data_6763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6763 _Entry.Title ; 1H, 15N and 13C resonance assignments of the middle domain of human release factor eRF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-08 _Entry.Accession_date 2005-08-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vladimi Polshakov . I. . 6763 2 Berry Birdsall . . . 6763 3 Elena Ivanova . . . 6763 4 Lev Kisselev . L. . 6763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 6763 '15N chemical shifts' 136 6763 '1H chemical shifts' 815 6763 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 . . 2007-02-07 2005-08-08 update BMRB 'complete entry citation' 6763 1 . . 2006-03-10 2005-08-08 original author 'original release' 6763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HST 'BMRB Entry Tracking System' 6763 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 6763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16502324 _Citation.Full_citation . _Citation.Title 'NMR Assignments of the Middle Domain of Human Polypeptide Release Factor eRF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 8 _Citation.Page_last 8 _Citation.Year 2006 _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 Elena Ivanova . V. . 6763 1 2 Peter Kolosov . M. . 6763 1 3 Berry Birdsall . . . 6763 1 4 Lev Kisselev . L. . 6763 1 5 Vladimir Polshakov . I. . 6763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6763 _Assembly.ID 1 _Assembly.Name 'middle domain of human eRF1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6763 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'middle domain of human eRF1' 1 $middle_domain_of_human_eRF1 . . yes native yes no . . . 6763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_middle_domain_of_human_eRF1 _Entity.Sf_category entity _Entity.Sf_framecode middle_domain_of_human_eRF1 _Entity.Entry_ID 6763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'middle domain of human release factor eRF1' _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 ; LSDDSKFGFIVIDGSGALFG TLQGNTREVLHKFTVDLPKK HGRGGQSALRFARLRMEKRH NYVRKVAETAVQLFISGDKV NVAGLVLAGSADFKTELSQS DMFDQRLQSKVLKLVDISYG GENGFNQAIELSTEVL ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14947 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19506 . eRF1 . . . . . 100.00 445 100.00 100.00 1.44e-87 . . . . 6763 1 2 no PDB 1DT9 . "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 3 no PDB 2HST . "Solution Structure Of The Middle Domain Of Human Eukaryotic Translation Termination Factor Erf1" . . . . . 100.00 143 100.00 100.00 3.69e-91 . . . . 6763 1 4 no PDB 3E1Y . "Crystal Structure Of Human Erf1ERF3 COMPLEX" . . . . . 100.00 451 100.00 100.00 1.69e-87 . . . . 6763 1 5 no PDB 3J5Y . "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" . . . . . 100.00 414 100.00 100.00 2.07e-88 . . . . 6763 1 6 no DBJ BAA13439 . "eRF1 [Mus musculus]" . . . . . 100.00 338 99.26 100.00 4.36e-88 . . . . 6763 1 7 no DBJ BAA85489 . "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 8 no DBJ BAC33839 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 99.26 100.00 3.82e-87 . . . . 6763 1 9 no DBJ BAE31210 . "unnamed protein product [Mus musculus]" . . . . . 100.00 387 100.00 100.00 3.13e-88 . . . . 6763 1 10 no DBJ BAE31619 . "unnamed protein product [Mus musculus]" . . . . . 100.00 387 100.00 100.00 3.13e-88 . . . . 6763 1 11 no EMBL CAA37987 . "suppressor [Xenopus laevis]" . . . . . 100.00 437 100.00 100.00 5.47e-88 . . . . 6763 1 12 no EMBL CAA57281 . "C11 protein [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 13 no EMBL CAA57282 . "C11 protein [Mesocricetus auratus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 14 no EMBL CAA78620 . "XLCL1 [Xenopus laevis]" . . . . . 100.00 437 100.00 100.00 5.47e-88 . . . . 6763 1 15 no EMBL CAH93389 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 437 100.00 100.00 6.57e-88 . . . . 6763 1 16 no GB AAA36665 . "TB3-1 [Homo sapiens]" . . . . . 100.00 428 100.00 100.00 2.59e-88 . . . . 6763 1 17 no GB AAB49726 . "eukaryotic release factor 1 [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 18 no GB AAD43966 . "eRF1 [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 19 no GB AAH13717 . "Eukaryotic translation termination factor 1 [Mus musculus]" . . . . . 100.00 437 100.00 100.00 7.48e-88 . . . . 6763 1 20 no GB AAH14269 . "ETF1 protein [Homo sapiens]" . . . . . 100.00 404 100.00 100.00 3.95e-88 . . . . 6763 1 21 no REF NP_001008345 . "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 22 no REF NP_001069722 . "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 23 no REF NP_001076236 . "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 24 no REF NP_001084363 . "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" . . . . . 100.00 437 100.00 100.00 5.47e-88 . . . . 6763 1 25 no REF NP_001126989 . "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" . . . . . 100.00 437 100.00 100.00 6.57e-88 . . . . 6763 1 26 no SP P35615 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" . . . . . 100.00 437 100.00 100.00 5.47e-88 . . . . 6763 1 27 no SP P62495 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 28 no SP P62496 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 29 no SP P62497 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1 [Oryctolagus cun" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 1 30 no SP P62498 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1 [Xenopus (Silura" . . . . . 100.00 437 100.00 100.00 7.64e-88 . . . . 6763 1 31 no TPG DAA27419 . "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 100.00 437 100.00 100.00 7.24e-88 . . . . 6763 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 1 140 LEU . 6763 1 2 141 SER . 6763 1 3 142 ASP . 6763 1 4 143 ASP . 6763 1 5 144 SER . 6763 1 6 145 LYS . 6763 1 7 146 PHE . 6763 1 8 147 GLY . 6763 1 9 148 PHE . 6763 1 10 149 ILE . 6763 1 11 150 VAL . 6763 1 12 151 ILE . 6763 1 13 152 ASP . 6763 1 14 153 GLY . 6763 1 15 154 SER . 6763 1 16 155 GLY . 6763 1 17 156 ALA . 6763 1 18 157 LEU . 6763 1 19 158 PHE . 6763 1 20 159 GLY . 6763 1 21 160 THR . 6763 1 22 161 LEU . 6763 1 23 162 GLN . 6763 1 24 163 GLY . 6763 1 25 164 ASN . 6763 1 26 165 THR . 6763 1 27 166 ARG . 6763 1 28 167 GLU . 6763 1 29 168 VAL . 6763 1 30 169 LEU . 6763 1 31 170 HIS . 6763 1 32 171 LYS . 6763 1 33 172 PHE . 6763 1 34 173 THR . 6763 1 35 174 VAL . 6763 1 36 175 ASP . 6763 1 37 176 LEU . 6763 1 38 177 PRO . 6763 1 39 178 LYS . 6763 1 40 179 LYS . 6763 1 41 180 HIS . 6763 1 42 181 GLY . 6763 1 43 182 ARG . 6763 1 44 183 GLY . 6763 1 45 184 GLY . 6763 1 46 185 GLN . 6763 1 47 186 SER . 6763 1 48 187 ALA . 6763 1 49 188 LEU . 6763 1 50 189 ARG . 6763 1 51 190 PHE . 6763 1 52 191 ALA . 6763 1 53 192 ARG . 6763 1 54 193 LEU . 6763 1 55 194 ARG . 6763 1 56 195 MET . 6763 1 57 196 GLU . 6763 1 58 197 LYS . 6763 1 59 198 ARG . 6763 1 60 199 HIS . 6763 1 61 200 ASN . 6763 1 62 201 TYR . 6763 1 63 202 VAL . 6763 1 64 203 ARG . 6763 1 65 204 LYS . 6763 1 66 205 VAL . 6763 1 67 206 ALA . 6763 1 68 207 GLU . 6763 1 69 208 THR . 6763 1 70 209 ALA . 6763 1 71 210 VAL . 6763 1 72 211 GLN . 6763 1 73 212 LEU . 6763 1 74 213 PHE . 6763 1 75 214 ILE . 6763 1 76 215 SER . 6763 1 77 216 GLY . 6763 1 78 217 ASP . 6763 1 79 218 LYS . 6763 1 80 219 VAL . 6763 1 81 220 ASN . 6763 1 82 221 VAL . 6763 1 83 222 ALA . 6763 1 84 223 GLY . 6763 1 85 224 LEU . 6763 1 86 225 VAL . 6763 1 87 226 LEU . 6763 1 88 227 ALA . 6763 1 89 228 GLY . 6763 1 90 229 SER . 6763 1 91 230 ALA . 6763 1 92 231 ASP . 6763 1 93 232 PHE . 6763 1 94 233 LYS . 6763 1 95 234 THR . 6763 1 96 235 GLU . 6763 1 97 236 LEU . 6763 1 98 237 SER . 6763 1 99 238 GLN . 6763 1 100 239 SER . 6763 1 101 240 ASP . 6763 1 102 241 MET . 6763 1 103 242 PHE . 6763 1 104 243 ASP . 6763 1 105 244 GLN . 6763 1 106 245 ARG . 6763 1 107 246 LEU . 6763 1 108 247 GLN . 6763 1 109 248 SER . 6763 1 110 249 LYS . 6763 1 111 250 VAL . 6763 1 112 251 LEU . 6763 1 113 252 LYS . 6763 1 114 253 LEU . 6763 1 115 254 VAL . 6763 1 116 255 ASP . 6763 1 117 256 ILE . 6763 1 118 257 SER . 6763 1 119 258 TYR . 6763 1 120 259 GLY . 6763 1 121 260 GLY . 6763 1 122 261 GLU . 6763 1 123 262 ASN . 6763 1 124 263 GLY . 6763 1 125 264 PHE . 6763 1 126 265 ASN . 6763 1 127 266 GLN . 6763 1 128 267 ALA . 6763 1 129 268 ILE . 6763 1 130 269 GLU . 6763 1 131 270 LEU . 6763 1 132 271 SER . 6763 1 133 272 THR . 6763 1 134 273 GLU . 6763 1 135 274 VAL . 6763 1 136 275 LEU . 6763 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 . LEU 1 1 6763 1 . SER 2 2 6763 1 . ASP 3 3 6763 1 . ASP 4 4 6763 1 . SER 5 5 6763 1 . LYS 6 6 6763 1 . PHE 7 7 6763 1 . GLY 8 8 6763 1 . PHE 9 9 6763 1 . ILE 10 10 6763 1 . VAL 11 11 6763 1 . ILE 12 12 6763 1 . ASP 13 13 6763 1 . GLY 14 14 6763 1 . SER 15 15 6763 1 . GLY 16 16 6763 1 . ALA 17 17 6763 1 . LEU 18 18 6763 1 . PHE 19 19 6763 1 . GLY 20 20 6763 1 . THR 21 21 6763 1 . LEU 22 22 6763 1 . GLN 23 23 6763 1 . GLY 24 24 6763 1 . ASN 25 25 6763 1 . THR 26 26 6763 1 . ARG 27 27 6763 1 . GLU 28 28 6763 1 . VAL 29 29 6763 1 . LEU 30 30 6763 1 . HIS 31 31 6763 1 . LYS 32 32 6763 1 . PHE 33 33 6763 1 . THR 34 34 6763 1 . VAL 35 35 6763 1 . ASP 36 36 6763 1 . LEU 37 37 6763 1 . PRO 38 38 6763 1 . LYS 39 39 6763 1 . LYS 40 40 6763 1 . HIS 41 41 6763 1 . GLY 42 42 6763 1 . ARG 43 43 6763 1 . GLY 44 44 6763 1 . GLY 45 45 6763 1 . GLN 46 46 6763 1 . SER 47 47 6763 1 . ALA 48 48 6763 1 . LEU 49 49 6763 1 . ARG 50 50 6763 1 . PHE 51 51 6763 1 . ALA 52 52 6763 1 . ARG 53 53 6763 1 . LEU 54 54 6763 1 . ARG 55 55 6763 1 . MET 56 56 6763 1 . GLU 57 57 6763 1 . LYS 58 58 6763 1 . ARG 59 59 6763 1 . HIS 60 60 6763 1 . ASN 61 61 6763 1 . TYR 62 62 6763 1 . VAL 63 63 6763 1 . ARG 64 64 6763 1 . LYS 65 65 6763 1 . VAL 66 66 6763 1 . ALA 67 67 6763 1 . GLU 68 68 6763 1 . THR 69 69 6763 1 . ALA 70 70 6763 1 . VAL 71 71 6763 1 . GLN 72 72 6763 1 . LEU 73 73 6763 1 . PHE 74 74 6763 1 . ILE 75 75 6763 1 . SER 76 76 6763 1 . GLY 77 77 6763 1 . ASP 78 78 6763 1 . LYS 79 79 6763 1 . VAL 80 80 6763 1 . ASN 81 81 6763 1 . VAL 82 82 6763 1 . ALA 83 83 6763 1 . GLY 84 84 6763 1 . LEU 85 85 6763 1 . VAL 86 86 6763 1 . LEU 87 87 6763 1 . ALA 88 88 6763 1 . GLY 89 89 6763 1 . SER 90 90 6763 1 . ALA 91 91 6763 1 . ASP 92 92 6763 1 . PHE 93 93 6763 1 . LYS 94 94 6763 1 . THR 95 95 6763 1 . GLU 96 96 6763 1 . LEU 97 97 6763 1 . SER 98 98 6763 1 . GLN 99 99 6763 1 . SER 100 100 6763 1 . ASP 101 101 6763 1 . MET 102 102 6763 1 . PHE 103 103 6763 1 . ASP 104 104 6763 1 . GLN 105 105 6763 1 . ARG 106 106 6763 1 . LEU 107 107 6763 1 . GLN 108 108 6763 1 . SER 109 109 6763 1 . LYS 110 110 6763 1 . VAL 111 111 6763 1 . LEU 112 112 6763 1 . LYS 113 113 6763 1 . LEU 114 114 6763 1 . VAL 115 115 6763 1 . ASP 116 116 6763 1 . ILE 117 117 6763 1 . SER 118 118 6763 1 . TYR 119 119 6763 1 . GLY 120 120 6763 1 . GLY 121 121 6763 1 . GLU 122 122 6763 1 . ASN 123 123 6763 1 . GLY 124 124 6763 1 . PHE 125 125 6763 1 . ASN 126 126 6763 1 . GLN 127 127 6763 1 . ALA 128 128 6763 1 . ILE 129 129 6763 1 . GLU 130 130 6763 1 . LEU 131 131 6763 1 . SER 132 132 6763 1 . THR 133 133 6763 1 . GLU 134 134 6763 1 . VAL 135 135 6763 1 . LEU 136 136 6763 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 6763 _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 $middle_domain_of_human_eRF1 . 9606 organism no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6763 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 6763 _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 $middle_domain_of_human_eRF1 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET23b(+) . Novagen . . . . 6763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'middle domain of human release factor eRF1' '[U-95% 13C; U-95% 15N]' . . 1 $middle_domain_of_human_eRF1 . protein 1.2 . . mM 0.2 . . . 6763 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6763 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'middle domain of human release factor eRF1' '[U-95% 15N]' . . 1 $middle_domain_of_human_eRF1 . protein 1.2 . . mM 0.2 . . . 6763 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6763 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6763 1 pressure 1 0.01 atm 6763 1 temperature 298 0.1 K 6763 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6763 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' 'NIH Laboratory of Chemical Physics, NIDDK' . 6763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 6763 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6763 _Software.ID 2 _Software.Name AutoAssign _Software.Version 1.11.00 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G.T. Montelione' . . 6763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak assignments' 6763 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6763 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard' 'University of California, San Francisco' . 6763 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_INOVA _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_INOVA _NMR_spectrometer.Entry_ID 6763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600MHz_AVANCE _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_AVANCE _NMR_spectrometer.Entry_ID 6763 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_INOVA _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_INOVA _NMR_spectrometer.Entry_ID 6763 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_500MHz_UNITY _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_UNITY _NMR_spectrometer.Entry_ID 6763 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6763 _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 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 2 1H13C_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 3 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 4 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 5 HN(CO)CA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 6 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 7 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 8 HBHA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 9 HCCH_TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 10 15N_NOESY_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 11 13C_NOESY_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6763 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $Citation_1 . . 1 $Citation_1 6763 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $Citation_1 . . 1 $Citation_1 6763 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $Citation_1 . . 1 $Citation_1 6763 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 1H15N_HSQC 1 $sample_1 isotropic 6763 1 2 1H13C_HSQC 1 $sample_1 isotropic 6763 1 3 HNCO 1 $sample_1 isotropic 6763 1 4 HNCA 1 $sample_1 isotropic 6763 1 5 HN(CO)CA 1 $sample_1 isotropic 6763 1 6 HNCACB 1 $sample_1 isotropic 6763 1 7 CBCA(CO)NH 1 $sample_1 isotropic 6763 1 8 HBHA(CO)NH 1 $sample_1 isotropic 6763 1 9 HCCH_TOCSY 1 $sample_1 isotropic 6763 1 10 15N_NOESY_HSQC 1 $sample_1 isotropic 6763 1 11 13C_NOESY_HSQC 1 $sample_1 isotropic 6763 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 ASP HA H 1 4.68 0.000 . . . . . . 142 ASP HA . 6763 1 2 . 1 1 3 3 ASP HB2 H 1 2.73 0.000 . . . . . . 142 ASP HB2 . 6763 1 3 . 1 1 3 3 ASP HB3 H 1 2.60 0.000 . . . . . . 142 ASP HB3 . 6763 1 4 . 1 1 3 3 ASP CA C 13 54.56 0.015 . . . . . . 142 ASP CA . 6763 1 5 . 1 1 3 3 ASP CB C 13 41.25 0.000 . . . . . . 142 ASP CB . 6763 1 6 . 1 1 4 4 ASP H H 1 8.30 0.006 . . . . . . 143 ASP H . 6763 1 7 . 1 1 4 4 ASP HA H 1 4.62 0.012 . . . . . . 143 ASP HA . 6763 1 8 . 1 1 4 4 ASP HB2 H 1 2.69 0.012 . . . . . . 143 ASP HB2 . 6763 1 9 . 1 1 4 4 ASP HB3 H 1 2.52 0.010 . . . . . . 143 ASP HB3 . 6763 1 10 . 1 1 4 4 ASP C C 13 176.57 0.000 . . . . . . 143 ASP C . 6763 1 11 . 1 1 4 4 ASP CA C 13 54.41 0.047 . . . . . . 143 ASP CA . 6763 1 12 . 1 1 4 4 ASP CB C 13 41.42 0.078 . . . . . . 143 ASP CB . 6763 1 13 . 1 1 4 4 ASP N N 15 119.91 0.110 . . . . . . 143 ASP N . 6763 1 14 . 1 1 5 5 SER H H 1 8.47 0.004 . . . . . . 144 SER H . 6763 1 15 . 1 1 5 5 SER HA H 1 4.17 0.010 . . . . . . 144 SER HA . 6763 1 16 . 1 1 5 5 SER HB2 H 1 3.67 0.007 . . . . . . 144 SER HB2 . 6763 1 17 . 1 1 5 5 SER HB3 H 1 3.24 0.006 . . . . . . 144 SER HB3 . 6763 1 18 . 1 1 5 5 SER C C 13 171.77 0.000 . . . . . . 144 SER C . 6763 1 19 . 1 1 5 5 SER CA C 13 59.44 0.065 . . . . . . 144 SER CA . 6763 1 20 . 1 1 5 5 SER CB C 13 64.19 0.051 . . . . . . 144 SER CB . 6763 1 21 . 1 1 5 5 SER N N 15 117.64 0.134 . . . . . . 144 SER N . 6763 1 22 . 1 1 6 6 LYS H H 1 8.35 0.010 . . . . . . 145 LYS H . 6763 1 23 . 1 1 6 6 LYS HA H 1 5.02 0.007 . . . . . . 145 LYS HA . 6763 1 24 . 1 1 6 6 LYS HB2 H 1 1.87 0.004 . . . . . . 145 LYS HB2 . 6763 1 25 . 1 1 6 6 LYS HB3 H 1 1.62 0.004 . . . . . . 145 LYS HB3 . 6763 1 26 . 1 1 6 6 LYS C C 13 174.13 0.000 . . . . . . 145 LYS C . 6763 1 27 . 1 1 6 6 LYS CA C 13 54.70 0.048 . . . . . . 145 LYS CA . 6763 1 28 . 1 1 6 6 LYS CB C 13 34.83 0.018 . . . . . . 145 LYS CB . 6763 1 29 . 1 1 6 6 LYS N N 15 123.69 0.049 . . . . . . 145 LYS N . 6763 1 30 . 1 1 7 7 PHE H H 1 9.38 0.005 . . . . . . 146 PHE H . 6763 1 31 . 1 1 7 7 PHE HA H 1 4.97 0.007 . . . . . . 146 PHE HA . 6763 1 32 . 1 1 7 7 PHE HB2 H 1 2.83 0.011 . . . . . . 146 PHE HB2 . 6763 1 33 . 1 1 7 7 PHE HB3 H 1 2.73 0.011 . . . . . . 146 PHE HB3 . 6763 1 34 . 1 1 7 7 PHE HD1 H 1 6.90 0.010 . . . . . . 146 PHE HD# . 6763 1 35 . 1 1 7 7 PHE HD2 H 1 6.90 0.010 . . . . . . 146 PHE HD# . 6763 1 36 . 1 1 7 7 PHE HE1 H 1 6.99 0.001 . . . . . . 146 PHE HE# . 6763 1 37 . 1 1 7 7 PHE HE2 H 1 6.99 0.001 . . . . . . 146 PHE HE# . 6763 1 38 . 1 1 7 7 PHE HZ H 1 7.12 0.001 . . . . . . 146 PHE HZ . 6763 1 39 . 1 1 7 7 PHE C C 13 175.76 0.000 . . . . . . 146 PHE C . 6763 1 40 . 1 1 7 7 PHE CA C 13 57.37 0.033 . . . . . . 146 PHE CA . 6763 1 41 . 1 1 7 7 PHE CB C 13 42.54 0.100 . . . . . . 146 PHE CB . 6763 1 42 . 1 1 7 7 PHE CD1 C 13 110.70 36.150 . . . . . . 146 PHE CD# . 6763 1 43 . 1 1 7 7 PHE CD2 C 13 110.70 36.150 . . . . . . 146 PHE CD# . 6763 1 44 . 1 1 7 7 PHE N N 15 123.32 0.041 . . . . . . 146 PHE N . 6763 1 45 . 1 1 8 8 GLY H H 1 8.83 0.006 . . . . . . 147 GLY H . 6763 1 46 . 1 1 8 8 GLY HA2 H 1 5.25 0.004 . . . . . . 147 GLY HA2 . 6763 1 47 . 1 1 8 8 GLY HA3 H 1 2.88 0.003 . . . . . . 147 GLY HA3 . 6763 1 48 . 1 1 8 8 GLY C C 13 182.60 0.000 . . . . . . 147 GLY C . 6763 1 49 . 1 1 8 8 GLY CA C 13 44.50 0.044 . . . . . . 147 GLY CA . 6763 1 50 . 1 1 8 8 GLY N N 15 106.92 0.068 . . . . . . 147 GLY N . 6763 1 51 . 1 1 9 9 PHE H H 1 9.53 0.008 . . . . . . 148 PHE H . 6763 1 52 . 1 1 9 9 PHE HA H 1 5.39 0.005 . . . . . . 148 PHE HA . 6763 1 53 . 1 1 9 9 PHE HB2 H 1 2.66 0.006 . . . . . . 148 PHE HB2 . 6763 1 54 . 1 1 9 9 PHE HB3 H 1 2.40 0.004 . . . . . . 148 PHE HB3 . 6763 1 55 . 1 1 9 9 PHE HD1 H 1 6.98 0.008 . . . . . . 148 PHE HD# . 6763 1 56 . 1 1 9 9 PHE HD2 H 1 6.98 0.008 . . . . . . 148 PHE HD# . 6763 1 57 . 1 1 9 9 PHE HE1 H 1 7.47 0.008 . . . . . . 148 PHE HE# . 6763 1 58 . 1 1 9 9 PHE HE2 H 1 7.47 0.008 . . . . . . 148 PHE HE# . 6763 1 59 . 1 1 9 9 PHE C C 13 174.77 0.000 . . . . . . 148 PHE C . 6763 1 60 . 1 1 9 9 PHE CA C 13 56.61 0.078 . . . . . . 148 PHE CA . 6763 1 61 . 1 1 9 9 PHE CB C 13 43.71 0.044 . . . . . . 148 PHE CB . 6763 1 62 . 1 1 9 9 PHE CZ C 13 47.30 0.000 . . . . . . 148 PHE CZ . 6763 1 63 . 1 1 9 9 PHE N N 15 120.94 0.057 . . . . . . 148 PHE N . 6763 1 64 . 1 1 10 10 ILE H H 1 8.25 0.006 . . . . . . 149 ILE H . 6763 1 65 . 1 1 10 10 ILE HA H 1 4.37 0.005 . . . . . . 149 ILE HA . 6763 1 66 . 1 1 10 10 ILE HB H 1 1.67 0.008 . . . . . . 149 ILE HB . 6763 1 67 . 1 1 10 10 ILE HG21 H 1 0.47 0.003 . . . . . . 149 ILE HG2# . 6763 1 68 . 1 1 10 10 ILE HG22 H 1 0.47 0.003 . . . . . . 149 ILE HG2# . 6763 1 69 . 1 1 10 10 ILE HG23 H 1 0.47 0.003 . . . . . . 149 ILE HG2# . 6763 1 70 . 1 1 10 10 ILE HD11 H 1 0.88 0.005 . . . . . . 149 ILE HD1# . 6763 1 71 . 1 1 10 10 ILE HD12 H 1 0.88 0.005 . . . . . . 149 ILE HD1# . 6763 1 72 . 1 1 10 10 ILE HD13 H 1 0.88 0.005 . . . . . . 149 ILE HD1# . 6763 1 73 . 1 1 10 10 ILE C C 13 173.33 0.000 . . . . . . 149 ILE C . 6763 1 74 . 1 1 10 10 ILE CA C 13 61.24 0.077 . . . . . . 149 ILE CA . 6763 1 75 . 1 1 10 10 ILE CB C 13 40.35 0.077 . . . . . . 149 ILE CB . 6763 1 76 . 1 1 10 10 ILE CG2 C 13 16.58 0.000 . . . . . . 149 ILE CG2 . 6763 1 77 . 1 1 10 10 ILE CD1 C 13 15.00 0.005 . . . . . . 149 ILE CD1 . 6763 1 78 . 1 1 10 10 ILE N N 15 121.41 0.062 . . . . . . 149 ILE N . 6763 1 79 . 1 1 11 11 VAL H H 1 8.86 0.007 . . . . . . 150 VAL H . 6763 1 80 . 1 1 11 11 VAL HA H 1 4.97 0.008 . . . . . . 150 VAL HA . 6763 1 81 . 1 1 11 11 VAL HB H 1 1.26 0.018 . . . . . . 150 VAL HB . 6763 1 82 . 1 1 11 11 VAL HG11 H 1 0.80 0.002 . . . . . . 150 VAL HG1# . 6763 1 83 . 1 1 11 11 VAL HG12 H 1 0.80 0.002 . . . . . . 150 VAL HG1# . 6763 1 84 . 1 1 11 11 VAL HG13 H 1 0.80 0.002 . . . . . . 150 VAL HG1# . 6763 1 85 . 1 1 11 11 VAL HG21 H 1 0.72 0.005 . . . . . . 150 VAL HG2# . 6763 1 86 . 1 1 11 11 VAL HG22 H 1 0.72 0.005 . . . . . . 150 VAL HG2# . 6763 1 87 . 1 1 11 11 VAL HG23 H 1 0.72 0.005 . . . . . . 150 VAL HG2# . 6763 1 88 . 1 1 11 11 VAL C C 13 175.83 0.000 . . . . . . 150 VAL C . 6763 1 89 . 1 1 11 11 VAL CA C 13 60.71 0.050 . . . . . . 150 VAL CA . 6763 1 90 . 1 1 11 11 VAL CB C 13 33.53 0.000 . . . . . . 150 VAL CB . 6763 1 91 . 1 1 11 11 VAL N N 15 127.38 0.059 . . . . . . 150 VAL N . 6763 1 92 . 1 1 12 12 ILE H H 1 9.29 0.005 . . . . . . 151 ILE H . 6763 1 93 . 1 1 12 12 ILE HA H 1 4.79 0.005 . . . . . . 151 ILE HA . 6763 1 94 . 1 1 12 12 ILE HB H 1 1.63 0.010 . . . . . . 151 ILE HB . 6763 1 95 . 1 1 12 12 ILE HG12 H 1 1.35 0.036 . . . . . . 151 ILE HG11 . 6763 1 96 . 1 1 12 12 ILE HG13 H 1 0.79 0.014 . . . . . . 151 ILE HG12 . 6763 1 97 . 1 1 12 12 ILE HG21 H 1 0.56 0.012 . . . . . . 151 ILE HG2# . 6763 1 98 . 1 1 12 12 ILE HG22 H 1 0.56 0.012 . . . . . . 151 ILE HG2# . 6763 1 99 . 1 1 12 12 ILE HG23 H 1 0.56 0.012 . . . . . . 151 ILE HG2# . 6763 1 100 . 1 1 12 12 ILE HD11 H 1 0.48 0.005 . . . . . . 151 ILE HD1# . 6763 1 101 . 1 1 12 12 ILE HD12 H 1 0.48 0.005 . . . . . . 151 ILE HD1# . 6763 1 102 . 1 1 12 12 ILE HD13 H 1 0.48 0.005 . . . . . . 151 ILE HD1# . 6763 1 103 . 1 1 12 12 ILE C C 13 172.63 0.000 . . . . . . 151 ILE C . 6763 1 104 . 1 1 12 12 ILE CA C 13 59.63 0.079 . . . . . . 151 ILE CA . 6763 1 105 . 1 1 12 12 ILE CB C 13 41.58 0.020 . . . . . . 151 ILE CB . 6763 1 106 . 1 1 12 12 ILE CG2 C 13 16.00 0.064 . . . . . . 151 ILE CG2 . 6763 1 107 . 1 1 12 12 ILE CD1 C 13 14.39 0.013 . . . . . . 151 ILE CD1 . 6763 1 108 . 1 1 12 12 ILE N N 15 126.10 0.053 . . . . . . 151 ILE N . 6763 1 109 . 1 1 13 13 ASP H H 1 8.25 0.005 . . . . . . 152 ASP H . 6763 1 110 . 1 1 13 13 ASP HA H 1 4.84 0.026 . . . . . . 152 ASP HA . 6763 1 111 . 1 1 13 13 ASP HB2 H 1 2.64 0.003 . . . . . . 152 ASP HB2 . 6763 1 112 . 1 1 13 13 ASP C C 13 176.06 0.000 . . . . . . 152 ASP C . 6763 1 113 . 1 1 13 13 ASP CA C 13 52.74 0.039 . . . . . . 152 ASP CA . 6763 1 114 . 1 1 13 13 ASP CB C 13 42.93 0.095 . . . . . . 152 ASP CB . 6763 1 115 . 1 1 13 13 ASP N N 15 123.19 0.081 . . . . . . 152 ASP N . 6763 1 116 . 1 1 14 14 GLY H H 1 8.73 0.007 . . . . . . 153 GLY H . 6763 1 117 . 1 1 14 14 GLY HA2 H 1 3.89 0.011 . . . . . . 153 GLY HA# . 6763 1 118 . 1 1 14 14 GLY HA3 H 1 3.89 0.011 . . . . . . 153 GLY HA# . 6763 1 119 . 1 1 14 14 GLY C C 13 173.02 0.000 . . . . . . 153 GLY C . 6763 1 120 . 1 1 14 14 GLY CA C 13 46.62 0.055 . . . . . . 153 GLY CA . 6763 1 121 . 1 1 14 14 GLY N N 15 104.32 0.079 . . . . . . 153 GLY N . 6763 1 122 . 1 1 15 15 SER H H 1 8.60 0.006 . . . . . . 154 SER H . 6763 1 123 . 1 1 15 15 SER HA H 1 4.74 0.010 . . . . . . 154 SER HA . 6763 1 124 . 1 1 15 15 SER HB2 H 1 3.94 0.010 . . . . . . 154 SER HB# . 6763 1 125 . 1 1 15 15 SER HB3 H 1 3.94 0.010 . . . . . . 154 SER HB# . 6763 1 126 . 1 1 15 15 SER C C 13 174.80 0.000 . . . . . . 154 SER C . 6763 1 127 . 1 1 15 15 SER CA C 13 58.82 0.061 . . . . . . 154 SER CA . 6763 1 128 . 1 1 15 15 SER CB C 13 64.76 0.077 . . . . . . 154 SER CB . 6763 1 129 . 1 1 15 15 SER N N 15 113.69 0.066 . . . . . . 154 SER N . 6763 1 130 . 1 1 16 16 GLY H H 1 7.67 0.004 . . . . . . 155 GLY H . 6763 1 131 . 1 1 16 16 GLY HA2 H 1 4.53 0.010 . . . . . . 155 GLY HA2 . 6763 1 132 . 1 1 16 16 GLY HA3 H 1 3.60 0.009 . . . . . . 155 GLY HA3 . 6763 1 133 . 1 1 16 16 GLY C C 13 182.40 0.000 . . . . . . 155 GLY C . 6763 1 134 . 1 1 16 16 GLY CA C 13 46.73 0.061 . . . . . . 155 GLY CA . 6763 1 135 . 1 1 16 16 GLY N N 15 111.33 0.088 . . . . . . 155 GLY N . 6763 1 136 . 1 1 17 17 ALA H H 1 7.99 0.013 . . . . . . 156 ALA H . 6763 1 137 . 1 1 17 17 ALA HA H 1 5.12 0.008 . . . . . . 156 ALA HA . 6763 1 138 . 1 1 17 17 ALA HB1 H 1 0.66 0.004 . . . . . . 156 ALA HB# . 6763 1 139 . 1 1 17 17 ALA HB2 H 1 0.66 0.004 . . . . . . 156 ALA HB# . 6763 1 140 . 1 1 17 17 ALA HB3 H 1 0.66 0.004 . . . . . . 156 ALA HB# . 6763 1 141 . 1 1 17 17 ALA C C 13 174.70 0.000 . . . . . . 156 ALA C . 6763 1 142 . 1 1 17 17 ALA CA C 13 49.72 0.051 . . . . . . 156 ALA CA . 6763 1 143 . 1 1 17 17 ALA CB C 13 23.95 0.019 . . . . . . 156 ALA CB . 6763 1 144 . 1 1 17 17 ALA N N 15 119.20 0.058 . . . . . . 156 ALA N . 6763 1 145 . 1 1 18 18 LEU H H 1 8.54 0.012 . . . . . . 157 LEU H . 6763 1 146 . 1 1 18 18 LEU HA H 1 4.79 0.006 . . . . . . 157 LEU HA . 6763 1 147 . 1 1 18 18 LEU HB2 H 1 1.61 0.005 . . . . . . 157 LEU HB2 . 6763 1 148 . 1 1 18 18 LEU HB3 H 1 1.12 0.003 . . . . . . 157 LEU HB3 . 6763 1 149 . 1 1 18 18 LEU HD11 H 1 0.64 0.009 . . . . . . 157 LEU HD1# . 6763 1 150 . 1 1 18 18 LEU HD12 H 1 0.64 0.009 . . . . . . 157 LEU HD1# . 6763 1 151 . 1 1 18 18 LEU HD13 H 1 0.64 0.009 . . . . . . 157 LEU HD1# . 6763 1 152 . 1 1 18 18 LEU HD21 H 1 0.13 0.003 . . . . . . 157 LEU HD2# . 6763 1 153 . 1 1 18 18 LEU HD22 H 1 0.13 0.003 . . . . . . 157 LEU HD2# . 6763 1 154 . 1 1 18 18 LEU HD23 H 1 0.13 0.003 . . . . . . 157 LEU HD2# . 6763 1 155 . 1 1 18 18 LEU C C 13 172.79 0.000 . . . . . . 157 LEU C . 6763 1 156 . 1 1 18 18 LEU CA C 13 54.75 0.064 . . . . . . 157 LEU CA . 6763 1 157 . 1 1 18 18 LEU CB C 13 45.52 0.081 . . . . . . 157 LEU CB . 6763 1 158 . 1 1 18 18 LEU CD2 C 13 23.65 0.040 . . . . . . 157 LEU CD2 . 6763 1 159 . 1 1 18 18 LEU N N 15 122.37 0.046 . . . . . . 157 LEU N . 6763 1 160 . 1 1 19 19 PHE H H 1 8.93 0.017 . . . . . . 158 PHE H . 6763 1 161 . 1 1 19 19 PHE HA H 1 5.45 0.004 . . . . . . 158 PHE HA . 6763 1 162 . 1 1 19 19 PHE HB2 H 1 2.96 0.007 . . . . . . 158 PHE HB2 . 6763 1 163 . 1 1 19 19 PHE HB3 H 1 2.77 0.007 . . . . . . 158 PHE HB3 . 6763 1 164 . 1 1 19 19 PHE HD1 H 1 7.25 0.010 . . . . . . 158 PHE HD# . 6763 1 165 . 1 1 19 19 PHE HD2 H 1 7.25 0.010 . . . . . . 158 PHE HD# . 6763 1 166 . 1 1 19 19 PHE HE1 H 1 7.22 0.004 . . . . . . 158 PHE HE# . 6763 1 167 . 1 1 19 19 PHE HE2 H 1 7.22 0.004 . . . . . . 158 PHE HE# . 6763 1 168 . 1 1 19 19 PHE HZ H 1 7.48 0.002 . . . . . . 158 PHE HZ . 6763 1 169 . 1 1 19 19 PHE C C 13 175.32 0.000 . . . . . . 158 PHE C . 6763 1 170 . 1 1 19 19 PHE CA C 13 55.29 0.036 . . . . . . 158 PHE CA . 6763 1 171 . 1 1 19 19 PHE CB C 13 41.72 0.045 . . . . . . 158 PHE CB . 6763 1 172 . 1 1 19 19 PHE CZ C 13 128.80 0.000 . . . . . . 158 PHE CZ . 6763 1 173 . 1 1 19 19 PHE N N 15 123.53 0.103 . . . . . . 158 PHE N . 6763 1 174 . 1 1 20 20 GLY H H 1 9.44 0.005 . . . . . . 159 GLY H . 6763 1 175 . 1 1 20 20 GLY HA2 H 1 5.19 0.007 . . . . . . 159 GLY HA2 . 6763 1 176 . 1 1 20 20 GLY HA3 H 1 3.53 0.009 . . . . . . 159 GLY HA3 . 6763 1 177 . 1 1 20 20 GLY C C 13 171.66 0.000 . . . . . . 159 GLY C . 6763 1 178 . 1 1 20 20 GLY CA C 13 45.45 0.055 . . . . . . 159 GLY CA . 6763 1 179 . 1 1 20 20 GLY N N 15 111.96 0.046 . . . . . . 159 GLY N . 6763 1 180 . 1 1 21 21 THR H H 1 9.76 0.005 . . . . . . 160 THR H . 6763 1 181 . 1 1 21 21 THR HA H 1 6.13 0.006 . . . . . . 160 THR HA . 6763 1 182 . 1 1 21 21 THR HB H 1 4.31 0.006 . . . . . . 160 THR HB . 6763 1 183 . 1 1 21 21 THR HG21 H 1 1.40 0.003 . . . . . . 160 THR HG2# . 6763 1 184 . 1 1 21 21 THR HG22 H 1 1.40 0.003 . . . . . . 160 THR HG2# . 6763 1 185 . 1 1 21 21 THR HG23 H 1 1.40 0.003 . . . . . . 160 THR HG2# . 6763 1 186 . 1 1 21 21 THR C C 13 172.76 0.000 . . . . . . 160 THR C . 6763 1 187 . 1 1 21 21 THR CA C 13 59.93 0.044 . . . . . . 160 THR CA . 6763 1 188 . 1 1 21 21 THR CB C 13 73.33 0.018 . . . . . . 160 THR CB . 6763 1 189 . 1 1 21 21 THR N N 15 109.34 0.063 . . . . . . 160 THR N . 6763 1 190 . 1 1 22 22 LEU H H 1 9.09 0.005 . . . . . . 161 LEU H . 6763 1 191 . 1 1 22 22 LEU HA H 1 5.20 0.009 . . . . . . 161 LEU HA . 6763 1 192 . 1 1 22 22 LEU HB2 H 1 2.04 0.006 . . . . . . 161 LEU HB2 . 6763 1 193 . 1 1 22 22 LEU HB3 H 1 1.20 0.006 . . . . . . 161 LEU HB3 . 6763 1 194 . 1 1 22 22 LEU HG H 1 1.59 0.002 . . . . . . 161 LEU HG . 6763 1 195 . 1 1 22 22 LEU HD11 H 1 0.89 0.011 . . . . . . 161 LEU HD1# . 6763 1 196 . 1 1 22 22 LEU HD12 H 1 0.89 0.011 . . . . . . 161 LEU HD1# . 6763 1 197 . 1 1 22 22 LEU HD13 H 1 0.89 0.011 . . . . . . 161 LEU HD1# . 6763 1 198 . 1 1 22 22 LEU HD21 H 1 0.67 0.003 . . . . . . 161 LEU HD2# . 6763 1 199 . 1 1 22 22 LEU HD22 H 1 0.67 0.003 . . . . . . 161 LEU HD2# . 6763 1 200 . 1 1 22 22 LEU HD23 H 1 0.67 0.003 . . . . . . 161 LEU HD2# . 6763 1 201 . 1 1 22 22 LEU C C 13 174.71 0.000 . . . . . . 161 LEU C . 6763 1 202 . 1 1 22 22 LEU CA C 13 53.92 0.066 . . . . . . 161 LEU CA . 6763 1 203 . 1 1 22 22 LEU CB C 13 49.18 0.074 . . . . . . 161 LEU CB . 6763 1 204 . 1 1 22 22 LEU CD2 C 13 23.72 0.019 . . . . . . 161 LEU CD2 . 6763 1 205 . 1 1 22 22 LEU N N 15 121.40 0.064 . . . . . . 161 LEU N . 6763 1 206 . 1 1 23 23 GLN H H 1 8.55 0.013 . . . . . . 162 GLN H . 6763 1 207 . 1 1 23 23 GLN HA H 1 4.94 0.007 . . . . . . 162 GLN HA . 6763 1 208 . 1 1 23 23 GLN HB2 H 1 2.20 0.017 . . . . . . 162 GLN HB2 . 6763 1 209 . 1 1 23 23 GLN HB3 H 1 1.71 0.006 . . . . . . 162 GLN HB3 . 6763 1 210 . 1 1 23 23 GLN HG2 H 1 2.21 0.003 . . . . . . 162 GLN HG2 . 6763 1 211 . 1 1 23 23 GLN HG3 H 1 2.14 0.006 . . . . . . 162 GLN HG3 . 6763 1 212 . 1 1 23 23 GLN HE21 H 1 7.54 0.007 . . . . . . 162 GLN HE21 . 6763 1 213 . 1 1 23 23 GLN HE22 H 1 6.90 0.002 . . . . . . 162 GLN HE22 . 6763 1 214 . 1 1 23 23 GLN C C 13 175.91 0.000 . . . . . . 162 GLN C . 6763 1 215 . 1 1 23 23 GLN CA C 13 55.27 0.063 . . . . . . 162 GLN CA . 6763 1 216 . 1 1 23 23 GLN CB C 13 30.95 0.052 . . . . . . 162 GLN CB . 6763 1 217 . 1 1 23 23 GLN N N 15 127.37 0.065 . . . . . . 162 GLN N . 6763 1 218 . 1 1 23 23 GLN NE2 N 15 111.62 0.194 . . . . . . 162 GLN NE . 6763 1 219 . 1 1 24 24 GLY H H 1 9.90 0.003 . . . . . . 163 GLY H . 6763 1 220 . 1 1 24 24 GLY HA2 H 1 4.04 0.007 . . . . . . 163 GLY HA2 . 6763 1 221 . 1 1 24 24 GLY HA3 H 1 3.66 0.010 . . . . . . 163 GLY HA3 . 6763 1 222 . 1 1 24 24 GLY C C 13 173.97 0.000 . . . . . . 163 GLY C . 6763 1 223 . 1 1 24 24 GLY CA C 13 47.57 0.075 . . . . . . 163 GLY CA . 6763 1 224 . 1 1 24 24 GLY N N 15 120.43 0.061 . . . . . . 163 GLY N . 6763 1 225 . 1 1 25 25 ASN H H 1 8.89 0.005 . . . . . . 164 ASN H . 6763 1 226 . 1 1 25 25 ASN HA H 1 4.85 0.035 . . . . . . 164 ASN HA . 6763 1 227 . 1 1 25 25 ASN HB2 H 1 2.89 0.010 . . . . . . 164 ASN HB2 . 6763 1 228 . 1 1 25 25 ASN HB3 H 1 2.75 0.012 . . . . . . 164 ASN HB3 . 6763 1 229 . 1 1 25 25 ASN HD21 H 1 7.55 0.003 . . . . . . 164 ASN HD21 . 6763 1 230 . 1 1 25 25 ASN HD22 H 1 6.90 0.003 . . . . . . 164 ASN HD22 . 6763 1 231 . 1 1 25 25 ASN C C 13 175.56 0.000 . . . . . . 164 ASN C . 6763 1 232 . 1 1 25 25 ASN CA C 13 52.85 0.065 . . . . . . 164 ASN CA . 6763 1 233 . 1 1 25 25 ASN CB C 13 39.47 0.062 . . . . . . 164 ASN CB . 6763 1 234 . 1 1 25 25 ASN N N 15 124.32 0.070 . . . . . . 164 ASN N . 6763 1 235 . 1 1 25 25 ASN ND2 N 15 112.20 0.166 . . . . . . 164 ASN ND2 . 6763 1 236 . 1 1 26 26 THR H H 1 8.64 0.012 . . . . . . 165 THR H . 6763 1 237 . 1 1 26 26 THR HA H 1 4.32 0.007 . . . . . . 165 THR HA . 6763 1 238 . 1 1 26 26 THR HB H 1 4.44 0.005 . . . . . . 165 THR HB . 6763 1 239 . 1 1 26 26 THR HG21 H 1 1.22 0.008 . . . . . . 165 THR HG2# . 6763 1 240 . 1 1 26 26 THR HG22 H 1 1.22 0.008 . . . . . . 165 THR HG2# . 6763 1 241 . 1 1 26 26 THR HG23 H 1 1.22 0.008 . . . . . . 165 THR HG2# . 6763 1 242 . 1 1 26 26 THR C C 13 173.59 0.000 . . . . . . 165 THR C . 6763 1 243 . 1 1 26 26 THR CA C 13 63.47 0.063 . . . . . . 165 THR CA . 6763 1 244 . 1 1 26 26 THR CB C 13 69.50 0.055 . . . . . . 165 THR CB . 6763 1 245 . 1 1 26 26 THR N N 15 118.94 0.066 . . . . . . 165 THR N . 6763 1 246 . 1 1 27 27 ARG H H 1 9.03 0.010 . . . . . . 166 ARG H . 6763 1 247 . 1 1 27 27 ARG HA H 1 5.31 0.014 . . . . . . 166 ARG HA . 6763 1 248 . 1 1 27 27 ARG HB2 H 1 1.68 0.007 . . . . . . 166 ARG HB2 . 6763 1 249 . 1 1 27 27 ARG HB3 H 1 1.57 0.008 . . . . . . 166 ARG HB3 . 6763 1 250 . 1 1 27 27 ARG HG2 H 1 1.34 0.000 . . . . . . 166 ARG HG# . 6763 1 251 . 1 1 27 27 ARG HG3 H 1 1.34 0.000 . . . . . . 166 ARG HG# . 6763 1 252 . 1 1 27 27 ARG HD2 H 1 2.80 0.004 . . . . . . 166 ARG HD2 . 6763 1 253 . 1 1 27 27 ARG HD3 H 1 2.51 0.002 . . . . . . 166 ARG HD3 . 6763 1 254 . 1 1 27 27 ARG HE H 1 6.79 0.012 . . . . . . 166 ARG HE . 6763 1 255 . 1 1 27 27 ARG C C 13 175.14 0.000 . . . . . . 166 ARG C . 6763 1 256 . 1 1 27 27 ARG CA C 13 54.43 0.055 . . . . . . 166 ARG CA . 6763 1 257 . 1 1 27 27 ARG CB C 13 32.16 0.032 . . . . . . 166 ARG CB . 6763 1 258 . 1 1 27 27 ARG CD C 13 43.32 0.042 . . . . . . 166 ARG CD . 6763 1 259 . 1 1 27 27 ARG N N 15 130.92 0.059 . . . . . . 166 ARG N . 6763 1 260 . 1 1 27 27 ARG NE N 15 84.14 0.023 . . . . . . 166 ARG NE . 6763 1 261 . 1 1 28 28 GLU H H 1 8.96 0.005 . . . . . . 167 GLU H . 6763 1 262 . 1 1 28 28 GLU HA H 1 4.73 0.007 . . . . . . 167 GLU HA . 6763 1 263 . 1 1 28 28 GLU HB2 H 1 2.02 0.007 . . . . . . 167 GLU HB2 . 6763 1 264 . 1 1 28 28 GLU HB3 H 1 1.90 0.005 . . . . . . 167 GLU HB3 . 6763 1 265 . 1 1 28 28 GLU C C 13 174.82 0.000 . . . . . . 167 GLU C . 6763 1 266 . 1 1 28 28 GLU CA C 13 55.59 0.063 . . . . . . 167 GLU CA . 6763 1 267 . 1 1 28 28 GLU CB C 13 33.32 0.052 . . . . . . 167 GLU CB . 6763 1 268 . 1 1 28 28 GLU N N 15 122.99 0.065 . . . . . . 167 GLU N . 6763 1 269 . 1 1 29 29 VAL H H 1 9.01 0.005 . . . . . . 168 VAL H . 6763 1 270 . 1 1 29 29 VAL HA H 1 4.02 0.009 . . . . . . 168 VAL HA . 6763 1 271 . 1 1 29 29 VAL HB H 1 2.13 0.005 . . . . . . 168 VAL HB . 6763 1 272 . 1 1 29 29 VAL HG11 H 1 1.00 0.008 . . . . . . 168 VAL HG1# . 6763 1 273 . 1 1 29 29 VAL HG12 H 1 1.00 0.008 . . . . . . 168 VAL HG1# . 6763 1 274 . 1 1 29 29 VAL HG13 H 1 1.00 0.008 . . . . . . 168 VAL HG1# . 6763 1 275 . 1 1 29 29 VAL HG21 H 1 0.83 0.010 . . . . . . 168 VAL HG2# . 6763 1 276 . 1 1 29 29 VAL HG22 H 1 0.83 0.010 . . . . . . 168 VAL HG2# . 6763 1 277 . 1 1 29 29 VAL HG23 H 1 0.83 0.010 . . . . . . 168 VAL HG2# . 6763 1 278 . 1 1 29 29 VAL C C 13 176.25 0.000 . . . . . . 168 VAL C . 6763 1 279 . 1 1 29 29 VAL CA C 13 63.30 0.086 . . . . . . 168 VAL CA . 6763 1 280 . 1 1 29 29 VAL CB C 13 31.94 0.046 . . . . . . 168 VAL CB . 6763 1 281 . 1 1 29 29 VAL CG2 C 13 21.85 0.000 . . . . . . 168 VAL CG2 . 6763 1 282 . 1 1 29 29 VAL N N 15 124.61 0.057 . . . . . . 168 VAL N . 6763 1 283 . 1 1 30 30 LEU H H 1 9.35 0.007 . . . . . . 169 LEU H . 6763 1 284 . 1 1 30 30 LEU HA H 1 4.39 0.010 . . . . . . 169 LEU HA . 6763 1 285 . 1 1 30 30 LEU HB2 H 1 1.49 0.031 . . . . . . 169 LEU HB2 . 6763 1 286 . 1 1 30 30 LEU HD11 H 1 0.82 0.006 . . . . . . 169 LEU HD1# . 6763 1 287 . 1 1 30 30 LEU HD12 H 1 0.82 0.006 . . . . . . 169 LEU HD1# . 6763 1 288 . 1 1 30 30 LEU HD13 H 1 0.82 0.006 . . . . . . 169 LEU HD1# . 6763 1 289 . 1 1 30 30 LEU HD21 H 1 0.82 0.006 . . . . . . 169 LEU HD2# . 6763 1 290 . 1 1 30 30 LEU HD22 H 1 0.82 0.006 . . . . . . 169 LEU HD2# . 6763 1 291 . 1 1 30 30 LEU HD23 H 1 0.82 0.006 . . . . . . 169 LEU HD2# . 6763 1 292 . 1 1 30 30 LEU C C 13 177.65 0.000 . . . . . . 169 LEU C . 6763 1 293 . 1 1 30 30 LEU CA C 13 56.23 0.043 . . . . . . 169 LEU CA . 6763 1 294 . 1 1 30 30 LEU CB C 13 44.14 0.036 . . . . . . 169 LEU CB . 6763 1 295 . 1 1 30 30 LEU N N 15 127.63 0.057 . . . . . . 169 LEU N . 6763 1 296 . 1 1 31 31 HIS H H 1 7.85 0.004 . . . . . . 170 HIS H . 6763 1 297 . 1 1 31 31 HIS HA H 1 4.89 0.010 . . . . . . 170 HIS HA . 6763 1 298 . 1 1 31 31 HIS HB2 H 1 3.21 0.007 . . . . . . 170 HIS HB2 . 6763 1 299 . 1 1 31 31 HIS HB3 H 1 2.41 0.002 . . . . . . 170 HIS HB3 . 6763 1 300 . 1 1 31 31 HIS C C 13 172.02 0.000 . . . . . . 170 HIS C . 6763 1 301 . 1 1 31 31 HIS CA C 13 56.12 0.081 . . . . . . 170 HIS CA . 6763 1 302 . 1 1 31 31 HIS CB C 13 33.47 0.050 . . . . . . 170 HIS CB . 6763 1 303 . 1 1 31 31 HIS N N 15 114.75 0.058 . . . . . . 170 HIS N . 6763 1 304 . 1 1 32 32 LYS H H 1 7.63 0.010 . . . . . . 171 LYS H . 6763 1 305 . 1 1 32 32 LYS HA H 1 5.28 0.006 . . . . . . 171 LYS HA . 6763 1 306 . 1 1 32 32 LYS HB2 H 1 1.75 0.003 . . . . . . 171 LYS HB# . 6763 1 307 . 1 1 32 32 LYS HB3 H 1 1.75 0.003 . . . . . . 171 LYS HB# . 6763 1 308 . 1 1 32 32 LYS HG2 H 1 1.30 0.005 . . . . . . 171 LYS HG# . 6763 1 309 . 1 1 32 32 LYS HG3 H 1 1.30 0.005 . . . . . . 171 LYS HG# . 6763 1 310 . 1 1 32 32 LYS C C 13 173.87 0.000 . . . . . . 171 LYS C . 6763 1 311 . 1 1 32 32 LYS CA C 13 55.20 0.053 . . . . . . 171 LYS CA . 6763 1 312 . 1 1 32 32 LYS CB C 13 35.99 0.030 . . . . . . 171 LYS CB . 6763 1 313 . 1 1 32 32 LYS N N 15 123.72 0.059 . . . . . . 171 LYS N . 6763 1 314 . 1 1 33 33 PHE H H 1 8.48 0.005 . . . . . . 172 PHE H . 6763 1 315 . 1 1 33 33 PHE HA H 1 5.06 0.009 . . . . . . 172 PHE HA . 6763 1 316 . 1 1 33 33 PHE HB2 H 1 3.43 0.004 . . . . . . 172 PHE HB2 . 6763 1 317 . 1 1 33 33 PHE HB3 H 1 3.23 0.002 . . . . . . 172 PHE HB3 . 6763 1 318 . 1 1 33 33 PHE HD1 H 1 7.37 0.006 . . . . . . 172 PHE HD# . 6763 1 319 . 1 1 33 33 PHE HD2 H 1 7.37 0.006 . . . . . . 172 PHE HD# . 6763 1 320 . 1 1 33 33 PHE HE1 H 1 7.43 0.002 . . . . . . 172 PHE HE# . 6763 1 321 . 1 1 33 33 PHE HE2 H 1 7.43 0.002 . . . . . . 172 PHE HE# . 6763 1 322 . 1 1 33 33 PHE HZ H 1 7.14 0.002 . . . . . . 172 PHE HZ . 6763 1 323 . 1 1 33 33 PHE C C 13 173.76 0.000 . . . . . . 172 PHE C . 6763 1 324 . 1 1 33 33 PHE CA C 13 56.72 0.042 . . . . . . 172 PHE CA . 6763 1 325 . 1 1 33 33 PHE CB C 13 41.13 0.026 . . . . . . 172 PHE CB . 6763 1 326 . 1 1 33 33 PHE CD1 C 13 133.66 0.038 . . . . . . 172 PHE CD# . 6763 1 327 . 1 1 33 33 PHE CD2 C 13 133.66 0.038 . . . . . . 172 PHE CD# . 6763 1 328 . 1 1 33 33 PHE CE1 C 13 130.59 0.000 . . . . . . 172 PHE CE# . 6763 1 329 . 1 1 33 33 PHE CE2 C 13 130.59 0.000 . . . . . . 172 PHE CE# . 6763 1 330 . 1 1 33 33 PHE CZ C 13 128.93 0.000 . . . . . . 172 PHE CZ . 6763 1 331 . 1 1 33 33 PHE N N 15 114.02 0.084 . . . . . . 172 PHE N . 6763 1 332 . 1 1 34 34 THR H H 1 8.64 0.007 . . . . . . 173 THR H . 6763 1 333 . 1 1 34 34 THR HA H 1 5.02 0.005 . . . . . . 173 THR HA . 6763 1 334 . 1 1 34 34 THR HB H 1 4.37 0.011 . . . . . . 173 THR HB . 6763 1 335 . 1 1 34 34 THR HG21 H 1 1.24 0.009 . . . . . . 173 THR HG2# . 6763 1 336 . 1 1 34 34 THR HG22 H 1 1.24 0.009 . . . . . . 173 THR HG2# . 6763 1 337 . 1 1 34 34 THR HG23 H 1 1.24 0.009 . . . . . . 173 THR HG2# . 6763 1 338 . 1 1 34 34 THR C C 13 173.56 0.000 . . . . . . 173 THR C . 6763 1 339 . 1 1 34 34 THR CA C 13 60.79 0.040 . . . . . . 173 THR CA . 6763 1 340 . 1 1 34 34 THR CB C 13 71.47 0.035 . . . . . . 173 THR CB . 6763 1 341 . 1 1 34 34 THR N N 15 113.20 0.061 . . . . . . 173 THR N . 6763 1 342 . 1 1 35 35 VAL H H 1 7.84 0.004 . . . . . . 174 VAL H . 6763 1 343 . 1 1 35 35 VAL HA H 1 4.41 0.010 . . . . . . 174 VAL HA . 6763 1 344 . 1 1 35 35 VAL HB H 1 1.53 0.005 . . . . . . 174 VAL HB . 6763 1 345 . 1 1 35 35 VAL HG11 H 1 0.41 0.010 . . . . . . 174 VAL HG1# . 6763 1 346 . 1 1 35 35 VAL HG12 H 1 0.41 0.010 . . . . . . 174 VAL HG1# . 6763 1 347 . 1 1 35 35 VAL HG13 H 1 0.41 0.010 . . . . . . 174 VAL HG1# . 6763 1 348 . 1 1 35 35 VAL HG21 H 1 0.07 0.008 . . . . . . 174 VAL HG2# . 6763 1 349 . 1 1 35 35 VAL HG22 H 1 0.07 0.008 . . . . . . 174 VAL HG2# . 6763 1 350 . 1 1 35 35 VAL HG23 H 1 0.07 0.008 . . . . . . 174 VAL HG2# . 6763 1 351 . 1 1 35 35 VAL C C 13 172.19 0.000 . . . . . . 174 VAL C . 6763 1 352 . 1 1 35 35 VAL CA C 13 60.26 0.078 . . . . . . 174 VAL CA . 6763 1 353 . 1 1 35 35 VAL CB C 13 35.90 0.019 . . . . . . 174 VAL CB . 6763 1 354 . 1 1 35 35 VAL CG1 C 13 20.62 0.012 . . . . . . 174 VAL CG1 . 6763 1 355 . 1 1 35 35 VAL CG2 C 13 19.23 0.019 . . . . . . 174 VAL CG2 . 6763 1 356 . 1 1 35 35 VAL N N 15 119.50 0.083 . . . . . . 174 VAL N . 6763 1 357 . 1 1 36 36 ASP H H 1 8.20 0.005 . . . . . . 175 ASP H . 6763 1 358 . 1 1 36 36 ASP HA H 1 4.88 0.007 . . . . . . 175 ASP HA . 6763 1 359 . 1 1 36 36 ASP HB2 H 1 2.66 0.004 . . . . . . 175 ASP HB2 . 6763 1 360 . 1 1 36 36 ASP HB3 H 1 2.45 0.007 . . . . . . 175 ASP HB3 . 6763 1 361 . 1 1 36 36 ASP C C 13 175.29 0.000 . . . . . . 175 ASP C . 6763 1 362 . 1 1 36 36 ASP CA C 13 52.52 0.120 . . . . . . 175 ASP CA . 6763 1 363 . 1 1 36 36 ASP CB C 13 41.43 0.048 . . . . . . 175 ASP CB . 6763 1 364 . 1 1 36 36 ASP N N 15 125.01 0.066 . . . . . . 175 ASP N . 6763 1 365 . 1 1 37 37 LEU H H 1 8.57 0.006 . . . . . . 176 LEU H . 6763 1 366 . 1 1 37 37 LEU HA H 1 4.66 0.007 . . . . . . 176 LEU HA . 6763 1 367 . 1 1 37 37 LEU HB2 H 1 1.72 0.007 . . . . . . 176 LEU HB2 . 6763 1 368 . 1 1 37 37 LEU HB3 H 1 1.44 0.008 . . . . . . 176 LEU HB3 . 6763 1 369 . 1 1 37 37 LEU HG H 1 1.55 0.007 . . . . . . 176 LEU HG . 6763 1 370 . 1 1 37 37 LEU HD11 H 1 1.02 0.007 . . . . . . 176 LEU HD1# . 6763 1 371 . 1 1 37 37 LEU HD12 H 1 1.02 0.007 . . . . . . 176 LEU HD1# . 6763 1 372 . 1 1 37 37 LEU HD13 H 1 1.02 0.007 . . . . . . 176 LEU HD1# . 6763 1 373 . 1 1 37 37 LEU HD21 H 1 0.81 0.007 . . . . . . 176 LEU HD2# . 6763 1 374 . 1 1 37 37 LEU HD22 H 1 0.81 0.007 . . . . . . 176 LEU HD2# . 6763 1 375 . 1 1 37 37 LEU HD23 H 1 0.81 0.007 . . . . . . 176 LEU HD2# . 6763 1 376 . 1 1 37 37 LEU CA C 13 52.21 0.056 . . . . . . 176 LEU CA . 6763 1 377 . 1 1 37 37 LEU CB C 13 41.53 0.073 . . . . . . 176 LEU CB . 6763 1 378 . 1 1 37 37 LEU N N 15 124.48 0.044 . . . . . . 176 LEU N . 6763 1 379 . 1 1 38 38 PRO HA H 1 4.47 0.005 . . . . . . 177 PRO HA . 6763 1 380 . 1 1 38 38 PRO HB2 H 1 1.82 0.002 . . . . . . 177 PRO HB2 . 6763 1 381 . 1 1 38 38 PRO HB3 H 1 2.03 0.008 . . . . . . 177 PRO HB3 . 6763 1 382 . 1 1 38 38 PRO HG2 H 1 2.40 0.000 . . . . . . 177 PRO HG2 . 6763 1 383 . 1 1 38 38 PRO HD2 H 1 3.85 0.006 . . . . . . 177 PRO HD2 . 6763 1 384 . 1 1 38 38 PRO HD3 H 1 3.52 0.006 . . . . . . 177 PRO HD3 . 6763 1 385 . 1 1 38 38 PRO C C 13 176.47 0.000 . . . . . . 177 PRO C . 6763 1 386 . 1 1 38 38 PRO CA C 13 63.19 0.037 . . . . . . 177 PRO CA . 6763 1 387 . 1 1 38 38 PRO CB C 13 32.36 0.054 . . . . . . 177 PRO CB . 6763 1 388 . 1 1 38 38 PRO CD C 13 50.39 0.035 . . . . . . 177 PRO CD . 6763 1 389 . 1 1 39 39 LYS H H 1 8.60 0.007 . . . . . . 178 LYS H . 6763 1 390 . 1 1 39 39 LYS HA H 1 4.41 0.007 . . . . . . 178 LYS HA . 6763 1 391 . 1 1 39 39 LYS HB2 H 1 1.84 0.005 . . . . . . 178 LYS HB2 . 6763 1 392 . 1 1 39 39 LYS HB3 H 1 1.69 0.007 . . . . . . 178 LYS HB3 . 6763 1 393 . 1 1 39 39 LYS CA C 13 55.90 0.040 . . . . . . 178 LYS CA . 6763 1 394 . 1 1 39 39 LYS CB C 13 33.87 0.045 . . . . . . 178 LYS CB . 6763 1 395 . 1 1 39 39 LYS N N 15 121.85 0.085 . . . . . . 178 LYS N . 6763 1 396 . 1 1 46 46 GLN HA H 1 4.27 0.004 . . . . . . 185 GLN HA . 6763 1 397 . 1 1 46 46 GLN HB2 H 1 2.13 0.008 . . . . . . 185 GLN HB2 . 6763 1 398 . 1 1 46 46 GLN HB3 H 1 2.04 0.004 . . . . . . 185 GLN HB3 . 6763 1 399 . 1 1 46 46 GLN HG2 H 1 2.39 0.002 . . . . . . 185 GLN HG2 . 6763 1 400 . 1 1 46 46 GLN HG3 H 1 2.40 0.009 . . . . . . 185 GLN HG3 . 6763 1 401 . 1 1 46 46 GLN HE21 H 1 7.55 0.001 . . . . . . 185 GLN HE21 . 6763 1 402 . 1 1 46 46 GLN HE22 H 1 6.80 0.003 . . . . . . 185 GLN HE22 . 6763 1 403 . 1 1 46 46 GLN CA C 13 56.84 0.063 . . . . . . 185 GLN CA . 6763 1 404 . 1 1 46 46 GLN CB C 13 29.35 0.083 . . . . . . 185 GLN CB . 6763 1 405 . 1 1 46 46 GLN CG C 13 33.97 0.059 . . . . . . 185 GLN CG . 6763 1 406 . 1 1 46 46 GLN NE2 N 15 111.58 0.173 . . . . . . 185 GLN NE2 . 6763 1 407 . 1 1 48 48 ALA HA H 1 4.16 0.013 . . . . . . 187 ALA HA . 6763 1 408 . 1 1 48 48 ALA HB1 H 1 1.48 0.004 . . . . . . 187 ALA HB# . 6763 1 409 . 1 1 48 48 ALA HB2 H 1 1.48 0.004 . . . . . . 187 ALA HB# . 6763 1 410 . 1 1 48 48 ALA HB3 H 1 1.48 0.004 . . . . . . 187 ALA HB# . 6763 1 411 . 1 1 48 48 ALA C C 13 179.82 0.000 . . . . . . 187 ALA C . 6763 1 412 . 1 1 48 48 ALA CA C 13 54.67 0.080 . . . . . . 187 ALA CA . 6763 1 413 . 1 1 48 48 ALA CB C 13 18.75 0.076 . . . . . . 187 ALA CB . 6763 1 414 . 1 1 49 49 LEU H H 1 8.09 0.005 . . . . . . 188 LEU H . 6763 1 415 . 1 1 49 49 LEU HA H 1 4.19 0.014 . . . . . . 188 LEU HA . 6763 1 416 . 1 1 49 49 LEU HB2 H 1 1.76 0.008 . . . . . . 188 LEU HB2 . 6763 1 417 . 1 1 49 49 LEU HD11 H 1 0.94 0.003 . . . . . . 188 LEU HD1# . 6763 1 418 . 1 1 49 49 LEU HD12 H 1 0.94 0.003 . . . . . . 188 LEU HD1# . 6763 1 419 . 1 1 49 49 LEU HD13 H 1 0.94 0.003 . . . . . . 188 LEU HD1# . 6763 1 420 . 1 1 49 49 LEU HD21 H 1 0.89 0.000 . . . . . . 188 LEU HD2# . 6763 1 421 . 1 1 49 49 LEU HD22 H 1 0.89 0.000 . . . . . . 188 LEU HD2# . 6763 1 422 . 1 1 49 49 LEU HD23 H 1 0.89 0.000 . . . . . . 188 LEU HD2# . 6763 1 423 . 1 1 49 49 LEU C C 13 179.14 0.000 . . . . . . 188 LEU C . 6763 1 424 . 1 1 49 49 LEU CA C 13 57.63 0.079 . . . . . . 188 LEU CA . 6763 1 425 . 1 1 49 49 LEU CB C 13 41.94 0.083 . . . . . . 188 LEU CB . 6763 1 426 . 1 1 49 49 LEU N N 15 119.81 0.055 . . . . . . 188 LEU N . 6763 1 427 . 1 1 50 50 ARG H H 1 8.00 0.005 . . . . . . 189 ARG H . 6763 1 428 . 1 1 50 50 ARG HA H 1 4.07 0.008 . . . . . . 189 ARG HA . 6763 1 429 . 1 1 50 50 ARG HB2 H 1 1.83 0.006 . . . . . . 189 ARG HB# . 6763 1 430 . 1 1 50 50 ARG HB3 H 1 1.83 0.006 . . . . . . 189 ARG HB# . 6763 1 431 . 1 1 50 50 ARG HG2 H 1 1.58 0.017 . . . . . . 189 ARG HG2 . 6763 1 432 . 1 1 50 50 ARG HG3 H 1 1.53 0.014 . . . . . . 189 ARG HG3 . 6763 1 433 . 1 1 50 50 ARG HD2 H 1 3.17 0.009 . . . . . . 189 ARG HD# . 6763 1 434 . 1 1 50 50 ARG HD3 H 1 3.17 0.009 . . . . . . 189 ARG HD# . 6763 1 435 . 1 1 50 50 ARG C C 13 178.35 0.000 . . . . . . 189 ARG C . 6763 1 436 . 1 1 50 50 ARG CA C 13 58.72 0.043 . . . . . . 189 ARG CA . 6763 1 437 . 1 1 50 50 ARG CB C 13 29.91 0.022 . . . . . . 189 ARG CB . 6763 1 438 . 1 1 50 50 ARG CD C 13 43.28 0.041 . . . . . . 189 ARG CD . 6763 1 439 . 1 1 50 50 ARG N N 15 119.30 0.087 . . . . . . 189 ARG N . 6763 1 440 . 1 1 51 51 PHE H H 1 8.16 0.004 . . . . . . 190 PHE H . 6763 1 441 . 1 1 51 51 PHE HA H 1 4.35 0.012 . . . . . . 190 PHE HA . 6763 1 442 . 1 1 51 51 PHE HB2 H 1 3.12 0.011 . . . . . . 190 PHE HB# . 6763 1 443 . 1 1 51 51 PHE HB3 H 1 3.12 0.011 . . . . . . 190 PHE HB# . 6763 1 444 . 1 1 51 51 PHE HD1 H 1 7.25 0.007 . . . . . . 190 PHE HD# . 6763 1 445 . 1 1 51 51 PHE HD2 H 1 7.25 0.007 . . . . . . 190 PHE HD# . 6763 1 446 . 1 1 51 51 PHE C C 13 176.87 0.000 . . . . . . 190 PHE C . 6763 1 447 . 1 1 51 51 PHE CA C 13 60.62 0.053 . . . . . . 190 PHE CA . 6763 1 448 . 1 1 51 51 PHE CB C 13 38.97 0.067 . . . . . . 190 PHE CB . 6763 1 449 . 1 1 51 51 PHE N N 15 119.03 0.065 . . . . . . 190 PHE N . 6763 1 450 . 1 1 52 52 ALA H H 1 8.17 0.004 . . . . . . 191 ALA H . 6763 1 451 . 1 1 52 52 ALA HA H 1 4.01 0.013 . . . . . . 191 ALA HA . 6763 1 452 . 1 1 52 52 ALA HB1 H 1 1.55 0.005 . . . . . . 191 ALA HB# . 6763 1 453 . 1 1 52 52 ALA HB2 H 1 1.55 0.005 . . . . . . 191 ALA HB# . 6763 1 454 . 1 1 52 52 ALA HB3 H 1 1.55 0.005 . . . . . . 191 ALA HB# . 6763 1 455 . 1 1 52 52 ALA C C 13 180.27 0.000 . . . . . . 191 ALA C . 6763 1 456 . 1 1 52 52 ALA CA C 13 55.17 0.052 . . . . . . 191 ALA CA . 6763 1 457 . 1 1 52 52 ALA CB C 13 18.11 0.116 . . . . . . 191 ALA CB . 6763 1 458 . 1 1 52 52 ALA N N 15 121.87 0.077 . . . . . . 191 ALA N . 6763 1 459 . 1 1 53 53 ARG H H 1 7.94 0.005 . . . . . . 192 ARG H . 6763 1 460 . 1 1 53 53 ARG HA H 1 4.11 0.008 . . . . . . 192 ARG HA . 6763 1 461 . 1 1 53 53 ARG HB2 H 1 1.93 0.007 . . . . . . 192 ARG HB# . 6763 1 462 . 1 1 53 53 ARG HB3 H 1 1.93 0.007 . . . . . . 192 ARG HB# . 6763 1 463 . 1 1 53 53 ARG C C 13 178.28 0.000 . . . . . . 192 ARG C . 6763 1 464 . 1 1 53 53 ARG CA C 13 58.98 0.063 . . . . . . 192 ARG CA . 6763 1 465 . 1 1 53 53 ARG CB C 13 29.92 0.005 . . . . . . 192 ARG CB . 6763 1 466 . 1 1 53 53 ARG N N 15 118.27 0.072 . . . . . . 192 ARG N . 6763 1 467 . 1 1 54 54 LEU H H 1 7.96 0.004 . . . . . . 193 LEU H . 6763 1 468 . 1 1 54 54 LEU HA H 1 4.19 0.006 . . . . . . 193 LEU HA . 6763 1 469 . 1 1 54 54 LEU HB2 H 1 1.73 0.020 . . . . . . 193 LEU HB# . 6763 1 470 . 1 1 54 54 LEU HB3 H 1 1.73 0.020 . . . . . . 193 LEU HB# . 6763 1 471 . 1 1 54 54 LEU HD11 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 472 . 1 1 54 54 LEU HD12 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 473 . 1 1 54 54 LEU HD13 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 474 . 1 1 54 54 LEU HD21 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 475 . 1 1 54 54 LEU HD22 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 476 . 1 1 54 54 LEU HD23 H 1 0.94 0.006 . . . . . . 193 LEU HD# . 6763 1 477 . 1 1 54 54 LEU C C 13 178.94 0.000 . . . . . . 193 LEU C . 6763 1 478 . 1 1 54 54 LEU CA C 13 57.66 0.103 . . . . . . 193 LEU CA . 6763 1 479 . 1 1 54 54 LEU CB C 13 42.03 0.016 . . . . . . 193 LEU CB . 6763 1 480 . 1 1 54 54 LEU N N 15 121.17 0.057 . . . . . . 193 LEU N . 6763 1 481 . 1 1 55 55 ARG H H 1 8.32 0.006 . . . . . . 194 ARG H . 6763 1 482 . 1 1 55 55 ARG HA H 1 3.75 0.011 . . . . . . 194 ARG HA . 6763 1 483 . 1 1 55 55 ARG HB2 H 1 1.55 0.009 . . . . . . 194 ARG HB# . 6763 1 484 . 1 1 55 55 ARG HB3 H 1 1.55 0.009 . . . . . . 194 ARG HB# . 6763 1 485 . 1 1 55 55 ARG HD2 H 1 3.11 0.000 . . . . . . 194 ARG HD# . 6763 1 486 . 1 1 55 55 ARG HD3 H 1 3.11 0.000 . . . . . . 194 ARG HD# . 6763 1 487 . 1 1 55 55 ARG C C 13 178.15 0.000 . . . . . . 194 ARG C . 6763 1 488 . 1 1 55 55 ARG CA C 13 59.99 0.050 . . . . . . 194 ARG CA . 6763 1 489 . 1 1 55 55 ARG CB C 13 29.69 0.113 . . . . . . 194 ARG CB . 6763 1 490 . 1 1 55 55 ARG N N 15 118.68 0.115 . . . . . . 194 ARG N . 6763 1 491 . 1 1 56 56 MET H H 1 7.88 0.009 . . . . . . 195 MET H . 6763 1 492 . 1 1 56 56 MET HA H 1 4.15 0.014 . . . . . . 195 MET HA . 6763 1 493 . 1 1 56 56 MET HB2 H 1 2.65 0.004 . . . . . . 195 MET HB2 . 6763 1 494 . 1 1 56 56 MET HB3 H 1 2.53 0.006 . . . . . . 195 MET HB3 . 6763 1 495 . 1 1 56 56 MET HG2 H 1 2.19 0.002 . . . . . . 195 MET HG# . 6763 1 496 . 1 1 56 56 MET HG3 H 1 2.19 0.002 . . . . . . 195 MET HG# . 6763 1 497 . 1 1 56 56 MET HE1 H 1 2.09 0.005 . . . . . . 195 MET HE# . 6763 1 498 . 1 1 56 56 MET HE2 H 1 2.09 0.005 . . . . . . 195 MET HE# . 6763 1 499 . 1 1 56 56 MET HE3 H 1 2.09 0.005 . . . . . . 195 MET HE# . 6763 1 500 . 1 1 56 56 MET C C 13 178.46 0.000 . . . . . . 195 MET C . 6763 1 501 . 1 1 56 56 MET CA C 13 53.23 13.826 . . . . . . 195 MET CA . 6763 1 502 . 1 1 56 56 MET CB C 13 32.06 0.040 . . . . . . 195 MET CB . 6763 1 503 . 1 1 56 56 MET CE C 13 16.96 0.000 . . . . . . 195 MET CE . 6763 1 504 . 1 1 56 56 MET N N 15 118.05 0.106 . . . . . . 195 MET N . 6763 1 505 . 1 1 57 57 GLU H H 1 8.36 0.005 . . . . . . 196 GLU H . 6763 1 506 . 1 1 57 57 GLU HA H 1 4.13 0.009 . . . . . . 196 GLU HA . 6763 1 507 . 1 1 57 57 GLU HB2 H 1 2.17 0.023 . . . . . . 196 GLU HB2 . 6763 1 508 . 1 1 57 57 GLU HB3 H 1 2.03 0.015 . . . . . . 196 GLU HB3 . 6763 1 509 . 1 1 57 57 GLU C C 13 179.07 0.000 . . . . . . 196 GLU C . 6763 1 510 . 1 1 57 57 GLU CA C 13 59.56 0.056 . . . . . . 196 GLU CA . 6763 1 511 . 1 1 57 57 GLU CB C 13 29.81 0.048 . . . . . . 196 GLU CB . 6763 1 512 . 1 1 57 57 GLU N N 15 120.99 0.041 . . . . . . 196 GLU N . 6763 1 513 . 1 1 58 58 LYS H H 1 8.41 0.007 . . . . . . 197 LYS H . 6763 1 514 . 1 1 58 58 LYS HA H 1 4.18 0.006 . . . . . . 197 LYS HA . 6763 1 515 . 1 1 58 58 LYS HB2 H 1 1.97 0.000 . . . . . . 197 LYS HB2 . 6763 1 516 . 1 1 58 58 LYS HB3 H 1 1.82 0.000 . . . . . . 197 LYS HB3 . 6763 1 517 . 1 1 58 58 LYS C C 13 180.25 0.000 . . . . . . 197 LYS C . 6763 1 518 . 1 1 58 58 LYS CA C 13 58.90 0.055 . . . . . . 197 LYS CA . 6763 1 519 . 1 1 58 58 LYS CB C 13 32.15 0.014 . . . . . . 197 LYS CB . 6763 1 520 . 1 1 58 58 LYS N N 15 117.56 0.131 . . . . . . 197 LYS N . 6763 1 521 . 1 1 59 59 ARG H H 1 8.42 0.005 . . . . . . 198 ARG H . 6763 1 522 . 1 1 59 59 ARG HA H 1 4.21 0.008 . . . . . . 198 ARG HA . 6763 1 523 . 1 1 59 59 ARG HB2 H 1 2.07 0.009 . . . . . . 198 ARG HB2 . 6763 1 524 . 1 1 59 59 ARG C C 13 177.57 0.000 . . . . . . 198 ARG C . 6763 1 525 . 1 1 59 59 ARG CA C 13 60.76 0.026 . . . . . . 198 ARG CA . 6763 1 526 . 1 1 59 59 ARG CB C 13 30.71 0.000 . . . . . . 198 ARG CB . 6763 1 527 . 1 1 59 59 ARG N N 15 121.02 0.057 . . . . . . 198 ARG N . 6763 1 528 . 1 1 60 60 HIS H H 1 8.47 0.025 . . . . . . 199 HIS H . 6763 1 529 . 1 1 60 60 HIS HA H 1 4.37 0.009 . . . . . . 199 HIS HA . 6763 1 530 . 1 1 60 60 HIS HB2 H 1 3.29 0.017 . . . . . . 199 HIS HB# . 6763 1 531 . 1 1 60 60 HIS HB3 H 1 3.29 0.017 . . . . . . 199 HIS HB# . 6763 1 532 . 1 1 60 60 HIS C C 13 177.75 0.000 . . . . . . 199 HIS C . 6763 1 533 . 1 1 60 60 HIS CA C 13 59.93 0.048 . . . . . . 199 HIS CA . 6763 1 534 . 1 1 60 60 HIS CB C 13 30.21 0.130 . . . . . . 199 HIS CB . 6763 1 535 . 1 1 60 60 HIS N N 15 119.38 0.385 . . . . . . 199 HIS N . 6763 1 536 . 1 1 61 61 ASN H H 1 8.46 0.007 . . . . . . 200 ASN H . 6763 1 537 . 1 1 61 61 ASN HA H 1 4.38 0.011 . . . . . . 200 ASN HA . 6763 1 538 . 1 1 61 61 ASN HB2 H 1 2.98 0.014 . . . . . . 200 ASN HB2 . 6763 1 539 . 1 1 61 61 ASN HB3 H 1 2.90 0.010 . . . . . . 200 ASN HB3 . 6763 1 540 . 1 1 61 61 ASN HD21 H 1 7.72 0.001 . . . . . . 200 ASN HD21 . 6763 1 541 . 1 1 61 61 ASN HD22 H 1 7.13 0.005 . . . . . . 200 ASN HD22 . 6763 1 542 . 1 1 61 61 ASN C C 13 177.90 0.000 . . . . . . 200 ASN C . 6763 1 543 . 1 1 61 61 ASN CA C 13 56.00 0.097 . . . . . . 200 ASN CA . 6763 1 544 . 1 1 61 61 ASN CB C 13 38.23 0.086 . . . . . . 200 ASN CB . 6763 1 545 . 1 1 61 61 ASN N N 15 116.73 0.095 . . . . . . 200 ASN N . 6763 1 546 . 1 1 61 61 ASN ND2 N 15 111.41 0.047 . . . . . . 200 ASN ND2 . 6763 1 547 . 1 1 62 62 TYR H H 1 7.96 0.006 . . . . . . 201 TYR H . 6763 1 548 . 1 1 62 62 TYR HA H 1 4.89 0.004 . . . . . . 201 TYR HA . 6763 1 549 . 1 1 62 62 TYR HB2 H 1 3.51 0.004 . . . . . . 201 TYR HB2 . 6763 1 550 . 1 1 62 62 TYR HB3 H 1 3.39 0.013 . . . . . . 201 TYR HB3 . 6763 1 551 . 1 1 62 62 TYR HD1 H 1 7.11 0.007 . . . . . . 201 TYR HD# . 6763 1 552 . 1 1 62 62 TYR HD2 H 1 7.11 0.007 . . . . . . 201 TYR HD# . 6763 1 553 . 1 1 62 62 TYR HE1 H 1 6.10 0.005 . . . . . . 201 TYR HE# . 6763 1 554 . 1 1 62 62 TYR HE2 H 1 6.10 0.005 . . . . . . 201 TYR HE# . 6763 1 555 . 1 1 62 62 TYR C C 13 176.44 0.000 . . . . . . 201 TYR C . 6763 1 556 . 1 1 62 62 TYR CA C 13 58.96 0.051 . . . . . . 201 TYR CA . 6763 1 557 . 1 1 62 62 TYR CB C 13 38.46 0.021 . . . . . . 201 TYR CB . 6763 1 558 . 1 1 62 62 TYR CD1 C 13 132.55 0.001 . . . . . . 201 TYR CD# . 6763 1 559 . 1 1 62 62 TYR CD2 C 13 132.55 0.001 . . . . . . 201 TYR CD# . 6763 1 560 . 1 1 62 62 TYR CE1 C 13 117.78 0.028 . . . . . . 201 TYR CE# . 6763 1 561 . 1 1 62 62 TYR CE2 C 13 117.78 0.028 . . . . . . 201 TYR CE# . 6763 1 562 . 1 1 62 62 TYR N N 15 122.32 0.068 . . . . . . 201 TYR N . 6763 1 563 . 1 1 63 63 VAL H H 1 8.30 0.003 . . . . . . 202 VAL H . 6763 1 564 . 1 1 63 63 VAL HA H 1 3.03 0.010 . . . . . . 202 VAL HA . 6763 1 565 . 1 1 63 63 VAL HB H 1 2.14 0.008 . . . . . . 202 VAL HB . 6763 1 566 . 1 1 63 63 VAL HG11 H 1 1.08 0.012 . . . . . . 202 VAL HG1# . 6763 1 567 . 1 1 63 63 VAL HG12 H 1 1.08 0.012 . . . . . . 202 VAL HG1# . 6763 1 568 . 1 1 63 63 VAL HG13 H 1 1.08 0.012 . . . . . . 202 VAL HG1# . 6763 1 569 . 1 1 63 63 VAL HG21 H 1 0.83 0.007 . . . . . . 202 VAL HG2# . 6763 1 570 . 1 1 63 63 VAL HG22 H 1 0.83 0.007 . . . . . . 202 VAL HG2# . 6763 1 571 . 1 1 63 63 VAL HG23 H 1 0.83 0.007 . . . . . . 202 VAL HG2# . 6763 1 572 . 1 1 63 63 VAL C C 13 177.98 0.000 . . . . . . 202 VAL C . 6763 1 573 . 1 1 63 63 VAL CA C 13 67.53 0.038 . . . . . . 202 VAL CA . 6763 1 574 . 1 1 63 63 VAL CB C 13 31.16 0.000 . . . . . . 202 VAL CB . 6763 1 575 . 1 1 63 63 VAL CG1 C 13 23.02 0.019 . . . . . . 202 VAL CG1 . 6763 1 576 . 1 1 63 63 VAL CG2 C 13 21.87 0.018 . . . . . . 202 VAL CG2 . 6763 1 577 . 1 1 63 63 VAL N N 15 119.25 0.072 . . . . . . 202 VAL N . 6763 1 578 . 1 1 64 64 ARG H H 1 8.19 0.006 . . . . . . 203 ARG H . 6763 1 579 . 1 1 64 64 ARG HA H 1 3.92 0.010 . . . . . . 203 ARG HA . 6763 1 580 . 1 1 64 64 ARG HB2 H 1 1.89 0.016 . . . . . . 203 ARG HB2 . 6763 1 581 . 1 1 64 64 ARG HB3 H 1 1.81 0.008 . . . . . . 203 ARG HB3 . 6763 1 582 . 1 1 64 64 ARG C C 13 178.33 0.000 . . . . . . 203 ARG C . 6763 1 583 . 1 1 64 64 ARG CA C 13 59.07 0.093 . . . . . . 203 ARG CA . 6763 1 584 . 1 1 64 64 ARG CB C 13 29.24 0.055 . . . . . . 203 ARG CB . 6763 1 585 . 1 1 64 64 ARG N N 15 117.0 0.064 . . . . . . 203 ARG N . 6763 1 586 . 1 1 65 65 LYS H H 1 8.04 0.005 . . . . . . 204 LYS H . 6763 1 587 . 1 1 65 65 LYS HA H 1 4.21 0.006 . . . . . . 204 LYS HA . 6763 1 588 . 1 1 65 65 LYS HB2 H 1 2.26 0.040 . . . . . . 204 LYS HB2 . 6763 1 589 . 1 1 65 65 LYS HB3 H 1 2.02 0.004 . . . . . . 204 LYS HB3 . 6763 1 590 . 1 1 65 65 LYS C C 13 181.10 0.000 . . . . . . 204 LYS C . 6763 1 591 . 1 1 65 65 LYS CA C 13 59.32 0.006 . . . . . . 204 LYS CA . 6763 1 592 . 1 1 65 65 LYS CB C 13 32.15 0.047 . . . . . . 204 LYS CB . 6763 1 593 . 1 1 65 65 LYS N N 15 121.24 0.057 . . . . . . 204 LYS N . 6763 1 594 . 1 1 66 66 VAL H H 1 8.76 0.005 . . . . . . 205 VAL H . 6763 1 595 . 1 1 66 66 VAL HA H 1 3.83 0.004 . . . . . . 205 VAL HA . 6763 1 596 . 1 1 66 66 VAL HB H 1 2.33 0.007 . . . . . . 205 VAL HB . 6763 1 597 . 1 1 66 66 VAL HG11 H 1 0.92 0.004 . . . . . . 205 VAL HG1# . 6763 1 598 . 1 1 66 66 VAL HG12 H 1 0.92 0.004 . . . . . . 205 VAL HG1# . 6763 1 599 . 1 1 66 66 VAL HG13 H 1 0.92 0.004 . . . . . . 205 VAL HG1# . 6763 1 600 . 1 1 66 66 VAL HG21 H 1 0.73 0.007 . . . . . . 205 VAL HG2# . 6763 1 601 . 1 1 66 66 VAL HG22 H 1 0.73 0.007 . . . . . . 205 VAL HG2# . 6763 1 602 . 1 1 66 66 VAL HG23 H 1 0.73 0.007 . . . . . . 205 VAL HG2# . 6763 1 603 . 1 1 66 66 VAL C C 13 177.28 0.000 . . . . . . 205 VAL C . 6763 1 604 . 1 1 66 66 VAL CA C 13 68.14 0.022 . . . . . . 205 VAL CA . 6763 1 605 . 1 1 66 66 VAL CB C 13 31.13 0.051 . . . . . . 205 VAL CB . 6763 1 606 . 1 1 66 66 VAL CG1 C 13 21.72 0.054 . . . . . . 205 VAL CG1 . 6763 1 607 . 1 1 66 66 VAL CG2 C 13 24.01 0.021 . . . . . . 205 VAL CG2 . 6763 1 608 . 1 1 66 66 VAL N N 15 124.19 0.054 . . . . . . 205 VAL N . 6763 1 609 . 1 1 67 67 ALA H H 1 8.26 0.007 . . . . . . 206 ALA H . 6763 1 610 . 1 1 67 67 ALA HA H 1 4.12 0.009 . . . . . . 206 ALA HA . 6763 1 611 . 1 1 67 67 ALA HB1 H 1 1.44 0.005 . . . . . . 206 ALA HB# . 6763 1 612 . 1 1 67 67 ALA HB2 H 1 1.44 0.005 . . . . . . 206 ALA HB# . 6763 1 613 . 1 1 67 67 ALA HB3 H 1 1.44 0.005 . . . . . . 206 ALA HB# . 6763 1 614 . 1 1 67 67 ALA C C 13 180.52 0.000 . . . . . . 206 ALA C . 6763 1 615 . 1 1 67 67 ALA CA C 13 56.29 0.044 . . . . . . 206 ALA CA . 6763 1 616 . 1 1 67 67 ALA CB C 13 18.03 0.087 . . . . . . 206 ALA CB . 6763 1 617 . 1 1 67 67 ALA N N 15 122.70 0.074 . . . . . . 206 ALA N . 6763 1 618 . 1 1 68 68 GLU H H 1 8.78 0.007 . . . . . . 207 GLU H . 6763 1 619 . 1 1 68 68 GLU HA H 1 4.04 0.005 . . . . . . 207 GLU HA . 6763 1 620 . 1 1 68 68 GLU HB2 H 1 2.15 0.001 . . . . . . 207 GLU HB2 . 6763 1 621 . 1 1 68 68 GLU HB3 H 1 2.04 0.001 . . . . . . 207 GLU HB3 . 6763 1 622 . 1 1 68 68 GLU C C 13 179.94 0.000 . . . . . . 207 GLU C . 6763 1 623 . 1 1 68 68 GLU CA C 13 59.42 0.049 . . . . . . 207 GLU CA . 6763 1 624 . 1 1 68 68 GLU CB C 13 29.94 0.017 . . . . . . 207 GLU CB . 6763 1 625 . 1 1 68 68 GLU N N 15 118.73 0.060 . . . . . . 207 GLU N . 6763 1 626 . 1 1 69 69 THR H H 1 8.40 0.004 . . . . . . 208 THR H . 6763 1 627 . 1 1 69 69 THR HA H 1 3.67 0.006 . . . . . . 208 THR HA . 6763 1 628 . 1 1 69 69 THR HB H 1 4.15 0.006 . . . . . . 208 THR HB . 6763 1 629 . 1 1 69 69 THR HG21 H 1 0.31 0.017 . . . . . . 208 THR HG2# . 6763 1 630 . 1 1 69 69 THR HG22 H 1 0.31 0.017 . . . . . . 208 THR HG2# . 6763 1 631 . 1 1 69 69 THR HG23 H 1 0.31 0.017 . . . . . . 208 THR HG2# . 6763 1 632 . 1 1 69 69 THR C C 13 175.24 0.000 . . . . . . 208 THR C . 6763 1 633 . 1 1 69 69 THR CA C 13 66.55 0.063 . . . . . . 208 THR CA . 6763 1 634 . 1 1 69 69 THR CB C 13 68.13 0.076 . . . . . . 208 THR CB . 6763 1 635 . 1 1 69 69 THR CG2 C 13 20.68 0.013 . . . . . . 208 THR CG2 . 6763 1 636 . 1 1 69 69 THR N N 15 118.08 0.121 . . . . . . 208 THR N . 6763 1 637 . 1 1 70 70 ALA H H 1 8.42 0.005 . . . . . . 209 ALA H . 6763 1 638 . 1 1 70 70 ALA HA H 1 3.92 0.007 . . . . . . 209 ALA HA . 6763 1 639 . 1 1 70 70 ALA HB1 H 1 1.88 0.005 . . . . . . 209 ALA HB# . 6763 1 640 . 1 1 70 70 ALA HB2 H 1 1.88 0.005 . . . . . . 209 ALA HB# . 6763 1 641 . 1 1 70 70 ALA HB3 H 1 1.88 0.005 . . . . . . 209 ALA HB# . 6763 1 642 . 1 1 70 70 ALA C C 13 178.72 0.000 . . . . . . 209 ALA C . 6763 1 643 . 1 1 70 70 ALA CA C 13 55.61 0.042 . . . . . . 209 ALA CA . 6763 1 644 . 1 1 70 70 ALA CB C 13 19.13 0.042 . . . . . . 209 ALA CB . 6763 1 645 . 1 1 70 70 ALA N N 15 122.39 0.128 . . . . . . 209 ALA N . 6763 1 646 . 1 1 71 71 VAL H H 1 7.41 0.006 . . . . . . 210 VAL H . 6763 1 647 . 1 1 71 71 VAL HA H 1 3.55 0.005 . . . . . . 210 VAL HA . 6763 1 648 . 1 1 71 71 VAL HB H 1 2.28 0.006 . . . . . . 210 VAL HB . 6763 1 649 . 1 1 71 71 VAL HG11 H 1 1.20 0.005 . . . . . . 210 VAL HG1# . 6763 1 650 . 1 1 71 71 VAL HG12 H 1 1.20 0.005 . . . . . . 210 VAL HG1# . 6763 1 651 . 1 1 71 71 VAL HG13 H 1 1.20 0.005 . . . . . . 210 VAL HG1# . 6763 1 652 . 1 1 71 71 VAL HG21 H 1 0.93 0.005 . . . . . . 210 VAL HG2# . 6763 1 653 . 1 1 71 71 VAL HG22 H 1 0.93 0.005 . . . . . . 210 VAL HG2# . 6763 1 654 . 1 1 71 71 VAL HG23 H 1 0.93 0.005 . . . . . . 210 VAL HG2# . 6763 1 655 . 1 1 71 71 VAL C C 13 176.81 0.000 . . . . . . 210 VAL C . 6763 1 656 . 1 1 71 71 VAL CA C 13 66.69 0.048 . . . . . . 210 VAL CA . 6763 1 657 . 1 1 71 71 VAL CB C 13 31.86 0.027 . . . . . . 210 VAL CB . 6763 1 658 . 1 1 71 71 VAL CG1 C 13 24.56 0.034 . . . . . . 210 VAL CG1 . 6763 1 659 . 1 1 71 71 VAL CG2 C 13 21.13 0.011 . . . . . . 210 VAL CG2 . 6763 1 660 . 1 1 71 71 VAL N N 15 117.08 0.056 . . . . . . 210 VAL N . 6763 1 661 . 1 1 72 72 GLN H H 1 7.24 0.004 . . . . . . 211 GLN H . 6763 1 662 . 1 1 72 72 GLN HA H 1 3.96 0.006 . . . . . . 211 GLN HA . 6763 1 663 . 1 1 72 72 GLN HB2 H 1 2.10 0.011 . . . . . . 211 GLN HB2 . 6763 1 664 . 1 1 72 72 GLN HB3 H 1 2.01 0.010 . . . . . . 211 GLN HB3 . 6763 1 665 . 1 1 72 72 GLN HG2 H 1 2.43 0.004 . . . . . . 211 GLN HG2 . 6763 1 666 . 1 1 72 72 GLN HG3 H 1 2.28 0.007 . . . . . . 211 GLN HG3 . 6763 1 667 . 1 1 72 72 GLN HE21 H 1 7.32 0.003 . . . . . . 211 GLN HE21 . 6763 1 668 . 1 1 72 72 GLN HE22 H 1 6.62 0.003 . . . . . . 211 GLN HE22 . 6763 1 669 . 1 1 72 72 GLN C C 13 177.92 0.000 . . . . . . 211 GLN C . 6763 1 670 . 1 1 72 72 GLN CA C 13 58.28 0.053 . . . . . . 211 GLN CA . 6763 1 671 . 1 1 72 72 GLN CB C 13 28.35 0.079 . . . . . . 211 GLN CB . 6763 1 672 . 1 1 72 72 GLN CG C 13 33.54 0.009 . . . . . . 211 GLN CG . 6763 1 673 . 1 1 72 72 GLN N N 15 116.86 0.054 . . . . . . 211 GLN N . 6763 1 674 . 1 1 72 72 GLN NE2 N 15 110.51 0.200 . . . . . . 211 GLN NE2 . 6763 1 675 . 1 1 73 73 LEU H H 1 7.56 0.010 . . . . . . 212 LEU H . 6763 1 676 . 1 1 73 73 LEU HA H 1 4.04 0.006 . . . . . . 212 LEU HA . 6763 1 677 . 1 1 73 73 LEU HB2 H 1 0.71 0.004 . . . . . . 212 LEU HB2 . 6763 1 678 . 1 1 73 73 LEU HB3 H 1 0.41 0.016 . . . . . . 212 LEU HB3 . 6763 1 679 . 1 1 73 73 LEU HG H 1 1.30 0.007 . . . . . . 212 LEU HG . 6763 1 680 . 1 1 73 73 LEU HD11 H 1 0.45 0.014 . . . . . . 212 LEU HD1# . 6763 1 681 . 1 1 73 73 LEU HD12 H 1 0.45 0.014 . . . . . . 212 LEU HD1# . 6763 1 682 . 1 1 73 73 LEU HD13 H 1 0.45 0.014 . . . . . . 212 LEU HD1# . 6763 1 683 . 1 1 73 73 LEU HD21 H 1 0.07 0.005 . . . . . . 212 LEU HD2# . 6763 1 684 . 1 1 73 73 LEU HD22 H 1 0.07 0.005 . . . . . . 212 LEU HD2# . 6763 1 685 . 1 1 73 73 LEU HD23 H 1 0.07 0.005 . . . . . . 212 LEU HD2# . 6763 1 686 . 1 1 73 73 LEU C C 13 179.39 0.000 . . . . . . 212 LEU C . 6763 1 687 . 1 1 73 73 LEU CA C 13 55.93 0.052 . . . . . . 212 LEU CA . 6763 1 688 . 1 1 73 73 LEU CB C 13 42.92 0.053 . . . . . . 212 LEU CB . 6763 1 689 . 1 1 73 73 LEU CG C 13 26.02 0.024 . . . . . . 212 LEU CG . 6763 1 690 . 1 1 73 73 LEU CD1 C 13 22.10 0.045 . . . . . . 212 LEU CD1 . 6763 1 691 . 1 1 73 73 LEU CD2 C 13 27.21 0.038 . . . . . . 212 LEU CD2 . 6763 1 692 . 1 1 73 73 LEU N N 15 114.06 0.090 . . . . . . 212 LEU N . 6763 1 693 . 1 1 74 74 PHE H H 1 8.19 0.008 . . . . . . 213 PHE H . 6763 1 694 . 1 1 74 74 PHE HA H 1 5.51 0.011 . . . . . . 213 PHE HA . 6763 1 695 . 1 1 74 74 PHE HB2 H 1 3.39 0.007 . . . . . . 213 PHE HB2 . 6763 1 696 . 1 1 74 74 PHE HB3 H 1 2.87 0.008 . . . . . . 213 PHE HB3 . 6763 1 697 . 1 1 74 74 PHE HD1 H 1 7.41 0.004 . . . . . . 213 PHE HD# . 6763 1 698 . 1 1 74 74 PHE HD2 H 1 7.41 0.004 . . . . . . 213 PHE HD# . 6763 1 699 . 1 1 74 74 PHE HE1 H 1 7.21 0.004 . . . . . . 213 PHE HE# . 6763 1 700 . 1 1 74 74 PHE HE2 H 1 7.21 0.004 . . . . . . 213 PHE HE# . 6763 1 701 . 1 1 74 74 PHE HZ H 1 6.64 0.000 . . . . . . 213 PHE HZ . 6763 1 702 . 1 1 74 74 PHE C C 13 174.32 0.000 . . . . . . 213 PHE C . 6763 1 703 . 1 1 74 74 PHE CA C 13 57.49 0.030 . . . . . . 213 PHE CA . 6763 1 704 . 1 1 74 74 PHE CB C 13 39.45 0.070 . . . . . . 213 PHE CB . 6763 1 705 . 1 1 74 74 PHE CD1 C 13 132.06 0.000 . . . . . . 213 PHE CD# . 6763 1 706 . 1 1 74 74 PHE CD2 C 13 132.06 0.000 . . . . . . 213 PHE CD# . 6763 1 707 . 1 1 74 74 PHE N N 15 114.01 0.087 . . . . . . 213 PHE N . 6763 1 708 . 1 1 75 75 ILE H H 1 7.37 0.005 . . . . . . 214 ILE H . 6763 1 709 . 1 1 75 75 ILE HA H 1 4.66 0.008 . . . . . . 214 ILE HA . 6763 1 710 . 1 1 75 75 ILE HB H 1 2.19 0.006 . . . . . . 214 ILE HB . 6763 1 711 . 1 1 75 75 ILE HG12 H 1 1.54 0.005 . . . . . . 214 ILE HG11 . 6763 1 712 . 1 1 75 75 ILE HG13 H 1 0.98 0.035 . . . . . . 214 ILE HG12 . 6763 1 713 . 1 1 75 75 ILE HG21 H 1 0.56 0.006 . . . . . . 214 ILE HG2# . 6763 1 714 . 1 1 75 75 ILE HG22 H 1 0.56 0.006 . . . . . . 214 ILE HG2# . 6763 1 715 . 1 1 75 75 ILE HG23 H 1 0.56 0.006 . . . . . . 214 ILE HG2# . 6763 1 716 . 1 1 75 75 ILE HD11 H 1 0.63 0.028 . . . . . . 214 ILE HD1# . 6763 1 717 . 1 1 75 75 ILE HD12 H 1 0.63 0.028 . . . . . . 214 ILE HD1# . 6763 1 718 . 1 1 75 75 ILE HD13 H 1 0.63 0.028 . . . . . . 214 ILE HD1# . 6763 1 719 . 1 1 75 75 ILE C C 13 175.73 0.000 . . . . . . 214 ILE C . 6763 1 720 . 1 1 75 75 ILE CA C 13 60.21 0.054 . . . . . . 214 ILE CA . 6763 1 721 . 1 1 75 75 ILE CB C 13 37.41 0.074 . . . . . . 214 ILE CB . 6763 1 722 . 1 1 75 75 ILE CG2 C 13 16.75 0.076 . . . . . . 214 ILE CG2 . 6763 1 723 . 1 1 75 75 ILE CD1 C 13 12.63 0.040 . . . . . . 214 ILE CD1 . 6763 1 724 . 1 1 75 75 ILE N N 15 118.64 0.093 . . . . . . 214 ILE N . 6763 1 725 . 1 1 76 76 SER H H 1 8.80 0.004 . . . . . . 215 SER H . 6763 1 726 . 1 1 76 76 SER HA H 1 4.72 0.023 . . . . . . 215 SER HA . 6763 1 727 . 1 1 76 76 SER HB2 H 1 3.89 0.009 . . . . . . 215 SER HB2 . 6763 1 728 . 1 1 76 76 SER HB3 H 1 3.71 0.008 . . . . . . 215 SER HB3 . 6763 1 729 . 1 1 76 76 SER CA C 13 56.88 0.073 . . . . . . 215 SER CA . 6763 1 730 . 1 1 76 76 SER CB C 13 64.51 0.023 . . . . . . 215 SER CB . 6763 1 731 . 1 1 76 76 SER N N 15 122.87 0.049 . . . . . . 215 SER N . 6763 1 732 . 1 1 77 77 GLY HA2 H 1 3.92 0.022 . . . . . . 216 GLY HA2 . 6763 1 733 . 1 1 77 77 GLY HA3 H 1 3.65 0.010 . . . . . . 216 GLY HA3 . 6763 1 734 . 1 1 77 77 GLY C C 13 173.71 0.000 . . . . . . 216 GLY C . 6763 1 735 . 1 1 77 77 GLY CA C 13 47.62 0.058 . . . . . . 216 GLY CA . 6763 1 736 . 1 1 78 78 ASP H H 1 8.62 0.011 . . . . . . 217 ASP H . 6763 1 737 . 1 1 78 78 ASP HA H 1 4.39 0.005 . . . . . . 217 ASP HA . 6763 1 738 . 1 1 78 78 ASP HB2 H 1 2.74 0.008 . . . . . . 217 ASP HB# . 6763 1 739 . 1 1 78 78 ASP HB3 H 1 2.74 0.008 . . . . . . 217 ASP HB# . 6763 1 740 . 1 1 78 78 ASP C C 13 175.20 0.000 . . . . . . 217 ASP C . 6763 1 741 . 1 1 78 78 ASP CA C 13 54.43 0.056 . . . . . . 217 ASP CA . 6763 1 742 . 1 1 78 78 ASP CB C 13 41.42 0.020 . . . . . . 217 ASP CB . 6763 1 743 . 1 1 78 78 ASP N N 15 120.79 0.082 . . . . . . 217 ASP N . 6763 1 744 . 1 1 79 79 LYS H H 1 7.70 0.010 . . . . . . 218 LYS H . 6763 1 745 . 1 1 79 79 LYS HA H 1 4.69 0.007 . . . . . . 218 LYS HA . 6763 1 746 . 1 1 79 79 LYS HB2 H 1 1.80 0.024 . . . . . . 218 LYS HB2 . 6763 1 747 . 1 1 79 79 LYS HB3 H 1 1.77 0.033 . . . . . . 218 LYS HB3 . 6763 1 748 . 1 1 79 79 LYS HG2 H 1 1.44 0.005 . . . . . . 218 LYS HG# . 6763 1 749 . 1 1 79 79 LYS HG3 H 1 1.44 0.005 . . . . . . 218 LYS HG# . 6763 1 750 . 1 1 79 79 LYS C C 13 175.04 0.000 . . . . . . 218 LYS C . 6763 1 751 . 1 1 79 79 LYS CA C 13 54.71 0.106 . . . . . . 218 LYS CA . 6763 1 752 . 1 1 79 79 LYS CB C 13 35.78 0.060 . . . . . . 218 LYS CB . 6763 1 753 . 1 1 79 79 LYS N N 15 118.91 0.063 . . . . . . 218 LYS N . 6763 1 754 . 1 1 80 80 VAL H H 1 8.67 0.004 . . . . . . 219 VAL H . 6763 1 755 . 1 1 80 80 VAL HA H 1 4.63 0.017 . . . . . . 219 VAL HA . 6763 1 756 . 1 1 80 80 VAL HB H 1 2.00 0.010 . . . . . . 219 VAL HB . 6763 1 757 . 1 1 80 80 VAL HG11 H 1 1.08 0.009 . . . . . . 219 VAL HG1# . 6763 1 758 . 1 1 80 80 VAL HG12 H 1 1.08 0.009 . . . . . . 219 VAL HG1# . 6763 1 759 . 1 1 80 80 VAL HG13 H 1 1.08 0.009 . . . . . . 219 VAL HG1# . 6763 1 760 . 1 1 80 80 VAL HG21 H 1 0.91 0.009 . . . . . . 219 VAL HG2# . 6763 1 761 . 1 1 80 80 VAL HG22 H 1 0.91 0.009 . . . . . . 219 VAL HG2# . 6763 1 762 . 1 1 80 80 VAL HG23 H 1 0.91 0.009 . . . . . . 219 VAL HG2# . 6763 1 763 . 1 1 80 80 VAL C C 13 177.60 0.000 . . . . . . 219 VAL C . 6763 1 764 . 1 1 80 80 VAL CA C 13 62.86 0.051 . . . . . . 219 VAL CA . 6763 1 765 . 1 1 80 80 VAL CB C 13 31.69 0.033 . . . . . . 219 VAL CB . 6763 1 766 . 1 1 80 80 VAL CG1 C 13 21.55 0.003 . . . . . . 219 VAL CG1 . 6763 1 767 . 1 1 80 80 VAL CG2 C 13 22.87 0.009 . . . . . . 219 VAL CG2 . 6763 1 768 . 1 1 80 80 VAL N N 15 123.82 0.083 . . . . . . 219 VAL N . 6763 1 769 . 1 1 81 81 ASN H H 1 8.85 0.004 . . . . . . 220 ASN H . 6763 1 770 . 1 1 81 81 ASN HA H 1 4.62 0.005 . . . . . . 220 ASN HA . 6763 1 771 . 1 1 81 81 ASN HB2 H 1 3.26 0.004 . . . . . . 220 ASN HB2 . 6763 1 772 . 1 1 81 81 ASN HB3 H 1 2.49 0.004 . . . . . . 220 ASN HB3 . 6763 1 773 . 1 1 81 81 ASN HD21 H 1 7.23 0.003 . . . . . . 220 ASN HD21 . 6763 1 774 . 1 1 81 81 ASN HD22 H 1 6.76 0.005 . . . . . . 220 ASN HD22 . 6763 1 775 . 1 1 81 81 ASN C C 13 174.96 0.000 . . . . . . 220 ASN C . 6763 1 776 . 1 1 81 81 ASN CA C 13 53.44 0.051 . . . . . . 220 ASN CA . 6763 1 777 . 1 1 81 81 ASN CB C 13 38.88 0.042 . . . . . . 220 ASN CB . 6763 1 778 . 1 1 81 81 ASN N N 15 125.85 0.087 . . . . . . 220 ASN N . 6763 1 779 . 1 1 81 81 ASN ND2 N 15 108.17 0.031 . . . . . . 220 ASN ND2 . 6763 1 780 . 1 1 82 82 VAL H H 1 6.97 0.016 . . . . . . 221 VAL H . 6763 1 781 . 1 1 82 82 VAL HA H 1 4.59 0.006 . . . . . . 221 VAL HA . 6763 1 782 . 1 1 82 82 VAL HB H 1 2.30 0.005 . . . . . . 221 VAL HB . 6763 1 783 . 1 1 82 82 VAL HG11 H 1 0.92 0.005 . . . . . . 221 VAL HG1# . 6763 1 784 . 1 1 82 82 VAL HG12 H 1 0.92 0.005 . . . . . . 221 VAL HG1# . 6763 1 785 . 1 1 82 82 VAL HG13 H 1 0.92 0.005 . . . . . . 221 VAL HG1# . 6763 1 786 . 1 1 82 82 VAL HG21 H 1 0.37 0.003 . . . . . . 221 VAL HG2# . 6763 1 787 . 1 1 82 82 VAL HG22 H 1 0.37 0.003 . . . . . . 221 VAL HG2# . 6763 1 788 . 1 1 82 82 VAL HG23 H 1 0.37 0.003 . . . . . . 221 VAL HG2# . 6763 1 789 . 1 1 82 82 VAL C C 13 174.82 0.000 . . . . . . 221 VAL C . 6763 1 790 . 1 1 82 82 VAL CA C 13 58.68 0.038 . . . . . . 221 VAL CA . 6763 1 791 . 1 1 82 82 VAL CB C 13 36.01 0.008 . . . . . . 221 VAL CB . 6763 1 792 . 1 1 82 82 VAL CG1 C 13 22.60 0.009 . . . . . . 221 VAL CG1 . 6763 1 793 . 1 1 82 82 VAL CG2 C 13 17.33 0.045 . . . . . . 221 VAL CG2 . 6763 1 794 . 1 1 82 82 VAL N N 15 108.71 0.070 . . . . . . 221 VAL N . 6763 1 795 . 1 1 83 83 ALA H H 1 8.98 0.003 . . . . . . 222 ALA H . 6763 1 796 . 1 1 83 83 ALA HA H 1 4.09 0.009 . . . . . . 222 ALA HA . 6763 1 797 . 1 1 83 83 ALA HB1 H 1 0.95 0.008 . . . . . . 222 ALA HB# . 6763 1 798 . 1 1 83 83 ALA HB2 H 1 0.95 0.008 . . . . . . 222 ALA HB# . 6763 1 799 . 1 1 83 83 ALA HB3 H 1 0.95 0.008 . . . . . . 222 ALA HB# . 6763 1 800 . 1 1 83 83 ALA C C 13 177.76 0.000 . . . . . . 222 ALA C . 6763 1 801 . 1 1 83 83 ALA CA C 13 53.43 0.051 . . . . . . 222 ALA CA . 6763 1 802 . 1 1 83 83 ALA CB C 13 18.74 0.073 . . . . . . 222 ALA CB . 6763 1 803 . 1 1 83 83 ALA N N 15 122.18 0.063 . . . . . . 222 ALA N . 6763 1 804 . 1 1 84 84 GLY H H 1 7.04 0.004 . . . . . . 223 GLY H . 6763 1 805 . 1 1 84 84 GLY HA2 H 1 4.33 0.008 . . . . . . 223 GLY HA2 . 6763 1 806 . 1 1 84 84 GLY HA3 H 1 3.88 0.007 . . . . . . 223 GLY HA3 . 6763 1 807 . 1 1 84 84 GLY C C 13 181.92 0.000 . . . . . . 223 GLY C . 6763 1 808 . 1 1 84 84 GLY CA C 13 44.49 0.039 . . . . . . 223 GLY CA . 6763 1 809 . 1 1 84 84 GLY N N 15 98.13 0.108 . . . . . . 223 GLY N . 6763 1 810 . 1 1 85 85 LEU H H 1 8.58 0.005 . . . . . . 224 LEU H . 6763 1 811 . 1 1 85 85 LEU HA H 1 5.34 0.007 . . . . . . 224 LEU HA . 6763 1 812 . 1 1 85 85 LEU HB2 H 1 1.13 0.007 . . . . . . 224 LEU HB2 . 6763 1 813 . 1 1 85 85 LEU HB3 H 1 0.93 0.026 . . . . . . 224 LEU HB3 . 6763 1 814 . 1 1 85 85 LEU HG H 1 0.96 0.019 . . . . . . 224 LEU HG . 6763 1 815 . 1 1 85 85 LEU HD11 H 1 0.42 0.009 . . . . . . 224 LEU HD1# . 6763 1 816 . 1 1 85 85 LEU HD12 H 1 0.42 0.009 . . . . . . 224 LEU HD1# . 6763 1 817 . 1 1 85 85 LEU HD13 H 1 0.42 0.009 . . . . . . 224 LEU HD1# . 6763 1 818 . 1 1 85 85 LEU HD21 H 1 0.11 0.003 . . . . . . 224 LEU HD2# . 6763 1 819 . 1 1 85 85 LEU HD22 H 1 0.11 0.003 . . . . . . 224 LEU HD2# . 6763 1 820 . 1 1 85 85 LEU HD23 H 1 0.11 0.003 . . . . . . 224 LEU HD2# . 6763 1 821 . 1 1 85 85 LEU C C 13 174.84 0.000 . . . . . . 224 LEU C . 6763 1 822 . 1 1 85 85 LEU CA C 13 53.02 0.063 . . . . . . 224 LEU CA . 6763 1 823 . 1 1 85 85 LEU CB C 13 46.98 0.017 . . . . . . 224 LEU CB . 6763 1 824 . 1 1 85 85 LEU CG C 13 27.52 0.025 . . . . . . 224 LEU CG . 6763 1 825 . 1 1 85 85 LEU CD1 C 13 25.72 0.026 . . . . . . 224 LEU CD1 . 6763 1 826 . 1 1 85 85 LEU CD2 C 13 24.85 0.020 . . . . . . 224 LEU CD2 . 6763 1 827 . 1 1 85 85 LEU N N 15 120.73 0.061 . . . . . . 224 LEU N . 6763 1 828 . 1 1 86 86 VAL H H 1 8.64 0.009 . . . . . . 225 VAL H . 6763 1 829 . 1 1 86 86 VAL HA H 1 4.27 0.007 . . . . . . 225 VAL HA . 6763 1 830 . 1 1 86 86 VAL HB H 1 0.74 0.019 . . . . . . 225 VAL HB . 6763 1 831 . 1 1 86 86 VAL HG11 H 1 0.65 0.005 . . . . . . 225 VAL HG1# . 6763 1 832 . 1 1 86 86 VAL HG12 H 1 0.65 0.005 . . . . . . 225 VAL HG1# . 6763 1 833 . 1 1 86 86 VAL HG13 H 1 0.65 0.005 . . . . . . 225 VAL HG1# . 6763 1 834 . 1 1 86 86 VAL HG21 H 1 0.37 0.016 . . . . . . 225 VAL HG2# . 6763 1 835 . 1 1 86 86 VAL HG22 H 1 0.37 0.016 . . . . . . 225 VAL HG2# . 6763 1 836 . 1 1 86 86 VAL HG23 H 1 0.37 0.016 . . . . . . 225 VAL HG2# . 6763 1 837 . 1 1 86 86 VAL C C 13 174.11 0.000 . . . . . . 225 VAL C . 6763 1 838 . 1 1 86 86 VAL CA C 13 61.65 0.036 . . . . . . 225 VAL CA . 6763 1 839 . 1 1 86 86 VAL CB C 13 33.23 0.045 . . . . . . 225 VAL CB . 6763 1 840 . 1 1 86 86 VAL CG1 C 13 20.79 0.069 . . . . . . 225 VAL CG1 . 6763 1 841 . 1 1 86 86 VAL CG2 C 13 20.88 0.000 . . . . . . 225 VAL CG2 . 6763 1 842 . 1 1 86 86 VAL N N 15 123.39 0.083 . . . . . . 225 VAL N . 6763 1 843 . 1 1 87 87 LEU H H 1 8.13 0.007 . . . . . . 226 LEU H . 6763 1 844 . 1 1 87 87 LEU HA H 1 4.92 0.006 . . . . . . 226 LEU HA . 6763 1 845 . 1 1 87 87 LEU HB2 H 1 1.79 0.008 . . . . . . 226 LEU HB2 . 6763 1 846 . 1 1 87 87 LEU HB3 H 1 1.36 0.009 . . . . . . 226 LEU HB3 . 6763 1 847 . 1 1 87 87 LEU HG H 1 1.59 0.008 . . . . . . 226 LEU HG . 6763 1 848 . 1 1 87 87 LEU HD11 H 1 0.85 0.030 . . . . . . 226 LEU HD1# . 6763 1 849 . 1 1 87 87 LEU HD12 H 1 0.85 0.030 . . . . . . 226 LEU HD1# . 6763 1 850 . 1 1 87 87 LEU HD13 H 1 0.85 0.030 . . . . . . 226 LEU HD1# . 6763 1 851 . 1 1 87 87 LEU HD21 H 1 0.65 0.004 . . . . . . 226 LEU HD2# . 6763 1 852 . 1 1 87 87 LEU HD22 H 1 0.65 0.004 . . . . . . 226 LEU HD2# . 6763 1 853 . 1 1 87 87 LEU HD23 H 1 0.65 0.004 . . . . . . 226 LEU HD2# . 6763 1 854 . 1 1 87 87 LEU C C 13 174.26 0.000 . . . . . . 226 LEU C . 6763 1 855 . 1 1 87 87 LEU CA C 13 52.87 0.038 . . . . . . 226 LEU CA . 6763 1 856 . 1 1 87 87 LEU CB C 13 44.13 0.057 . . . . . . 226 LEU CB . 6763 1 857 . 1 1 87 87 LEU CG C 13 27.87 0.000 . . . . . . 226 LEU CG . 6763 1 858 . 1 1 87 87 LEU CD1 C 13 25.84 0.000 . . . . . . 226 LEU CD1 . 6763 1 859 . 1 1 87 87 LEU CD2 C 13 24.66 0.031 . . . . . . 226 LEU CD2 . 6763 1 860 . 1 1 87 87 LEU N N 15 125.76 0.065 . . . . . . 226 LEU N . 6763 1 861 . 1 1 88 88 ALA H H 1 9.32 0.013 . . . . . . 227 ALA H . 6763 1 862 . 1 1 88 88 ALA HA H 1 5.62 0.011 . . . . . . 227 ALA HA . 6763 1 863 . 1 1 88 88 ALA HB1 H 1 1.29 0.005 . . . . . . 227 ALA HB# . 6763 1 864 . 1 1 88 88 ALA HB2 H 1 1.29 0.005 . . . . . . 227 ALA HB# . 6763 1 865 . 1 1 88 88 ALA HB3 H 1 1.29 0.005 . . . . . . 227 ALA HB# . 6763 1 866 . 1 1 88 88 ALA C C 13 174.80 0.000 . . . . . . 227 ALA C . 6763 1 867 . 1 1 88 88 ALA CA C 13 49.70 0.065 . . . . . . 227 ALA CA . 6763 1 868 . 1 1 88 88 ALA CB C 13 23.55 0.089 . . . . . . 227 ALA CB . 6763 1 869 . 1 1 88 88 ALA N N 15 126.48 0.058 . . . . . . 227 ALA N . 6763 1 870 . 1 1 89 89 GLY H H 1 8.07 0.012 . . . . . . 228 GLY H . 6763 1 871 . 1 1 89 89 GLY HA2 H 1 5.33 0.030 . . . . . . 228 GLY HA2 . 6763 1 872 . 1 1 89 89 GLY HA3 H 1 3.79 0.014 . . . . . . 228 GLY HA3 . 6763 1 873 . 1 1 89 89 GLY C C 13 174.03 0.000 . . . . . . 228 GLY C . 6763 1 874 . 1 1 89 89 GLY CA C 13 44.73 0.052 . . . . . . 228 GLY CA . 6763 1 875 . 1 1 89 89 GLY N N 15 106.69 0.094 . . . . . . 228 GLY N . 6763 1 876 . 1 1 90 90 SER H H 1 7.95 0.004 . . . . . . 229 SER H . 6763 1 877 . 1 1 90 90 SER HA H 1 5.04 0.008 . . . . . . 229 SER HA . 6763 1 878 . 1 1 90 90 SER HB2 H 1 4.45 0.013 . . . . . . 229 SER HB2 . 6763 1 879 . 1 1 90 90 SER HB3 H 1 3.91 0.014 . . . . . . 229 SER HB3 . 6763 1 880 . 1 1 90 90 SER C C 13 176.13 0.000 . . . . . . 229 SER C . 6763 1 881 . 1 1 90 90 SER CA C 13 57.69 0.054 . . . . . . 229 SER CA . 6763 1 882 . 1 1 90 90 SER CB C 13 64.61 0.076 . . . . . . 229 SER CB . 6763 1 883 . 1 1 90 90 SER N N 15 116.26 0.107 . . . . . . 229 SER N . 6763 1 884 . 1 1 91 91 ALA H H 1 8.98 0.007 . . . . . . 230 ALA H . 6763 1 885 . 1 1 91 91 ALA HA H 1 4.15 0.009 . . . . . . 230 ALA HA . 6763 1 886 . 1 1 91 91 ALA HB1 H 1 1.53 0.004 . . . . . . 230 ALA HB# . 6763 1 887 . 1 1 91 91 ALA HB2 H 1 1.53 0.004 . . . . . . 230 ALA HB# . 6763 1 888 . 1 1 91 91 ALA HB3 H 1 1.53 0.004 . . . . . . 230 ALA HB# . 6763 1 889 . 1 1 91 91 ALA C C 13 179.12 0.000 . . . . . . 230 ALA C . 6763 1 890 . 1 1 91 91 ALA CA C 13 55.46 0.079 . . . . . . 230 ALA CA . 6763 1 891 . 1 1 91 91 ALA CB C 13 18.40 0.044 . . . . . . 230 ALA CB . 6763 1 892 . 1 1 91 91 ALA N N 15 123.40 0.062 . . . . . . 230 ALA N . 6763 1 893 . 1 1 92 92 ASP H H 1 8.63 0.005 . . . . . . 231 ASP H . 6763 1 894 . 1 1 92 92 ASP HA H 1 4.44 0.006 . . . . . . 231 ASP HA . 6763 1 895 . 1 1 92 92 ASP HB2 H 1 2.48 0.003 . . . . . . 231 ASP HB# . 6763 1 896 . 1 1 92 92 ASP HB3 H 1 2.48 0.003 . . . . . . 231 ASP HB# . 6763 1 897 . 1 1 92 92 ASP C C 13 176.48 0.000 . . . . . . 231 ASP C . 6763 1 898 . 1 1 92 92 ASP CA C 13 55.19 0.059 . . . . . . 231 ASP CA . 6763 1 899 . 1 1 92 92 ASP CB C 13 40.21 0.011 . . . . . . 231 ASP CB . 6763 1 900 . 1 1 92 92 ASP N N 15 114.09 0.061 . . . . . . 231 ASP N . 6763 1 901 . 1 1 93 93 PHE H H 1 7.90 0.003 . . . . . . 232 PHE H . 6763 1 902 . 1 1 93 93 PHE HA H 1 4.55 0.014 . . . . . . 232 PHE HA . 6763 1 903 . 1 1 93 93 PHE HB2 H 1 3.22 0.008 . . . . . . 232 PHE HB2 . 6763 1 904 . 1 1 93 93 PHE HB3 H 1 2.62 0.003 . . . . . . 232 PHE HB3 . 6763 1 905 . 1 1 93 93 PHE HD1 H 1 7.06 0.015 . . . . . . 232 PHE HD# . 6763 1 906 . 1 1 93 93 PHE HD2 H 1 7.06 0.015 . . . . . . 232 PHE HD# . 6763 1 907 . 1 1 93 93 PHE HE1 H 1 6.97 0.000 . . . . . . 232 PHE HE# . 6763 1 908 . 1 1 93 93 PHE HE2 H 1 6.97 0.000 . . . . . . 232 PHE HE# . 6763 1 909 . 1 1 93 93 PHE C C 13 175.64 0.000 . . . . . . 232 PHE C . 6763 1 910 . 1 1 93 93 PHE CA C 13 60.19 0.018 . . . . . . 232 PHE CA . 6763 1 911 . 1 1 93 93 PHE CB C 13 40.42 0.007 . . . . . . 232 PHE CB . 6763 1 912 . 1 1 93 93 PHE N N 15 116.78 0.077 . . . . . . 232 PHE N . 6763 1 913 . 1 1 94 94 LYS H H 1 7.80 0.010 . . . . . . 233 LYS H . 6763 1 914 . 1 1 94 94 LYS HA H 1 3.85 0.006 . . . . . . 233 LYS HA . 6763 1 915 . 1 1 94 94 LYS HB2 H 1 1.94 0.005 . . . . . . 233 LYS HB2 . 6763 1 916 . 1 1 94 94 LYS HB3 H 1 1.77 0.013 . . . . . . 233 LYS HB3 . 6763 1 917 . 1 1 94 94 LYS C C 13 178.29 0.000 . . . . . . 233 LYS C . 6763 1 918 . 1 1 94 94 LYS CA C 13 60.33 0.084 . . . . . . 233 LYS CA . 6763 1 919 . 1 1 94 94 LYS CB C 13 32.43 0.000 . . . . . . 233 LYS CB . 6763 1 920 . 1 1 94 94 LYS N N 15 120.19 0.090 . . . . . . 233 LYS N . 6763 1 921 . 1 1 95 95 THR H H 1 8.19 0.007 . . . . . . 234 THR H . 6763 1 922 . 1 1 95 95 THR HA H 1 3.81 0.013 . . . . . . 234 THR HA . 6763 1 923 . 1 1 95 95 THR HB H 1 4.08 0.010 . . . . . . 234 THR HB . 6763 1 924 . 1 1 95 95 THR HG21 H 1 1.14 0.007 . . . . . . 234 THR HG2# . 6763 1 925 . 1 1 95 95 THR HG22 H 1 1.14 0.007 . . . . . . 234 THR HG2# . 6763 1 926 . 1 1 95 95 THR HG23 H 1 1.14 0.007 . . . . . . 234 THR HG2# . 6763 1 927 . 1 1 95 95 THR C C 13 176.67 0.000 . . . . . . 234 THR C . 6763 1 928 . 1 1 95 95 THR CA C 13 66.33 0.056 . . . . . . 234 THR CA . 6763 1 929 . 1 1 95 95 THR CB C 13 68.19 0.056 . . . . . . 234 THR CB . 6763 1 930 . 1 1 95 95 THR CG2 C 13 21.87 0.107 . . . . . . 234 THR CG2 . 6763 1 931 . 1 1 95 95 THR N N 15 115.03 0.057 . . . . . . 234 THR N . 6763 1 932 . 1 1 96 96 GLU H H 1 8.44 0.007 . . . . . . 235 GLU H . 6763 1 933 . 1 1 96 96 GLU HA H 1 3.95 0.013 . . . . . . 235 GLU HA . 6763 1 934 . 1 1 96 96 GLU HB2 H 1 2.38 0.015 . . . . . . 235 GLU HB2 . 6763 1 935 . 1 1 96 96 GLU HB3 H 1 2.17 0.000 . . . . . . 235 GLU HB3 . 6763 1 936 . 1 1 96 96 GLU C C 13 178.82 0.000 . . . . . . 235 GLU C . 6763 1 937 . 1 1 96 96 GLU CA C 13 60.68 0.035 . . . . . . 235 GLU CA . 6763 1 938 . 1 1 96 96 GLU CB C 13 28.98 0.063 . . . . . . 235 GLU CB . 6763 1 939 . 1 1 96 96 GLU N N 15 122.74 0.120 . . . . . . 235 GLU N . 6763 1 940 . 1 1 97 97 LEU H H 1 8.06 0.008 . . . . . . 236 LEU H . 6763 1 941 . 1 1 97 97 LEU HA H 1 4.12 0.007 . . . . . . 236 LEU HA . 6763 1 942 . 1 1 97 97 LEU HB2 H 1 1.62 0.010 . . . . . . 236 LEU HB2 . 6763 1 943 . 1 1 97 97 LEU HB3 H 1 1.60 0.019 . . . . . . 236 LEU HB3 . 6763 1 944 . 1 1 97 97 LEU HG H 1 1.61 0.006 . . . . . . 236 LEU HG . 6763 1 945 . 1 1 97 97 LEU HD11 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 946 . 1 1 97 97 LEU HD12 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 947 . 1 1 97 97 LEU HD13 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 948 . 1 1 97 97 LEU HD21 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 949 . 1 1 97 97 LEU HD22 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 950 . 1 1 97 97 LEU HD23 H 1 0.78 0.016 . . . . . . 236 LEU HD# . 6763 1 951 . 1 1 97 97 LEU C C 13 176.62 0.000 . . . . . . 236 LEU C . 6763 1 952 . 1 1 97 97 LEU CA C 13 57.05 0.061 . . . . . . 236 LEU CA . 6763 1 953 . 1 1 97 97 LEU CB C 13 42.33 0.049 . . . . . . 236 LEU CB . 6763 1 954 . 1 1 97 97 LEU CD1 C 13 24.64 0.000 . . . . . . 236 LEU CD1 . 6763 1 955 . 1 1 97 97 LEU CD2 C 13 24.62 0.000 . . . . . . 236 LEU CD2 . 6763 1 956 . 1 1 97 97 LEU N N 15 115.72 0.073 . . . . . . 236 LEU N . 6763 1 957 . 1 1 98 98 SER H H 1 7.46 0.011 . . . . . . 237 SER H . 6763 1 958 . 1 1 98 98 SER HA H 1 4.17 0.010 . . . . . . 237 SER HA . 6763 1 959 . 1 1 98 98 SER HB2 H 1 4.00 0.011 . . . . . . 237 SER HB2 . 6763 1 960 . 1 1 98 98 SER HB3 H 1 3.85 0.025 . . . . . . 237 SER HB3 . 6763 1 961 . 1 1 98 98 SER C C 13 174.79 0.000 . . . . . . 237 SER C . 6763 1 962 . 1 1 98 98 SER CA C 13 59.46 0.061 . . . . . . 237 SER CA . 6763 1 963 . 1 1 98 98 SER CB C 13 63.73 0.074 . . . . . . 237 SER CB . 6763 1 964 . 1 1 98 98 SER N N 15 109.34 0.099 . . . . . . 237 SER N . 6763 1 965 . 1 1 99 99 GLN H H 1 7.35 0.005 . . . . . . 238 GLN H . 6763 1 966 . 1 1 99 99 GLN HA H 1 4.33 0.007 . . . . . . 238 GLN HA . 6763 1 967 . 1 1 99 99 GLN HB2 H 1 2.25 0.012 . . . . . . 238 GLN HB2 . 6763 1 968 . 1 1 99 99 GLN HB3 H 1 2.05 0.009 . . . . . . 238 GLN HB3 . 6763 1 969 . 1 1 99 99 GLN HG2 H 1 2.57 0.001 . . . . . . 238 GLN HG# . 6763 1 970 . 1 1 99 99 GLN HG3 H 1 2.57 0.001 . . . . . . 238 GLN HG# . 6763 1 971 . 1 1 99 99 GLN HE21 H 1 7.55 0.001 . . . . . . 238 GLN HE21 . 6763 1 972 . 1 1 99 99 GLN HE22 H 1 6.82 0.002 . . . . . . 238 GLN HE22 . 6763 1 973 . 1 1 99 99 GLN C C 13 177.08 0.000 . . . . . . 238 GLN C . 6763 1 974 . 1 1 99 99 GLN CA C 13 55.85 0.070 . . . . . . 238 GLN CA . 6763 1 975 . 1 1 99 99 GLN CB C 13 29.31 0.063 . . . . . . 238 GLN CB . 6763 1 976 . 1 1 99 99 GLN N N 15 119.79 0.074 . . . . . . 238 GLN N . 6763 1 977 . 1 1 99 99 GLN NE2 N 15 112.28 0.032 . . . . . . 238 GLN NE2 . 6763 1 978 . 1 1 100 100 SER H H 1 8.39 0.010 . . . . . . 239 SER H . 6763 1 979 . 1 1 100 100 SER HA H 1 4.28 0.006 . . . . . . 239 SER HA . 6763 1 980 . 1 1 100 100 SER HB2 H 1 4.04 0.008 . . . . . . 239 SER HB2 . 6763 1 981 . 1 1 100 100 SER HB3 H 1 3.93 0.013 . . . . . . 239 SER HB3 . 6763 1 982 . 1 1 100 100 SER C C 13 174.90 0.000 . . . . . . 239 SER C . 6763 1 983 . 1 1 100 100 SER CA C 13 59.98 0.087 . . . . . . 239 SER CA . 6763 1 984 . 1 1 100 100 SER CB C 13 63.53 0.062 . . . . . . 239 SER CB . 6763 1 985 . 1 1 100 100 SER N N 15 117.82 0.183 . . . . . . 239 SER N . 6763 1 986 . 1 1 101 101 ASP H H 1 8.41 0.015 . . . . . . 240 ASP H . 6763 1 987 . 1 1 101 101 ASP HA H 1 4.62 0.011 . . . . . . 240 ASP HA . 6763 1 988 . 1 1 101 101 ASP HB2 H 1 2.85 0.007 . . . . . . 240 ASP HB2 . 6763 1 989 . 1 1 101 101 ASP HB3 H 1 2.60 0.005 . . . . . . 240 ASP HB3 . 6763 1 990 . 1 1 101 101 ASP C C 13 176.45 0.000 . . . . . . 240 ASP C . 6763 1 991 . 1 1 101 101 ASP CA C 13 60.82 15.571 . . . . . . 240 ASP CA . 6763 1 992 . 1 1 101 101 ASP CB C 13 39.97 0.075 . . . . . . 240 ASP CB . 6763 1 993 . 1 1 101 101 ASP N N 15 120.78 0.066 . . . . . . 240 ASP N . 6763 1 994 . 1 1 102 102 MET H H 1 7.61 0.011 . . . . . . 241 MET H . 6763 1 995 . 1 1 102 102 MET HA H 1 4.11 0.003 . . . . . . 241 MET HA . 6763 1 996 . 1 1 102 102 MET HB2 H 1 1.90 0.018 . . . . . . 241 MET HB# . 6763 1 997 . 1 1 102 102 MET HB3 H 1 1.90 0.018 . . . . . . 241 MET HB# . 6763 1 998 . 1 1 102 102 MET HG2 H 1 1.73 0.000 . . . . . . 241 MET HG# . 6763 1 999 . 1 1 102 102 MET HG3 H 1 1.73 0.000 . . . . . . 241 MET HG# . 6763 1 1000 . 1 1 102 102 MET HE1 H 1 1.70 0.003 . . . . . . 241 MET HE# . 6763 1 1001 . 1 1 102 102 MET HE2 H 1 1.70 0.003 . . . . . . 241 MET HE# . 6763 1 1002 . 1 1 102 102 MET HE3 H 1 1.70 0.003 . . . . . . 241 MET HE# . 6763 1 1003 . 1 1 102 102 MET C C 13 175.83 0.000 . . . . . . 241 MET C . 6763 1 1004 . 1 1 102 102 MET CA C 13 57.63 0.082 . . . . . . 241 MET CA . 6763 1 1005 . 1 1 102 102 MET CB C 13 32.38 0.118 . . . . . . 241 MET CB . 6763 1 1006 . 1 1 102 102 MET CE C 13 17.85 0.038 . . . . . . 241 MET CE . 6763 1 1007 . 1 1 102 102 MET N N 15 118.67 0.085 . . . . . . 241 MET N . 6763 1 1008 . 1 1 103 103 PHE H H 1 8.14 0.014 . . . . . . 242 PHE H . 6763 1 1009 . 1 1 103 103 PHE HA H 1 4.88 0.008 . . . . . . 242 PHE HA . 6763 1 1010 . 1 1 103 103 PHE HB2 H 1 3.18 0.012 . . . . . . 242 PHE HB2 . 6763 1 1011 . 1 1 103 103 PHE HB3 H 1 2.81 0.006 . . . . . . 242 PHE HB3 . 6763 1 1012 . 1 1 103 103 PHE HD1 H 1 7.28 0.006 . . . . . . 242 PHE HD# . 6763 1 1013 . 1 1 103 103 PHE HD2 H 1 7.28 0.006 . . . . . . 242 PHE HD# . 6763 1 1014 . 1 1 103 103 PHE HE1 H 1 7.11 0.011 . . . . . . 242 PHE HE# . 6763 1 1015 . 1 1 103 103 PHE HE2 H 1 7.11 0.011 . . . . . . 242 PHE HE# . 6763 1 1016 . 1 1 103 103 PHE HZ H 1 6.81 0.008 . . . . . . 242 PHE HZ . 6763 1 1017 . 1 1 103 103 PHE C C 13 174.86 0.000 . . . . . . 242 PHE C . 6763 1 1018 . 1 1 103 103 PHE CA C 13 56.13 0.050 . . . . . . 242 PHE CA . 6763 1 1019 . 1 1 103 103 PHE CB C 13 41.42 0.021 . . . . . . 242 PHE CB . 6763 1 1020 . 1 1 103 103 PHE CD1 C 13 131.82 0.020 . . . . . . 242 PHE CD# . 6763 1 1021 . 1 1 103 103 PHE CD2 C 13 131.82 0.020 . . . . . . 242 PHE CD# . 6763 1 1022 . 1 1 103 103 PHE CE1 C 13 130.63 0.001 . . . . . . 242 PHE CE# . 6763 1 1023 . 1 1 103 103 PHE CE2 C 13 130.63 0.001 . . . . . . 242 PHE CE# . 6763 1 1024 . 1 1 103 103 PHE CZ C 13 128.47 0.001 . . . . . . 242 PHE CZ . 6763 1 1025 . 1 1 103 103 PHE N N 15 115.08 0.121 . . . . . . 242 PHE N . 6763 1 1026 . 1 1 104 104 ASP H H 1 8.05 0.005 . . . . . . 243 ASP H . 6763 1 1027 . 1 1 104 104 ASP HA H 1 4.35 0.010 . . . . . . 243 ASP HA . 6763 1 1028 . 1 1 104 104 ASP HB2 H 1 2.71 0.007 . . . . . . 243 ASP HB2 . 6763 1 1029 . 1 1 104 104 ASP HB3 H 1 2.33 0.007 . . . . . . 243 ASP HB3 . 6763 1 1030 . 1 1 104 104 ASP C C 13 177.60 0.000 . . . . . . 243 ASP C . 6763 1 1031 . 1 1 104 104 ASP CA C 13 54.76 0.059 . . . . . . 243 ASP CA . 6763 1 1032 . 1 1 104 104 ASP CB C 13 44.49 0.024 . . . . . . 243 ASP CB . 6763 1 1033 . 1 1 104 104 ASP N N 15 121.98 0.067 . . . . . . 243 ASP N . 6763 1 1034 . 1 1 105 105 GLN H H 1 9.33 0.007 . . . . . . 244 GLN H . 6763 1 1035 . 1 1 105 105 GLN HA H 1 4.02 0.004 . . . . . . 244 GLN HA . 6763 1 1036 . 1 1 105 105 GLN HB2 H 1 2.18 0.010 . . . . . . 244 GLN HB# . 6763 1 1037 . 1 1 105 105 GLN HB3 H 1 2.18 0.010 . . . . . . 244 GLN HB# . 6763 1 1038 . 1 1 105 105 GLN HG2 H 1 2.52 0.001 . . . . . . 244 GLN HG# . 6763 1 1039 . 1 1 105 105 GLN HG3 H 1 2.52 0.001 . . . . . . 244 GLN HG# . 6763 1 1040 . 1 1 105 105 GLN HE21 H 1 7.61 0.002 . . . . . . 244 GLN HE21 . 6763 1 1041 . 1 1 105 105 GLN HE22 H 1 6.89 0.002 . . . . . . 244 GLN HE22 . 6763 1 1042 . 1 1 105 105 GLN C C 13 177.69 0.000 . . . . . . 244 GLN C . 6763 1 1043 . 1 1 105 105 GLN CA C 13 59.57 0.047 . . . . . . 244 GLN CA . 6763 1 1044 . 1 1 105 105 GLN CB C 13 28.47 0.176 . . . . . . 244 GLN CB . 6763 1 1045 . 1 1 105 105 GLN CG C 13 33.54 0.035 . . . . . . 244 GLN CG . 6763 1 1046 . 1 1 105 105 GLN N N 15 128.04 0.117 . . . . . . 244 GLN N . 6763 1 1047 . 1 1 105 105 GLN NE2 N 15 111.90 0.189 . . . . . . 244 GLN NE2 . 6763 1 1048 . 1 1 106 106 ARG H H 1 9.31 0.004 . . . . . . 245 ARG H . 6763 1 1049 . 1 1 106 106 ARG HA H 1 4.02 0.006 . . . . . . 245 ARG HA . 6763 1 1050 . 1 1 106 106 ARG HD2 H 1 3.39 0.007 . . . . . . 245 ARG HD2 . 6763 1 1051 . 1 1 106 106 ARG HD3 H 1 2.84 0.008 . . . . . . 245 ARG HD3 . 6763 1 1052 . 1 1 106 106 ARG HE H 1 8.13 0.002 . . . . . . 245 ARG HE . 6763 1 1053 . 1 1 106 106 ARG C C 13 179.02 0.000 . . . . . . 245 ARG C . 6763 1 1054 . 1 1 106 106 ARG CA C 13 59.02 0.058 . . . . . . 245 ARG CA . 6763 1 1055 . 1 1 106 106 ARG CB C 13 30.56 0.000 . . . . . . 245 ARG CB . 6763 1 1056 . 1 1 106 106 ARG CD C 13 43.72 0.068 . . . . . . 245 ARG CD . 6763 1 1057 . 1 1 106 106 ARG N N 15 118.69 0.053 . . . . . . 245 ARG N . 6763 1 1058 . 1 1 106 106 ARG NE N 15 84.29 0.023 . . . . . . 245 ARG NE . 6763 1 1059 . 1 1 107 107 LEU H H 1 7.27 0.010 . . . . . . 246 LEU H . 6763 1 1060 . 1 1 107 107 LEU HA H 1 3.97 0.009 . . . . . . 246 LEU HA . 6763 1 1061 . 1 1 107 107 LEU HB2 H 1 1.74 0.010 . . . . . . 246 LEU HB# . 6763 1 1062 . 1 1 107 107 LEU HB3 H 1 1.74 0.010 . . . . . . 246 LEU HB# . 6763 1 1063 . 1 1 107 107 LEU HG H 1 1.52 0.006 . . . . . . 246 LEU HG . 6763 1 1064 . 1 1 107 107 LEU HD11 H 1 0.88 0.015 . . . . . . 246 LEU HD1# . 6763 1 1065 . 1 1 107 107 LEU HD12 H 1 0.88 0.015 . . . . . . 246 LEU HD1# . 6763 1 1066 . 1 1 107 107 LEU HD13 H 1 0.88 0.015 . . . . . . 246 LEU HD1# . 6763 1 1067 . 1 1 107 107 LEU HD21 H 1 0.70 0.013 . . . . . . 246 LEU HD2# . 6763 1 1068 . 1 1 107 107 LEU HD22 H 1 0.70 0.013 . . . . . . 246 LEU HD2# . 6763 1 1069 . 1 1 107 107 LEU HD23 H 1 0.70 0.013 . . . . . . 246 LEU HD2# . 6763 1 1070 . 1 1 107 107 LEU C C 13 178.64 0.000 . . . . . . 246 LEU C . 6763 1 1071 . 1 1 107 107 LEU CA C 13 56.20 0.076 . . . . . . 246 LEU CA . 6763 1 1072 . 1 1 107 107 LEU CB C 13 41.63 0.000 . . . . . . 246 LEU CB . 6763 1 1073 . 1 1 107 107 LEU CD1 C 13 27.23 0.008 . . . . . . 246 LEU CD1 . 6763 1 1074 . 1 1 107 107 LEU N N 15 113.79 0.076 . . . . . . 246 LEU N . 6763 1 1075 . 1 1 108 108 GLN H H 1 8.34 0.006 . . . . . . 247 GLN H . 6763 1 1076 . 1 1 108 108 GLN HA H 1 3.80 0.013 . . . . . . 247 GLN HA . 6763 1 1077 . 1 1 108 108 GLN HB2 H 1 2.13 0.010 . . . . . . 247 GLN HB# . 6763 1 1078 . 1 1 108 108 GLN HB3 H 1 2.13 0.010 . . . . . . 247 GLN HB# . 6763 1 1079 . 1 1 108 108 GLN HG2 H 1 2.53 0.001 . . . . . . 247 GLN HG2 . 6763 1 1080 . 1 1 108 108 GLN HG3 H 1 2.40 0.000 . . . . . . 247 GLN HG3 . 6763 1 1081 . 1 1 108 108 GLN HE21 H 1 7.47 0.001 . . . . . . 247 GLN HE21 . 6763 1 1082 . 1 1 108 108 GLN HE22 H 1 6.99 0.001 . . . . . . 247 GLN HE22 . 6763 1 1083 . 1 1 108 108 GLN C C 13 179.20 0.000 . . . . . . 247 GLN C . 6763 1 1084 . 1 1 108 108 GLN CA C 13 59.21 0.068 . . . . . . 247 GLN CA . 6763 1 1085 . 1 1 108 108 GLN CB C 13 29.07 0.031 . . . . . . 247 GLN CB . 6763 1 1086 . 1 1 108 108 GLN N N 15 119.10 0.129 . . . . . . 247 GLN N . 6763 1 1087 . 1 1 108 108 GLN NE2 N 15 111.06 0.052 . . . . . . 247 GLN NE2 . 6763 1 1088 . 1 1 109 109 SER H H 1 7.85 0.005 . . . . . . 248 SER H . 6763 1 1089 . 1 1 109 109 SER HA H 1 4.29 0.012 . . . . . . 248 SER HA . 6763 1 1090 . 1 1 109 109 SER HB2 H 1 4.01 0.015 . . . . . . 248 SER HB# . 6763 1 1091 . 1 1 109 109 SER HB3 H 1 4.01 0.015 . . . . . . 248 SER HB# . 6763 1 1092 . 1 1 109 109 SER C C 13 174.52 0.000 . . . . . . 248 SER C . 6763 1 1093 . 1 1 109 109 SER CA C 13 60.58 0.044 . . . . . . 248 SER CA . 6763 1 1094 . 1 1 109 109 SER CB C 13 63.60 0.042 . . . . . . 248 SER CB . 6763 1 1095 . 1 1 109 109 SER N N 15 110.11 0.078 . . . . . . 248 SER N . 6763 1 1096 . 1 1 110 110 LYS H H 1 7.48 0.006 . . . . . . 249 LYS H . 6763 1 1097 . 1 1 110 110 LYS HA H 1 4.54 0.010 . . . . . . 249 LYS HA . 6763 1 1098 . 1 1 110 110 LYS HB2 H 1 1.88 0.004 . . . . . . 249 LYS HB2 . 6763 1 1099 . 1 1 110 110 LYS HB3 H 1 1.70 0.016 . . . . . . 249 LYS HB3 . 6763 1 1100 . 1 1 110 110 LYS C C 13 175.68 0.000 . . . . . . 249 LYS C . 6763 1 1101 . 1 1 110 110 LYS CA C 13 54.07 0.039 . . . . . . 249 LYS CA . 6763 1 1102 . 1 1 110 110 LYS CB C 13 33.14 0.032 . . . . . . 249 LYS CB . 6763 1 1103 . 1 1 110 110 LYS N N 15 118.60 0.099 . . . . . . 249 LYS N . 6763 1 1104 . 1 1 111 111 VAL H H 1 7.28 0.003 . . . . . . 250 VAL H . 6763 1 1105 . 1 1 111 111 VAL HA H 1 3.95 0.012 . . . . . . 250 VAL HA . 6763 1 1106 . 1 1 111 111 VAL HB H 1 2.16 0.016 . . . . . . 250 VAL HB . 6763 1 1107 . 1 1 111 111 VAL HG11 H 1 0.95 0.003 . . . . . . 250 VAL HG1# . 6763 1 1108 . 1 1 111 111 VAL HG12 H 1 0.95 0.003 . . . . . . 250 VAL HG1# . 6763 1 1109 . 1 1 111 111 VAL HG13 H 1 0.95 0.003 . . . . . . 250 VAL HG1# . 6763 1 1110 . 1 1 111 111 VAL HG21 H 1 0.78 0.006 . . . . . . 250 VAL HG2# . 6763 1 1111 . 1 1 111 111 VAL HG22 H 1 0.78 0.006 . . . . . . 250 VAL HG2# . 6763 1 1112 . 1 1 111 111 VAL HG23 H 1 0.78 0.006 . . . . . . 250 VAL HG2# . 6763 1 1113 . 1 1 111 111 VAL C C 13 176.66 0.000 . . . . . . 250 VAL C . 6763 1 1114 . 1 1 111 111 VAL CA C 13 64.18 0.071 . . . . . . 250 VAL CA . 6763 1 1115 . 1 1 111 111 VAL CB C 13 31.48 0.087 . . . . . . 250 VAL CB . 6763 1 1116 . 1 1 111 111 VAL CG1 C 13 22.60 0.018 . . . . . . 250 VAL CG1 . 6763 1 1117 . 1 1 111 111 VAL CG2 C 13 21.44 0.000 . . . . . . 250 VAL CG2 . 6763 1 1118 . 1 1 111 111 VAL N N 15 121.66 0.029 . . . . . . 250 VAL N . 6763 1 1119 . 1 1 112 112 LEU H H 1 9.60 0.006 . . . . . . 251 LEU H . 6763 1 1120 . 1 1 112 112 LEU HA H 1 4.36 0.004 . . . . . . 251 LEU HA . 6763 1 1121 . 1 1 112 112 LEU HB2 H 1 1.37 0.014 . . . . . . 251 LEU HB2 . 6763 1 1122 . 1 1 112 112 LEU HB3 H 1 1.29 0.007 . . . . . . 251 LEU HB3 . 6763 1 1123 . 1 1 112 112 LEU HG H 1 1.73 0.012 . . . . . . 251 LEU HG . 6763 1 1124 . 1 1 112 112 LEU HD11 H 1 0.76 0.009 . . . . . . 251 LEU HD1# . 6763 1 1125 . 1 1 112 112 LEU HD12 H 1 0.76 0.009 . . . . . . 251 LEU HD1# . 6763 1 1126 . 1 1 112 112 LEU HD13 H 1 0.76 0.009 . . . . . . 251 LEU HD1# . 6763 1 1127 . 1 1 112 112 LEU HD21 H 1 0.64 0.005 . . . . . . 251 LEU HD2# . 6763 1 1128 . 1 1 112 112 LEU HD22 H 1 0.64 0.005 . . . . . . 251 LEU HD2# . 6763 1 1129 . 1 1 112 112 LEU HD23 H 1 0.64 0.005 . . . . . . 251 LEU HD2# . 6763 1 1130 . 1 1 112 112 LEU C C 13 176.91 0.000 . . . . . . 251 LEU C . 6763 1 1131 . 1 1 112 112 LEU CA C 13 55.10 0.044 . . . . . . 251 LEU CA . 6763 1 1132 . 1 1 112 112 LEU CB C 13 43.91 0.073 . . . . . . 251 LEU CB . 6763 1 1133 . 1 1 112 112 LEU CG C 13 26.99 0.060 . . . . . . 251 LEU CG . 6763 1 1134 . 1 1 112 112 LEU CD1 C 13 22.25 0.042 . . . . . . 251 LEU CD1 . 6763 1 1135 . 1 1 112 112 LEU CD2 C 13 26.03 0.019 . . . . . . 251 LEU CD2 . 6763 1 1136 . 1 1 112 112 LEU N N 15 128.59 0.075 . . . . . . 251 LEU N . 6763 1 1137 . 1 1 113 113 LYS H H 1 7.09 0.004 . . . . . . 252 LYS H . 6763 1 1138 . 1 1 113 113 LYS HA H 1 4.29 0.005 . . . . . . 252 LYS HA . 6763 1 1139 . 1 1 113 113 LYS HB2 H 1 1.46 0.008 . . . . . . 252 LYS HB# . 6763 1 1140 . 1 1 113 113 LYS HB3 H 1 1.46 0.008 . . . . . . 252 LYS HB# . 6763 1 1141 . 1 1 113 113 LYS C C 13 172.06 0.000 . . . . . . 252 LYS C . 6763 1 1142 . 1 1 113 113 LYS CA C 13 56.10 0.034 . . . . . . 252 LYS CA . 6763 1 1143 . 1 1 113 113 LYS CB C 13 36.84 0.045 . . . . . . 252 LYS CB . 6763 1 1144 . 1 1 113 113 LYS N N 15 115.90 0.081 . . . . . . 252 LYS N . 6763 1 1145 . 1 1 114 114 LEU H H 1 8.27 0.005 . . . . . . 253 LEU H . 6763 1 1146 . 1 1 114 114 LEU HA H 1 5.40 0.005 . . . . . . 253 LEU HA . 6763 1 1147 . 1 1 114 114 LEU HB2 H 1 1.49 0.007 . . . . . . 253 LEU HB# . 6763 1 1148 . 1 1 114 114 LEU HB3 H 1 1.49 0.007 . . . . . . 253 LEU HB# . 6763 1 1149 . 1 1 114 114 LEU HG H 1 1.79 0.000 . . . . . . 253 LEU HG . 6763 1 1150 . 1 1 114 114 LEU HD11 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1151 . 1 1 114 114 LEU HD12 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1152 . 1 1 114 114 LEU HD13 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1153 . 1 1 114 114 LEU HD21 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1154 . 1 1 114 114 LEU HD22 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1155 . 1 1 114 114 LEU HD23 H 1 0.83 0.005 . . . . . . 253 LEU HD# . 6763 1 1156 . 1 1 114 114 LEU C C 13 176.43 0.000 . . . . . . 253 LEU C . 6763 1 1157 . 1 1 114 114 LEU CA C 13 53.95 0.053 . . . . . . 253 LEU CA . 6763 1 1158 . 1 1 114 114 LEU CB C 13 43.15 0.054 . . . . . . 253 LEU CB . 6763 1 1159 . 1 1 114 114 LEU CD1 C 13 26.09 0.000 . . . . . . 253 LEU CD1 . 6763 1 1160 . 1 1 114 114 LEU CD2 C 13 25.31 0.000 . . . . . . 253 LEU CD2 . 6763 1 1161 . 1 1 114 114 LEU N N 15 126.43 0.042 . . . . . . 253 LEU N . 6763 1 1162 . 1 1 115 115 VAL H H 1 9.25 0.008 . . . . . . 254 VAL H . 6763 1 1163 . 1 1 115 115 VAL HA H 1 4.53 0.008 . . . . . . 254 VAL HA . 6763 1 1164 . 1 1 115 115 VAL HB H 1 1.98 0.008 . . . . . . 254 VAL HB . 6763 1 1165 . 1 1 115 115 VAL HG11 H 1 0.82 0.006 . . . . . . 254 VAL HG1# . 6763 1 1166 . 1 1 115 115 VAL HG12 H 1 0.82 0.006 . . . . . . 254 VAL HG1# . 6763 1 1167 . 1 1 115 115 VAL HG13 H 1 0.82 0.006 . . . . . . 254 VAL HG1# . 6763 1 1168 . 1 1 115 115 VAL HG21 H 1 0.82 0.006 . . . . . . 254 VAL HG2# . 6763 1 1169 . 1 1 115 115 VAL HG22 H 1 0.82 0.006 . . . . . . 254 VAL HG2# . 6763 1 1170 . 1 1 115 115 VAL HG23 H 1 0.82 0.006 . . . . . . 254 VAL HG2# . 6763 1 1171 . 1 1 115 115 VAL C C 13 174.01 0.000 . . . . . . 254 VAL C . 6763 1 1172 . 1 1 115 115 VAL CA C 13 59.97 0.031 . . . . . . 254 VAL CA . 6763 1 1173 . 1 1 115 115 VAL CB C 13 34.94 0.030 . . . . . . 254 VAL CB . 6763 1 1174 . 1 1 115 115 VAL CG1 C 13 22.61 0.022 . . . . . . 254 VAL CG1 . 6763 1 1175 . 1 1 115 115 VAL CG2 C 13 21.00 0.011 . . . . . . 254 VAL CG2 . 6763 1 1176 . 1 1 115 115 VAL N N 15 121.44 0.036 . . . . . . 254 VAL N . 6763 1 1177 . 1 1 116 116 ASP H H 1 8.39 0.008 . . . . . . 255 ASP H . 6763 1 1178 . 1 1 116 116 ASP HA H 1 5.07 0.010 . . . . . . 255 ASP HA . 6763 1 1179 . 1 1 116 116 ASP HB2 H 1 2.65 0.012 . . . . . . 255 ASP HB2 . 6763 1 1180 . 1 1 116 116 ASP HB3 H 1 2.54 0.008 . . . . . . 255 ASP HB3 . 6763 1 1181 . 1 1 116 116 ASP C C 13 175.08 0.000 . . . . . . 255 ASP C . 6763 1 1182 . 1 1 116 116 ASP CA C 13 53.96 0.056 . . . . . . 255 ASP CA . 6763 1 1183 . 1 1 116 116 ASP CB C 13 41.70 0.017 . . . . . . 255 ASP CB . 6763 1 1184 . 1 1 116 116 ASP N N 15 125.58 0.045 . . . . . . 255 ASP N . 6763 1 1185 . 1 1 117 117 ILE H H 1 7.31 0.011 . . . . . . 256 ILE H . 6763 1 1186 . 1 1 117 117 ILE HA H 1 4.63 0.007 . . . . . . 256 ILE HA . 6763 1 1187 . 1 1 117 117 ILE HB H 1 2.08 0.018 . . . . . . 256 ILE HB . 6763 1 1188 . 1 1 117 117 ILE HG21 H 1 0.82 0.003 . . . . . . 256 ILE HG2# . 6763 1 1189 . 1 1 117 117 ILE HG22 H 1 0.82 0.003 . . . . . . 256 ILE HG2# . 6763 1 1190 . 1 1 117 117 ILE HG23 H 1 0.82 0.003 . . . . . . 256 ILE HG2# . 6763 1 1191 . 1 1 117 117 ILE HD11 H 1 0.72 0.008 . . . . . . 256 ILE HD1# . 6763 1 1192 . 1 1 117 117 ILE HD12 H 1 0.72 0.008 . . . . . . 256 ILE HD1# . 6763 1 1193 . 1 1 117 117 ILE HD13 H 1 0.72 0.008 . . . . . . 256 ILE HD1# . 6763 1 1194 . 1 1 117 117 ILE C C 13 176.22 0.000 . . . . . . 256 ILE C . 6763 1 1195 . 1 1 117 117 ILE CA C 13 58.97 0.039 . . . . . . 256 ILE CA . 6763 1 1196 . 1 1 117 117 ILE CB C 13 41.38 0.044 . . . . . . 256 ILE CB . 6763 1 1197 . 1 1 117 117 ILE CG2 C 13 19.76 0.044 . . . . . . 256 ILE CG2 . 6763 1 1198 . 1 1 117 117 ILE CD1 C 13 14.58 0.022 . . . . . . 256 ILE CD1 . 6763 1 1199 . 1 1 117 117 ILE N N 15 113.69 0.052 . . . . . . 256 ILE N . 6763 1 1200 . 1 1 118 118 SER H H 1 9.11 0.008 . . . . . . 257 SER H . 6763 1 1201 . 1 1 118 118 SER HA H 1 4.33 0.007 . . . . . . 257 SER HA . 6763 1 1202 . 1 1 118 118 SER HB2 H 1 3.65 0.010 . . . . . . 257 SER HB2 . 6763 1 1203 . 1 1 118 118 SER HB3 H 1 3.47 0.009 . . . . . . 257 SER HB3 . 6763 1 1204 . 1 1 118 118 SER C C 13 173.42 0.000 . . . . . . 257 SER C . 6763 1 1205 . 1 1 118 118 SER CA C 13 59.52 0.095 . . . . . . 257 SER CA . 6763 1 1206 . 1 1 118 118 SER CB C 13 63.65 0.065 . . . . . . 257 SER CB . 6763 1 1207 . 1 1 118 118 SER N N 15 115.97 0.043 . . . . . . 257 SER N . 6763 1 1208 . 1 1 119 119 TYR H H 1 7.35 0.003 . . . . . . 258 TYR H . 6763 1 1209 . 1 1 119 119 TYR HA H 1 4.67 0.005 . . . . . . 258 TYR HA . 6763 1 1210 . 1 1 119 119 TYR HB2 H 1 3.26 0.005 . . . . . . 258 TYR HB2 . 6763 1 1211 . 1 1 119 119 TYR HB3 H 1 2.64 0.007 . . . . . . 258 TYR HB3 . 6763 1 1212 . 1 1 119 119 TYR HD1 H 1 7.04 0.006 . . . . . . 258 TYR HD# . 6763 1 1213 . 1 1 119 119 TYR HD2 H 1 7.04 0.006 . . . . . . 258 TYR HD# . 6763 1 1214 . 1 1 119 119 TYR HE1 H 1 6.75 0.005 . . . . . . 258 TYR HE# . 6763 1 1215 . 1 1 119 119 TYR HE2 H 1 6.75 0.005 . . . . . . 258 TYR HE# . 6763 1 1216 . 1 1 119 119 TYR C C 13 174.37 0.000 . . . . . . 258 TYR C . 6763 1 1217 . 1 1 119 119 TYR CA C 13 55.75 0.041 . . . . . . 258 TYR CA . 6763 1 1218 . 1 1 119 119 TYR CB C 13 41.06 0.048 . . . . . . 258 TYR CB . 6763 1 1219 . 1 1 119 119 TYR CD1 C 13 133.89 0.034 . . . . . . 258 TYR CD# . 6763 1 1220 . 1 1 119 119 TYR CD2 C 13 133.89 0.034 . . . . . . 258 TYR CD# . 6763 1 1221 . 1 1 119 119 TYR CE1 C 13 118.05 0.030 . . . . . . 258 TYR CE# . 6763 1 1222 . 1 1 119 119 TYR CE2 C 13 118.05 0.030 . . . . . . 258 TYR CE# . 6763 1 1223 . 1 1 119 119 TYR N N 15 117.12 0.044 . . . . . . 258 TYR N . 6763 1 1224 . 1 1 120 120 GLY H H 1 8.62 0.005 . . . . . . 259 GLY H . 6763 1 1225 . 1 1 120 120 GLY HA2 H 1 4.09 0.011 . . . . . . 259 GLY HA2 . 6763 1 1226 . 1 1 120 120 GLY HA3 H 1 3.59 0.006 . . . . . . 259 GLY HA3 . 6763 1 1227 . 1 1 120 120 GLY C C 13 175.09 0.000 . . . . . . 259 GLY C . 6763 1 1228 . 1 1 120 120 GLY CA C 13 43.30 0.053 . . . . . . 259 GLY CA . 6763 1 1229 . 1 1 120 120 GLY N N 15 105.80 0.102 . . . . . . 259 GLY N . 6763 1 1230 . 1 1 121 121 GLY H H 1 8.81 0.005 . . . . . . 260 GLY H . 6763 1 1231 . 1 1 121 121 GLY HA2 H 1 4.00 0.014 . . . . . . 260 GLY HA2 . 6763 1 1232 . 1 1 121 121 GLY HA3 H 1 3.44 0.015 . . . . . . 260 GLY HA3 . 6763 1 1233 . 1 1 121 121 GLY C C 13 173.91 0.000 . . . . . . 260 GLY C . 6763 1 1234 . 1 1 121 121 GLY CA C 13 45.78 0.059 . . . . . . 260 GLY CA . 6763 1 1235 . 1 1 121 121 GLY N N 15 109.32 0.051 . . . . . . 260 GLY N . 6763 1 1236 . 1 1 122 122 GLU H H 1 9.24 0.004 . . . . . . 261 GLU H . 6763 1 1237 . 1 1 122 122 GLU HB2 H 1 2.27 0.000 . . . . . . 261 GLU HB2 . 6763 1 1238 . 1 1 122 122 GLU HB3 H 1 2.17 0.000 . . . . . . 261 GLU HB3 . 6763 1 1239 . 1 1 122 122 GLU C C 13 177.61 0.000 . . . . . . 261 GLU C . 6763 1 1240 . 1 1 122 122 GLU CA C 13 56.32 0.000 . . . . . . 261 GLU CA . 6763 1 1241 . 1 1 122 122 GLU CB C 13 30.83 0.000 . . . . . . 261 GLU CB . 6763 1 1242 . 1 1 122 122 GLU N N 15 124.22 0.011 . . . . . . 261 GLU N . 6763 1 1243 . 1 1 123 123 ASN H H 1 8.14 0.006 . . . . . . 262 ASN H . 6763 1 1244 . 1 1 123 123 ASN HA H 1 4.50 0.020 . . . . . . 262 ASN HA . 6763 1 1245 . 1 1 123 123 ASN HB2 H 1 2.75 0.010 . . . . . . 262 ASN HB2 . 6763 1 1246 . 1 1 123 123 ASN HB3 H 1 2.58 0.015 . . . . . . 262 ASN HB3 . 6763 1 1247 . 1 1 123 123 ASN HD21 H 1 7.34 0.004 . . . . . . 262 ASN HD21 . 6763 1 1248 . 1 1 123 123 ASN HD22 H 1 6.86 0.002 . . . . . . 262 ASN HD22 . 6763 1 1249 . 1 1 123 123 ASN C C 13 178.32 0.000 . . . . . . 262 ASN C . 6763 1 1250 . 1 1 123 123 ASN CA C 13 56.26 0.086 . . . . . . 262 ASN CA . 6763 1 1251 . 1 1 123 123 ASN CB C 13 37.76 0.096 . . . . . . 262 ASN CB . 6763 1 1252 . 1 1 123 123 ASN N N 15 120.13 0.133 . . . . . . 262 ASN N . 6763 1 1253 . 1 1 123 123 ASN ND2 N 15 112.29 0.034 . . . . . . 262 ASN ND2 . 6763 1 1254 . 1 1 124 124 GLY H H 1 7.54 0.005 . . . . . . 263 GLY H . 6763 1 1255 . 1 1 124 124 GLY HA2 H 1 3.90 0.007 . . . . . . 263 GLY HA2 . 6763 1 1256 . 1 1 124 124 GLY HA3 H 1 3.78 0.024 . . . . . . 263 GLY HA3 . 6763 1 1257 . 1 1 124 124 GLY C C 13 174.89 0.000 . . . . . . 263 GLY C . 6763 1 1258 . 1 1 124 124 GLY CA C 13 48.12 0.082 . . . . . . 263 GLY CA . 6763 1 1259 . 1 1 124 124 GLY N N 15 110.75 0.141 . . . . . . 263 GLY N . 6763 1 1260 . 1 1 125 125 PHE H H 1 8.42 0.005 . . . . . . 264 PHE H . 6763 1 1261 . 1 1 125 125 PHE HA H 1 4.38 0.008 . . . . . . 264 PHE HA . 6763 1 1262 . 1 1 125 125 PHE HB2 H 1 3.44 0.009 . . . . . . 264 PHE HB2 . 6763 1 1263 . 1 1 125 125 PHE HB3 H 1 3.05 0.006 . . . . . . 264 PHE HB3 . 6763 1 1264 . 1 1 125 125 PHE HD1 H 1 6.82 0.005 . . . . . . 264 PHE HD# . 6763 1 1265 . 1 1 125 125 PHE HD2 H 1 6.82 0.005 . . . . . . 264 PHE HD# . 6763 1 1266 . 1 1 125 125 PHE HE1 H 1 6.58 0.007 . . . . . . 264 PHE HE# . 6763 1 1267 . 1 1 125 125 PHE HE2 H 1 6.58 0.007 . . . . . . 264 PHE HE# . 6763 1 1268 . 1 1 125 125 PHE HZ H 1 7.17 0.008 . . . . . . 264 PHE HZ . 6763 1 1269 . 1 1 125 125 PHE C C 13 175.98 0.000 . . . . . . 264 PHE C . 6763 1 1270 . 1 1 125 125 PHE CA C 13 57.57 0.059 . . . . . . 264 PHE CA . 6763 1 1271 . 1 1 125 125 PHE CB C 13 38.80 0.064 . . . . . . 264 PHE CB . 6763 1 1272 . 1 1 125 125 PHE CD1 C 13 130.29 0.035 . . . . . . 264 PHE CD# . 6763 1 1273 . 1 1 125 125 PHE CD2 C 13 130.29 0.035 . . . . . . 264 PHE CD# . 6763 1 1274 . 1 1 125 125 PHE CE1 C 13 102.93 39.355 . . . . . . 264 PHE CE# . 6763 1 1275 . 1 1 125 125 PHE CE2 C 13 102.93 39.355 . . . . . . 264 PHE CE# . 6763 1 1276 . 1 1 125 125 PHE CZ C 13 129.34 0.000 . . . . . . 264 PHE CZ . 6763 1 1277 . 1 1 125 125 PHE N N 15 122.55 0.061 . . . . . . 264 PHE N . 6763 1 1278 . 1 1 126 126 ASN H H 1 7.93 0.005 . . . . . . 265 ASN H . 6763 1 1279 . 1 1 126 126 ASN HA H 1 3.93 0.006 . . . . . . 265 ASN HA . 6763 1 1280 . 1 1 126 126 ASN HB2 H 1 2.77 0.005 . . . . . . 265 ASN HB# . 6763 1 1281 . 1 1 126 126 ASN HB3 H 1 2.77 0.005 . . . . . . 265 ASN HB# . 6763 1 1282 . 1 1 126 126 ASN HD21 H 1 7.63 0.003 . . . . . . 265 ASN HD21 . 6763 1 1283 . 1 1 126 126 ASN HD22 H 1 6.89 0.004 . . . . . . 265 ASN HD22 . 6763 1 1284 . 1 1 126 126 ASN C C 13 177.61 0.000 . . . . . . 265 ASN C . 6763 1 1285 . 1 1 126 126 ASN CA C 13 56.86 0.104 . . . . . . 265 ASN CA . 6763 1 1286 . 1 1 126 126 ASN CB C 13 38.21 0.018 . . . . . . 265 ASN CB . 6763 1 1287 . 1 1 126 126 ASN N N 15 115.84 0.146 . . . . . . 265 ASN N . 6763 1 1288 . 1 1 126 126 ASN ND2 N 15 113.27 0.022 . . . . . . 265 ASN ND2 . 6763 1 1289 . 1 1 127 127 GLN H H 1 8.14 0.003 . . . . . . 266 GLN H . 6763 1 1290 . 1 1 127 127 GLN HA H 1 4.06 0.009 . . . . . . 266 GLN HA . 6763 1 1291 . 1 1 127 127 GLN HB2 H 1 2.27 0.000 . . . . . . 266 GLN HB2 . 6763 1 1292 . 1 1 127 127 GLN HB3 H 1 2.17 0.000 . . . . . . 266 GLN HB3 . 6763 1 1293 . 1 1 127 127 GLN HG2 H 1 2.60 0.001 . . . . . . 266 GLN HG2 . 6763 1 1294 . 1 1 127 127 GLN HG3 H 1 2.33 0.002 . . . . . . 266 GLN HG3 . 6763 1 1295 . 1 1 127 127 GLN HE21 H 1 7.43 0.001 . . . . . . 266 GLN HE21 . 6763 1 1296 . 1 1 127 127 GLN HE22 H 1 6.65 0.001 . . . . . . 266 GLN HE22 . 6763 1 1297 . 1 1 127 127 GLN C C 13 177.40 0.000 . . . . . . 266 GLN C . 6763 1 1298 . 1 1 127 127 GLN CA C 13 59.19 0.057 . . . . . . 266 GLN CA . 6763 1 1299 . 1 1 127 127 GLN CB C 13 28.89 0.031 . . . . . . 266 GLN CB . 6763 1 1300 . 1 1 127 127 GLN N N 15 120.06 0.089 . . . . . . 266 GLN N . 6763 1 1301 . 1 1 127 127 GLN NE2 N 15 109.70 0.058 . . . . . . 266 GLN NE2 . 6763 1 1302 . 1 1 128 128 ALA H H 1 8.79 0.005 . . . . . . 267 ALA H . 6763 1 1303 . 1 1 128 128 ALA HA H 1 3.90 0.014 . . . . . . 267 ALA HA . 6763 1 1304 . 1 1 128 128 ALA HB1 H 1 1.50 0.004 . . . . . . 267 ALA HB# . 6763 1 1305 . 1 1 128 128 ALA HB2 H 1 1.50 0.004 . . . . . . 267 ALA HB# . 6763 1 1306 . 1 1 128 128 ALA HB3 H 1 1.50 0.004 . . . . . . 267 ALA HB# . 6763 1 1307 . 1 1 128 128 ALA C C 13 180.23 0.000 . . . . . . 267 ALA C . 6763 1 1308 . 1 1 128 128 ALA CA C 13 55.34 0.042 . . . . . . 267 ALA CA . 6763 1 1309 . 1 1 128 128 ALA CB C 13 18.49 0.007 . . . . . . 267 ALA CB . 6763 1 1310 . 1 1 128 128 ALA N N 15 120.24 0.126 . . . . . . 267 ALA N . 6763 1 1311 . 1 1 129 129 ILE H H 1 7.96 0.003 . . . . . . 268 ILE H . 6763 1 1312 . 1 1 129 129 ILE HA H 1 3.35 0.006 . . . . . . 268 ILE HA . 6763 1 1313 . 1 1 129 129 ILE HB H 1 1.52 0.009 . . . . . . 268 ILE HB . 6763 1 1314 . 1 1 129 129 ILE HG12 H 1 0.77 0.012 . . . . . . 268 ILE HG11 . 6763 1 1315 . 1 1 129 129 ILE HG13 H 1 -0.09 0.007 . . . . . . 268 ILE HG12 . 6763 1 1316 . 1 1 129 129 ILE HG21 H 1 0.57 0.014 . . . . . . 268 ILE HG2# . 6763 1 1317 . 1 1 129 129 ILE HG22 H 1 0.57 0.014 . . . . . . 268 ILE HG2# . 6763 1 1318 . 1 1 129 129 ILE HG23 H 1 0.57 0.014 . . . . . . 268 ILE HG2# . 6763 1 1319 . 1 1 129 129 ILE HD11 H 1 -0.34 0.006 . . . . . . 268 ILE HD1# . 6763 1 1320 . 1 1 129 129 ILE HD12 H 1 -0.34 0.006 . . . . . . 268 ILE HD1# . 6763 1 1321 . 1 1 129 129 ILE HD13 H 1 -0.34 0.006 . . . . . . 268 ILE HD1# . 6763 1 1322 . 1 1 129 129 ILE C C 13 178.74 0.000 . . . . . . 268 ILE C . 6763 1 1323 . 1 1 129 129 ILE CA C 13 66.00 0.037 . . . . . . 268 ILE CA . 6763 1 1324 . 1 1 129 129 ILE CB C 13 38.32 0.032 . . . . . . 268 ILE CB . 6763 1 1325 . 1 1 129 129 ILE CG1 C 13 28.91 0.056 . . . . . . 268 ILE CG1 . 6763 1 1326 . 1 1 129 129 ILE CG2 C 13 16.79 0.075 . . . . . . 268 ILE CG2 . 6763 1 1327 . 1 1 129 129 ILE CD1 C 13 13.01 0.026 . . . . . . 268 ILE CD1 . 6763 1 1328 . 1 1 129 129 ILE N N 15 119.85 0.055 . . . . . . 268 ILE N . 6763 1 1329 . 1 1 130 130 GLU H H 1 7.71 0.007 . . . . . . 269 GLU H . 6763 1 1330 . 1 1 130 130 GLU HA H 1 3.92 0.007 . . . . . . 269 GLU HA . 6763 1 1331 . 1 1 130 130 GLU HB2 H 1 2.20 0.012 . . . . . . 269 GLU HB2 . 6763 1 1332 . 1 1 130 130 GLU HB3 H 1 2.13 0.016 . . . . . . 269 GLU HB3 . 6763 1 1333 . 1 1 130 130 GLU C C 13 179.70 0.000 . . . . . . 269 GLU C . 6763 1 1334 . 1 1 130 130 GLU CA C 13 59.67 0.061 . . . . . . 269 GLU CA . 6763 1 1335 . 1 1 130 130 GLU CB C 13 29.34 0.006 . . . . . . 269 GLU CB . 6763 1 1336 . 1 1 130 130 GLU N N 15 120.15 0.067 . . . . . . 269 GLU N . 6763 1 1337 . 1 1 131 131 LEU H H 1 8.22 0.010 . . . . . . 270 LEU H . 6763 1 1338 . 1 1 131 131 LEU HA H 1 4.38 0.005 . . . . . . 270 LEU HA . 6763 1 1339 . 1 1 131 131 LEU HB2 H 1 1.77 0.008 . . . . . . 270 LEU HB2 . 6763 1 1340 . 1 1 131 131 LEU HB3 H 1 1.65 0.004 . . . . . . 270 LEU HB3 . 6763 1 1341 . 1 1 131 131 LEU HG H 1 1.94 0.004 . . . . . . 270 LEU HG . 6763 1 1342 . 1 1 131 131 LEU HD11 H 1 0.95 0.007 . . . . . . 270 LEU HD1# . 6763 1 1343 . 1 1 131 131 LEU HD12 H 1 0.95 0.007 . . . . . . 270 LEU HD1# . 6763 1 1344 . 1 1 131 131 LEU HD13 H 1 0.95 0.007 . . . . . . 270 LEU HD1# . 6763 1 1345 . 1 1 131 131 LEU HD21 H 1 0.90 0.009 . . . . . . 270 LEU HD2# . 6763 1 1346 . 1 1 131 131 LEU HD22 H 1 0.90 0.009 . . . . . . 270 LEU HD2# . 6763 1 1347 . 1 1 131 131 LEU HD23 H 1 0.90 0.009 . . . . . . 270 LEU HD2# . 6763 1 1348 . 1 1 131 131 LEU C C 13 178.11 0.000 . . . . . . 270 LEU C . 6763 1 1349 . 1 1 131 131 LEU CA C 13 56.09 0.031 . . . . . . 270 LEU CA . 6763 1 1350 . 1 1 131 131 LEU CB C 13 42.63 0.408 . . . . . . 270 LEU CB . 6763 1 1351 . 1 1 131 131 LEU CG C 13 26.91 0.000 . . . . . . 270 LEU CG . 6763 1 1352 . 1 1 131 131 LEU N N 15 116.15 0.060 . . . . . . 270 LEU N . 6763 1 1353 . 1 1 132 132 SER H H 1 7.73 0.012 . . . . . . 271 SER H . 6763 1 1354 . 1 1 132 132 SER HA H 1 4.60 0.007 . . . . . . 271 SER HA . 6763 1 1355 . 1 1 132 132 SER HB2 H 1 3.89 0.010 . . . . . . 271 SER HB2 . 6763 1 1356 . 1 1 132 132 SER HB3 H 1 3.66 0.008 . . . . . . 271 SER HB3 . 6763 1 1357 . 1 1 132 132 SER C C 13 174.30 0.000 . . . . . . 271 SER C . 6763 1 1358 . 1 1 132 132 SER CA C 13 59.01 0.086 . . . . . . 271 SER CA . 6763 1 1359 . 1 1 132 132 SER CB C 13 64.19 0.049 . . . . . . 271 SER CB . 6763 1 1360 . 1 1 132 132 SER N N 15 112.53 0.050 . . . . . . 271 SER N . 6763 1 1361 . 1 1 133 133 THR H H 1 7.43 0.005 . . . . . . 272 THR H . 6763 1 1362 . 1 1 133 133 THR HA H 1 3.77 0.004 . . . . . . 272 THR HA . 6763 1 1363 . 1 1 133 133 THR HB H 1 4.14 0.007 . . . . . . 272 THR HB . 6763 1 1364 . 1 1 133 133 THR HG21 H 1 1.25 0.009 . . . . . . 272 THR HG2# . 6763 1 1365 . 1 1 133 133 THR HG22 H 1 1.25 0.009 . . . . . . 272 THR HG2# . 6763 1 1366 . 1 1 133 133 THR HG23 H 1 1.25 0.009 . . . . . . 272 THR HG2# . 6763 1 1367 . 1 1 133 133 THR C C 13 175.42 0.000 . . . . . . 272 THR C . 6763 1 1368 . 1 1 133 133 THR CA C 13 66.78 0.094 . . . . . . 272 THR CA . 6763 1 1369 . 1 1 133 133 THR CB C 13 69.12 0.045 . . . . . . 272 THR CB . 6763 1 1370 . 1 1 133 133 THR CG2 C 13 20.92 0.000 . . . . . . 272 THR CG2 . 6763 1 1371 . 1 1 133 133 THR N N 15 116.34 0.169 . . . . . . 272 THR N . 6763 1 1372 . 1 1 134 134 GLU H H 1 8.80 0.011 . . . . . . 273 GLU H . 6763 1 1373 . 1 1 134 134 GLU HA H 1 4.13 0.014 . . . . . . 273 GLU HA . 6763 1 1374 . 1 1 134 134 GLU HB2 H 1 2.03 0.008 . . . . . . 273 GLU HB# . 6763 1 1375 . 1 1 134 134 GLU HB3 H 1 2.03 0.008 . . . . . . 273 GLU HB# . 6763 1 1376 . 1 1 134 134 GLU C C 13 178.49 0.000 . . . . . . 273 GLU C . 6763 1 1377 . 1 1 134 134 GLU CA C 13 59.60 0.071 . . . . . . 273 GLU CA . 6763 1 1378 . 1 1 134 134 GLU CB C 13 28.99 0.057 . . . . . . 273 GLU CB . 6763 1 1379 . 1 1 134 134 GLU N N 15 119.74 0.045 . . . . . . 273 GLU N . 6763 1 1380 . 1 1 135 135 VAL H H 1 7.55 0.005 . . . . . . 274 VAL H . 6763 1 1381 . 1 1 135 135 VAL HA H 1 4.09 0.005 . . . . . . 274 VAL HA . 6763 1 1382 . 1 1 135 135 VAL HB H 1 2.13 0.008 . . . . . . 274 VAL HB . 6763 1 1383 . 1 1 135 135 VAL HG11 H 1 0.91 0.008 . . . . . . 274 VAL HG1# . 6763 1 1384 . 1 1 135 135 VAL HG12 H 1 0.91 0.008 . . . . . . 274 VAL HG1# . 6763 1 1385 . 1 1 135 135 VAL HG13 H 1 0.91 0.008 . . . . . . 274 VAL HG1# . 6763 1 1386 . 1 1 135 135 VAL HG21 H 1 0.86 0.005 . . . . . . 274 VAL HG2# . 6763 1 1387 . 1 1 135 135 VAL HG22 H 1 0.86 0.005 . . . . . . 274 VAL HG2# . 6763 1 1388 . 1 1 135 135 VAL HG23 H 1 0.86 0.005 . . . . . . 274 VAL HG2# . 6763 1 1389 . 1 1 135 135 VAL C C 13 177.19 0.000 . . . . . . 274 VAL C . 6763 1 1390 . 1 1 135 135 VAL CA C 13 63.81 0.149 . . . . . . 274 VAL CA . 6763 1 1391 . 1 1 135 135 VAL CB C 13 31.72 0.023 . . . . . . 274 VAL CB . 6763 1 1392 . 1 1 135 135 VAL N N 15 115.91 0.086 . . . . . . 274 VAL N . 6763 1 1393 . 1 1 136 136 LEU H H 1 7.47 0.012 . . . . . . 275 LEU H . 6763 1 1394 . 1 1 136 136 LEU HA H 1 3.64 0.018 . . . . . . 275 LEU HA . 6763 1 1395 . 1 1 136 136 LEU HB2 H 1 1.51 0.007 . . . . . . 275 LEU HB2 . 6763 1 1396 . 1 1 136 136 LEU HB3 H 1 1.04 0.011 . . . . . . 275 LEU HB3 . 6763 1 1397 . 1 1 136 136 LEU HG H 1 1.28 0.011 . . . . . . 275 LEU HG . 6763 1 1398 . 1 1 136 136 LEU HD11 H 1 0.58 0.010 . . . . . . 275 LEU HD1# . 6763 1 1399 . 1 1 136 136 LEU HD12 H 1 0.58 0.010 . . . . . . 275 LEU HD1# . 6763 1 1400 . 1 1 136 136 LEU HD13 H 1 0.58 0.010 . . . . . . 275 LEU HD1# . 6763 1 1401 . 1 1 136 136 LEU HD21 H 1 -0.10 0.017 . . . . . . 275 LEU HD2# . 6763 1 1402 . 1 1 136 136 LEU HD22 H 1 -0.10 0.017 . . . . . . 275 LEU HD2# . 6763 1 1403 . 1 1 136 136 LEU HD23 H 1 -0.10 0.017 . . . . . . 275 LEU HD2# . 6763 1 1404 . 1 1 136 136 LEU C C 13 178.57 0.000 . . . . . . 275 LEU C . 6763 1 1405 . 1 1 136 136 LEU CA C 13 56.64 0.143 . . . . . . 275 LEU CA . 6763 1 1406 . 1 1 136 136 LEU CB C 13 40.19 0.071 . . . . . . 275 LEU CB . 6763 1 1407 . 1 1 136 136 LEU CG C 13 26.37 0.027 . . . . . . 275 LEU CG . 6763 1 1408 . 1 1 136 136 LEU CD1 C 13 25.22 0.029 . . . . . . 275 LEU CD1 . 6763 1 1409 . 1 1 136 136 LEU CD2 C 13 21.40 0.051 . . . . . . 275 LEU CD2 . 6763 1 1410 . 1 1 136 136 LEU N N 15 119.75 0.098 . . . . . . 275 LEU N . 6763 1 stop_ save_