU N N 15 123.943 0.006 . 1 . . . . 163 LEU N . 16685 1 640 . 1 1 63 63 ASN H H 1 8.515 0.003 . 1 . . . . 164 ASN H . 16685 1 641 . 1 1 63 63 ASN HA H 1 5.132 0.004 . 1 . . . . 164 ASN HA . 16685 1 642 . 1 1 63 63 ASN HB2 H 1 3.059 0.006 . 2 . . . . 164 ASN HB2 . 16685 1 643 . 1 1 63 63 ASN HB3 H 1 2.898 0.004 . 2 . . . . 164 ASN HB3 . 16685 1 644 . 1 1 63 63 ASN CA C 13 51.904 0.120 . 1 . . . . 164 ASN CA . 16685 1 645 . 1 1 63 63 ASN CB C 13 41.239 0.082 . 1 . . . . 164 ASN CB . 16685 1 646 . 1 1 63 63 ASN N N 15 129.019 0.012 . 1 . . . . 164 ASN N . 16685 1 647 . 1 1 64 64 ASN HA H 1 4.734 0.006 . 1 . . . . 165 ASN HA . 16685 1 648 . 1 1 64 64 ASN HB2 H 1 2.274 0.005 . 2 . . . . 165 ASN HB2 . 16685 1 649 . 1 1 64 64 ASN HB3 H 1 1.825 0.011 . 2 . . . . 165 ASN HB3 . 16685 1 650 . 1 1 64 64 ASN CA C 13 56.409 0.052 . 1 . . . . 165 ASN CA . 16685 1 651 . 1 1 64 64 ASN CB C 13 38.254 0.039 . 1 . . . . 165 ASN CB . 16685 1 652 . 1 1 65 65 PHE H H 1 8.361 0.004 . 1 . . . . 166 PHE H . 16685 1 653 . 1 1 65 65 PHE HA H 1 5.045 0.005 . 1 . . . . 166 PHE HA . 16685 1 654 . 1 1 65 65 PHE HB2 H 1 3.508 0.004 . 2 . . . . 166 PHE HB2 . 16685 1 655 . 1 1 65 65 PHE HB3 H 1 2.810 0.007 . 2 . . . . 166 PHE HB3 . 16685 1 656 . 1 1 65 65 PHE HD1 H 1 7.341 0.011 . 3 . . . . 166 PHE HD1 . 16685 1 657 . 1 1 65 65 PHE HD2 H 1 7.341 0.011 . 3 . . . . 166 PHE HD2 . 16685 1 658 . 1 1 65 65 PHE HE1 H 1 7.348 0.024 . 3 . . . . 166 PHE HE1 . 16685 1 659 . 1 1 65 65 PHE HE2 H 1 7.348 0.024 . 3 . . . . 166 PHE HE2 . 16685 1 660 . 1 1 65 65 PHE HZ H 1 7.330 0.011 . 1 . . . . 166 PHE HZ . 16685 1 661 . 1 1 65 65 PHE CA C 13 56.996 0.064 . 1 . . . . 166 PHE CA . 16685 1 662 . 1 1 65 65 PHE CB C 13 41.217 0.052 . 1 . . . . 166 PHE CB . 16685 1 663 . 1 1 65 65 PHE CD1 C 13 131.513 0.087 . 3 . . . . 166 PHE CD1 . 16685 1 664 . 1 1 65 65 PHE CE1 C 13 130.994 0.011 . 3 . . . . 166 PHE CE1 . 16685 1 665 . 1 1 65 65 PHE CZ C 13 129.535 0.030 . 1 . . . . 166 PHE CZ . 16685 1 666 . 1 1 65 65 PHE N N 15 113.684 0.015 . 1 . . . . 166 PHE N . 16685 1 667 . 1 1 66 66 THR H H 1 7.151 0.002 . 1 . . . . 167 THR H . 16685 1 668 . 1 1 66 66 THR HA H 1 4.950 0.004 . 1 . . . . 167 THR HA . 16685 1 669 . 1 1 66 66 THR HB H 1 4.334 0.004 . 1 . . . . 167 THR HB . 16685 1 670 . 1 1 66 66 THR HG21 H 1 1.123 0.005 . 1 . . . . 167 THR HG2 . 16685 1 671 . 1 1 66 66 THR HG22 H 1 1.123 0.005 . 1 . . . . 167 THR HG2 . 16685 1 672 . 1 1 66 66 THR HG23 H 1 1.123 0.005 . 1 . . . . 167 THR HG2 . 16685 1 673 . 1 1 66 66 THR CA C 13 59.323 0.045 . 1 . . . . 167 THR CA . 16685 1 674 . 1 1 66 66 THR CB C 13 73.351 0.048 . 1 . . . . 167 THR CB . 16685 1 675 . 1 1 66 66 THR CG2 C 13 22.418 0.119 . 1 . . . . 167 THR CG2 . 16685 1 676 . 1 1 66 66 THR N N 15 108.497 0.018 . 1 . . . . 167 THR N . 16685 1 677 . 1 1 67 67 SER H H 1 7.838 0.002 . 1 . . . . 168 SER H . 16685 1 678 . 1 1 67 67 SER HA H 1 5.074 0.003 . 1 . . . . 168 SER HA . 16685 1 679 . 1 1 67 67 SER HB2 H 1 4.071 0.007 . 2 . . . . 168 SER HB2 . 16685 1 680 . 1 1 67 67 SER HB3 H 1 3.669 0.004 . 2 . . . . 168 SER HB3 . 16685 1 681 . 1 1 67 67 SER CA C 13 58.174 0.039 . 1 . . . . 168 SER CA . 16685 1 682 . 1 1 67 67 SER CB C 13 66.019 0.042 . 1 . . . . 168 SER CB . 16685 1 683 . 1 1 67 67 SER N N 15 110.162 0.017 . 1 . . . . 168 SER N . 16685 1 684 . 1 1 68 68 ALA H H 1 9.344 0.003 . 1 . . . . 169 ALA H . 16685 1 685 . 1 1 68 68 ALA HA H 1 5.342 0.004 . 1 . . . . 169 ALA HA . 16685 1 686 . 1 1 68 68 ALA HB1 H 1 1.289 0.004 . 1 . . . . 169 ALA HB . 16685 1 687 . 1 1 68 68 ALA HB2 H 1 1.289 0.004 . 1 . . . . 169 ALA HB . 16685 1 688 . 1 1 68 68 ALA HB3 H 1 1.289 0.004 . 1 . . . . 169 ALA HB . 16685 1 689 . 1 1 68 68 ALA CA C 13 50.211 0.139 . 1 . . . . 169 ALA CA . 16685 1 690 . 1 1 68 68 ALA CB C 13 21.650 0.079 . 1 . . . . 169 ALA CB . 16685 1 691 . 1 1 68 68 ALA N N 15 124.332 0.028 . 1 . . . . 169 ALA N . 16685 1 692 . 1 1 69 69 VAL H H 1 9.004 0.002 . 1 . . . . 170 VAL H . 16685 1 693 . 1 1 69 69 VAL HA H 1 4.362 0.011 . 1 . . . . 170 VAL HA . 16685 1 694 . 1 1 69 69 VAL HB H 1 1.941 0.004 . 1 . . . . 170 VAL HB . 16685 1 695 . 1 1 69 69 VAL HG11 H 1 0.707 0.008 . 2 . . . . 170 VAL HG1 . 16685 1 696 . 1 1 69 69 VAL HG12 H 1 0.707 0.008 . 2 . . . . 170 VAL HG1 . 16685 1 697 . 1 1 69 69 VAL HG13 H 1 0.707 0.008 . 2 . . . . 170 VAL HG1 . 16685 1 698 . 1 1 69 69 VAL HG21 H 1 0.485 0.005 . 2 . . . . 170 VAL HG2 . 16685 1 699 . 1 1 69 69 VAL HG22 H 1 0.485 0.005 . 2 . . . . 170 VAL HG2 . 16685 1 700 . 1 1 69 69 VAL HG23 H 1 0.485 0.005 . 2 . . . . 170 VAL HG2 . 16685 1 701 . 1 1 69 69 VAL CA C 13 60.299 0.039 . 1 . . . . 170 VAL CA . 16685 1 702 . 1 1 69 69 VAL CB C 13 33.789 0.054 . 1 . . . . 170 VAL CB . 16685 1 703 . 1 1 69 69 VAL CG1 C 13 21.242 0.101 . 2 . . . . 170 VAL CG1 . 16685 1 704 . 1 1 69 69 VAL CG2 C 13 20.598 0.029 . 2 . . . . 170 VAL CG2 . 16685 1 705 . 1 1 69 69 VAL N N 15 122.179 0.009 . 1 . . . . 170 VAL N . 16685 1 706 . 1 1 70 70 GLN H H 1 9.293 0.003 . 1 . . . . 171 GLN H . 16685 1 707 . 1 1 70 70 GLN HA H 1 4.678 0.015 . 1 . . . . 171 GLN HA . 16685 1 708 . 1 1 70 70 GLN HB2 H 1 2.224 0.018 . 2 . . . . 171 GLN HB2 . 16685 1 709 . 1 1 70 70 GLN HB3 H 1 2.224 0.018 . 2 . . . . 171 GLN HB3 . 16685 1 710 . 1 1 70 70 GLN HE21 H 1 7.955 0.000 . 2 . . . . 171 GLN HE21 . 16685 1 711 . 1 1 70 70 GLN HE22 H 1 6.962 0.000 . 2 . . . . 171 GLN HE22 . 16685 1 712 . 1 1 70 70 GLN HG2 H 1 2.704 0.005 . 2 . . . . 171 GLN HG2 . 16685 1 713 . 1 1 70 70 GLN HG3 H 1 2.227 0.011 . 2 . . . . 171 GLN HG3 . 16685 1 714 . 1 1 70 70 GLN CA C 13 54.690 0.059 . 1 . . . . 171 GLN CA . 16685 1 715 . 1 1 70 70 GLN CB C 13 29.251 0.034 . 1 . . . . 171 GLN CB . 16685 1 716 . 1 1 70 70 GLN CG C 13 32.904 0.048 . 1 . . . . 171 GLN CG . 16685 1 717 . 1 1 70 70 GLN N N 15 128.299 0.023 . 1 . . . . 171 GLN N . 16685 1 718 . 1 1 70 70 GLN NE2 N 15 113.269 0.001 . 1 . . . . 171 GLN NE2 . 16685 1 719 . 1 1 71 71 LEU H H 1 8.047 0.003 . 1 . . . . 172 LEU H . 16685 1 720 . 1 1 71 71 LEU HA H 1 4.889 0.012 . 1 . . . . 172 LEU HA . 16685 1 721 . 1 1 71 71 LEU HB2 H 1 1.725 0.006 . 2 . . . . 172 LEU HB2 . 16685 1 722 . 1 1 71 71 LEU HB3 H 1 1.283 0.007 . 2 . . . . 172 LEU HB3 . 16685 1 723 . 1 1 71 71 LEU HD11 H 1 0.617 0.003 . 2 . . . . 172 LEU HD1 . 16685 1 724 . 1 1 71 71 LEU HD12 H 1 0.617 0.003 . 2 . . . . 172 LEU HD1 . 16685 1 725 . 1 1 71 71 LEU HD13 H 1 0.617 0.003 . 2 . . . . 172 LEU HD1 . 16685 1 726 . 1 1 71 71 LEU HD21 H 1 0.586 0.005 . 2 . . . . 172 LEU HD2 . 16685 1 727 . 1 1 71 71 LEU HD22 H 1 0.586 0.005 . 2 . . . . 172 LEU HD2 . 16685 1 728 . 1 1 71 71 LEU HD23 H 1 0.586 0.005 . 2 . . . . 172 LEU HD2 . 16685 1 729 . 1 1 71 71 LEU HG H 1 1.427 0.013 . 1 . . . . 172 LEU HG . 16685 1 730 . 1 1 71 71 LEU CA C 13 54.702 0.078 . 1 . . . . 172 LEU CA . 16685 1 731 . 1 1 71 71 LEU CB C 13 44.167 0.037 . 1 . . . . 172 LEU CB . 16685 1 732 . 1 1 71 71 LEU CD1 C 13 22.964 0.062 . 2 . . . . 172 LEU CD1 . 16685 1 733 . 1 1 71 71 LEU CD2 C 13 25.442 0.064 . 2 . . . . 172 LEU CD2 . 16685 1 734 . 1 1 71 71 LEU CG C 13 27.268 0.093 . 1 . . . . 172 LEU CG . 16685 1 735 . 1 1 71 71 LEU N N 15 129.093 0.016 . 1 . . . . 172 LEU N . 16685 1 736 . 1 1 72 72 LEU H H 1 8.231 0.005 . 1 . . . . 173 LEU H . 16685 1 737 . 1 1 72 72 LEU HA H 1 4.044 0.007 . 1 . . . . 173 LEU HA . 16685 1 738 . 1 1 72 72 LEU HB2 H 1 1.429 0.016 . 2 . . . . 173 LEU HB2 . 16685 1 739 . 1 1 72 72 LEU HB3 H 1 1.429 0.016 . 2 . . . . 173 LEU HB3 . 16685 1 740 . 1 1 72 72 LEU CA C 13 56.836 0.048 . 1 . . . . 173 LEU CA . 16685 1 741 . 1 1 72 72 LEU CB C 13 43.349 0.088 . 1 . . . . 173 LEU CB . 16685 1 742 . 1 1 72 72 LEU CD1 C 13 26.678 0.000 . 2 . . . . 173 LEU CD1 . 16685 1 743 . 1 1 72 72 LEU CD2 C 13 22.498 0.000 . 2 . . . . 173 LEU CD2 . 16685 1 744 . 1 1 72 72 LEU CG C 13 25.400 0.000 . 1 . . . . 173 LEU CG . 16685 1 745 . 1 1 72 72 LEU N N 15 120.194 0.022 . 1 . . . . 173 LEU N . 16685 1 746 . 1 1 73 73 SER H H 1 6.688 0.003 . 1 . . . . 174 SER H . 16685 1 747 . 1 1 73 73 SER HA H 1 3.226 0.004 . 1 . . . . 174 SER HA . 16685 1 748 . 1 1 73 73 SER HB2 H 1 3.562 0.004 . 2 . . . . 174 SER HB2 . 16685 1 749 . 1 1 73 73 SER HB3 H 1 2.612 0.005 . 2 . . . . 174 SER HB3 . 16685 1 750 . 1 1 73 73 SER CA C 13 56.659 0.052 . 1 . . . . 174 SER CA . 16685 1 751 . 1 1 73 73 SER CB C 13 61.921 0.045 . 1 . . . . 174 SER CB . 16685 1 752 . 1 1 73 73 SER N N 15 103.443 0.037 . 1 . . . . 174 SER N . 16685 1 753 . 1 1 74 74 ASP H H 1 7.555 0.002 . 1 . . . . 175 ASP H . 16685 1 754 . 1 1 74 74 ASP HA H 1 4.639 0.006 . 1 . . . . 175 ASP HA . 16685 1 755 . 1 1 74 74 ASP HB2 H 1 3.021 0.005 . 2 . . . . 175 ASP HB2 . 16685 1 756 . 1 1 74 74 ASP HB3 H 1 2.929 0.012 . 2 . . . . 175 ASP HB3 . 16685 1 757 . 1 1 74 74 ASP CA C 13 54.701 0.070 . 1 . . . . 175 ASP CA . 16685 1 758 . 1 1 74 74 ASP CB C 13 41.746 0.024 . 1 . . . . 175 ASP CB . 16685 1 759 . 1 1 74 74 ASP N N 15 123.105 0.024 . 1 . . . . 175 ASP N . 16685 1 760 . 1 1 75 75 THR H H 1 7.743 0.004 . 1 . . . . 176 THR H . 16685 1 761 . 1 1 75 75 THR HA H 1 4.424 0.005 . 1 . . . . 176 THR HA . 16685 1 762 . 1 1 75 75 THR HB H 1 4.470 0.008 . 1 . . . . 176 THR HB . 16685 1 763 . 1 1 75 75 THR HG21 H 1 1.437 0.010 . 1 . . . . 176 THR HG2 . 16685 1 764 . 1 1 75 75 THR HG22 H 1 1.437 0.010 . 1 . . . . 176 THR HG2 . 16685 1 765 . 1 1 75 75 THR HG23 H 1 1.437 0.010 . 1 . . . . 176 THR HG2 . 16685 1 766 . 1 1 75 75 THR CA C 13 62.467 0.032 . 1 . . . . 176 THR CA . 16685 1 767 . 1 1 75 75 THR CB C 13 69.277 0.036 . 1 . . . . 176 THR CB . 16685 1 768 . 1 1 75 75 THR CG2 C 13 22.403 0.025 . 1 . . . . 176 THR CG2 . 16685 1 769 . 1 1 75 75 THR N N 15 118.815 0.013 . 1 . . . . 176 THR N . 16685 1 770 . 1 1 76 76 ASP H H 1 8.000 0.002 . 1 . . . . 177 ASP H . 16685 1 771 . 1 1 76 76 ASP HA H 1 4.733 0.006 . 1 . . . . 177 ASP HA . 16685 1 772 . 1 1 76 76 ASP HB2 H 1 2.754 0.004 . 2 . . . . 177 ASP HB2 . 16685 1 773 . 1 1 76 76 ASP HB3 H 1 2.278 0.005 . 2 . . . . 177 ASP HB3 . 16685 1 774 . 1 1 76 76 ASP CA C 13 52.533 0.026 . 1 . . . . 177 ASP CA . 16685 1 775 . 1 1 76 76 ASP CB C 13 42.604 0.024 . 1 . . . . 177 ASP CB . 16685 1 776 . 1 1 76 76 ASP N N 15 125.408 0.012 . 1 . . . . 177 ASP N . 16685 1 777 . 1 1 77 77 ARG HA H 1 4.114 0.006 . 1 . . . . 178 ARG HA . 16685 1 778 . 1 1 77 77 ARG HB2 H 1 1.866 0.005 . 2 . . . . 178 ARG HB2 . 16685 1 779 . 1 1 77 77 ARG HB3 H 1 1.866 0.005 . 2 . . . . 178 ARG HB3 . 16685 1 780 . 1 1 77 77 ARG HD2 H 1 3.226 0.004 . 2 . . . . 178 ARG HD2 . 16685 1 781 . 1 1 77 77 ARG HD3 H 1 3.226 0.004 . 2 . . . . 178 ARG HD3 . 16685 1 782 . 1 1 77 77 ARG HG2 H 1 1.665 0.007 . 2 . . . . 178 ARG HG2 . 16685 1 783 . 1 1 77 77 ARG HG3 H 1 1.665 0.007 . 2 . . . . 178 ARG HG3 . 16685 1 784 . 1 1 77 77 ARG CA C 13 58.054 0.032 . 1 . . . . 178 ARG CA . 16685 1 785 . 1 1 77 77 ARG CB C 13 30.011 0.030 . 1 . . . . 178 ARG CB . 16685 1 786 . 1 1 77 77 ARG CD C 13 43.276 0.029 . 1 . . . . 178 ARG CD . 16685 1 787 . 1 1 77 77 ARG CG C 13 27.005 0.048 . 1 . . . . 178 ARG CG . 16685 1 788 . 1 1 78 78 ASN H H 1 8.558 0.004 . 1 . . . . 179 ASN H . 16685 1 789 . 1 1 78 78 ASN HA H 1 4.736 0.006 . 1 . . . . 179 ASN HA . 16685 1 790 . 1 1 78 78 ASN HB2 H 1 2.871 0.016 . 2 . . . . 179 ASN HB2 . 16685 1 791 . 1 1 78 78 ASN HB3 H 1 2.871 0.016 . 2 . . . . 179 ASN HB3 . 16685 1 792 . 1 1 78 78 ASN HD21 H 1 7.735 0.000 . 2 . . . . 179 ASN HD21 . 16685 1 793 . 1 1 78 78 ASN HD22 H 1 6.871 0.000 . 2 . . . . 179 ASN HD22 . 16685 1 794 . 1 1 78 78 ASN CA C 13 53.491 0.069 . 1 . . . . 179 ASN CA . 16685 1 795 . 1 1 78 78 ASN CB C 13 38.699 0.030 . 1 . . . . 179 ASN CB . 16685 1 796 . 1 1 78 78 ASN N N 15 116.998 0.033 . 1 . . . . 179 ASN N . 16685 1 797 . 1 1 78 78 ASN ND2 N 15 114.698 0.006 . 1 . . . . 179 ASN ND2 . 16685 1 798 . 1 1 79 79 ASN H H 1 8.040 0.007 . 1 . . . . 180 ASN H . 16685 1 799 . 1 1 79 79 ASN HA H 1 4.859 0.007 . 1 . . . . 180 ASN HA . 16685 1 800 . 1 1 79 79 ASN HB2 H 1 3.002 0.007 . 2 . . . . 180 ASN HB2 . 16685 1 801 . 1 1 79 79 ASN HB3 H 1 2.408 0.002 . 2 . . . . 180 ASN HB3 . 16685 1 802 . 1 1 79 79 ASN HD21 H 1 7.914 0.000 . 2 . . . . 180 ASN HD21 . 16685 1 803 . 1 1 79 79 ASN HD22 H 1 6.533 0.000 . 2 . . . . 180 ASN HD22 . 16685 1 804 . 1 1 79 79 ASN CA C 13 52.405 0.073 . 1 . . . . 180 ASN CA . 16685 1 805 . 1 1 79 79 ASN CB C 13 38.332 0.031 . 1 . . . . 180 ASN CB . 16685 1 806 . 1 1 79 79 ASN N N 15 123.086 0.062 . 1 . . . . 180 ASN N . 16685 1 807 . 1 1 79 79 ASN ND2 N 15 112.660 0.003 . 1 . . . . 180 ASN ND2 . 16685 1 808 . 1 1 80 80 ARG H H 1 7.566 0.002 . 1 . . . . 181 ARG H . 16685 1 809 . 1 1 80 80 ARG HA H 1 4.893 0.005 . 1 . . . . 181 ARG HA . 16685 1 810 . 1 1 80 80 ARG HB2 H 1 1.744 0.008 . 2 . . . . 181 ARG HB2 . 16685 1 811 . 1 1 80 80 ARG HB3 H 1 1.744 0.008 . 2 . . . . 181 ARG HB3 . 16685 1 812 . 1 1 80 80 ARG HD2 H 1 3.225 0.003 . 2 . . . . 181 ARG HD2 . 16685 1 813 . 1 1 80 80 ARG HD3 H 1 3.225 0.003 . 2 . . . . 181 ARG HD3 . 16685 1 814 . 1 1 80 80 ARG HG2 H 1 1.688 0.011 . 2 . . . . 181 ARG HG2 . 16685 1 815 . 1 1 80 80 ARG HG3 H 1 1.688 0.011 . 2 . . . . 181 ARG HG3 . 16685 1 816 . 1 1 80 80 ARG CA C 13 55.518 0.056 . 1 . . . . 181 ARG CA . 16685 1 817 . 1 1 80 80 ARG CB C 13 32.640 0.066 . 1 . . . . 181 ARG CB . 16685 1 818 . 1 1 80 80 ARG CD C 13 44.157 0.026 . 1 . . . . 181 ARG CD . 16685 1 819 . 1 1 80 80 ARG CG C 13 27.657 0.036 . 1 . . . . 181 ARG CG . 16685 1 820 . 1 1 80 80 ARG N N 15 121.304 0.006 . 1 . . . . 181 ARG N . 16685 1 821 . 1 1 81 81 VAL H H 1 7.860 0.002 . 1 . . . . 182 VAL H . 16685 1 822 . 1 1 81 81 VAL HA H 1 4.247 0.005 . 1 . . . . 182 VAL HA . 16685 1 823 . 1 1 81 81 VAL HB H 1 1.786 0.005 . 1 . . . . 182 VAL HB . 16685 1 824 . 1 1 81 81 VAL HG11 H 1 0.789 0.004 . 2 . . . . 182 VAL HG1 . 16685 1 825 . 1 1 81 81 VAL HG12 H 1 0.789 0.004 . 2 . . . . 182 VAL HG1 . 16685 1 826 . 1 1 81 81 VAL HG13 H 1 0.789 0.004 . 2 . . . . 182 VAL HG1 . 16685 1 827 . 1 1 81 81 VAL HG21 H 1 0.716 0.006 . 2 . . . . 182 VAL HG2 . 16685 1 828 . 1 1 81 81 VAL HG22 H 1 0.716 0.006 . 2 . . . . 182 VAL HG2 . 16685 1 829 . 1 1 81 81 VAL HG23 H 1 0.716 0.006 . 2 . . . . 182 VAL HG2 . 16685 1 830 . 1 1 81 81 VAL CA C 13 61.569 0.017 . 1 . . . . 182 VAL CA . 16685 1 831 . 1 1 81 81 VAL CB C 13 35.723 0.058 . 1 . . . . 182 VAL CB . 16685 1 832 . 1 1 81 81 VAL CG1 C 13 20.867 0.027 . 2 . . . . 182 VAL CG1 . 16685 1 833 . 1 1 81 81 VAL CG2 C 13 21.152 0.036 . 2 . . . . 182 VAL CG2 . 16685 1 834 . 1 1 81 81 VAL N N 15 121.533 0.030 . 1 . . . . 182 VAL N . 16685 1 835 . 1 1 82 82 ALA H H 1 8.744 0.001 . 1 . . . . 183 ALA H . 16685 1 836 . 1 1 82 82 ALA HA H 1 4.813 0.013 . 1 . . . . 183 ALA HA . 16685 1 837 . 1 1 82 82 ALA HB1 H 1 1.536 0.007 . 1 . . . . 183 ALA HB . 16685 1 838 . 1 1 82 82 ALA HB2 H 1 1.536 0.007 . 1 . . . . 183 ALA HB . 16685 1 839 . 1 1 82 82 ALA HB3 H 1 1.536 0.007 . 1 . . . . 183 ALA HB . 16685 1 840 . 1 1 82 82 ALA CA C 13 53.146 0.077 . 1 . . . . 183 ALA CA . 16685 1 841 . 1 1 82 82 ALA CB C 13 19.115 0.060 . 1 . . . . 183 ALA CB . 16685 1 842 . 1 1 82 82 ALA N N 15 133.969 0.011 . 1 . . . . 183 ALA N . 16685 1 843 . 1 1 83 83 THR H H 1 8.871 0.003 . 1 . . . . 184 THR H . 16685 1 844 . 1 1 83 83 THR HA H 1 5.403 0.009 . 1 . . . . 184 THR HA . 16685 1 845 . 1 1 83 83 THR HB H 1 4.385 0.007 . 1 . . . . 184 THR HB . 16685 1 846 . 1 1 83 83 THR HG21 H 1 0.941 0.011 . 1 . . . . 184 THR HG2 . 16685 1 847 . 1 1 83 83 THR HG22 H 1 0.941 0.011 . 1 . . . . 184 THR HG2 . 16685 1 848 . 1 1 83 83 THR HG23 H 1 0.941 0.011 . 1 . . . . 184 THR HG2 . 16685 1 849 . 1 1 83 83 THR CA C 13 59.234 0.040 . 1 . . . . 184 THR CA . 16685 1 850 . 1 1 83 83 THR CB C 13 72.166 0.046 . 1 . . . . 184 THR CB . 16685 1 851 . 1 1 83 83 THR CG2 C 13 23.191 0.010 . 1 . . . . 184 THR CG2 . 16685 1 852 . 1 1 83 83 THR N N 15 115.155 0.020 . 1 . . . . 184 THR N . 16685 1 853 . 1 1 84 84 LYS H H 1 9.348 0.002 . 1 . . . . 185 LYS H . 16685 1 854 . 1 1 84 84 LYS HA H 1 5.084 0.007 . 1 . . . . 185 LYS HA . 16685 1 855 . 1 1 84 84 LYS HB2 H 1 1.748 0.008 . 2 . . . . 185 LYS HB2 . 16685 1 856 . 1 1 84 84 LYS HB3 H 1 1.671 0.012 . 2 . . . . 185 LYS HB3 . 16685 1 857 . 1 1 84 84 LYS HD2 H 1 1.753 0.004 . 2 . . . . 185 LYS HD2 . 16685 1 858 . 1 1 84 84 LYS HD3 H 1 1.753 0.004 . 2 . . . . 185 LYS HD3 . 16685 1 859 . 1 1 84 84 LYS HE2 H 1 2.964 0.015 . 2 . . . . 185 LYS HE2 . 16685 1 860 . 1 1 84 84 LYS HE3 H 1 2.964 0.015 . 2 . . . . 185 LYS HE3 . 16685 1 861 . 1 1 84 84 LYS HG2 H 1 1.375 0.003 . 2 . . . . 185 LYS HG2 . 16685 1 862 . 1 1 84 84 LYS HG3 H 1 1.249 0.006 . 2 . . . . 185 LYS HG3 . 16685 1 863 . 1 1 84 84 LYS CA C 13 55.027 0.064 . 1 . . . . 185 LYS CA . 16685 1 864 . 1 1 84 84 LYS CB C 13 36.212 0.049 . 1 . . . . 185 LYS CB . 16685 1 865 . 1 1 84 84 LYS CD C 13 30.114 0.007 . 1 . . . . 185 LYS CD . 16685 1 866 . 1 1 84 84 LYS CE C 13 41.686 0.008 . 1 . . . . 185 LYS CE . 16685 1 867 . 1 1 84 84 LYS CG C 13 23.999 0.066 . 1 . . . . 185 LYS CG . 16685 1 868 . 1 1 84 84 LYS N N 15 121.521 0.020 . 1 . . . . 185 LYS N . 16685 1 869 . 1 1 85 85 ILE H H 1 7.829 0.002 . 1 . . . . 186 ILE H . 16685 1 870 . 1 1 85 85 ILE HA H 1 4.699 0.015 . 1 . . . . 186 ILE HA . 16685 1 871 . 1 1 85 85 ILE HB H 1 1.203 0.007 . 1 . . . . 186 ILE HB . 16685 1 872 . 1 1 85 85 ILE HD11 H 1 0.514 0.010 . 1 . . . . 186 ILE HD1 . 16685 1 873 . 1 1 85 85 ILE HD12 H 1 0.514 0.010 . 1 . . . . 186 ILE HD1 . 16685 1 874 . 1 1 85 85 ILE HD13 H 1 0.514 0.010 . 1 . . . . 186 ILE HD1 . 16685 1 875 . 1 1 85 85 ILE HG12 H 1 1.269 0.004 . 2 . . . . 186 ILE HG12 . 16685 1 876 . 1 1 85 85 ILE HG13 H 1 0.636 0.004 . 2 . . . . 186 ILE HG13 . 16685 1 877 . 1 1 85 85 ILE HG21 H 1 0.764 0.003 . 1 . . . . 186 ILE HG2 . 16685 1 878 . 1 1 85 85 ILE HG22 H 1 0.764 0.003 . 1 . . . . 186 ILE HG2 . 16685 1 879 . 1 1 85 85 ILE HG23 H 1 0.764 0.003 . 1 . . . . 186 ILE HG2 . 16685 1 880 . 1 1 85 85 ILE CA C 13 60.402 0.021 . 1 . . . . 186 ILE CA . 16685 1 881 . 1 1 85 85 ILE CB C 13 40.388 0.073 . 1 . . . . 186 ILE CB . 16685 1 882 . 1 1 85 85 ILE CD1 C 13 15.478 0.018 . 1 . . . . 186 ILE CD1 . 16685 1 883 . 1 1 85 85 ILE CG1 C 13 27.921 0.079 . 1 . . . . 186 ILE CG1 . 16685 1 884 . 1 1 85 85 ILE CG2 C 13 19.641 0.046 . 1 . . . . 186 ILE CG2 . 16685 1 885 . 1 1 85 85 ILE N N 15 124.706 0.013 . 1 . . . . 186 ILE N . 16685 1 886 . 1 1 86 86 SER H H 1 9.286 0.002 . 1 . . . . 187 SER H . 16685 1 887 . 1 1 86 86 SER HA H 1 4.902 0.006 . 1 . . . . 187 SER HA . 16685 1 888 . 1 1 86 86 SER HB2 H 1 3.837 0.006 . 2 . . . . 187 SER HB2 . 16685 1 889 . 1 1 86 86 SER HB3 H 1 3.691 0.005 . 2 . . . . 187 SER HB3 . 16685 1 890 . 1 1 86 86 SER CA C 13 58.333 0.032 . 1 . . . . 187 SER CA . 16685 1 891 . 1 1 86 86 SER CB C 13 65.626 0.039 . 1 . . . . 187 SER CB . 16685 1 892 . 1 1 86 86 SER N N 15 124.819 0.028 . 1 . . . . 187 SER N . 16685 1 893 . 1 1 87 87 GLY H H 1 7.958 0.002 . 1 . . . . 188 GLY H . 16685 1 894 . 1 1 87 87 GLY HA2 H 1 4.784 0.006 . 2 . . . . 188 GLY HA2 . 16685 1 895 . 1 1 87 87 GLY HA3 H 1 3.878 0.002 . 2 . . . . 188 GLY HA3 . 16685 1 896 . 1 1 87 87 GLY CA C 13 44.458 0.048 . 1 . . . . 188 GLY CA . 16685 1 897 . 1 1 87 87 GLY N N 15 110.891 0.015 . 1 . . . . 188 GLY N . 16685 1 898 . 1 1 89 89 LYS HA H 1 4.485 0.006 . 1 . . . . 190 LYS HA . 16685 1 899 . 1 1 89 89 LYS HB2 H 1 2.012 0.005 . 2 . . . . 190 LYS HB2 . 16685 1 900 . 1 1 89 89 LYS HB3 H 1 1.662 0.003 . 2 . . . . 190 LYS HB3 . 16685 1 901 . 1 1 89 89 LYS HD2 H 1 1.698 0.010 . 2 . . . . 190 LYS HD2 . 16685 1 902 . 1 1 89 89 LYS HD3 H 1 1.698 0.010 . 2 . . . . 190 LYS HD3 . 16685 1 903 . 1 1 89 89 LYS HE2 H 1 3.018 0.026 . 2 . . . . 190 LYS HE2 . 16685 1 904 . 1 1 89 89 LYS HE3 H 1 3.018 0.026 . 2 . . . . 190 LYS HE3 . 16685 1 905 . 1 1 89 89 LYS HG2 H 1 1.415 0.018 . 2 . . . . 190 LYS HG2 . 16685 1 906 . 1 1 89 89 LYS HG3 H 1 1.415 0.018 . 2 . . . . 190 LYS HG3 . 16685 1 907 . 1 1 89 89 LYS CA C 13 55.302 0.075 . 1 . . . . 190 LYS CA . 16685 1 908 . 1 1 89 89 LYS CB C 13 32.248 0.053 . 1 . . . . 190 LYS CB . 16685 1 909 . 1 1 89 89 LYS CD C 13 28.866 0.003 . 1 . . . . 190 LYS CD . 16685 1 910 . 1 1 89 89 LYS CE C 13 42.023 0.037 . 1 . . . . 190 LYS CE . 16685 1 911 . 1 1 89 89 LYS CG C 13 24.915 0.005 . 1 . . . . 190 LYS CG . 16685 1 912 . 1 1 90 90 GLY H H 1 7.491 0.002 . 1 . . . . 191 GLY H . 16685 1 913 . 1 1 90 90 GLY HA2 H 1 4.460 0.002 . 2 . . . . 191 GLY HA2 . 16685 1 914 . 1 1 90 90 GLY HA3 H 1 3.801 0.004 . 2 . . . . 191 GLY HA3 . 16685 1 915 . 1 1 90 90 GLY CA C 13 44.315 0.008 . 1 . . . . 191 GLY CA . 16685 1 916 . 1 1 90 90 GLY N N 15 108.485 0.017 . 1 . . . . 191 GLY N . 16685 1 917 . 1 1 91 91 SER HA H 1 4.508 0.006 . 1 . . . . 192 SER HA . 16685 1 918 . 1 1 91 91 SER HB2 H 1 3.846 0.021 . 2 . . . . 192 SER HB2 . 16685 1 919 . 1 1 91 91 SER HB3 H 1 3.846 0.021 . 2 . . . . 192 SER HB3 . 16685 1 920 . 1 1 91 91 SER CA C 13 59.170 0.040 . 1 . . . . 192 SER CA . 16685 1 921 . 1 1 91 91 SER CB C 13 63.813 0.056 . 1 . . . . 192 SER CB . 16685 1 922 . 1 1 92 92 LYS H H 1 9.157 0.003 . 1 . . . . 193 LYS H . 16685 1 923 . 1 1 92 92 LYS HA H 1 4.427 0.009 . 1 . . . . 193 LYS HA . 16685 1 924 . 1 1 92 92 LYS HB2 H 1 1.647 0.015 . 2 . . . . 193 LYS HB2 . 16685 1 925 . 1 1 92 92 LYS HB3 H 1 1.308 0.006 . 2 . . . . 193 LYS HB3 . 16685 1 926 . 1 1 92 92 LYS HD2 H 1 1.562 0.005 . 2 . . . . 193 LYS HD2 . 16685 1 927 . 1 1 92 92 LYS HD3 H 1 1.371 0.005 . 2 . . . . 193 LYS HD3 . 16685 1 928 . 1 1 92 92 LYS HE2 H 1 2.879 0.007 . 2 . . . . 193 LYS HE2 . 16685 1 929 . 1 1 92 92 LYS HE3 H 1 2.705 0.010 . 2 . . . . 193 LYS HE3 . 16685 1 930 . 1 1 92 92 LYS HG2 H 1 1.112 0.009 . 2 . . . . 193 LYS HG2 . 16685 1 931 . 1 1 92 92 LYS HG3 H 1 1.112 0.009 . 2 . . . . 193 LYS HG3 . 16685 1 932 . 1 1 92 92 LYS CA C 13 56.001 0.057 . 1 . . . . 193 LYS CA . 16685 1 933 . 1 1 92 92 LYS CB C 13 34.753 0.047 . 1 . . . . 193 LYS CB . 16685 1 934 . 1 1 92 92 LYS CD C 13 29.579 0.047 . 1 . . . . 193 LYS CD . 16685 1 935 . 1 1 92 92 LYS CE C 13 42.199 0.058 . 1 . . . . 193 LYS CE . 16685 1 936 . 1 1 92 92 LYS CG C 13 25.047 0.089 . 1 . . . . 193 LYS CG . 16685 1 937 . 1 1 92 92 LYS N N 15 121.103 0.014 . 1 . . . . 193 LYS N . 16685 1 938 . 1 1 93 93 GLY H H 1 7.403 0.003 . 1 . . . . 194 GLY H . 16685 1 939 . 1 1 93 93 GLY HA2 H 1 4.768 0.011 . 2 . . . . 194 GLY HA2 . 16685 1 940 . 1 1 93 93 GLY HA3 H 1 3.333 0.005 . 2 . . . . 194 GLY HA3 . 16685 1 941 . 1 1 93 93 GLY CA C 13 44.610 0.058 . 1 . . . . 194 GLY CA . 16685 1 942 . 1 1 93 93 GLY N N 15 106.496 0.013 . 1 . . . . 194 GLY N . 16685 1 943 . 1 1 94 94 TYR H H 1 8.792 0.002 . 1 . . . . 195 TYR H . 16685 1 944 . 1 1 94 94 TYR HA H 1 5.469 0.003 . 1 . . . . 195 TYR HA . 16685 1 945 . 1 1 94 94 TYR HB2 H 1 3.540 0.003 . 2 . . . . 195 TYR HB2 . 16685 1 946 . 1 1 94 94 TYR HB3 H 1 2.590 0.005 . 2 . . . . 195 TYR HB3 . 16685 1 947 . 1 1 94 94 TYR HD1 H 1 7.278 0.015 . 3 . . . . 195 TYR HD1 . 16685 1 948 . 1 1 94 94 TYR HD2 H 1 7.278 0.015 . 3 . . . . 195 TYR HD2 . 16685 1 949 . 1 1 94 94 TYR HE1 H 1 6.825 0.017 . 3 . . . . 195 TYR HE1 . 16685 1 950 . 1 1 94 94 TYR HE2 H 1 6.825 0.017 . 3 . . . . 195 TYR HE2 . 16685 1 951 . 1 1 94 94 TYR CA C 13 57.008 0.049 . 1 . . . . 195 TYR CA . 16685 1 952 . 1 1 94 94 TYR CB C 13 42.664 0.061 . 1 . . . . 195 TYR CB . 16685 1 953 . 1 1 94 94 TYR CD1 C 13 133.204 0.059 . 3 . . . . 195 TYR CD1 . 16685 1 954 . 1 1 94 94 TYR CE1 C 13 117.744 0.138 . 3 . . . . 195 TYR CE1 . 16685 1 955 . 1 1 94 94 TYR N N 15 118.956 0.006 . 1 . . . . 195 TYR N . 16685 1 956 . 1 1 95 95 GLY H H 1 8.559 0.003 . 1 . . . . 196 GLY H . 16685 1 957 . 1 1 95 95 GLY HA2 H 1 4.918 0.005 . 2 . . . . 196 GLY HA2 . 16685 1 958 . 1 1 95 95 GLY HA3 H 1 3.656 0.005 . 2 . . . . 196 GLY HA3 . 16685 1 959 . 1 1 95 95 GLY CA C 13 45.299 0.042 . 1 . . . . 196 GLY CA . 16685 1 960 . 1 1 95 95 GLY N N 15 112.232 0.033 . 1 . . . . 196 GLY N . 16685 1 961 . 1 1 96 96 LEU H H 1 8.595 0.003 . 1 . . . . 197 LEU H . 16685 1 962 . 1 1 96 96 LEU HA H 1 4.986 0.008 . 1 . . . . 197 LEU HA . 16685 1 963 . 1 1 96 96 LEU HB2 H 1 1.716 0.007 . 2 . . . . 197 LEU HB2 . 16685 1 964 . 1 1 96 96 LEU HB3 H 1 1.260 0.002 . 2 . . . . 197 LEU HB3 . 16685 1 965 . 1 1 96 96 LEU HD11 H 1 0.815 0.003 . 2 . . . . 197 LEU HD1 . 16685 1 966 . 1 1 96 96 LEU HD12 H 1 0.815 0.003 . 2 . . . . 197 LEU HD1 . 16685 1 967 . 1 1 96 96 LEU HD13 H 1 0.815 0.003 . 2 . . . . 197 LEU HD1 . 16685 1 968 . 1 1 96 96 LEU HD21 H 1 0.786 0.006 . 2 . . . . 197 LEU HD2 . 16685 1 969 . 1 1 96 96 LEU HD22 H 1 0.786 0.006 . 2 . . . . 197 LEU HD2 . 16685 1 970 . 1 1 96 96 LEU HD23 H 1 0.786 0.006 . 2 . . . . 197 LEU HD2 . 16685 1 971 . 1 1 96 96 LEU HG H 1 1.262 0.004 . 1 . . . . 197 LEU HG . 16685 1 972 . 1 1 96 96 LEU CA C 13 54.441 0.060 . 1 . . . . 197 LEU CA . 16685 1 973 . 1 1 96 96 LEU CB C 13 46.253 0.047 . 1 . . . . 197 LEU CB . 16685 1 974 . 1 1 96 96 LEU CD1 C 13 25.293 0.052 . 2 . . . . 197 LEU CD1 . 16685 1 975 . 1 1 96 96 LEU CD2 C 13 23.340 0.141 . 2 . . . . 197 LEU CD2 . 16685 1 976 . 1 1 96 96 LEU CG C 13 26.682 0.089 . 1 . . . . 197 LEU CG . 16685 1 977 . 1 1 96 96 LEU N N 15 123.155 0.024 . 1 . . . . 197 LEU N . 16685 1 978 . 1 1 97 97 ILE H H 1 9.408 0.002 . 1 . . . . 198 ILE H . 16685 1 979 . 1 1 97 97 ILE HA H 1 4.552 0.009 . 1 . . . . 198 ILE HA . 16685 1 980 . 1 1 97 97 ILE HB H 1 2.033 0.003 . 1 . . . . 198 ILE HB . 16685 1 981 . 1 1 97 97 ILE HD11 H 1 0.742 0.007 . 1 . . . . 198 ILE HD1 . 16685 1 982 . 1 1 97 97 ILE HD12 H 1 0.742 0.007 . 1 . . . . 198 ILE HD1 . 16685 1 983 . 1 1 97 97 ILE HD13 H 1 0.742 0.007 . 1 . . . . 198 ILE HD1 . 16685 1 984 . 1 1 97 97 ILE HG12 H 1 1.479 0.005 . 2 . . . . 198 ILE HG12 . 16685 1 985 . 1 1 97 97 ILE HG13 H 1 1.117 0.013 . 2 . . . . 198 ILE HG13 . 16685 1 986 . 1 1 97 97 ILE HG21 H 1 1.086 0.011 . 1 . . . . 198 ILE HG2 . 16685 1 987 . 1 1 97 97 ILE HG22 H 1 1.086 0.011 . 1 . . . . 198 ILE HG2 . 16685 1 988 . 1 1 97 97 ILE HG23 H 1 1.086 0.011 . 1 . . . . 198 ILE HG2 . 16685 1 989 . 1 1 97 97 ILE CA C 13 60.931 0.034 . 1 . . . . 198 ILE CA . 16685 1 990 . 1 1 97 97 ILE CB C 13 37.389 0.067 . 1 . . . . 198 ILE CB . 16685 1 991 . 1 1 97 97 ILE CD1 C 13 12.922 0.024 . 1 . . . . 198 ILE CD1 . 16685 1 992 . 1 1 97 97 ILE CG1 C 13 28.111 0.047 . 1 . . . . 198 ILE CG1 . 16685 1 993 . 1 1 97 97 ILE CG2 C 13 18.577 0.010 . 1 . . . . 198 ILE CG2 . 16685 1 994 . 1 1 97 97 ILE N N 15 129.161 0.022 . 1 . . . . 198 ILE N . 16685 1 995 . 1 1 98 98 GLU H H 1 8.573 0.003 . 1 . . . . 199 GLU H . 16685 1 996 . 1 1 98 98 GLU HA H 1 4.562 0.007 . 1 . . . . 199 GLU HA . 16685 1 997 . 1 1 98 98 GLU HB2 H 1 2.056 0.015 . 2 . . . . 199 GLU HB2 . 16685 1 998 . 1 1 98 98 GLU HB3 H 1 1.794 0.009 . 2 . . . . 199 GLU HB3 . 16685 1 999 . 1 1 98 98 GLU HG2 H 1 2.179 0.002 . 2 . . . . 199 GLU HG2 . 16685 1 1000 . 1 1 98 98 GLU HG3 H 1 2.038 0.003 . 2 . . . . 199 GLU HG3 . 16685 1 1001 . 1 1 98 98 GLU CA C 13 55.778 0.050 . 1 . . . . 199 GLU CA . 16685 1 1002 . 1 1 98 98 GLU CB C 13 31.785 0.058 . 1 . . . . 199 GLU CB . 16685 1 1003 . 1 1 98 98 GLU CG C 13 36.646 0.039 . 1 . . . . 199 GLU CG . 16685 1 1004 . 1 1 98 98 GLU N N 15 126.730 0.036 . 1 . . . . 199 GLU N . 16685 1 1005 . 1 1 99 99 GLY H H 1 7.587 0.003 . 1 . . . . 200 GLY H . 16685 1 1006 . 1 1 99 99 GLY HA2 H 1 4.264 0.011 . 2 . . . . 200 GLY HA2 . 16685 1 1007 . 1 1 99 99 GLY HA3 H 1 4.103 0.006 . 2 . . . . 200 GLY HA3 . 16685 1 1008 . 1 1 99 99 GLY CA C 13 45.355 0.037 . 1 . . . . 200 GLY CA . 16685 1 1009 . 1 1 99 99 GLY N N 15 107.744 0.012 . 1 . . . . 200 GLY N . 16685 1 1010 . 1 1 100 100 TYR H H 1 8.314 0.003 . 1 . . . . 201 TYR H . 16685 1 1011 . 1 1 100 100 TYR HA H 1 4.817 0.006 . 1 . . . . 201 TYR HA . 16685 1 1012 . 1 1 100 100 TYR HB2 H 1 3.004 0.005 . 2 . . . . 201 TYR HB2 . 16685 1 1013 . 1 1 100 100 TYR HB3 H 1 2.678 0.002 . 2 . . . . 201 TYR HB3 . 16685 1 1014 . 1 1 100 100 TYR HD1 H 1 6.798 0.015 . 3 . . . . 201 TYR HD1 . 16685 1 1015 . 1 1 100 100 TYR HD2 H 1 6.798 0.015 . 3 . . . . 201 TYR HD2 . 16685 1 1016 . 1 1 100 100 TYR HE1 H 1 6.545 0.015 . 3 . . . . 201 TYR HE1 . 16685 1 1017 . 1 1 100 100 TYR HE2 H 1 6.545 0.015 . 3 . . . . 201 TYR HE2 . 16685 1 1018 . 1 1 100 100 TYR CA C 13 57.326 0.065 . 1 . . . . 201 TYR CA . 16685 1 1019 . 1 1 100 100 TYR CB C 13 41.510 0.060 . 1 . . . . 201 TYR CB . 16685 1 1020 . 1 1 100 100 TYR CD1 C 13 132.875 0.055 . 3 . . . . 201 TYR CD1 . 16685 1 1021 . 1 1 100 100 TYR CE1 C 13 116.691 0.011 . 3 . . . . 201 TYR CE1 . 16685 1 1022 . 1 1 100 100 TYR N N 15 121.710 0.018 . 1 . . . . 201 TYR N . 16685 1 1023 . 1 1 101 101 ASP H H 1 8.476 0.003 . 1 . . . . 202 ASP H . 16685 1 1024 . 1 1 101 101 ASP HA H 1 4.758 0.004 . 1 . . . . 202 ASP HA . 16685 1 1025 . 1 1 101 101 ASP CA C 13 52.592 0.069 . 1 . . . . 202 ASP CA . 16685 1 1026 . 1 1 101 101 ASP CB C 13 42.673 0.020 . 1 . . . . 202 ASP CB . 16685 1 1027 . 1 1 101 101 ASP N N 15 129.186 0.021 . 1 . . . . 202 ASP N . 16685 1 1028 . 1 1 102 102 LYS H H 1 8.629 0.002 . 1 . . . . 203 LYS H . 16685 1 1029 . 1 1 102 102 LYS HA H 1 3.901 0.008 . 1 . . . . 203 LYS HA . 16685 1 1030 . 1 1 102 102 LYS HB2 H 1 1.989 0.007 . 2 . . . . 203 LYS HB2 . 16685 1 1031 . 1 1 102 102 LYS HB3 H 1 1.877 0.003 . 2 . . . . 203 LYS HB3 . 16685 1 1032 . 1 1 102 102 LYS HD2 H 1 1.742 0.003 . 2 . . . . 203 LYS HD2 . 16685 1 1033 . 1 1 102 102 LYS HD3 H 1 1.742 0.003 . 2 . . . . 203 LYS HD3 . 16685 1 1034 . 1 1 102 102 LYS HE2 H 1 3.020 0.009 . 2 . . . . 203 LYS HE2 . 16685 1 1035 . 1 1 102 102 LYS HE3 H 1 3.020 0.009 . 2 . . . . 203 LYS HE3 . 16685 1 1036 . 1 1 102 102 LYS HG2 H 1 1.535 0.010 . 2 . . . . 203 LYS HG2 . 16685 1 1037 . 1 1 102 102 LYS HG3 H 1 1.535 0.010 . 2 . . . . 203 LYS HG3 . 16685 1 1038 . 1 1 102 102 LYS CA C 13 58.691 0.052 . 1 . . . . 203 LYS CA . 16685 1 1039 . 1 1 102 102 LYS CB C 13 32.549 0.037 . 1 . . . . 203 LYS CB . 16685 1 1040 . 1 1 102 102 LYS CD C 13 29.634 0.018 . 1 . . . . 203 LYS CD . 16685 1 1041 . 1 1 102 102 LYS CE C 13 42.009 0.036 . 1 . . . . 203 LYS CE . 16685 1 1042 . 1 1 102 102 LYS CG C 13 24.387 0.026 . 1 . . . . 203 LYS CG . 16685 1 1043 . 1 1 102 102 LYS N N 15 126.455 0.014 . 1 . . . . 203 LYS N . 16685 1 1044 . 1 1 103 103 GLU H H 1 8.113 0.002 . 1 . . . . 204 GLU H . 16685 1 1045 . 1 1 103 103 GLU HA H 1 4.135 0.010 . 1 . . . . 204 GLU HA . 16685 1 1046 . 1 1 103 103 GLU HB2 H 1 2.111 0.004 . 2 . . . . 204 GLU HB2 . 16685 1 1047 . 1 1 103 103 GLU HB3 H 1 2.044 0.010 . 2 . . . . 204 GLU HB3 . 16685 1 1048 . 1 1 103 103 GLU HG2 H 1 2.240 0.009 . 2 . . . . 204 GLU HG2 . 16685 1 1049 . 1 1 103 103 GLU HG3 H 1 2.240 0.009 . 2 . . . . 204 GLU HG3 . 16685 1 1050 . 1 1 103 103 GLU CA C 13 58.732 0.055 . 1 . . . . 204 GLU CA . 16685 1 1051 . 1 1 103 103 GLU CB C 13 29.454 0.070 . 1 . . . . 204 GLU CB . 16685 1 1052 . 1 1 103 103 GLU CG C 13 36.587 0.027 . 1 . . . . 204 GLU CG . 16685 1 1053 . 1 1 103 103 GLU N N 15 121.112 0.012 . 1 . . . . 204 GLU N . 16685 1 1054 . 1 1 104 104 LYS H H 1 7.919 0.003 . 1 . . . . 205 LYS H . 16685 1 1055 . 1 1 104 104 LYS HA H 1 3.945 0.006 . 1 . . . . 205 LYS HA . 16685 1 1056 . 1 1 104 104 LYS HB2 H 1 1.479 0.004 . 2 . . . . 205 LYS HB2 . 16685 1 1057 . 1 1 104 104 LYS HB3 H 1 1.029 0.008 . 2 . . . . 205 LYS HB3 . 16685 1 1058 . 1 1 104 104 LYS HD2 H 1 0.895 0.004 . 2 . . . . 205 LYS HD2 . 16685 1 1059 . 1 1 104 104 LYS HD3 H 1 0.895 0.004 . 2 . . . . 205 LYS HD3 . 16685 1 1060 . 1 1 104 104 LYS HE2 H 1 2.488 0.003 . 2 . . . . 205 LYS HE2 . 16685 1 1061 . 1 1 104 104 LYS HE3 H 1 2.488 0.003 . 2 . . . . 205 LYS HE3 . 16685 1 1062 . 1 1 104 104 LYS HG2 H 1 1.187 0.006 . 2 . . . . 205 LYS HG2 . 16685 1 1063 . 1 1 104 104 LYS HG3 H 1 1.046 0.007 . 2 . . . . 205 LYS HG3 . 16685 1 1064 . 1 1 104 104 LYS CA C 13 56.552 0.072 . 1 . . . . 205 LYS CA . 16685 1 1065 . 1 1 104 104 LYS CB C 13 33.352 0.042 . 1 . . . . 205 LYS CB . 16685 1 1066 . 1 1 104 104 LYS CD C 13 28.862 0.024 . 1 . . . . 205 LYS CD . 16685 1 1067 . 1 1 104 104 LYS CE C 13 41.621 0.029 . 1 . . . . 205 LYS CE . 16685 1 1068 . 1 1 104 104 LYS CG C 13 25.072 0.010 . 1 . . . . 205 LYS CG . 16685 1 1069 . 1 1 104 104 LYS N N 15 117.817 0.019 . 1 . . . . 205 LYS N . 16685 1 1070 . 1 1 105 105 LYS H H 1 7.968 0.004 . 1 . . . . 206 LYS H . 16685 1 1071 . 1 1 105 105 LYS HA H 1 3.664 0.004 . 1 . . . . 206 LYS HA . 16685 1 1072 . 1 1 105 105 LYS HB2 H 1 2.199 0.005 . 2 . . . . 206 LYS HB2 . 16685 1 1073 . 1 1 105 105 LYS HB3 H 1 1.867 0.005 . 2 . . . . 206 LYS HB3 . 16685 1 1074 . 1 1 105 105 LYS HD2 H 1 1.723 0.003 . 2 . . . . 206 LYS HD2 . 16685 1 1075 . 1 1 105 105 LYS HD3 H 1 1.723 0.003 . 2 . . . . 206 LYS HD3 . 16685 1 1076 . 1 1 105 105 LYS HE2 H 1 3.069 0.004 . 2 . . . . 206 LYS HE2 . 16685 1 1077 . 1 1 105 105 LYS HE3 H 1 3.069 0.004 . 2 . . . . 206 LYS HE3 . 16685 1 1078 . 1 1 105 105 LYS HG2 H 1 1.347 0.008 . 2 . . . . 206 LYS HG2 . 16685 1 1079 . 1 1 105 105 LYS HG3 H 1 1.347 0.008 . 2 . . . . 206 LYS HG3 . 16685 1 1080 . 1 1 105 105 LYS CA C 13 56.980 0.057 . 1 . . . . 206 LYS CA . 16685 1 1081 . 1 1 105 105 LYS CB C 13 28.601 0.051 . 1 . . . . 206 LYS CB . 16685 1 1082 . 1 1 105 105 LYS CD C 13 29.609 0.017 . 1 . . . . 206 LYS CD . 16685 1 1083 . 1 1 105 105 LYS CE C 13 42.474 0.013 . 1 . . . . 206 LYS CE . 16685 1 1084 . 1 1 105 105 LYS CG C 13 24.738 0.054 . 1 . . . . 206 LYS CG . 16685 1 1085 . 1 1 105 105 LYS N N 15 117.156 0.026 . 1 . . . . 206 LYS N . 16685 1 1086 . 1 1 106 106 ARG H H 1 7.008 0.004 . 1 . . . . 207 ARG H . 16685 1 1087 . 1 1 106 106 ARG HA H 1 4.908 0.007 . 1 . . . . 207 ARG HA . 16685 1 1088 . 1 1 106 106 ARG HB2 H 1 1.785 0.010 . 2 . . . . 207 ARG HB2 . 16685 1 1089 . 1 1 106 106 ARG HB3 H 1 1.388 0.007 . 2 . . . . 207 ARG HB3 . 16685 1 1090 . 1 1 106 106 ARG HD2 H 1 3.367 0.006 . 2 . . . . 207 ARG HD2 . 16685 1 1091 . 1 1 106 106 ARG HD3 H 1 2.733 0.006 . 2 . . . . 207 ARG HD3 . 16685 1 1092 . 1 1 106 106 ARG HG2 H 1 1.676 0.006 . 2 . . . . 207 ARG HG2 . 16685 1 1093 . 1 1 106 106 ARG HG3 H 1 1.417 0.010 . 2 . . . . 207 ARG HG3 . 16685 1 1094 . 1 1 106 106 ARG CA C 13 52.104 0.102 . 1 . . . . 207 ARG CA . 16685 1 1095 . 1 1 106 106 ARG CB C 13 35.937 0.038 . 1 . . . . 207 ARG CB . 16685 1 1096 . 1 1 106 106 ARG CD C 13 42.493 0.054 . 1 . . . . 207 ARG CD . 16685 1 1097 . 1 1 106 106 ARG CG C 13 25.761 0.028 . 1 . . . . 207 ARG CG . 16685 1 1098 . 1 1 106 106 ARG N N 15 115.961 0.017 . 1 . . . . 207 ARG N . 16685 1 1099 . 1 1 107 107 LEU H H 1 9.252 0.005 . 1 . . . . 208 LEU H . 16685 1 1100 . 1 1 107 107 LEU HA H 1 4.899 0.007 . 1 . . . . 208 LEU HA . 16685 1 1101 . 1 1 107 107 LEU HB2 H 1 1.808 0.017 . 2 . . . . 208 LEU HB2 . 16685 1 1102 . 1 1 107 107 LEU HB3 H 1 1.561 0.007 . 2 . . . . 208 LEU HB3 . 16685 1 1103 . 1 1 107 107 LEU HD11 H 1 1.890 0.000 . 2 . . . . 208 LEU HD1 . 16685 1 1104 . 1 1 107 107 LEU HD12 H 1 1.890 0.000 . 2 . . . . 208 LEU HD1 . 16685 1 1105 . 1 1 107 107 LEU HD13 H 1 1.890 0.000 . 2 . . . . 208 LEU HD1 . 16685 1 1106 . 1 1 107 107 LEU HD21 H 1 1.042 0.004 . 2 . . . . 208 LEU HD2 . 16685 1 1107 . 1 1 107 107 LEU HD22 H 1 1.042 0.004 . 2 . . . . 208 LEU HD2 . 16685 1 1108 . 1 1 107 107 LEU HD23 H 1 1.042 0.004 . 2 . . . . 208 LEU HD2 . 16685 1 1109 . 1 1 107 107 LEU HG H 1 0.828 0.013 . 1 . . . . 208 LEU HG . 16685 1 1110 . 1 1 107 107 LEU CA C 13 54.446 0.067 . 1 . . . . 208 LEU CA . 16685 1 1111 . 1 1 107 107 LEU CB C 13 43.250 0.045 . 1 . . . . 208 LEU CB . 16685 1 1112 . 1 1 107 107 LEU CD1 C 13 27.003 0.000 . 2 . . . . 208 LEU CD1 . 16685 1 1113 . 1 1 107 107 LEU CD2 C 13 23.904 0.099 . 2 . . . . 208 LEU CD2 . 16685 1 1114 . 1 1 107 107 LEU CG C 13 26.676 0.058 . 1 . . . . 208 LEU CG . 16685 1 1115 . 1 1 107 107 LEU N N 15 121.957 0.019 . 1 . . . . 208 LEU N . 16685 1 1116 . 1 1 108 108 LYS H H 1 8.626 0.004 . 1 . . . . 209 LYS H . 16685 1 1117 . 1 1 108 108 LYS HA H 1 4.229 0.004 . 1 . . . . 209 LYS HA . 16685 1 1118 . 1 1 108 108 LYS HB2 H 1 1.617 0.023 . 2 . . . . 209 LYS HB2 . 16685 1 1119 . 1 1 108 108 LYS HB3 H 1 1.533 0.003 . 2 . . . . 209 LYS HB3 . 16685 1 1120 . 1 1 108 108 LYS HD2 H 1 1.616 0.011 . 2 . . . . 209 LYS HD2 . 16685 1 1121 . 1 1 108 108 LYS HD3 H 1 1.616 0.011 . 2 . . . . 209 LYS HD3 . 16685 1 1122 . 1 1 108 108 LYS HE2 H 1 2.828 0.004 . 2 . . . . 209 LYS HE2 . 16685 1 1123 . 1 1 108 108 LYS HE3 H 1 2.780 0.012 . 2 . . . . 209 LYS HE3 . 16685 1 1124 . 1 1 108 108 LYS HG2 H 1 1.076 0.007 . 2 . . . . 209 LYS HG2 . 16685 1 1125 . 1 1 108 108 LYS HG3 H 1 0.972 0.005 . 2 . . . . 209 LYS HG3 . 16685 1 1126 . 1 1 108 108 LYS CA C 13 56.193 0.073 . 1 . . . . 209 LYS CA . 16685 1 1127 . 1 1 108 108 LYS CB C 13 33.866 0.042 . 1 . . . . 209 LYS CB . 16685 1 1128 . 1 1 108 108 LYS CD C 13 29.538 0.008 . 1 . . . . 209 LYS CD . 16685 1 1129 . 1 1 108 108 LYS CE C 13 41.988 0.031 . 1 . . . . 209 LYS CE . 16685 1 1130 . 1 1 108 108 LYS CG C 13 25.494 0.076 . 1 . . . . 209 LYS CG . 16685 1 1131 . 1 1 108 108 LYS N N 15 125.174 0.018 . 1 . . . . 209 LYS N . 16685 1 1132 . 1 1 109 109 MET H H 1 8.914 0.002 . 1 . . . . 210 MET H . 16685 1 1133 . 1 1 109 109 MET HA H 1 5.402 0.006 . 1 . . . . 210 MET HA . 16685 1 1134 . 1 1 109 109 MET HB2 H 1 2.223 0.008 . 2 . . . . 210 MET HB2 . 16685 1 1135 . 1 1 109 109 MET HB3 H 1 1.393 0.006 . 2 . . . . 210 MET HB3 . 16685 1 1136 . 1 1 109 109 MET HG2 H 1 2.478 0.008 . 2 . . . . 210 MET HG2 . 16685 1 1137 . 1 1 109 109 MET HG3 H 1 2.478 0.008 . 2 . . . . 210 MET HG3 . 16685 1 1138 . 1 1 109 109 MET CA C 13 53.468 0.073 . 1 . . . . 210 MET CA . 16685 1 1139 . 1 1 109 109 MET CB C 13 38.431 0.067 . 1 . . . . 210 MET CB . 16685 1 1140 . 1 1 109 109 MET CG C 13 31.940 0.025 . 1 . . . . 210 MET CG . 16685 1 1141 . 1 1 109 109 MET N N 15 128.822 0.009 . 1 . . . . 210 MET N . 16685 1 1142 . 1 1 110 110 THR H H 1 8.885 0.003 . 1 . . . . 211 THR H . 16685 1 1143 . 1 1 110 110 THR HA H 1 4.594 0.006 . 1 . . . . 211 THR HA . 16685 1 1144 . 1 1 110 110 THR HB H 1 4.227 0.004 . 1 . . . . 211 THR HB . 16685 1 1145 . 1 1 110 110 THR HG21 H 1 1.210 0.002 . 1 . . . . 211 THR HG2 . 16685 1 1146 . 1 1 110 110 THR HG22 H 1 1.210 0.002 . 1 . . . . 211 THR HG2 . 16685 1 1147 . 1 1 110 110 THR HG23 H 1 1.210 0.002 . 1 . . . . 211 THR HG2 . 16685 1 1148 . 1 1 110 110 THR CA C 13 61.233 0.028 . 1 . . . . 211 THR CA . 16685 1 1149 . 1 1 110 110 THR CB C 13 69.980 0.044 . 1 . . . . 211 THR CB . 16685 1 1150 . 1 1 110 110 THR CG2 C 13 22.124 0.030 . 1 . . . . 211 THR CG2 . 16685 1 1151 . 1 1 110 110 THR N N 15 122.497 0.035 . 1 . . . . 211 THR N . 16685 1 1152 . 1 1 111 111 ILE H H 1 8.651 0.004 . 1 . . . . 212 ILE H . 16685 1 1153 . 1 1 111 111 ILE HA H 1 4.119 0.003 . 1 . . . . 212 ILE HA . 16685 1 1154 . 1 1 111 111 ILE HB H 1 1.967 0.005 . 1 . . . . 212 ILE HB . 16685 1 1155 . 1 1 111 111 ILE HD11 H 1 0.574 0.009 . 1 . . . . 212 ILE HD1 . 16685 1 1156 . 1 1 111 111 ILE HD12 H 1 0.574 0.009 . 1 . . . . 212 ILE HD1 . 16685 1 1157 . 1 1 111 111 ILE HD13 H 1 0.574 0.009 . 1 . . . . 212 ILE HD1 . 16685 1 1158 . 1 1 111 111 ILE HG12 H 1 1.207 0.016 . 2 . . . . 212 ILE HG12 . 16685 1 1159 . 1 1 111 111 ILE HG13 H 1 1.151 0.007 . 2 . . . . 212 ILE HG13 . 16685 1 1160 . 1 1 111 111 ILE HG21 H 1 0.759 0.007 . 1 . . . . 212 ILE HG2 . 16685 1 1161 . 1 1 111 111 ILE HG22 H 1 0.759 0.007 . 1 . . . . 212 ILE HG2 . 16685 1 1162 . 1 1 111 111 ILE HG23 H 1 0.759 0.007 . 1 . . . . 212 ILE HG2 . 16685 1 1163 . 1 1 111 111 ILE CA C 13 61.538 0.030 . 1 . . . . 212 ILE CA . 16685 1 1164 . 1 1 111 111 ILE CB C 13 37.472 0.051 . 1 . . . . 212 ILE CB . 16685 1 1165 . 1 1 111 111 ILE CD1 C 13 12.968 0.103 . 1 . . . . 212 ILE CD1 . 16685 1 1166 . 1 1 111 111 ILE CG1 C 13 29.575 0.056 . 1 . . . . 212 ILE CG1 . 16685 1 1167 . 1 1 111 111 ILE CG2 C 13 18.456 0.049 . 1 . . . . 212 ILE CG2 . 16685 1 1168 . 1 1 111 111 ILE N N 15 125.102 0.018 . 1 . . . . 212 ILE N . 16685 1 1169 . 1 1 112 112 ILE H H 1 8.698 0.005 . 1 . . . . 213 ILE H . 16685 1 1170 . 1 1 112 112 ILE HA H 1 4.313 0.006 . 1 . . . . 213 ILE HA . 16685 1 1171 . 1 1 112 112 ILE HB H 1 1.750 0.003 . 1 . . . . 213 ILE HB . 16685 1 1172 . 1 1 112 112 ILE HD11 H 1 0.770 0.008 . 1 . . . . 213 ILE HD1 . 16685 1 1173 . 1 1 112 112 ILE HD12 H 1 0.770 0.008 . 1 . . . . 213 ILE HD1 . 16685 1 1174 . 1 1 112 112 ILE HD13 H 1 0.770 0.008 . 1 . . . . 213 ILE HD1 . 16685 1 1175 . 1 1 112 112 ILE HG12 H 1 1.348 0.004 . 2 . . . . 213 ILE HG12 . 16685 1 1176 . 1 1 112 112 ILE HG13 H 1 1.051 0.009 . 2 . . . . 213 ILE HG13 . 16685 1 1177 . 1 1 112 112 ILE HG21 H 1 0.901 0.004 . 1 . . . . 213 ILE HG2 . 16685 1 1178 . 1 1 112 112 ILE HG22 H 1 0.901 0.004 . 1 . . . . 213 ILE HG2 . 16685 1 1179 . 1 1 112 112 ILE HG23 H 1 0.901 0.004 . 1 . . . . 213 ILE HG2 . 16685 1 1180 . 1 1 112 112 ILE CA C 13 61.107 0.025 . 1 . . . . 213 ILE CA . 16685 1 1181 . 1 1 112 112 ILE CB C 13 38.591 0.055 . 1 . . . . 213 ILE CB . 16685 1 1182 . 1 1 112 112 ILE CD1 C 13 11.469 0.078 . 1 . . . . 213 ILE CD1 . 16685 1 1183 . 1 1 112 112 ILE CG1 C 13 27.048 0.045 . 1 . . . . 213 ILE CG1 . 16685 1 1184 . 1 1 112 112 ILE CG2 C 13 17.394 0.044 . 1 . . . . 213 ILE CG2 . 16685 1 1185 . 1 1 112 112 ILE N N 15 127.660 0.045 . 1 . . . . 213 ILE N . 16685 1 1186 . 1 1 113 113 GLU H H 1 7.878 0.003 . 1 . . . . 214 GLU H . 16685 1 1187 . 1 1 113 113 GLU HA H 1 4.600 0.004 . 1 . . . . 214 GLU HA . 16685 1 1188 . 1 1 113 113 GLU HB2 H 1 2.146 0.008 . 2 . . . . 214 GLU HB2 . 16685 1 1189 . 1 1 113 113 GLU HB3 H 1 2.034 0.008 . 2 . . . . 214 GLU HB3 . 16685 1 1190 . 1 1 113 113 GLU HG2 H 1 2.334 0.014 . 2 . . . . 214 GLU HG2 . 16685 1 1191 . 1 1 113 113 GLU HG3 H 1 2.334 0.014 . 2 . . . . 214 GLU HG3 . 16685 1 1192 . 1 1 113 113 GLU CA C 13 56.018 0.051 . 1 . . . . 214 GLU CA . 16685 1 1193 . 1 1 113 113 GLU CB C 13 33.887 0.052 . 1 . . . . 214 GLU CB . 16685 1 1194 . 1 1 113 113 GLU CG C 13 36.319 0.026 . 1 . . . . 214 GLU CG . 16685 1 1195 . 1 1 113 113 GLU N N 15 121.019 0.021 . 1 . . . . 214 GLU N . 16685 1 1196 . 1 1 114 114 ARG H H 1 8.700 0.002 . 1 . . . . 215 ARG H . 16685 1 1197 . 1 1 114 114 ARG HA H 1 4.860 0.006 . 1 . . . . 215 ARG HA . 16685 1 1198 . 1 1 114 114 ARG HB2 H 1 1.918 0.007 . 2 . . . . 215 ARG HB2 . 16685 1 1199 . 1 1 114 114 ARG HB3 H 1 1.632 0.018 . 2 . . . . 215 ARG HB3 . 16685 1 1200 . 1 1 114 114 ARG HD2 H 1 3.370 0.005 . 2 . . . . 215 ARG HD2 . 16685 1 1201 . 1 1 114 114 ARG HD3 H 1 3.231 0.004 . 2 . . . . 215 ARG HD3 . 16685 1 1202 . 1 1 114 114 ARG HG2 H 1 1.556 0.010 . 2 . . . . 215 ARG HG2 . 16685 1 1203 . 1 1 114 114 ARG HG3 H 1 1.556 0.010 . 2 . . . . 215 ARG HG3 . 16685 1 1204 . 1 1 114 114 ARG CA C 13 54.754 0.066 . 1 . . . . 215 ARG CA . 16685 1 1205 . 1 1 114 114 ARG CB C 13 32.534 0.039 . 1 . . . . 215 ARG CB . 16685 1 1206 . 1 1 114 114 ARG CD C 13 43.222 0.023 . 1 . . . . 215 ARG CD . 16685 1 1207 . 1 1 114 114 ARG CG C 13 27.907 0.033 . 1 . . . . 215 ARG CG . 16685 1 1208 . 1 1 114 114 ARG N N 15 125.241 0.008 . 1 . . . . 215 ARG N . 16685 1 1209 . 1 1 115 115 LYS H H 1 8.135 0.002 . 1 . . . . 216 LYS H . 16685 1 1210 . 1 1 115 115 LYS HA H 1 4.345 0.007 . 1 . . . . 216 LYS HA . 16685 1 1211 . 1 1 115 115 LYS HB2 H 1 1.703 0.011 . 2 . . . . 216 LYS HB2 . 16685 1 1212 . 1 1 115 115 LYS HB3 H 1 1.400 0.004 . 2 . . . . 216 LYS HB3 . 16685 1 1213 . 1 1 115 115 LYS HD2 H 1 1.591 0.007 . 2 . . . . 216 LYS HD2 . 16685 1 1214 . 1 1 115 115 LYS HD3 H 1 1.591 0.007 . 2 . . . . 216 LYS HD3 . 16685 1 1215 . 1 1 115 115 LYS HE2 H 1 2.915 0.004 . 2 . . . . 216 LYS HE2 . 16685 1 1216 . 1 1 115 115 LYS HE3 H 1 2.915 0.004 . 2 . . . . 216 LYS HE3 . 16685 1 1217 . 1 1 115 115 LYS HG2 H 1 1.266 0.004 . 2 . . . . 216 LYS HG2 . 16685 1 1218 . 1 1 115 115 LYS HG3 H 1 1.266 0.004 . 2 . . . . 216 LYS HG3 . 16685 1 1219 . 1 1 115 115 LYS CA C 13 55.616 0.088 . 1 . . . . 216 LYS CA . 16685 1 1220 . 1 1 115 115 LYS CB C 13 33.221 0.019 . 1 . . . . 216 LYS CB . 16685 1 1221 . 1 1 115 115 LYS CD C 13 28.709 0.005 . 1 . . . . 216 LYS CD . 16685 1 1222 . 1 1 115 115 LYS CE C 13 42.040 0.004 . 1 . . . . 216 LYS CE . 16685 1 1223 . 1 1 115 115 LYS CG C 13 24.699 0.006 . 1 . . . . 216 LYS CG . 16685 1 1224 . 1 1 115 115 LYS N N 15 124.763 0.014 . 1 . . . . 216 LYS N . 16685 1 1225 . 1 1 116 116 ASP H H 1 8.640 0.003 . 1 . . . . 217 ASP H . 16685 1 1226 . 1 1 116 116 ASP HA H 1 4.355 0.004 . 1 . . . . 217 ASP HA . 16685 1 1227 . 1 1 116 116 ASP HB2 H 1 2.695 0.009 . 2 . . . . 217 ASP HB2 . 16685 1 1228 . 1 1 116 116 ASP HB3 H 1 2.695 0.009 . 2 . . . . 217 ASP HB3 . 16685 1 1229 . 1 1 116 116 ASP CA C 13 55.843 0.056 . 1 . . . . 217 ASP CA . 16685 1 1230 . 1 1 116 116 ASP CB C 13 41.086 0.021 . 1 . . . . 217 ASP CB . 16685 1 1231 . 1 1 116 116 ASP N N 15 123.537 0.009 . 1 . . . . 217 ASP N . 16685 1 1232 . 1 1 117 117 LYS H H 1 8.534 0.002 . 1 . . . . 218 LYS H . 16685 1 1233 . 1 1 117 117 LYS HA H 1 3.941 0.005 . 1 . . . . 218 LYS HA . 16685 1 1234 . 1 1 117 117 LYS HB2 H 1 1.983 0.009 . 2 . . . . 218 LYS HB2 . 16685 1 1235 . 1 1 117 117 LYS HB3 H 1 1.983 0.009 . 2 . . . . 218 LYS HB3 . 16685 1 1236 . 1 1 117 117 LYS HD2 H 1 1.657 0.005 . 2 . . . . 218 LYS HD2 . 16685 1 1237 . 1 1 117 117 LYS HD3 H 1 1.657 0.005 . 2 . . . . 218 LYS HD3 . 16685 1 1238 . 1 1 117 117 LYS HE2 H 1 3.008 0.002 . 2 . . . . 218 LYS HE2 . 16685 1 1239 . 1 1 117 117 LYS HE3 H 1 3.008 0.002 . 2 . . . . 218 LYS HE3 . 16685 1 1240 . 1 1 117 117 LYS HG2 H 1 1.386 0.012 . 2 . . . . 218 LYS HG2 . 16685 1 1241 . 1 1 117 117 LYS HG3 H 1 1.386 0.012 . 2 . . . . 218 LYS HG3 . 16685 1 1242 . 1 1 117 117 LYS CA C 13 57.510 0.047 . 1 . . . . 218 LYS CA . 16685 1 1243 . 1 1 117 117 LYS CB C 13 30.477 0.032 . 1 . . . . 218 LYS CB . 16685 1 1244 . 1 1 117 117 LYS CD C 13 29.002 0.007 . 1 . . . . 218 LYS CD . 16685 1 1245 . 1 1 117 117 LYS CE C 13 42.202 0.002 . 1 . . . . 218 LYS CE . 16685 1 1246 . 1 1 117 117 LYS CG C 13 25.121 0.008 . 1 . . . . 218 LYS CG . 16685 1 1247 . 1 1 117 117 LYS N N 15 117.088 0.013 . 1 . . . . 218 LYS N . 16685 1 1248 . 1 1 118 118 GLN H H 1 7.967 0.002 . 1 . . . . 219 GLN H . 16685 1 1249 . 1 1 118 118 GLN HA H 1 4.496 0.011 . 1 . . . . 219 GLN HA . 16685 1 1250 . 1 1 118 118 GLN HB2 H 1 2.027 0.007 . 2 . . . . 219 GLN HB2 . 16685 1 1251 . 1 1 118 118 GLN HB3 H 1 2.027 0.007 . 2 . . . . 219 GLN HB3 . 16685 1 1252 . 1 1 118 118 GLN HG2 H 1 2.429 0.007 . 2 . . . . 219 GLN HG2 . 16685 1 1253 . 1 1 118 118 GLN HG3 H 1 2.274 0.002 . 2 . . . . 219 GLN HG3 . 16685 1 1254 . 1 1 118 118 GLN CA C 13 55.024 0.058 . 1 . . . . 219 GLN CA . 16685 1 1255 . 1 1 118 118 GLN CB C 13 31.122 0.061 . 1 . . . . 219 GLN CB . 16685 1 1256 . 1 1 118 118 GLN CG C 13 33.985 0.028 . 1 . . . . 219 GLN CG . 16685 1 1257 . 1 1 118 118 GLN N N 15 119.537 0.007 . 1 . . . . 219 GLN N . 16685 1 1258 . 1 1 119 119 ASP H H 1 8.326 0.003 . 1 . . . . 220 ASP H . 16685 1 1259 . 1 1 119 119 ASP HA H 1 4.847 0.003 . 1 . . . . 220 ASP HA . 16685 1 1260 . 1 1 119 119 ASP HB2 H 1 2.583 0.008 . 2 . . . . 220 ASP HB2 . 16685 1 1261 . 1 1 119 119 ASP HB3 H 1 2.494 0.013 . 2 . . . . 220 ASP HB3 . 16685 1 1262 . 1 1 119 119 ASP CA C 13 52.493 0.058 . 1 . . . . 220 ASP CA . 16685 1 1263 . 1 1 119 119 ASP CB C 13 43.448 0.054 . 1 . . . . 220 ASP CB . 16685 1 1264 . 1 1 119 119 ASP N N 15 119.259 0.007 . 1 . . . . 220 ASP N . 16685 1 1265 . 1 1 120 120 VAL H H 1 8.718 0.002 . 1 . . . . 221 VAL H . 16685 1 1266 . 1 1 120 120 VAL HA H 1 4.022 0.007 . 1 . . . . 221 VAL HA . 16685 1 1267 . 1 1 120 120 VAL HB H 1 1.665 0.005 . 1 . . . . 221 VAL HB . 16685 1 1268 . 1 1 120 120 VAL HG11 H 1 0.899 0.009 . 2 . . . . 221 VAL HG1 . 16685 1 1269 . 1 1 120 120 VAL HG12 H 1 0.899 0.009 . 2 . . . . 221 VAL HG1 . 16685 1 1270 . 1 1 120 120 VAL HG13 H 1 0.899 0.009 . 2 . . . . 221 VAL HG1 . 16685 1 1271 . 1 1 120 120 VAL HG21 H 1 0.824 0.004 . 2 . . . . 221 VAL HG2 . 16685 1 1272 . 1 1 120 120 VAL HG22 H 1 0.824 0.004 . 2 . . . . 221 VAL HG2 . 16685 1 1273 . 1 1 120 120 VAL HG23 H 1 0.824 0.004 . 2 . . . . 221 VAL HG2 . 16685 1 1274 . 1 1 120 120 VAL CA C 13 62.499 0.022 . 1 . . . . 221 VAL CA . 16685 1 1275 . 1 1 120 120 VAL CB C 13 32.220 0.074 . 1 . . . . 221 VAL CB . 16685 1 1276 . 1 1 120 120 VAL CG1 C 13 23.281 0.115 . 2 . . . . 221 VAL CG1 . 16685 1 1277 . 1 1 120 120 VAL CG2 C 13 21.599 0.029 . 2 . . . . 221 VAL CG2 . 16685 1 1278 . 1 1 120 120 VAL N N 15 124.518 0.018 . 1 . . . . 221 VAL N . 16685 1 1279 . 1 1 121 121 LYS H H 1 9.015 0.002 . 1 . . . . 222 LYS H . 16685 1 1280 . 1 1 121 121 LYS HA H 1 4.561 0.004 . 1 . . . . 222 LYS HA . 16685 1 1281 . 1 1 121 121 LYS HB2 H 1 1.820 0.007 . 2 . . . . 222 LYS HB2 . 16685 1 1282 . 1 1 121 121 LYS HB3 H 1 1.578 0.008 . 2 . . . . 222 LYS HB3 . 16685 1 1283 . 1 1 121 121 LYS HD2 H 1 1.593 0.011 . 2 . . . . 222 LYS HD2 . 16685 1 1284 . 1 1 121 121 LYS HD3 H 1 1.593 0.011 . 2 . . . . 222 LYS HD3 . 16685 1 1285 . 1 1 121 121 LYS HE2 H 1 2.896 0.011 . 2 . . . . 222 LYS HE2 . 16685 1 1286 . 1 1 121 121 LYS HE3 H 1 2.896 0.011 . 2 . . . . 222 LYS HE3 . 16685 1 1287 . 1 1 121 121 LYS HG2 H 1 1.370 0.010 . 2 . . . . 222 LYS HG2 . 16685 1 1288 . 1 1 121 121 LYS HG3 H 1 1.247 0.003 . 2 . . . . 222 LYS HG3 . 16685 1 1289 . 1 1 121 121 LYS CA C 13 53.586 0.061 . 1 . . . . 222 LYS CA . 16685 1 1290 . 1 1 121 121 LYS CB C 13 36.888 0.054 . 1 . . . . 222 LYS CB . 16685 1 1291 . 1 1 121 121 LYS CD C 13 28.744 0.040 . 1 . . . . 222 LYS CD . 16685 1 1292 . 1 1 121 121 LYS CE C 13 42.329 0.003 . 1 . . . . 222 LYS CE . 16685 1 1293 . 1 1 121 121 LYS CG C 13 23.753 0.013 . 1 . . . . 222 LYS CG . 16685 1 1294 . 1 1 121 121 LYS N N 15 128.429 0.036 . 1 . . . . 222 LYS N . 16685 1 1295 . 1 1 122 122 LYS H H 1 8.314 0.001 . 1 . . . . 223 LYS H . 16685 1 1296 . 1 1 122 122 LYS HA H 1 3.538 0.005 . 1 . . . . 223 LYS HA . 16685 1 1297 . 1 1 122 122 LYS HB2 H 1 1.647 0.014 . 2 . . . . 223 LYS HB2 . 16685 1 1298 . 1 1 122 122 LYS HB3 H 1 1.647 0.014 . 2 . . . . 223 LYS HB3 . 16685 1 1299 . 1 1 122 122 LYS HD2 H 1 1.745 0.009 . 2 . . . . 223 LYS HD2 . 16685 1 1300 . 1 1 122 122 LYS HD3 H 1 1.745 0.009 . 2 . . . . 223 LYS HD3 . 16685 1 1301 . 1 1 122 122 LYS HE2 H 1 3.091 0.003 . 2 . . . . 223 LYS HE2 . 16685 1 1302 . 1 1 122 122 LYS HE3 H 1 3.091 0.003 . 2 . . . . 223 LYS HE3 . 16685 1 1303 . 1 1 122 122 LYS HG2 H 1 1.197 0.010 . 2 . . . . 223 LYS HG2 . 16685 1 1304 . 1 1 122 122 LYS HG3 H 1 1.197 0.010 . 2 . . . . 223 LYS HG3 . 16685 1 1305 . 1 1 122 122 LYS CA C 13 58.880 0.040 . 1 . . . . 223 LYS CA . 16685 1 1306 . 1 1 122 122 LYS CB C 13 32.282 0.053 . 1 . . . . 223 LYS CB . 16685 1 1307 . 1 1 122 122 LYS CD C 13 29.702 0.009 . 1 . . . . 223 LYS CD . 16685 1 1308 . 1 1 122 122 LYS CE C 13 41.909 0.023 . 1 . . . . 223 LYS CE . 16685 1 1309 . 1 1 122 122 LYS CG C 13 25.385 0.061 . 1 . . . . 223 LYS CG . 16685 1 1310 . 1 1 122 122 LYS N N 15 120.115 0.010 . 1 . . . . 223 LYS N . 16685 1 1311 . 1 1 123 123 GLY H H 1 9.127 0.003 . 1 . . . . 224 GLY H . 16685 1 1312 . 1 1 123 123 GLY HA2 H 1 4.466 0.001 . 2 . . . . 224 GLY HA2 . 16685 1 1313 . 1 1 123 123 GLY HA3 H 1 3.776 0.003 . 2 . . . . 224 GLY HA3 . 16685 1 1314 . 1 1 123 123 GLY CA C 13 44.502 0.039 . 1 . . . . 224 GLY CA . 16685 1 1315 . 1 1 123 123 GLY N N 15 115.349 0.012 . 1 . . . . 224 GLY N . 16685 1 1316 . 1 1 124 124 ASP H H 1 7.716 0.001 . 1 . . . . 225 ASP H . 16685 1 1317 . 1 1 124 124 ASP HA H 1 4.695 0.008 . 1 . . . . 225 ASP HA . 16685 1 1318 . 1 1 124 124 ASP HB2 H 1 2.501 0.005 . 2 . . . . 225 ASP HB2 . 16685 1 1319 . 1 1 124 124 ASP HB3 H 1 2.426 0.005 . 2 . . . . 225 ASP HB3 . 16685 1 1320 . 1 1 124 124 ASP CA C 13 56.040 0.046 . 1 . . . . 225 ASP CA . 16685 1 1321 . 1 1 124 124 ASP CB C 13 40.625 0.029 . 1 . . . . 225 ASP CB . 16685 1 1322 . 1 1 124 124 ASP N N 15 122.953 0.011 . 1 . . . . 225 ASP N . 16685 1 1323 . 1 1 125 125 LEU H H 1 8.614 0.004 . 1 . . . . 226 LEU H . 16685 1 1324 . 1 1 125 125 LEU HA H 1 4.616 0.010 . 1 . . . . 226 LEU HA . 16685 1 1325 . 1 1 125 125 LEU HB2 H 1 1.737 0.006 . 2 . . . . 226 LEU HB2 . 16685 1 1326 . 1 1 125 125 LEU HB3 H 1 1.654 0.012 . 2 . . . . 226 LEU HB3 . 16685 1 1327 . 1 1 125 125 LEU HD11 H 1 0.862 0.001 . 2 . . . . 226 LEU HD1 . 16685 1 1328 . 1 1 125 125 LEU HD12 H 1 0.862 0.001 . 2 . . . . 226 LEU HD1 . 16685 1 1329 . 1 1 125 125 LEU HD13 H 1 0.862 0.001 . 2 . . . . 226 LEU HD1 . 16685 1 1330 . 1 1 125 125 LEU HD21 H 1 0.952 0.005 . 2 . . . . 226 LEU HD2 . 16685 1 1331 . 1 1 125 125 LEU HD22 H 1 0.952 0.005 . 2 . . . . 226 LEU HD2 . 16685 1 1332 . 1 1 125 125 LEU HD23 H 1 0.952 0.005 . 2 . . . . 226 LEU HD2 . 16685 1 1333 . 1 1 125 125 LEU HG H 1 1.564 0.005 . 1 . . . . 226 LEU HG . 16685 1 1334 . 1 1 125 125 LEU CA C 13 54.851 0.063 . 1 . . . . 226 LEU CA . 16685 1 1335 . 1 1 125 125 LEU CB C 13 43.648 0.060 . 1 . . . . 226 LEU CB . 16685 1 1336 . 1 1 125 125 LEU CD1 C 13 24.715 0.006 . 2 . . . . 226 LEU CD1 . 16685 1 1337 . 1 1 125 125 LEU CD2 C 13 23.453 0.036 . 2 . . . . 226 LEU CD2 . 16685 1 1338 . 1 1 125 125 LEU CG C 13 27.666 0.071 . 1 . . . . 226 LEU CG . 16685 1 1339 . 1 1 125 125 LEU N N 15 123.481 0.028 . 1 . . . . 226 LEU N . 16685 1 1340 . 1 1 126 126 ILE H H 1 8.856 0.003 . 1 . . . . 227 ILE H . 16685 1 1341 . 1 1 126 126 ILE HA H 1 4.897 0.005 . 1 . . . . 227 ILE HA . 16685 1 1342 . 1 1 126 126 ILE HB H 1 1.943 0.008 . 1 . . . . 227 ILE HB . 16685 1 1343 . 1 1 126 126 ILE HD11 H 1 0.567 0.003 . 1 . . . . 227 ILE HD1 . 16685 1 1344 . 1 1 126 126 ILE HD12 H 1 0.567 0.003 . 1 . . . . 227 ILE HD1 . 16685 1 1345 . 1 1 126 126 ILE HD13 H 1 0.567 0.003 . 1 . . . . 227 ILE HD1 . 16685 1 1346 . 1 1 126 126 ILE HG12 H 1 1.683 0.003 . 2 . . . . 227 ILE HG12 . 16685 1 1347 . 1 1 126 126 ILE HG13 H 1 1.121 0.010 . 2 . . . . 227 ILE HG13 . 16685 1 1348 . 1 1 126 126 ILE HG21 H 1 0.918 0.006 . 1 . . . . 227 ILE HG2 . 16685 1 1349 . 1 1 126 126 ILE HG22 H 1 0.918 0.006 . 1 . . . . 227 ILE HG2 . 16685 1 1350 . 1 1 126 126 ILE HG23 H 1 0.918 0.006 . 1 . . . . 227 ILE HG2 . 16685 1 1351 . 1 1 126 126 ILE CA C 13 57.462 0.049 . 1 . . . . 227 ILE CA . 16685 1 1352 . 1 1 126 126 ILE CB C 13 36.051 0.052 . 1 . . . . 227 ILE CB . 16685 1 1353 . 1 1 126 126 ILE CD1 C 13 11.735 0.088 . 1 . . . . 227 ILE CD1 . 16685 1 1354 . 1 1 126 126 ILE CG1 C 13 26.587 0.042 . 1 . . . . 227 ILE CG1 . 16685 1 1355 . 1 1 126 126 ILE CG2 C 13 18.845 0.007 . 1 . . . . 227 ILE CG2 . 16685 1 1356 . 1 1 126 126 ILE N N 15 124.635 0.024 . 1 . . . . 227 ILE N . 16685 1 1357 . 1 1 127 127 GLU H H 1 8.665 0.003 . 1 . . . . 228 GLU H . 16685 1 1358 . 1 1 127 127 GLU HA H 1 5.443 0.002 . 1 . . . . 228 GLU HA . 16685 1 1359 . 1 1 127 127 GLU HB2 H 1 1.873 0.008 . 2 . . . . 228 GLU HB2 . 16685 1 1360 . 1 1 127 127 GLU HB3 H 1 1.820 0.006 . 2 . . . . 228 GLU HB3 . 16685 1 1361 . 1 1 127 127 GLU HG2 H 1 2.070 0.000 . 2 . . . . 228 GLU HG2 . 16685 1 1362 . 1 1 127 127 GLU HG3 H 1 2.070 0.000 . 2 . . . . 228 GLU HG3 . 16685 1 1363 . 1 1 127 127 GLU CA C 13 53.843 0.046 . 1 . . . . 228 GLU CA . 16685 1 1364 . 1 1 127 127 GLU CB C 13 36.329 0.055 . 1 . . . . 228 GLU CB . 16685 1 1365 . 1 1 127 127 GLU CG C 13 38.757 0.000 . 1 . . . . 228 GLU CG . 16685 1 1366 . 1 1 127 127 GLU N N 15 127.850 0.022 . 1 . . . . 228 GLU N . 16685 1 1367 . 1 1 128 128 THR H H 1 9.194 0.003 . 1 . . . . 229 THR H . 16685 1 1368 . 1 1 128 128 THR HA H 1 4.427 0.007 . 1 . . . . 229 THR HA . 16685 1 1369 . 1 1 128 128 THR HB H 1 4.840 0.007 . 1 . . . . 229 THR HB . 16685 1 1370 . 1 1 128 128 THR HG21 H 1 1.261 0.004 . 1 . . . . 229 THR HG2 . 16685 1 1371 . 1 1 128 128 THR HG22 H 1 1.261 0.004 . 1 . . . . 229 THR HG2 . 16685 1 1372 . 1 1 128 128 THR HG23 H 1 1.261 0.004 . 1 . . . . 229 THR HG2 . 16685 1 1373 . 1 1 128 128 THR CA C 13 62.536 0.043 . 1 . . . . 229 THR CA . 16685 1 1374 . 1 1 128 128 THR CB C 13 68.524 0.034 . 1 . . . . 229 THR CB . 16685 1 1375 . 1 1 128 128 THR CG2 C 13 25.944 0.123 . 1 . . . . 229 THR CG2 . 16685 1 1376 . 1 1 128 128 THR N N 15 113.196 0.020 . 1 . . . . 229 THR N . 16685 1 1377 . 1 1 129 129 SER H H 1 8.107 0.002 . 1 . . . . 230 SER H . 16685 1 1378 . 1 1 129 129 SER HA H 1 4.677 0.009 . 1 . . . . 230 SER HA . 16685 1 1379 . 1 1 129 129 SER HB2 H 1 4.090 0.010 . 2 . . . . 230 SER HB2 . 16685 1 1380 . 1 1 129 129 SER HB3 H 1 3.658 0.005 . 2 . . . . 230 SER HB3 . 16685 1 1381 . 1 1 129 129 SER CA C 13 57.681 0.048 . 1 . . . . 230 SER CA . 16685 1 1382 . 1 1 129 129 SER CB C 13 64.436 0.033 . 1 . . . . 230 SER CB . 16685 1 1383 . 1 1 129 129 SER N N 15 117.380 0.010 . 1 . . . . 230 SER N . 16685 1 1384 . 1 1 130 130 GLY H H 1 9.284 0.003 . 1 . . . . 231 GLY H . 16685 1 1385 . 1 1 130 130 GLY HA2 H 1 4.381 0.001 . 2 . . . . 231 GLY HA2 . 16685 1 1386 . 1 1 130 130 GLY HA3 H 1 4.032 0.001 . 2 . . . . 231 GLY HA3 . 16685 1 1387 . 1 1 130 130 GLY CA C 13 45.673 0.035 . 1 . . . . 231 GLY CA . 16685 1 1388 . 1 1 130 130 GLY N N 15 113.435 0.018 . 1 . . . . 231 GLY N . 16685 1 1389 . 1 1 131 131 THR H H 1 7.786 0.002 . 1 . . . . 232 THR H . 16685 1 1390 . 1 1 131 131 THR HA H 1 4.225 0.005 . 1 . . . . 232 THR HA . 16685 1 1391 . 1 1 131 131 THR HB H 1 4.046 0.003 . 1 . . . . 232 THR HB . 16685 1 1392 . 1 1 131 131 THR HG21 H 1 1.079 0.003 . 1 . . . . 232 THR HG2 . 16685 1 1393 . 1 1 131 131 THR HG22 H 1 1.079 0.003 . 1 . . . . 232 THR HG2 . 16685 1 1394 . 1 1 131 131 THR HG23 H 1 1.079 0.003 . 1 . . . . 232 THR HG2 . 16685 1 1395 . 1 1 131 131 THR CA C 13 62.960 0.025 . 1 . . . . 232 THR CA . 16685 1 1396 . 1 1 131 131 THR CB C 13 69.151 0.022 . 1 . . . . 232 THR CB . 16685 1 1397 . 1 1 131 131 THR CG2 C 13 21.647 0.017 . 1 . . . . 232 THR CG2 . 16685 1 1398 . 1 1 131 131 THR N N 15 114.985 0.008 . 1 . . . . 232 THR N . 16685 1 1399 . 1 1 132 132 GLY HA2 H 1 4.105 0.014 . 2 . . . . 233 GLY HA2 . 16685 1 1400 . 1 1 132 132 GLY HA3 H 1 3.918 0.002 . 2 . . . . 233 GLY HA3 . 16685 1 1401 . 1 1 132 132 GLY CA C 13 45.641 0.038 . 1 . . . . 233 GLY CA . 16685 1 1402 . 1 1 133 133 GLY H H 1 8.048 0.003 . 1 . . . . 234 GLY H . 16685 1 1403 . 1 1 133 133 GLY HA2 H 1 4.066 0.002 . 2 . . . . 234 GLY HA2 . 16685 1 1404 . 1 1 133 133 GLY HA3 H 1 4.066 0.002 . 2 . . . . 234 GLY HA3 . 16685 1 1405 . 1 1 133 133 GLY CA C 13 45.770 0.039 . 1 . . . . 234 GLY CA . 16685 1 1406 . 1 1 133 133 GLY N N 15 108.917 0.012 . 1 . . . . 234 GLY N . 16685 1 1407 . 1 1 134 134 VAL H H 1 7.899 0.003 . 1 . . . . 235 VAL H . 16685 1 1408 . 1 1 134 134 VAL HA H 1 4.033 0.006 . 1 . . . . 235 VAL HA . 16685 1 1409 . 1 1 134 134 VAL HB H 1 2.113 0.006 . 1 . . . . 235 VAL HB . 16685 1 1410 . 1 1 134 134 VAL HG11 H 1 0.686 0.007 . 2 . . . . 235 VAL HG1 . 16685 1 1411 . 1 1 134 134 VAL HG12 H 1 0.686 0.007 . 2 . . . . 235 VAL HG1 . 16685 1 1412 . 1 1 134 134 VAL HG13 H 1 0.686 0.007 . 2 . . . . 235 VAL HG1 . 16685 1 1413 . 1 1 134 134 VAL HG21 H 1 0.798 0.005 . 2 . . . . 235 VAL HG2 . 16685 1 1414 . 1 1 134 134 VAL HG22 H 1 0.798 0.005 . 2 . . . . 235 VAL HG2 . 16685 1 1415 . 1 1 134 134 VAL HG23 H 1 0.798 0.005 . 2 . . . . 235 VAL HG2 . 16685 1 1416 . 1 1 134 134 VAL CA C 13 63.852 0.058 . 1 . . . . 235 VAL CA . 16685 1 1417 . 1 1 134 134 VAL CB C 13 32.446 0.063 . 1 . . . . 235 VAL CB . 16685 1 1418 . 1 1 134 134 VAL CG1 C 13 21.127 0.039 . 2 . . . . 235 VAL CG1 . 16685 1 1419 . 1 1 134 134 VAL CG2 C 13 20.520 0.076 . 2 . . . . 235 VAL CG2 . 16685 1 1420 . 1 1 134 134 VAL N N 15 118.434 0.021 . 1 . . . . 235 VAL N . 16685 1 1421 . 1 1 135 135 PHE H H 1 8.183 0.003 . 1 . . . . 236 PHE H . 16685 1 1422 . 1 1 135 135 PHE HA H 1 4.945 0.006 . 1 . . . . 236 PHE HA . 16685 1 1423 . 1 1 135 135 PHE HB2 H 1 3.251 0.010 . 2 . . . . 236 PHE HB2 . 16685 1 1424 . 1 1 135 135 PHE HB3 H 1 3.060 0.003 . 2 . . . . 236 PHE HB3 . 16685 1 1425 . 1 1 135 135 PHE HD1 H 1 7.428 0.012 . 3 . . . . 236 PHE HD1 . 16685 1 1426 . 1 1 135 135 PHE HD2 H 1 7.428 0.012 . 3 . . . . 236 PHE HD2 . 16685 1 1427 . 1 1 135 135 PHE HE1 H 1 7.442 0.022 . 3 . . . . 236 PHE HE1 . 16685 1 1428 . 1 1 135 135 PHE HE2 H 1 7.442 0.022 . 3 . . . . 236 PHE HE2 . 16685 1 1429 . 1 1 135 135 PHE HZ H 1 7.240 0.015 . 1 . . . . 236 PHE HZ . 16685 1 1430 . 1 1 135 135 PHE CA C 13 54.924 0.063 . 1 . . . . 236 PHE CA . 16685 1 1431 . 1 1 135 135 PHE CB C 13 38.742 0.058 . 1 . . . . 236 PHE CB . 16685 1 1432 . 1 1 135 135 PHE CD1 C 13 130.880 0.087 . 3 . . . . 236 PHE CD1 . 16685 1 1433 . 1 1 135 135 PHE CE1 C 13 131.584 0.079 . 3 . . . . 236 PHE CE1 . 16685 1 1434 . 1 1 135 135 PHE CZ C 13 128.936 0.052 . 1 . . . . 236 PHE CZ . 16685 1 1435 . 1 1 135 135 PHE N N 15 121.852 0.048 . 1 . . . . 236 PHE N . 16685 1 1436 . 1 1 136 136 PRO HA H 1 4.616 0.004 . 1 . . . . 237 PRO HA . 16685 1 1437 . 1 1 136 136 PRO HB2 H 1 1.984 0.013 . 2 . . . . 237 PRO HB2 . 16685 1 1438 . 1 1 136 136 PRO HB3 H 1 1.692 0.024 . 2 . . . . 237 PRO HB3 . 16685 1 1439 . 1 1 136 136 PRO HD2 H 1 3.907 0.007 . 2 . . . . 237 PRO HD2 . 16685 1 1440 . 1 1 136 136 PRO HD3 H 1 3.328 0.008 . 2 . . . . 237 PRO HD3 . 16685 1 1441 . 1 1 136 136 PRO HG2 H 1 1.627 0.013 . 2 . . . . 237 PRO HG2 . 16685 1 1442 . 1 1 136 136 PRO HG3 H 1 1.627 0.013 . 2 . . . . 237 PRO HG3 . 16685 1 1443 . 1 1 136 136 PRO CA C 13 61.806 0.034 . 1 . . . . 237 PRO CA . 16685 1 1444 . 1 1 136 136 PRO CB C 13 31.761 0.027 . 1 . . . . 237 PRO CB . 16685 1 1445 . 1 1 136 136 PRO CD C 13 49.963 0.027 . 1 . . . . 237 PRO CD . 16685 1 1446 . 1 1 136 136 PRO CG C 13 26.955 0.021 . 1 . . . . 237 PRO CG . 16685 1 1447 . 1 1 137 137 GLU H H 1 8.733 0.003 . 1 . . . . 238 GLU H . 16685 1 1448 . 1 1 137 137 GLU HA H 1 3.736 0.006 . 1 . . . . 238 GLU HA . 16685 1 1449 . 1 1 137 137 GLU HB2 H 1 1.985 0.010 . 2 . . . . 238 GLU HB2 . 16685 1 1450 . 1 1 137 137 GLU HB3 H 1 1.906 0.011 . 2 . . . . 238 GLU HB3 . 16685 1 1451 . 1 1 137 137 GLU HG2 H 1 2.312 0.006 . 2 . . . . 238 GLU HG2 . 16685 1 1452 . 1 1 137 137 GLU HG3 H 1 2.173 0.004 . 2 . . . . 238 GLU HG3 . 16685 1 1453 . 1 1 137 137 GLU CA C 13 56.433 0.067 . 1 . . . . 238 GLU CA . 16685 1 1454 . 1 1 137 137 GLU CB C 13 30.814 0.049 . 1 . . . . 238 GLU CB . 16685 1 1455 . 1 1 137 137 GLU CG C 13 36.007 0.011 . 1 . . . . 238 GLU CG . 16685 1 1456 . 1 1 137 137 GLU N N 15 123.912 0.023 . 1 . . . . 238 GLU N . 16685 1 1457 . 1 1 138 138 GLY H H 1 8.562 0.004 . 1 . . . . 239 GLY H . 16685 1 1458 . 1 1 138 138 GLY HA2 H 1 4.203 0.007 . 2 . . . . 239 GLY HA2 . 16685 1 1459 . 1 1 138 138 GLY HA3 H 1 3.753 0.003 . 2 . . . . 239 GLY HA3 . 16685 1 1460 . 1 1 138 138 GLY CA C 13 46.186 0.048 . 1 . . . . 239 GLY CA . 16685 1 1461 . 1 1 138 138 GLY N N 15 112.163 0.028 . 1 . . . . 239 GLY N . 16685 1 1462 . 1 1 139 139 LEU H H 1 8.395 0.001 . 1 . . . . 240 LEU H . 16685 1 1463 . 1 1 139 139 LEU HA H 1 4.792 0.007 . 1 . . . . 240 LEU HA . 16685 1 1464 . 1 1 139 139 LEU HB2 H 1 2.016 0.009 . 2 . . . . 240 LEU HB2 . 16685 1 1465 . 1 1 139 139 LEU HB3 H 1 1.147 0.009 . 2 . . . . 240 LEU HB3 . 16685 1 1466 . 1 1 139 139 LEU HD11 H 1 0.745 0.015 . 2 . . . . 240 LEU HD1 . 16685 1 1467 . 1 1 139 139 LEU HD12 H 1 0.745 0.015 . 2 . . . . 240 LEU HD1 . 16685 1 1468 . 1 1 139 139 LEU HD13 H 1 0.745 0.015 . 2 . . . . 240 LEU HD1 . 16685 1 1469 . 1 1 139 139 LEU HD21 H 1 0.781 0.009 . 2 . . . . 240 LEU HD2 . 16685 1 1470 . 1 1 139 139 LEU HD22 H 1 0.781 0.009 . 2 . . . . 240 LEU HD2 . 16685 1 1471 . 1 1 139 139 LEU HD23 H 1 0.781 0.009 . 2 . . . . 240 LEU HD2 . 16685 1 1472 . 1 1 139 139 LEU HG H 1 1.482 0.010 . 1 . . . . 240 LEU HG . 16685 1 1473 . 1 1 139 139 LEU CA C 13 53.784 0.089 . 1 . . . . 240 LEU CA . 16685 1 1474 . 1 1 139 139 LEU CB C 13 41.043 0.062 . 1 . . . . 240 LEU CB . 16685 1 1475 . 1 1 139 139 LEU CD1 C 13 22.402 0.099 . 2 . . . . 240 LEU CD1 . 16685 1 1476 . 1 1 139 139 LEU CD2 C 13 22.484 0.205 . 2 . . . . 240 LEU CD2 . 16685 1 1477 . 1 1 139 139 LEU CG C 13 26.496 0.138 . 1 . . . . 240 LEU CG . 16685 1 1478 . 1 1 139 139 LEU N N 15 120.633 0.010 . 1 . . . . 240 LEU N . 16685 1 1479 . 1 1 140 140 THR H H 1 8.815 0.004 . 1 . . . . 241 THR H . 16685 1 1480 . 1 1 140 140 THR HA H 1 3.857 0.006 . 1 . . . . 241 THR HA . 16685 1 1481 . 1 1 140 140 THR HB H 1 3.937 0.003 . 1 . . . . 241 THR HB . 16685 1 1482 . 1 1 140 140 THR HG21 H 1 1.141 0.005 . 1 . . . . 241 THR HG2 . 16685 1 1483 . 1 1 140 140 THR HG22 H 1 1.141 0.005 . 1 . . . . 241 THR HG2 . 16685 1 1484 . 1 1 140 140 THR HG23 H 1 1.141 0.005 . 1 . . . . 241 THR HG2 . 16685 1 1485 . 1 1 140 140 THR CA C 13 66.126 0.042 . 1 . . . . 241 THR CA . 16685 1 1486 . 1 1 140 140 THR CB C 13 69.614 0.069 . 1 . . . . 241 THR CB . 16685 1 1487 . 1 1 140 140 THR CG2 C 13 21.865 0.090 . 1 . . . . 241 THR CG2 . 16685 1 1488 . 1 1 140 140 THR N N 15 122.710 0.030 . 1 . . . . 241 THR N . 16685 1 1489 . 1 1 141 141 ILE H H 1 9.007 0.003 . 1 . . . . 242 ILE H . 16685 1 1490 . 1 1 141 141 ILE HA H 1 4.246 0.010 . 1 . . . . 242 ILE HA . 16685 1 1491 . 1 1 141 141 ILE HB H 1 1.393 0.004 . 1 . . . . 242 ILE HB . 16685 1 1492 . 1 1 141 141 ILE HD11 H 1 0.593 0.013 . 1 . . . . 242 ILE HD1 . 16685 1 1493 . 1 1 141 141 ILE HD12 H 1 0.593 0.013 . 1 . . . . 242 ILE HD1 . 16685 1 1494 . 1 1 141 141 ILE HD13 H 1 0.593 0.013 . 1 . . . . 242 ILE HD1 . 16685 1 1495 . 1 1 141 141 ILE HG12 H 1 1.805 0.009 . 2 . . . . 242 ILE HG12 . 16685 1 1496 . 1 1 141 141 ILE HG13 H 1 1.805 0.009 . 2 . . . . 242 ILE HG13 . 16685 1 1497 . 1 1 141 141 ILE HG21 H 1 0.623 0.003 . 1 . . . . 242 ILE HG2 . 16685 1 1498 . 1 1 141 141 ILE HG22 H 1 0.623 0.003 . 1 . . . . 242 ILE HG2 . 16685 1 1499 . 1 1 141 141 ILE HG23 H 1 0.623 0.003 . 1 . . . . 242 ILE HG2 . 16685 1 1500 . 1 1 141 141 ILE CA C 13 63.494 0.034 . 1 . . . . 242 ILE CA . 16685 1 1501 . 1 1 141 141 ILE CB C 13 38.703 0.046 . 1 . . . . 242 ILE CB . 16685 1 1502 . 1 1 141 141 ILE CD1 C 13 14.732 0.058 . 1 . . . . 242 ILE CD1 . 16685 1 1503 . 1 1 141 141 ILE CG1 C 13 28.187 0.022 . 1 . . . . 242 ILE CG1 . 16685 1 1504 . 1 1 141 141 ILE CG2 C 13 17.080 0.021 . 1 . . . . 242 ILE CG2 . 16685 1 1505 . 1 1 141 141 ILE N N 15 125.091 0.014 . 1 . . . . 242 ILE N . 16685 1 1506 . 1 1 142 142 GLY H H 1 7.896 0.003 . 1 . . . . 243 GLY H . 16685 1 1507 . 1 1 142 142 GLY HA2 H 1 4.780 0.008 . 2 . . . . 243 GLY HA2 . 16685 1 1508 . 1 1 142 142 GLY HA3 H 1 3.983 0.010 . 2 . . . . 243 GLY HA3 . 16685 1 1509 . 1 1 142 142 GLY CA C 13 46.584 0.054 . 1 . . . . 243 GLY CA . 16685 1 1510 . 1 1 142 142 GLY N N 15 106.103 0.027 . 1 . . . . 243 GLY N . 16685 1 1511 . 1 1 143 143 GLU H H 1 7.772 0.002 . 1 . . . . 244 GLU H . 16685 1 1512 . 1 1 143 143 GLU HA H 1 5.470 0.007 . 1 . . . . 244 GLU HA . 16685 1 1513 . 1 1 143 143 GLU HB2 H 1 1.905 0.008 . 2 . . . . 244 GLU HB2 . 16685 1 1514 . 1 1 143 143 GLU HB3 H 1 1.905 0.008 . 2 . . . . 244 GLU HB3 . 16685 1 1515 . 1 1 143 143 GLU HG2 H 1 2.137 0.012 . 2 . . . . 244 GLU HG2 . 16685 1 1516 . 1 1 143 143 GLU HG3 H 1 2.060 0.017 . 2 . . . . 244 GLU HG3 . 16685 1 1517 . 1 1 143 143 GLU CA C 13 53.687 0.046 . 1 . . . . 244 GLU CA . 16685 1 1518 . 1 1 143 143 GLU CB C 13 34.433 0.058 . 1 . . . . 244 GLU CB . 16685 1 1519 . 1 1 143 143 GLU CG C 13 36.101 0.060 . 1 . . . . 244 GLU CG . 16685 1 1520 . 1 1 143 143 GLU N N 15 120.486 0.009 . 1 . . . . 244 GLU N . 16685 1 1521 . 1 1 144 144 VAL H H 1 8.951 0.002 . 1 . . . . 245 VAL H . 16685 1 1522 . 1 1 144 144 VAL HA H 1 4.279 0.009 . 1 . . . . 245 VAL HA . 16685 1 1523 . 1 1 144 144 VAL HB H 1 2.280 0.007 . 1 . . . . 245 VAL HB . 16685 1 1524 . 1 1 144 144 VAL HG11 H 1 0.823 0.010 . 2 . . . . 245 VAL HG1 . 16685 1 1525 . 1 1 144 144 VAL HG12 H 1 0.823 0.010 . 2 . . . . 245 VAL HG1 . 16685 1 1526 . 1 1 144 144 VAL HG13 H 1 0.823 0.010 . 2 . . . . 245 VAL HG1 . 16685 1 1527 . 1 1 144 144 VAL HG21 H 1 0.768 0.013 . 2 . . . . 245 VAL HG2 . 16685 1 1528 . 1 1 144 144 VAL HG22 H 1 0.768 0.013 . 2 . . . . 245 VAL HG2 . 16685 1 1529 . 1 1 144 144 VAL HG23 H 1 0.768 0.013 . 2 . . . . 245 VAL HG2 . 16685 1 1530 . 1 1 144 144 VAL CA C 13 63.493 0.028 . 1 . . . . 245 VAL CA . 16685 1 1531 . 1 1 144 144 VAL CB C 13 32.172 0.050 . 1 . . . . 245 VAL CB . 16685 1 1532 . 1 1 144 144 VAL CG1 C 13 22.877 0.063 . 2 . . . . 245 VAL CG1 . 16685 1 1533 . 1 1 144 144 VAL CG2 C 13 22.759 0.063 . 2 . . . . 245 VAL CG2 . 16685 1 1534 . 1 1 144 144 VAL N N 15 125.530 0.009 . 1 . . . . 245 VAL N . 16685 1 1535 . 1 1 145 145 THR H H 1 9.376 0.002 . 1 . . . . 246 THR H . 16685 1 1536 . 1 1 145 145 THR HA H 1 4.678 0.003 . 1 . . . . 246 THR HA . 16685 1 1537 . 1 1 145 145 THR HB H 1 4.477 0.011 . 1 . . . . 246 THR HB . 16685 1 1538 . 1 1 145 145 THR HG21 H 1 1.254 0.010 . 1 . . . . 246 THR HG2 . 16685 1 1539 . 1 1 145 145 THR HG22 H 1 1.254 0.010 . 1 . . . . 246 THR HG2 . 16685 1 1540 . 1 1 145 145 THR HG23 H 1 1.254 0.010 . 1 . . . . 246 THR HG2 . 16685 1 1541 . 1 1 145 145 THR CA C 13 62.523 0.043 . 1 . . . . 246 THR CA . 16685 1 1542 . 1 1 145 145 THR CB C 13 69.662 0.047 . 1 . . . . 246 THR CB . 16685 1 1543 . 1 1 145 145 THR CG2 C 13 21.963 0.039 . 1 . . . . 246 THR CG2 . 16685 1 1544 . 1 1 145 145 THR N N 15 120.870 0.012 . 1 . . . . 246 THR N . 16685 1 1545 . 1 1 146 146 ASP H H 1 7.600 0.002 . 1 . . . . 247 ASP H . 16685 1 1546 . 1 1 146 146 ASP HA H 1 5.107 0.005 . 1 . . . . 247 ASP HA . 16685 1 1547 . 1 1 146 146 ASP HB2 H 1 2.657 0.006 . 2 . . . . 247 ASP HB2 . 16685 1 1548 . 1 1 146 146 ASP HB3 H 1 2.476 0.005 . 2 . . . . 247 ASP HB3 . 16685 1 1549 . 1 1 146 146 ASP CA C 13 53.874 0.086 . 1 . . . . 247 ASP CA . 16685 1 1550 . 1 1 146 146 ASP CB C 13 45.566 0.043 . 1 . . . . 247 ASP CB . 16685 1 1551 . 1 1 146 146 ASP N N 15 119.936 0.025 . 1 . . . . 247 ASP N . 16685 1 1552 . 1 1 147 147 ILE H H 1 9.029 0.001 . 1 . . . . 248 ILE H . 16685 1 1553 . 1 1 147 147 ILE HA H 1 5.105 0.007 . 1 . . . . 248 ILE HA . 16685 1 1554 . 1 1 147 147 ILE HB H 1 1.938 0.004 . 1 . . . . 248 ILE HB . 16685 1 1555 . 1 1 147 147 ILE HD11 H 1 0.835 0.020 . 1 . . . . 248 ILE HD1 . 16685 1 1556 . 1 1 147 147 ILE HD12 H 1 0.835 0.020 . 1 . . . . 248 ILE HD1 . 16685 1 1557 . 1 1 147 147 ILE HD13 H 1 0.835 0.020 . 1 . . . . 248 ILE HD1 . 16685 1 1558 . 1 1 147 147 ILE HG12 H 1 1.423 0.001 . 2 . . . . 248 ILE HG12 . 16685 1 1559 . 1 1 147 147 ILE HG13 H 1 1.011 0.007 . 2 . . . . 248 ILE HG13 . 16685 1 1560 . 1 1 147 147 ILE HG21 H 1 0.773 0.010 . 1 . . . . 248 ILE HG2 . 16685 1 1561 . 1 1 147 147 ILE HG22 H 1 0.773 0.010 . 1 . . . . 248 ILE HG2 . 16685 1 1562 . 1 1 147 147 ILE HG23 H 1 0.773 0.010 . 1 . . . . 248 ILE HG2 . 16685 1 1563 . 1 1 147 147 ILE CA C 13 59.691 0.031 . 1 . . . . 248 ILE CA . 16685 1 1564 . 1 1 147 147 ILE CB C 13 42.906 0.053 . 1 . . . . 248 ILE CB . 16685 1 1565 . 1 1 147 147 ILE CD1 C 13 14.065 0.062 . 1 . . . . 248 ILE CD1 . 16685 1 1566 . 1 1 147 147 ILE CG1 C 13 26.039 0.088 . 1 . . . . 248 ILE CG1 . 16685 1 1567 . 1 1 147 147 ILE CG2 C 13 19.491 0.052 . 1 . . . . 248 ILE CG2 . 16685 1 1568 . 1 1 147 147 ILE N N 15 117.854 0.012 . 1 . . . . 248 ILE N . 16685 1 1569 . 1 1 148 148 GLU H H 1 8.833 0.002 . 1 . . . . 249 GLU H . 16685 1 1570 . 1 1 148 148 GLU HA H 1 4.779 0.008 . 1 . . . . 249 GLU HA . 16685 1 1571 . 1 1 148 148 GLU HB2 H 1 2.103 0.011 . 2 . . . . 249 GLU HB2 . 16685 1 1572 . 1 1 148 148 GLU HB3 H 1 1.943 0.006 . 2 . . . . 249 GLU HB3 . 16685 1 1573 . 1 1 148 148 GLU HG2 H 1 2.303 0.005 . 2 . . . . 249 GLU HG2 . 16685 1 1574 . 1 1 148 148 GLU HG3 H 1 2.303 0.005 . 2 . . . . 249 GLU HG3 . 16685 1 1575 . 1 1 148 148 GLU CA C 13 55.235 0.062 . 1 . . . . 249 GLU CA . 16685 1 1576 . 1 1 148 148 GLU CB C 13 32.533 0.041 . 1 . . . . 249 GLU CB . 16685 1 1577 . 1 1 148 148 GLU CG C 13 36.270 0.034 . 1 . . . . 249 GLU CG . 16685 1 1578 . 1 1 148 148 GLU N N 15 123.223 0.029 . 1 . . . . 249 GLU N . 16685 1 1579 . 1 1 149 149 SER H H 1 8.945 0.002 . 1 . . . . 250 SER H . 16685 1 1580 . 1 1 149 149 SER HA H 1 5.253 0.006 . 1 . . . . 250 SER HA . 16685 1 1581 . 1 1 149 149 SER HB2 H 1 3.642 0.007 . 2 . . . . 250 SER HB2 . 16685 1 1582 . 1 1 149 149 SER HB3 H 1 3.642 0.007 . 2 . . . . 250 SER HB3 . 16685 1 1583 . 1 1 149 149 SER CA C 13 57.531 0.035 . 1 . . . . 250 SER CA . 16685 1 1584 . 1 1 149 149 SER CB C 13 65.342 0.020 . 1 . . . . 250 SER CB . 16685 1 1585 . 1 1 149 149 SER N N 15 121.990 0.014 . 1 . . . . 250 SER N . 16685 1 1586 . 1 1 150 150 ASP H H 1 8.975 0.001 . 1 . . . . 251 ASP H . 16685 1 1587 . 1 1 150 150 ASP HA H 1 4.773 0.005 . 1 . . . . 251 ASP HA . 16685 1 1588 . 1 1 150 150 ASP HB2 H 1 3.419 0.004 . 2 . . . . 251 ASP HB2 . 16685 1 1589 . 1 1 150 150 ASP HB3 H 1 2.624 0.004 . 2 . . . . 251 ASP HB3 . 16685 1 1590 . 1 1 150 150 ASP CA C 13 52.631 0.080 . 1 . . . . 251 ASP CA . 16685 1 1591 . 1 1 150 150 ASP CB C 13 41.912 0.057 . 1 . . . . 251 ASP CB . 16685 1 1592 . 1 1 150 150 ASP N N 15 124.066 0.016 . 1 . . . . 251 ASP N . 16685 1 1593 . 1 1 151 151 SER HA H 1 4.118 0.004 . 1 . . . . 252 SER HA . 16685 1 1594 . 1 1 151 151 SER HB2 H 1 3.692 0.011 . 2 . . . . 252 SER HB2 . 16685 1 1595 . 1 1 151 151 SER HB3 H 1 3.618 0.003 . 2 . . . . 252 SER HB3 . 16685 1 1596 . 1 1 151 151 SER CA C 13 60.960 0.048 . 1 . . . . 252 SER CA . 16685 1 1597 . 1 1 151 151 SER CB C 13 62.693 0.063 . 1 . . . . 252 SER CB . 16685 1 1598 . 1 1 152 152 TYR H H 1 8.281 0.003 . 1 . . . . 253 TYR H . 16685 1 1599 . 1 1 152 152 TYR HA H 1 4.556 0.009 . 1 . . . . 253 TYR HA . 16685 1 1600 . 1 1 152 152 TYR HB2 H 1 3.295 0.005 . 2 . . . . 253 TYR HB2 . 16685 1 1601 . 1 1 152 152 TYR HB3 H 1 3.014 0.005 . 2 . . . . 253 TYR HB3 . 16685 1 1602 . 1 1 152 152 TYR HD1 H 1 7.161 0.014 . 3 . . . . 253 TYR HD1 . 16685 1 1603 . 1 1 152 152 TYR HD2 H 1 7.161 0.014 . 3 . . . . 253 TYR HD2 . 16685 1 1604 . 1 1 152 152 TYR HE1 H 1 6.837 0.015 . 3 . . . . 253 TYR HE1 . 16685 1 1605 . 1 1 152 152 TYR HE2 H 1 6.837 0.015 . 3 . . . . 253 TYR HE2 . 16685 1 1606 . 1 1 152 152 TYR CA C 13 57.708 0.047 . 1 . . . . 253 TYR CA . 16685 1 1607 . 1 1 152 152 TYR CB C 13 38.150 0.059 . 1 . . . . 253 TYR CB . 16685 1 1608 . 1 1 152 152 TYR CD1 C 13 132.899 0.040 . 3 . . . . 253 TYR CD1 . 16685 1 1609 . 1 1 152 152 TYR CE1 C 13 117.839 0.022 . 3 . . . . 253 TYR CE1 . 16685 1 1610 . 1 1 152 152 TYR N N 15 121.856 0.030 . 1 . . . . 253 TYR N . 16685 1 1611 . 1 1 153 153 GLY H H 1 8.039 0.003 . 1 . . . . 254 GLY H . 16685 1 1612 . 1 1 153 153 GLY HA2 H 1 4.263 0.006 . 2 . . . . 254 GLY HA2 . 16685 1 1613 . 1 1 153 153 GLY HA3 H 1 3.670 0.012 . 2 . . . . 254 GLY HA3 . 16685 1 1614 . 1 1 153 153 GLY CA C 13 45.300 0.070 . 1 . . . . 254 GLY CA . 16685 1 1615 . 1 1 153 153 GLY N N 15 109.164 0.016 . 1 . . . . 254 GLY N . 16685 1 1616 . 1 1 154 154 LEU H H 1 8.391 0.002 . 1 . . . . 255 LEU H . 16685 1 1617 . 1 1 154 154 LEU HA H 1 4.695 0.005 . 1 . . . . 255 LEU HA . 16685 1 1618 . 1 1 154 154 LEU HB2 H 1 1.936 0.005 . 2 . . . . 255 LEU HB2 . 16685 1 1619 . 1 1 154 154 LEU HB3 H 1 1.396 0.006 . 2 . . . . 255 LEU HB3 . 16685 1 1620 . 1 1 154 154 LEU HD11 H 1 0.860 0.001 . 2 . . . . 255 LEU HD1 . 16685 1 1621 . 1 1 154 154 LEU HD12 H 1 0.860 0.001 . 2 . . . . 255 LEU HD1 . 16685 1 1622 . 1 1 154 154 LEU HD13 H 1 0.860 0.001 . 2 . . . . 255 LEU HD1 . 16685 1 1623 . 1 1 154 154 LEU HD21 H 1 0.782 0.006 . 2 . . . . 255 LEU HD2 . 16685 1 1624 . 1 1 154 154 LEU HD22 H 1 0.782 0.006 . 2 . . . . 255 LEU HD2 . 16685 1 1625 . 1 1 154 154 LEU HD23 H 1 0.782 0.006 . 2 . . . . 255 LEU HD2 . 16685 1 1626 . 1 1 154 154 LEU HG H 1 1.542 0.007 . 1 . . . . 255 LEU HG . 16685 1 1627 . 1 1 154 154 LEU CA C 13 53.874 0.062 . 1 . . . . 255 LEU CA . 16685 1 1628 . 1 1 154 154 LEU CB C 13 42.577 0.067 . 1 . . . . 255 LEU CB . 16685 1 1629 . 1 1 154 154 LEU CD1 C 13 24.836 0.041 . 2 . . . . 255 LEU CD1 . 16685 1 1630 . 1 1 154 154 LEU CD2 C 13 23.460 0.048 . 2 . . . . 255 LEU CD2 . 16685 1 1631 . 1 1 154 154 LEU CG C 13 27.220 0.017 . 1 . . . . 255 LEU CG . 16685 1 1632 . 1 1 154 154 LEU N N 15 125.722 0.019 . 1 . . . . 255 LEU N . 16685 1 1633 . 1 1 155 155 THR H H 1 10.019 0.005 . 1 . . . . 256 THR H . 16685 1 1634 . 1 1 155 155 THR HA H 1 3.928 0.002 . 1 . . . . 256 THR HA . 16685 1 1635 . 1 1 155 155 THR HB H 1 4.229 0.006 . 1 . . . . 256 THR HB . 16685 1 1636 . 1 1 155 155 THR HG21 H 1 0.991 0.008 . 1 . . . . 256 THR HG2 . 16685 1 1637 . 1 1 155 155 THR HG22 H 1 0.991 0.008 . 1 . . . . 256 THR HG2 . 16685 1 1638 . 1 1 155 155 THR HG23 H 1 0.991 0.008 . 1 . . . . 256 THR HG2 . 16685 1 1639 . 1 1 155 155 THR CA C 13 65.041 0.047 . 1 . . . . 256 THR CA . 16685 1 1640 . 1 1 155 155 THR CB C 13 68.388 0.037 . 1 . . . . 256 THR CB . 16685 1 1641 . 1 1 155 155 THR CG2 C 13 22.871 0.160 . 1 . . . . 256 THR CG2 . 16685 1 1642 . 1 1 155 155 THR N N 15 123.279 0.021 . 1 . . . . 256 THR N . 16685 1 1643 . 1 1 156 156 LYS H H 1 9.272 0.003 . 1 . . . . 257 LYS H . 16685 1 1644 . 1 1 156 156 LYS HA H 1 4.604 0.005 . 1 . . . . 257 LYS HA . 16685 1 1645 . 1 1 156 156 LYS HB2 H 1 1.799 0.006 . 2 . . . . 257 LYS HB2 . 16685 1 1646 . 1 1 156 156 LYS HB3 H 1 1.799 0.006 . 2 . . . . 257 LYS HB3 . 16685 1 1647 . 1 1 156 156 LYS HG2 H 1 1.441 0.008 . 2 . . . . 257 LYS HG2 . 16685 1 1648 . 1 1 156 156 LYS HG3 H 1 1.441 0.008 . 2 . . . . 257 LYS HG3 . 16685 1 1649 . 1 1 156 156 LYS CA C 13 56.410 0.052 . 1 . . . . 257 LYS CA . 16685 1 1650 . 1 1 156 156 LYS CB C 13 34.768 0.065 . 1 . . . . 257 LYS CB . 16685 1 1651 . 1 1 156 156 LYS CD C 13 28.971 0.000 . 1 . . . . 257 LYS CD . 16685 1 1652 . 1 1 156 156 LYS CE C 13 41.925 0.000 . 1 . . . . 257 LYS CE . 16685 1 1653 . 1 1 156 156 LYS CG C 13 24.586 0.123 . 1 . . . . 257 LYS CG . 16685 1 1654 . 1 1 156 156 LYS N N 15 129.005 0.012 . 1 . . . . 257 LYS N . 16685 1 1655 . 1 1 157 157 VAL H H 1 7.614 0.006 . 1 . . . . 258 VAL H . 16685 1 1656 . 1 1 157 157 VAL HA H 1 4.446 0.001 . 1 . . . . 258 VAL HA . 16685 1 1657 . 1 1 157 157 VAL HB H 1 1.702 0.005 . 1 . . . . 258 VAL HB . 16685 1 1658 . 1 1 157 157 VAL HG11 H 1 0.743 0.006 . 2 . . . . 258 VAL HG1 . 16685 1 1659 . 1 1 157 157 VAL HG12 H 1 0.743 0.006 . 2 . . . . 258 VAL HG1 . 16685 1 1660 . 1 1 157 157 VAL HG13 H 1 0.743 0.006 . 2 . . . . 258 VAL HG1 . 16685 1 1661 . 1 1 157 157 VAL HG21 H 1 0.340 0.008 . 2 . . . . 258 VAL HG2 . 16685 1 1662 . 1 1 157 157 VAL HG22 H 1 0.340 0.008 . 2 . . . . 258 VAL HG2 . 16685 1 1663 . 1 1 157 157 VAL HG23 H 1 0.340 0.008 . 2 . . . . 258 VAL HG2 . 16685 1 1664 . 1 1 157 157 VAL CA C 13 60.687 0.036 . 1 . . . . 258 VAL CA . 16685 1 1665 . 1 1 157 157 VAL CB C 13 36.121 0.053 . 1 . . . . 258 VAL CB . 16685 1 1666 . 1 1 157 157 VAL CG1 C 13 21.849 0.034 . 2 . . . . 258 VAL CG1 . 16685 1 1667 . 1 1 157 157 VAL CG2 C 13 21.061 0.029 . 2 . . . . 258 VAL CG2 . 16685 1 1668 . 1 1 157 157 VAL N N 15 119.874 0.035 . 1 . . . . 258 VAL N . 16685 1 1669 . 1 1 158 158 ALA H H 1 9.029 0.002 . 1 . . . . 259 ALA H . 16685 1 1670 . 1 1 158 158 ALA HA H 1 5.028 0.006 . 1 . . . . 259 ALA HA . 16685 1 1671 . 1 1 158 158 ALA HB1 H 1 1.135 0.006 . 1 . . . . 259 ALA HB . 16685 1 1672 . 1 1 158 158 ALA HB2 H 1 1.135 0.006 . 1 . . . . 259 ALA HB . 16685 1 1673 . 1 1 158 158 ALA HB3 H 1 1.135 0.006 . 1 . . . . 259 ALA HB . 16685 1 1674 . 1 1 158 158 ALA CA C 13 49.147 0.044 . 1 . . . . 259 ALA CA . 16685 1 1675 . 1 1 158 158 ALA CB C 13 22.763 0.081 . 1 . . . . 259 ALA CB . 16685 1 1676 . 1 1 158 158 ALA N N 15 127.794 0.014 . 1 . . . . 259 ALA N . 16685 1 1677 . 1 1 159 159 TYR H H 1 8.913 0.003 . 1 . . . . 260 TYR H . 16685 1 1678 . 1 1 159 159 TYR HA H 1 5.278 0.006 . 1 . . . . 260 TYR HA . 16685 1 1679 . 1 1 159 159 TYR HB2 H 1 2.737 0.007 . 2 . . . . 260 TYR HB2 . 16685 1 1680 . 1 1 159 159 TYR HB3 H 1 2.548 0.015 . 2 . . . . 260 TYR HB3 . 16685 1 1681 . 1 1 159 159 TYR HD1 H 1 6.667 0.016 . 3 . . . . 260 TYR HD1 . 16685 1 1682 . 1 1 159 159 TYR HD2 H 1 6.667 0.016 . 3 . . . . 260 TYR HD2 . 16685 1 1683 . 1 1 159 159 TYR HE1 H 1 6.662 0.012 . 3 . . . . 260 TYR HE1 . 16685 1 1684 . 1 1 159 159 TYR HE2 H 1 6.662 0.012 . 3 . . . . 260 TYR HE2 . 16685 1 1685 . 1 1 159 159 TYR CA C 13 57.475 0.051 . 1 . . . . 260 TYR CA . 16685 1 1686 . 1 1 159 159 TYR CB C 13 38.672 0.099 . 1 . . . . 260 TYR CB . 16685 1 1687 . 1 1 159 159 TYR CD1 C 13 131.762 0.046 . 3 . . . . 260 TYR CD1 . 16685 1 1688 . 1 1 159 159 TYR CE1 C 13 117.551 0.023 . 3 . . . . 260 TYR CE1 . 16685 1 1689 . 1 1 159 159 TYR N N 15 121.775 0.031 . 1 . . . . 260 TYR N . 16685 1 1690 . 1 1 160 160 VAL H H 1 9.400 0.002 . 1 . . . . 261 VAL H . 16685 1 1691 . 1 1 160 160 VAL HA H 1 4.622 0.006 . 1 . . . . 261 VAL HA . 16685 1 1692 . 1 1 160 160 VAL HB H 1 1.948 0.003 . 1 . . . . 261 VAL HB . 16685 1 1693 . 1 1 160 160 VAL HG11 H 1 0.811 0.005 . 2 . . . . 261 VAL HG1 . 16685 1 1694 . 1 1 160 160 VAL HG12 H 1 0.811 0.005 . 2 . . . . 261 VAL HG1 . 16685 1 1695 . 1 1 160 160 VAL HG13 H 1 0.811 0.005 . 2 . . . . 261 VAL HG1 . 16685 1 1696 . 1 1 160 160 VAL HG21 H 1 0.550 0.005 . 2 . . . . 261 VAL HG2 . 16685 1 1697 . 1 1 160 160 VAL HG22 H 1 0.550 0.005 . 2 . . . . 261 VAL HG2 . 16685 1 1698 . 1 1 160 160 VAL HG23 H 1 0.550 0.005 . 2 . . . . 261 VAL HG2 . 16685 1 1699 . 1 1 160 160 VAL CA C 13 60.550 0.024 . 1 . . . . 261 VAL CA . 16685 1 1700 . 1 1 160 160 VAL CB C 13 35.320 0.051 . 1 . . . . 261 VAL CB . 16685 1 1701 . 1 1 160 160 VAL CG1 C 13 22.150 0.115 . 2 . . . . 261 VAL CG1 . 16685 1 1702 . 1 1 160 160 VAL CG2 C 13 20.202 0.020 . 2 . . . . 261 VAL CG2 . 16685 1 1703 . 1 1 160 160 VAL N N 15 124.840 0.016 . 1 . . . . 261 VAL N . 16685 1 1704 . 1 1 161 161 LYS H H 1 9.372 0.003 . 1 . . . . 262 LYS H . 16685 1 1705 . 1 1 161 161 LYS HA H 1 4.900 0.004 . 1 . . . . 262 LYS HA . 16685 1 1706 . 1 1 161 161 LYS HB2 H 1 1.960 0.005 . 2 . . . . 262 LYS HB2 . 16685 1 1707 . 1 1 161 161 LYS HB3 H 1 1.668 0.013 . 2 . . . . 262 LYS HB3 . 16685 1 1708 . 1 1 161 161 LYS CA C 13 53.536 0.088 . 1 . . . . 262 LYS CA . 16685 1 1709 . 1 1 161 161 LYS CB C 13 34.998 0.045 . 1 . . . . 262 LYS CB . 16685 1 1710 . 1 1 161 161 LYS N N 15 133.889 0.016 . 1 . . . . 262 LYS N . 16685 1 1711 . 1 1 162 162 PRO HA H 1 4.645 0.004 . 1 . . . . 263 PRO HA . 16685 1 1712 . 1 1 162 162 PRO HB2 H 1 2.565 0.009 . 2 . . . . 263 PRO HB2 . 16685 1 1713 . 1 1 162 162 PRO HB3 H 1 2.451 0.007 . 2 . . . . 263 PRO HB3 . 16685 1 1714 . 1 1 162 162 PRO HD2 H 1 4.441 0.009 . 2 . . . . 263 PRO HD2 . 16685 1 1715 . 1 1 162 162 PRO HD3 H 1 4.092 0.007 . 2 . . . . 263 PRO HD3 . 16685 1 1716 . 1 1 162 162 PRO HG2 H 1 2.425 0.012 . 2 . . . . 263 PRO HG2 . 16685 1 1717 . 1 1 162 162 PRO HG3 H 1 1.837 0.011 . 2 . . . . 263 PRO HG3 . 16685 1 1718 . 1 1 162 162 PRO CA C 13 62.979 0.024 . 1 . . . . 263 PRO CA . 16685 1 1719 . 1 1 162 162 PRO CB C 13 31.294 0.034 . 1 . . . . 263 PRO CB . 16685 1 1720 . 1 1 162 162 PRO CD C 13 51.684 0.017 . 1 . . . . 263 PRO CD . 16685 1 1721 . 1 1 162 162 PRO CG C 13 27.559 0.025 . 1 . . . . 263 PRO CG . 16685 1 1722 . 1 1 163 163 ALA H H 1 8.807 0.002 . 1 . . . . 264 ALA H . 16685 1 1723 . 1 1 163 163 ALA HA H 1 4.220 0.015 . 1 . . . . 264 ALA HA . 16685 1 1724 . 1 1 163 163 ALA HB1 H 1 1.258 0.010 . 1 . . . . 264 ALA HB . 16685 1 1725 . 1 1 163 163 ALA HB2 H 1 1.258 0.010 . 1 . . . . 264 ALA HB . 16685 1 1726 . 1 1 163 163 ALA HB3 H 1 1.258 0.010 . 1 . . . . 264 ALA HB . 16685 1 1727 . 1 1 163 163 ALA CA C 13 53.383 0.097 . 1 . . . . 264 ALA CA . 16685 1 1728 . 1 1 163 163 ALA CB C 13 19.150 0.063 . 1 . . . . 264 ALA CB . 16685 1 1729 . 1 1 163 163 ALA N N 15 128.083 0.021 . 1 . . . . 264 ALA N . 16685 1 1730 . 1 1 164 164 ALA H H 1 8.609 0.003 . 1 . . . . 265 ALA H . 16685 1 1731 . 1 1 164 164 ALA HA H 1 4.072 0.002 . 1 . . . . 265 ALA HA . 16685 1 1732 . 1 1 164 164 ALA HB1 H 1 1.070 0.006 . 1 . . . . 265 ALA HB . 16685 1 1733 . 1 1 164 164 ALA HB2 H 1 1.070 0.006 . 1 . . . . 265 ALA HB . 16685 1 1734 . 1 1 164 164 ALA HB3 H 1 1.070 0.006 . 1 . . . . 265 ALA HB . 16685 1 1735 . 1 1 164 164 ALA CA C 13 51.341 0.126 . 1 . . . . 265 ALA CA . 16685 1 1736 . 1 1 164 164 ALA CB C 13 20.352 0.069 . 1 . . . . 265 ALA CB . 16685 1 1737 . 1 1 164 164 ALA N N 15 122.405 0.015 . 1 . . . . 265 ALA N . 16685 1 1738 . 1 1 165 165 ASP H H 1 8.044 0.002 . 1 . . . . 266 ASP H . 16685 1 1739 . 1 1 165 165 ASP HA H 1 4.654 0.004 . 1 . . . . 266 ASP HA . 16685 1 1740 . 1 1 165 165 ASP HB2 H 1 3.028 0.003 . 2 . . . . 266 ASP HB2 . 16685 1 1741 . 1 1 165 165 ASP HB3 H 1 2.633 0.002 . 2 . . . . 266 ASP HB3 . 16685 1 1742 . 1 1 165 165 ASP CA C 13 53.185 0.128 . 1 . . . . 266 ASP CA . 16685 1 1743 . 1 1 165 165 ASP CB C 13 40.586 0.029 . 1 . . . . 266 ASP CB . 16685 1 1744 . 1 1 165 165 ASP N N 15 120.375 0.022 . 1 . . . . 266 ASP N . 16685 1 1745 . 1 1 166 166 LEU H H 1 8.360 0.002 . 1 . . . . 267 LEU H . 16685 1 1746 . 1 1 166 166 LEU HA H 1 4.102 0.005 . 1 . . . . 267 LEU HA . 16685 1 1747 . 1 1 166 166 LEU HB2 H 1 1.698 0.005 . 2 . . . . 267 LEU HB2 . 16685 1 1748 . 1 1 166 166 LEU HB3 H 1 1.587 0.003 . 2 . . . . 267 LEU HB3 . 16685 1 1749 . 1 1 166 166 LEU HD11 H 1 0.812 0.004 . 2 . . . . 267 LEU HD1 . 16685 1 1750 . 1 1 166 166 LEU HD12 H 1 0.812 0.004 . 2 . . . . 267 LEU HD1 . 16685 1 1751 . 1 1 166 166 LEU HD13 H 1 0.812 0.004 . 2 . . . . 267 LEU HD1 . 16685 1 1752 . 1 1 166 166 LEU HD21 H 1 0.895 0.002 . 2 . . . . 267 LEU HD2 . 16685 1 1753 . 1 1 166 166 LEU HD22 H 1 0.895 0.002 . 2 . . . . 267 LEU HD2 . 16685 1 1754 . 1 1 166 166 LEU HD23 H 1 0.895 0.002 . 2 . . . . 267 LEU HD2 . 16685 1 1755 . 1 1 166 166 LEU HG H 1 1.809 0.007 . 1 . . . . 267 LEU HG . 16685 1 1756 . 1 1 166 166 LEU CA C 13 55.715 0.056 . 1 . . . . 267 LEU CA . 16685 1 1757 . 1 1 166 166 LEU CB C 13 40.992 0.022 . 1 . . . . 267 LEU CB . 16685 1 1758 . 1 1 166 166 LEU CD1 C 13 25.649 0.072 . 2 . . . . 267 LEU CD1 . 16685 1 1759 . 1 1 166 166 LEU CD2 C 13 23.656 0.061 . 2 . . . . 267 LEU CD2 . 16685 1 1760 . 1 1 166 166 LEU CG C 13 27.004 0.051 . 1 . . . . 267 LEU CG . 16685 1 1761 . 1 1 166 166 LEU N N 15 125.291 0.016 . 1 . . . . 267 LEU N . 16685 1 1762 . 1 1 167 167 THR H H 1 8.515 0.004 . 1 . . . . 268 THR H . 16685 1 1763 . 1 1 167 167 THR HA H 1 4.286 0.006 . 1 . . . . 268 THR HA . 16685 1 1764 . 1 1 167 167 THR HB H 1 4.394 0.006 . 1 . . . . 268 THR HB . 16685 1 1765 . 1 1 167 167 THR HG21 H 1 1.279 0.010 . 1 . . . . 268 THR HG2 . 16685 1 1766 . 1 1 167 167 THR HG22 H 1 1.279 0.010 . 1 . . . . 268 THR HG2 . 16685 1 1767 . 1 1 167 167 THR HG23 H 1 1.279 0.010 . 1 . . . . 268 THR HG2 . 16685 1 1768 . 1 1 167 167 THR CA C 13 63.548 0.028 . 1 . . . . 268 THR CA . 16685 1 1769 . 1 1 167 167 THR CB C 13 69.456 0.050 . 1 . . . . 268 THR CB . 16685 1 1770 . 1 1 167 167 THR CG2 C 13 21.646 0.011 . 1 . . . . 268 THR CG2 . 16685 1 1771 . 1 1 167 167 THR N N 15 113.047 0.027 . 1 . . . . 268 THR N . 16685 1 1772 . 1 1 168 168 ASP H H 1 7.509 0.002 . 1 . . . . 269 ASP H . 16685 1 1773 . 1 1 168 168 ASP HA H 1 4.826 0.008 . 1 . . . . 269 ASP HA . 16685 1 1774 . 1 1 168 168 ASP HB2 H 1 2.684 0.003 . 2 . . . . 269 ASP HB2 . 16685 1 1775 . 1 1 168 168 ASP HB3 H 1 2.350 0.003 . 2 . . . . 269 ASP HB3 . 16685 1 1776 . 1 1 168 168 ASP CA C 13 53.177 0.065 . 1 . . . . 269 ASP CA . 16685 1 1777 . 1 1 168 168 ASP CB C 13 41.226 0.053 . 1 . . . . 269 ASP CB . 16685 1 1778 . 1 1 168 168 ASP N N 15 124.959 0.020 . 1 . . . . 269 ASP N . 16685 1 1779 . 1 1 169 169 LEU H H 1 7.573 0.003 . 1 . . . . 270 LEU H . 16685 1 1780 . 1 1 169 169 LEU HA H 1 4.582 0.007 . 1 . . . . 270 LEU HA . 16685 1 1781 . 1 1 169 169 LEU HB2 H 1 1.491 0.013 . 2 . . . . 270 LEU HB2 . 16685 1 1782 . 1 1 169 169 LEU HB3 H 1 0.999 0.012 . 2 . . . . 270 LEU HB3 . 16685 1 1783 . 1 1 169 169 LEU HD21 H 1 0.814 0.000 . 2 . . . . 270 LEU HD2 . 16685 1 1784 . 1 1 169 169 LEU HD22 H 1 0.814 0.000 . 2 . . . . 270 LEU HD2 . 16685 1 1785 . 1 1 169 169 LEU HD23 H 1 0.814 0.000 . 2 . . . . 270 LEU HD2 . 16685 1 1786 . 1 1 169 169 LEU HG H 1 1.421 0.001 . 1 . . . . 270 LEU HG . 16685 1 1787 . 1 1 169 169 LEU CA C 13 53.499 0.049 . 1 . . . . 270 LEU CA . 16685 1 1788 . 1 1 169 169 LEU CB C 13 44.670 0.040 . 1 . . . . 270 LEU CB . 16685 1 1789 . 1 1 169 169 LEU CD1 C 13 27.309 0.000 . 2 . . . . 270 LEU CD1 . 16685 1 1790 . 1 1 169 169 LEU CD2 C 13 24.498 0.002 . 2 . . . . 270 LEU CD2 . 16685 1 1791 . 1 1 169 169 LEU CG C 13 26.264 0.010 . 1 . . . . 270 LEU CG . 16685 1 1792 . 1 1 169 169 LEU N N 15 122.654 0.013 . 1 . . . . 270 LEU N . 16685 1 1793 . 1 1 170 170 ASN H H 1 9.192 0.005 . 1 . . . . 271 ASN H . 16685 1 1794 . 1 1 170 170 ASN HA H 1 4.832 0.006 . 1 . . . . 271 ASN HA . 16685 1 1795 . 1 1 170 170 ASN HB2 H 1 2.794 0.003 . 2 . . . . 271 ASN HB2 . 16685 1 1796 . 1 1 170 170 ASN HB3 H 1 2.794 0.003 . 2 . . . . 271 ASN HB3 . 16685 1 1797 . 1 1 170 170 ASN HD21 H 1 7.479 0.000 . 2 . . . . 271 ASN HD21 . 16685 1 1798 . 1 1 170 170 ASN HD22 H 1 6.797 0.000 . 2 . . . . 271 ASN HD22 . 16685 1 1799 . 1 1 170 170 ASN CA C 13 55.124 0.065 . 1 . . . . 271 ASN CA . 16685 1 1800 . 1 1 170 170 ASN CB C 13 39.998 0.035 . 1 . . . . 271 ASN CB . 16685 1 1801 . 1 1 170 170 ASN N N 15 122.316 0.031 . 1 . . . . 271 ASN N . 16685 1 1802 . 1 1 170 170 ASN ND2 N 15 115.084 0.001 . 1 . . . . 271 ASN ND2 . 16685 1 1803 . 1 1 171 171 ASN H H 1 8.705 0.005 . 1 . . . . 272 ASN H . 16685 1 1804 . 1 1 171 171 ASN HA H 1 5.353 0.004 . 1 . . . . 272 ASN HA . 16685 1 1805 . 1 1 171 171 ASN HB2 H 1 2.885 0.009 . 2 . . . . 272 ASN HB2 . 16685 1 1806 . 1 1 171 171 ASN HB3 H 1 2.757 0.004 . 2 . . . . 272 ASN HB3 . 16685 1 1807 . 1 1 171 171 ASN HD21 H 1 7.498 0.000 . 2 . . . . 272 ASN HD21 . 16685 1 1808 . 1 1 171 171 ASN HD22 H 1 6.815 0.000 . 2 . . . . 272 ASN HD22 . 16685 1 1809 . 1 1 171 171 ASN CA C 13 53.439 0.078 . 1 . . . . 272 ASN CA . 16685 1 1810 . 1 1 171 171 ASN CB C 13 39.298 0.044 . 1 . . . . 272 ASN CB . 16685 1 1811 . 1 1 171 171 ASN N N 15 121.758 0.038 . 1 . . . . 272 ASN N . 16685 1 1812 . 1 1 171 171 ASN ND2 N 15 114.483 0.000 . 1 . . . . 272 ASN ND2 . 16685 1 1813 . 1 1 172 172 VAL H H 1 8.906 0.002 . 1 . . . . 273 VAL H . 16685 1 1814 . 1 1 172 172 VAL HA H 1 4.904 0.006 . 1 . . . . 273 VAL HA . 16685 1 1815 . 1 1 172 172 VAL HB H 1 2.218 0.007 . 1 . . . . 273 VAL HB . 16685 1 1816 . 1 1 172 172 VAL HG11 H 1 0.550 0.011 . 2 . . . . 273 VAL HG1 . 16685 1 1817 . 1 1 172 172 VAL HG12 H 1 0.550 0.011 . 2 . . . . 273 VAL HG1 . 16685 1 1818 . 1 1 172 172 VAL HG13 H 1 0.550 0.011 . 2 . . . . 273 VAL HG1 . 16685 1 1819 . 1 1 172 172 VAL HG21 H 1 0.465 0.006 . 2 . . . . 273 VAL HG2 . 16685 1 1820 . 1 1 172 172 VAL HG22 H 1 0.465 0.006 . 2 . . . . 273 VAL HG2 . 16685 1 1821 . 1 1 172 172 VAL HG23 H 1 0.465 0.006 . 2 . . . . 273 VAL HG2 . 16685 1 1822 . 1 1 172 172 VAL CA C 13 58.342 0.035 . 1 . . . . 273 VAL CA . 16685 1 1823 . 1 1 172 172 VAL CB C 13 35.046 0.046 . 1 . . . . 273 VAL CB . 16685 1 1824 . 1 1 172 172 VAL CG1 C 13 21.641 0.061 . 2 . . . . 273 VAL CG1 . 16685 1 1825 . 1 1 172 172 VAL CG2 C 13 19.104 0.030 . 2 . . . . 273 VAL CG2 . 16685 1 1826 . 1 1 172 172 VAL N N 15 116.114 0.022 . 1 . . . . 273 VAL N . 16685 1 1827 . 1 1 173 173 ILE H H 1 8.715 0.004 . 1 . . . . 274 ILE H . 16685 1 1828 . 1 1 173 173 ILE HA H 1 4.651 0.001 . 1 . . . . 274 ILE HA . 16685 1 1829 . 1 1 173 173 ILE HB H 1 1.827 0.005 . 1 . . . . 274 ILE HB . 16685 1 1830 . 1 1 173 173 ILE HD11 H 1 0.746 0.014 . 1 . . . . 274 ILE HD1 . 16685 1 1831 . 1 1 173 173 ILE HD12 H 1 0.746 0.014 . 1 . . . . 274 ILE HD1 . 16685 1 1832 . 1 1 173 173 ILE HD13 H 1 0.746 0.014 . 1 . . . . 274 ILE HD1 . 16685 1 1833 . 1 1 173 173 ILE HG12 H 1 1.204 0.006 . 2 . . . . 274 ILE HG12 . 16685 1 1834 . 1 1 173 173 ILE HG13 H 1 0.860 0.000 . 2 . . . . 274 ILE HG13 . 16685 1 1835 . 1 1 173 173 ILE HG21 H 1 0.662 0.016 . 1 . . . . 274 ILE HG2 . 16685 1 1836 . 1 1 173 173 ILE HG22 H 1 0.662 0.016 . 1 . . . . 274 ILE HG2 . 16685 1 1837 . 1 1 173 173 ILE HG23 H 1 0.662 0.016 . 1 . . . . 274 ILE HG2 . 16685 1 1838 . 1 1 173 173 ILE CA C 13 60.170 0.039 . 1 . . . . 274 ILE CA . 16685 1 1839 . 1 1 173 173 ILE CB C 13 39.582 0.040 . 1 . . . . 274 ILE CB . 16685 1 1840 . 1 1 173 173 ILE CD1 C 13 13.203 0.060 . 1 . . . . 274 ILE CD1 . 16685 1 1841 . 1 1 173 173 ILE CG1 C 13 27.348 0.080 . 1 . . . . 274 ILE CG1 . 16685 1 1842 . 1 1 173 173 ILE CG2 C 13 18.203 0.017 . 1 . . . . 274 ILE CG2 . 16685 1 1843 . 1 1 173 173 ILE N N 15 121.660 0.035 . 1 . . . . 274 ILE N . 16685 1 1844 . 1 1 174 174 VAL H H 1 9.352 0.003 . 1 . . . . 275 VAL H . 16685 1 1845 . 1 1 174 174 VAL HA H 1 4.473 0.006 . 1 . . . . 275 VAL HA . 16685 1 1846 . 1 1 174 174 VAL HB H 1 2.120 0.008 . 1 . . . . 275 VAL HB . 16685 1 1847 . 1 1 174 174 VAL HG11 H 1 0.913 0.009 . 2 . . . . 275 VAL HG1 . 16685 1 1848 . 1 1 174 174 VAL HG12 H 1 0.913 0.009 . 2 . . . . 275 VAL HG1 . 16685 1 1849 . 1 1 174 174 VAL HG13 H 1 0.913 0.009 . 2 . . . . 275 VAL HG1 . 16685 1 1850 . 1 1 174 174 VAL HG21 H 1 0.703 0.021 . 2 . . . . 275 VAL HG2 . 16685 1 1851 . 1 1 174 174 VAL HG22 H 1 0.703 0.021 . 2 . . . . 275 VAL HG2 . 16685 1 1852 . 1 1 174 174 VAL HG23 H 1 0.703 0.021 . 2 . . . . 275 VAL HG2 . 16685 1 1853 . 1 1 174 174 VAL CA C 13 61.681 0.042 . 1 . . . . 275 VAL CA . 16685 1 1854 . 1 1 174 174 VAL CB C 13 31.892 0.059 . 1 . . . . 275 VAL CB . 16685 1 1855 . 1 1 174 174 VAL CG1 C 13 23.096 0.123 . 2 . . . . 275 VAL CG1 . 16685 1 1856 . 1 1 174 174 VAL CG2 C 13 21.079 0.094 . 2 . . . . 275 VAL CG2 . 16685 1 1857 . 1 1 174 174 VAL N N 15 128.681 0.024 . 1 . . . . 275 VAL N . 16685 1 1858 . 1 1 175 175 VAL H H 1 8.917 0.002 . 1 . . . . 276 VAL H . 16685 1 1859 . 1 1 175 175 VAL HA H 1 3.864 0.006 . 1 . . . . 276 VAL HA . 16685 1 1860 . 1 1 175 175 VAL HB H 1 2.022 0.005 . 1 . . . . 276 VAL HB . 16685 1 1861 . 1 1 175 175 VAL HG11 H 1 0.654 0.009 . 2 . . . . 276 VAL HG1 . 16685 1 1862 . 1 1 175 175 VAL HG12 H 1 0.654 0.009 . 2 . . . . 276 VAL HG1 . 16685 1 1863 . 1 1 175 175 VAL HG13 H 1 0.654 0.009 . 2 . . . . 276 VAL HG1 . 16685 1 1864 . 1 1 175 175 VAL HG21 H 1 0.582 0.004 . 2 . . . . 276 VAL HG2 . 16685 1 1865 . 1 1 175 175 VAL HG22 H 1 0.582 0.004 . 2 . . . . 276 VAL HG2 . 16685 1 1866 . 1 1 175 175 VAL HG23 H 1 0.582 0.004 . 2 . . . . 276 VAL HG2 . 16685 1 1867 . 1 1 175 175 VAL CA C 13 62.609 0.025 . 1 . . . . 276 VAL CA . 16685 1 1868 . 1 1 175 175 VAL CB C 13 31.381 0.079 . 1 . . . . 276 VAL CB . 16685 1 1869 . 1 1 175 175 VAL CG1 C 13 21.185 0.061 . 2 . . . . 276 VAL CG1 . 16685 1 1870 . 1 1 175 175 VAL CG2 C 13 21.752 0.046 . 2 . . . . 276 VAL CG2 . 16685 1 1871 . 1 1 175 175 VAL N N 15 129.179 0.020 . 1 . . . . 276 VAL N . 16685 1 1872 . 1 1 176 176 ASN H H 1 8.069 0.002 . 1 . . . . 277 ASN H . 16685 1 1873 . 1 1 176 176 ASN HA H 1 4.927 0.010 . 1 . . . . 277 ASN HA . 16685 1 1874 . 1 1 176 176 ASN HB2 H 1 3.183 0.004 . 2 . . . . 277 ASN HB2 . 16685 1 1875 . 1 1 176 176 ASN HB3 H 1 2.579 0.003 . 2 . . . . 277 ASN HB3 . 16685 1 1876 . 1 1 176 176 ASN HD21 H 1 7.364 0.000 . 2 . . . . 277 ASN HD21 . 16685 1 1877 . 1 1 176 176 ASN HD22 H 1 6.792 0.000 . 2 . . . . 277 ASN HD22 . 16685 1 1878 . 1 1 176 176 ASN CA C 13 52.670 0.107 . 1 . . . . 277 ASN CA . 16685 1 1879 . 1 1 176 176 ASN CB C 13 40.130 0.058 . 1 . . . . 277 ASN CB . 16685 1 1880 . 1 1 176 176 ASN N N 15 125.958 0.019 . 1 . . . . 277 ASN N . 16685 1 1881 . 1 1 176 176 ASN ND2 N 15 112.032 0.004 . 1 . . . . 277 ASN ND2 . 16685 1 1882 . 1 1 177 177 ARG H H 1 8.381 0.003 . 1 . . . . 278 ARG H . 16685 1 1883 . 1 1 177 177 ARG HA H 1 4.345 0.006 . 1 . . . . 278 ARG HA . 16685 1 1884 . 1 1 177 177 ARG HB2 H 1 1.822 0.012 . 2 . . . . 278 ARG HB2 . 16685 1 1885 . 1 1 177 177 ARG HB3 H 1 1.727 0.011 . 2 . . . . 278 ARG HB3 . 16685 1 1886 . 1 1 177 177 ARG HD2 H 1 3.028 0.003 . 2 . . . . 278 ARG HD2 . 16685 1 1887 . 1 1 177 177 ARG HD3 H 1 3.028 0.003 . 2 . . . . 278 ARG HD3 . 16685 1 1888 . 1 1 177 177 ARG HG2 H 1 1.575 0.005 . 2 . . . . 278 ARG HG2 . 16685 1 1889 . 1 1 177 177 ARG HG3 H 1 1.575 0.005 . 2 . . . . 278 ARG HG3 . 16685 1 1890 . 1 1 177 177 ARG CA C 13 56.332 0.039 . 1 . . . . 278 ARG CA . 16685 1 1891 . 1 1 177 177 ARG CB C 13 31.369 0.050 . 1 . . . . 278 ARG CB . 16685 1 1892 . 1 1 177 177 ARG CD C 13 43.575 0.036 . 1 . . . . 278 ARG CD . 16685 1 1893 . 1 1 177 177 ARG CG C 13 26.810 0.026 . 1 . . . . 278 ARG CG . 16685 1 1894 . 1 1 177 177 ARG N N 15 125.462 0.015 . 1 . . . . 278 ARG N . 16685 1 1895 . 1 1 178 178 ASP H H 1 7.950 0.002 . 1 . . . . 279 ASP H . 16685 1 1896 . 1 1 178 178 ASP HA H 1 4.415 0.003 . 1 . . . . 279 ASP HA . 16685 1 1897 . 1 1 178 178 ASP HB2 H 1 2.658 0.001 . 2 . . . . 279 ASP HB2 . 16685 1 1898 . 1 1 178 178 ASP HB3 H 1 2.532 0.013 . 2 . . . . 279 ASP HB3 . 16685 1 1899 . 1 1 178 178 ASP CA C 13 56.030 0.046 . 1 . . . . 279 ASP CA . 16685 1 1900 . 1 1 178 178 ASP CB C 13 42.576 0.038 . 1 . . . . 279 ASP CB . 16685 1 1901 . 1 1 178 178 ASP N N 15 127.883 0.012 . 1 . . . . 279 ASP N . 16685 1 stop_ save_