data_6936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6936 _Entry.Title ; Resonance assignments for the pKM101 homologue of VirB7 (TraN) in complex with the pKM101 homologue of VirB9 (TraO) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-13 _Entry.Accession_date 2005-01-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Richard Harris . . . 6936 2 Richard Bayliss . . . 6936 3 Gabriel Waksman . . . 6936 4 Paul Driscoll . C. . 6936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 634 6936 '15N chemical shifts' 151 6936 '1H chemical shifts' 1016 6936 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 . . 2007-02-08 2006-01-13 update BMRB 'complete entry citation' 6936 1 . . 2006-04-14 2006-01-13 original author 'original release' 6936 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6936 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16601857 _Citation.Full_citation . _Citation.Title ; Resonance Assignments of the Complex between TraN and the C-terminal Domain of TraO from the Conjugative Plasmid pKM101 ; _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 31 _Citation.Page_last 31 _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 Richard Harris . . . 6936 1 2 Richard Bayliss . . . 6936 1 3 Gabriel Waksman . . . 6936 1 4 Paul Driscoll . C. . 6936 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6936 _Assembly.ID 1 _Assembly.Name VirB7/VirB9 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 17832 _Assembly.Enzyme_commission_number . _Assembly.Details ; Complex between the homologues from pKM101 of VirB7 (TraN) and the C-terminal domain of VirB9 (TraO) ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 6936 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 VirB7 1 $VirB7 . . yes native no no . . . 6936 1 2 VirB9 2 $VirB9 . . yes native no no . . . 6936 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 6936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VirB7 _Entity.Sf_category entity _Entity.Sf_framecode VirB7 _Entity.Entry_ID 6936 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VirB7 _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 ; GAMASGHKPPPEPDWSNTVP VNKTIPVDTQGGRNES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; GAMA is part of the tag and no chemical shifts for the tag residues are reported. First VirB7 amino acid is S5 which in the proper sequence is residue number 17 as given in the chemical shift list. ; _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 36 _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 3772 _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 PDB 2OFQ . "Nmr Solution Structure Of A Complex Between The Virb9VIRB7 Interaction Domains Of The Pkm101 Type Iv Secretion System" . . . . . 75.40 95 100.00 100.00 1.40e-62 . . . . 6936 1 2 no PDB 3ZBI . "Fitting Result In The O-layer Of The Subnanometer Structure Of The Bacterial Pkm101 Type Iv Secretion System Core Complex Diges" . . . . . 92.86 130 97.44 97.44 5.71e-77 . . . . 6936 1 3 no DBJ BAF38206 . "TraO [Photobacterium damselae subsp. piscicida]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 4 no DBJ BAF93109 . "TraO protein [Salmonella enterica subsp. enterica serovar Dublin]" . . . . . 96.03 294 98.35 98.35 9.70e-80 . . . . 6936 1 5 no DBJ BAM29017 . "TraO [Klebsiella pneumoniae]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 6 no EMBL CCA62524 . "conjugal transfer protein [Escherichia coli]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 7 no EMBL CCE73953 . "TraO protein [Escherichia coli]" . . . . . 96.03 294 98.35 98.35 9.70e-80 . . . . 6936 1 8 no EMBL CCN79904 . "conjugal transfer protein TraO [Escherichia coli]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 9 no EMBL CDF32038 . "Conjugal transfer protein TraO [Klebsiella pneumoniae]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 10 no EMBL CDK67343 . "Forms the bulk of type IV secretion complex that spans outer membrane and periplasm (VirB9) [Klebsiella pneumoniae IS10]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 11 no GB AAA86458 . "traO [Escherichia coli]" . . . . . 96.03 294 97.52 97.52 5.69e-79 . . . . 6936 1 12 no GB AAL13392 . "TraO [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 96.03 294 97.52 97.52 5.69e-79 . . . . 6936 1 13 no GB ABG33818 . "TraO [Escherichia coli]" . . . . . 96.03 294 98.35 98.35 9.70e-80 . . . . 6936 1 14 no GB ABG49204 . "hypothetical protein [Escherichia coli]" . . . . . 96.03 294 98.35 98.35 9.70e-80 . . . . 6936 1 15 no GB ABO42055 . "type IV conjugative transfer system protein [Yersinia pestis biovar Orientalis str. IP275]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 16 no REF NP_511196 . "TraO [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 96.03 294 97.52 97.52 5.69e-79 . . . . 6936 1 17 no REF WP_000735066 . "MULTISPECIES: conjugal transfer protein TraO [Gammaproteobacteria]" . . . . . 96.03 294 98.35 98.35 7.98e-80 . . . . 6936 1 18 no REF WP_000735067 . "MULTISPECIES: conjugal transfer protein TraO [Enterobacteriaceae]" . . . . . 96.03 294 98.35 98.35 9.70e-80 . . . . 6936 1 19 no REF WP_010999963 . "MULTISPECIES: TraO [Enterobacteriaceae]" . . . . . 96.03 294 97.52 97.52 5.69e-79 . . . . 6936 1 20 no REF WP_013279390 . "type IV conjugative transfer system protein [Escherichia coli]" . . . . . 96.03 306 98.35 98.35 1.10e-79 . . . . 6936 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 13 GLY . 6936 1 2 14 ALA . 6936 1 3 15 MET . 6936 1 4 16 ALA . 6936 1 5 17 SER . 6936 1 6 18 GLY . 6936 1 7 19 HIS . 6936 1 8 20 LYS . 6936 1 9 21 PRO . 6936 1 10 22 PRO . 6936 1 11 23 PRO . 6936 1 12 24 GLU . 6936 1 13 25 PRO . 6936 1 14 26 ASP . 6936 1 15 27 TRP . 6936 1 16 28 SER . 6936 1 17 29 ASN . 6936 1 18 30 THR . 6936 1 19 31 VAL . 6936 1 20 32 PRO . 6936 1 21 33 VAL . 6936 1 22 34 ASN . 6936 1 23 35 LYS . 6936 1 24 36 THR . 6936 1 25 37 ILE . 6936 1 26 38 PRO . 6936 1 27 39 VAL . 6936 1 28 40 ASP . 6936 1 29 41 THR . 6936 1 30 42 GLN . 6936 1 31 43 GLY . 6936 1 32 44 GLY . 6936 1 33 45 ARG . 6936 1 34 46 ASN . 6936 1 35 47 GLU . 6936 1 36 48 SER . 6936 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6936 1 . ALA 2 2 6936 1 . MET 3 3 6936 1 . ALA 4 4 6936 1 . SER 5 5 6936 1 . GLY 6 6 6936 1 . HIS 7 7 6936 1 . LYS 8 8 6936 1 . PRO 9 9 6936 1 . PRO 10 10 6936 1 . PRO 11 11 6936 1 . GLU 12 12 6936 1 . PRO 13 13 6936 1 . ASP 14 14 6936 1 . TRP 15 15 6936 1 . SER 16 16 6936 1 . ASN 17 17 6936 1 . THR 18 18 6936 1 . VAL 19 19 6936 1 . PRO 20 20 6936 1 . VAL 21 21 6936 1 . ASN 22 22 6936 1 . LYS 23 23 6936 1 . THR 24 24 6936 1 . ILE 25 25 6936 1 . PRO 26 26 6936 1 . VAL 27 27 6936 1 . ASP 28 28 6936 1 . THR 29 29 6936 1 . GLN 30 30 6936 1 . GLY 31 31 6936 1 . GLY 32 32 6936 1 . ARG 33 33 6936 1 . ASN 34 34 6936 1 . GLU 35 35 6936 1 . SER 36 36 6936 1 stop_ save_ save_VirB9 _Entity.Sf_category entity _Entity.Sf_framecode VirB9 _Entity.Entry_ID 6936 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name VirB9 _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 ; GIDPFTHMAGAKNYQYVMSE QPEMRSIQPVHVWDNYRFTR FEFPANAELPQVYMISASGK ETLPNSHVVGENRNIIEVET VAKEWRIRLGDKVVGVRNNN FAPGAGAVATGTASPDVRRV QIGEDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; GIDPFTHM is part of the tag and no chemical shifts for the tag residues are reported. First VirB9 amino acid is A9 which in the proper sequence is residue number 177 as given in the chemical shift list. ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14060 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 169 GLY . 6936 2 2 170 ILE . 6936 2 3 171 ASP . 6936 2 4 172 PRO . 6936 2 5 173 PHE . 6936 2 6 174 THR . 6936 2 7 175 HIS . 6936 2 8 176 MET . 6936 2 9 177 ALA . 6936 2 10 178 GLY . 6936 2 11 179 ALA . 6936 2 12 180 LYS . 6936 2 13 181 ASN . 6936 2 14 182 TYR . 6936 2 15 183 GLN . 6936 2 16 184 TYR . 6936 2 17 185 VAL . 6936 2 18 186 MET . 6936 2 19 187 SER . 6936 2 20 188 GLU . 6936 2 21 189 GLN . 6936 2 22 190 PRO . 6936 2 23 191 GLU . 6936 2 24 192 MET . 6936 2 25 193 ARG . 6936 2 26 194 SER . 6936 2 27 195 ILE . 6936 2 28 196 GLN . 6936 2 29 197 PRO . 6936 2 30 198 VAL . 6936 2 31 199 HIS . 6936 2 32 200 VAL . 6936 2 33 201 TRP . 6936 2 34 202 ASP . 6936 2 35 203 ASN . 6936 2 36 204 TYR . 6936 2 37 205 ARG . 6936 2 38 206 PHE . 6936 2 39 207 THR . 6936 2 40 208 ARG . 6936 2 41 209 PHE . 6936 2 42 210 GLU . 6936 2 43 211 PHE . 6936 2 44 212 PRO . 6936 2 45 213 ALA . 6936 2 46 214 ASN . 6936 2 47 215 ALA . 6936 2 48 216 GLU . 6936 2 49 217 LEU . 6936 2 50 218 PRO . 6936 2 51 219 GLN . 6936 2 52 220 VAL . 6936 2 53 221 TYR . 6936 2 54 222 MET . 6936 2 55 223 ILE . 6936 2 56 224 SER . 6936 2 57 225 ALA . 6936 2 58 226 SER . 6936 2 59 227 GLY . 6936 2 60 228 LYS . 6936 2 61 229 GLU . 6936 2 62 230 THR . 6936 2 63 231 LEU . 6936 2 64 232 PRO . 6936 2 65 233 ASN . 6936 2 66 234 SER . 6936 2 67 235 HIS . 6936 2 68 236 VAL . 6936 2 69 237 VAL . 6936 2 70 238 GLY . 6936 2 71 239 GLU . 6936 2 72 240 ASN . 6936 2 73 241 ARG . 6936 2 74 242 ASN . 6936 2 75 243 ILE . 6936 2 76 244 ILE . 6936 2 77 245 GLU . 6936 2 78 246 VAL . 6936 2 79 247 GLU . 6936 2 80 248 THR . 6936 2 81 249 VAL . 6936 2 82 250 ALA . 6936 2 83 251 LYS . 6936 2 84 252 GLU . 6936 2 85 253 TRP . 6936 2 86 254 ARG . 6936 2 87 255 ILE . 6936 2 88 256 ARG . 6936 2 89 257 LEU . 6936 2 90 258 GLY . 6936 2 91 259 ASP . 6936 2 92 260 LYS . 6936 2 93 261 VAL . 6936 2 94 262 VAL . 6936 2 95 263 GLY . 6936 2 96 264 VAL . 6936 2 97 265 ARG . 6936 2 98 266 ASN . 6936 2 99 267 ASN . 6936 2 100 268 ASN . 6936 2 101 269 PHE . 6936 2 102 270 ALA . 6936 2 103 271 PRO . 6936 2 104 272 GLY . 6936 2 105 273 ALA . 6936 2 106 274 GLY . 6936 2 107 275 ALA . 6936 2 108 276 VAL . 6936 2 109 277 ALA . 6936 2 110 278 THR . 6936 2 111 279 GLY . 6936 2 112 280 THR . 6936 2 113 281 ALA . 6936 2 114 282 SER . 6936 2 115 283 PRO . 6936 2 116 284 ASP . 6936 2 117 285 VAL . 6936 2 118 286 ARG . 6936 2 119 287 ARG . 6936 2 120 288 VAL . 6936 2 121 289 GLN . 6936 2 122 290 ILE . 6936 2 123 291 GLY . 6936 2 124 292 GLU . 6936 2 125 293 ASP . 6936 2 126 294 ASN . 6936 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6936 2 . ILE 2 2 6936 2 . ASP 3 3 6936 2 . PRO 4 4 6936 2 . PHE 5 5 6936 2 . THR 6 6 6936 2 . HIS 7 7 6936 2 . MET 8 8 6936 2 . ALA 9 9 6936 2 . GLY 10 10 6936 2 . ALA 11 11 6936 2 . LYS 12 12 6936 2 . ASN 13 13 6936 2 . TYR 14 14 6936 2 . GLN 15 15 6936 2 . TYR 16 16 6936 2 . VAL 17 17 6936 2 . MET 18 18 6936 2 . SER 19 19 6936 2 . GLU 20 20 6936 2 . GLN 21 21 6936 2 . PRO 22 22 6936 2 . GLU 23 23 6936 2 . MET 24 24 6936 2 . ARG 25 25 6936 2 . SER 26 26 6936 2 . ILE 27 27 6936 2 . GLN 28 28 6936 2 . PRO 29 29 6936 2 . VAL 30 30 6936 2 . HIS 31 31 6936 2 . VAL 32 32 6936 2 . TRP 33 33 6936 2 . ASP 34 34 6936 2 . ASN 35 35 6936 2 . TYR 36 36 6936 2 . ARG 37 37 6936 2 . PHE 38 38 6936 2 . THR 39 39 6936 2 . ARG 40 40 6936 2 . PHE 41 41 6936 2 . GLU 42 42 6936 2 . PHE 43 43 6936 2 . PRO 44 44 6936 2 . ALA 45 45 6936 2 . ASN 46 46 6936 2 . ALA 47 47 6936 2 . GLU 48 48 6936 2 . LEU 49 49 6936 2 . PRO 50 50 6936 2 . GLN 51 51 6936 2 . VAL 52 52 6936 2 . TYR 53 53 6936 2 . MET 54 54 6936 2 . ILE 55 55 6936 2 . SER 56 56 6936 2 . ALA 57 57 6936 2 . SER 58 58 6936 2 . GLY 59 59 6936 2 . LYS 60 60 6936 2 . GLU 61 61 6936 2 . THR 62 62 6936 2 . LEU 63 63 6936 2 . PRO 64 64 6936 2 . ASN 65 65 6936 2 . SER 66 66 6936 2 . HIS 67 67 6936 2 . VAL 68 68 6936 2 . VAL 69 69 6936 2 . GLY 70 70 6936 2 . GLU 71 71 6936 2 . ASN 72 72 6936 2 . ARG 73 73 6936 2 . ASN 74 74 6936 2 . ILE 75 75 6936 2 . ILE 76 76 6936 2 . GLU 77 77 6936 2 . VAL 78 78 6936 2 . GLU 79 79 6936 2 . THR 80 80 6936 2 . VAL 81 81 6936 2 . ALA 82 82 6936 2 . LYS 83 83 6936 2 . GLU 84 84 6936 2 . TRP 85 85 6936 2 . ARG 86 86 6936 2 . ILE 87 87 6936 2 . ARG 88 88 6936 2 . LEU 89 89 6936 2 . GLY 90 90 6936 2 . ASP 91 91 6936 2 . LYS 92 92 6936 2 . VAL 93 93 6936 2 . VAL 94 94 6936 2 . GLY 95 95 6936 2 . VAL 96 96 6936 2 . ARG 97 97 6936 2 . ASN 98 98 6936 2 . ASN 99 99 6936 2 . ASN 100 100 6936 2 . PHE 101 101 6936 2 . ALA 102 102 6936 2 . PRO 103 103 6936 2 . GLY 104 104 6936 2 . ALA 105 105 6936 2 . GLY 106 106 6936 2 . ALA 107 107 6936 2 . VAL 108 108 6936 2 . ALA 109 109 6936 2 . THR 110 110 6936 2 . GLY 111 111 6936 2 . THR 112 112 6936 2 . ALA 113 113 6936 2 . SER 114 114 6936 2 . PRO 115 115 6936 2 . ASP 116 116 6936 2 . VAL 117 117 6936 2 . ARG 118 118 6936 2 . ARG 119 119 6936 2 . VAL 120 120 6936 2 . GLN 121 121 6936 2 . ILE 122 122 6936 2 . GLY 123 123 6936 2 . GLU 124 124 6936 2 . ASP 125 125 6936 2 . ASN 126 126 6936 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6936 _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 $VirB7 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6936 1 2 2 $VirB9 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6936 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 6936 _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 $VirB7 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 6936 1 2 2 $VirB9 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 6936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6936 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' _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 VirB7 [U-15N] . . 1 $VirB7 . . 1 . . mM . . . . 6936 1 2 VirB9 . . . 2 $VirB9 . . 1 . . mM . . . . 6936 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6936 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' _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 VirB7 '[U-13C; U-15N]' . . 1 $VirB7 . . 1 . . mM . . . . 6936 2 2 VirB9 . . . 2 $VirB9 . . 1 . . mM . . . . 6936 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6936 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' _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 VirB7 . . . 1 $VirB7 . . 1 . . mM . . . . 6936 3 2 VirB9 [U-15N] . . 2 $VirB9 . . 1 . . mM . . . . 6936 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6936 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' _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 VirB7 . . . 1 $VirB7 . . 1 . . mM . . . . 6936 4 2 VirB9 '[U-13C; U-15N]' . . 2 $VirB9 . . 1 . . mM . . . . 6936 4 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 6936 _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 6.7 0.1 pH 6936 1 temperature 298 . K 6936 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6936 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6936 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6936 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6936 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H 15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 2 '1H 13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 3 '1H 13C CT-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 4 '1H 15N TOCSY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 5 '1H 15N NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 6 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 7 HN(CA)CO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 8 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 9 HN(CO)CA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 10 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 11 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 12 HA(CA)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 13 HA(CACO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 14 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 15 HCCH-COSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 1 16 '1H 13C NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6936 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 6936 _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 . . . . . . . . . 6936 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6936 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6936 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 6936 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6936 1 . . 3 $sample_3 isotropic 6936 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 5 5 SER H H 1 8.322 0.02 . 1 . . . . 17 SER HN . 6936 1 2 . 1 1 5 5 SER HA H 1 4.375 0.02 . 1 . . . . 17 SER HA . 6936 1 3 . 1 1 5 5 SER HB2 H 1 3.826 0.02 . 1 . . . . 17 SER HB# . 6936 1 4 . 1 1 5 5 SER HB3 H 1 3.826 0.02 . 1 . . . . 17 SER HB# . 6936 1 5 . 1 1 5 5 SER C C 13 175.149 0.4 . 1 . . . . 17 SER CO . 6936 1 6 . 1 1 5 5 SER CA C 13 58.437 0.4 . 1 . . . . 17 SER CA . 6936 1 7 . 1 1 5 5 SER CB C 13 63.731 0.4 . 1 . . . . 17 SER CB . 6936 1 8 . 1 1 5 5 SER N N 15 115.316 0.1 . 1 . . . . 17 SER N . 6936 1 9 . 1 1 6 6 GLY H H 1 8.384 0.02 . 1 . . . . 18 GLY HN . 6936 1 10 . 1 1 6 6 GLY HA2 H 1 3.91 0.02 . 1 . . . . 18 GLY HA# . 6936 1 11 . 1 1 6 6 GLY HA3 H 1 3.91 0.02 . 1 . . . . 18 GLY HA# . 6936 1 12 . 1 1 6 6 GLY C C 13 173.801 0.4 . 1 . . . . 18 GLY CO . 6936 1 13 . 1 1 6 6 GLY CA C 13 45.242 0.4 . 1 . . . . 18 GLY CA . 6936 1 14 . 1 1 6 6 GLY N N 15 110.65 0.1 . 1 . . . . 18 GLY N . 6936 1 15 . 1 1 7 7 HIS H H 1 8.161 0.02 . 1 . . . . 19 HIS HN . 6936 1 16 . 1 1 7 7 HIS HA H 1 4.552 0.02 . 1 . . . . 19 HIS HA . 6936 1 17 . 1 1 7 7 HIS HB2 H 1 3.018 0.02 . 1 . . . . 19 HIS HB# . 6936 1 18 . 1 1 7 7 HIS HB3 H 1 3.018 0.02 . 1 . . . . 19 HIS HB# . 6936 1 19 . 1 1 7 7 HIS HD2 H 1 6.983 0.02 . 1 . . . . 19 HIS HD2 . 6936 1 20 . 1 1 7 7 HIS HE1 H 1 7.944 0.02 . 1 . . . . 19 HIS HE1 . 6936 1 21 . 1 1 7 7 HIS C C 13 174.828 0.4 . 1 . . . . 19 HIS CO . 6936 1 22 . 1 1 7 7 HIS CA C 13 56.154 0.4 . 1 . . . . 19 HIS CA . 6936 1 23 . 1 1 7 7 HIS CB C 13 30.991 0.4 . 1 . . . . 19 HIS CB . 6936 1 24 . 1 1 7 7 HIS CD2 C 13 120.194 0.4 . 1 . . . . 19 HIS CD2 . 6936 1 25 . 1 1 7 7 HIS CE1 C 13 138.202 0.4 . 1 . . . . 19 HIS CE1 . 6936 1 26 . 1 1 7 7 HIS N N 15 119.434 0.1 . 1 . . . . 19 HIS N . 6936 1 27 . 1 1 8 8 LYS H H 1 8.241 0.02 . 1 . . . . 20 LYS HN . 6936 1 28 . 1 1 8 8 LYS HA H 1 4.551 0.02 . 1 . . . . 20 LYS HA . 6936 1 29 . 1 1 8 8 LYS HB2 H 1 1.614 0.02 . 2 . . . . 20 LYS HB1 . 6936 1 30 . 1 1 8 8 LYS HB3 H 1 1.722 0.02 . 2 . . . . 20 LYS HB2 . 6936 1 31 . 1 1 8 8 LYS HG2 H 1 1.351 0.02 . 1 . . . . 20 LYS HG# . 6936 1 32 . 1 1 8 8 LYS HG3 H 1 1.351 0.02 . 1 . . . . 20 LYS HG# . 6936 1 33 . 1 1 8 8 LYS HD2 H 1 1.626 0.02 . 1 . . . . 20 LYS HD# . 6936 1 34 . 1 1 8 8 LYS HD3 H 1 1.626 0.02 . 1 . . . . 20 LYS HD# . 6936 1 35 . 1 1 8 8 LYS HE2 H 1 2.932 0.02 . 1 . . . . 20 LYS HE# . 6936 1 36 . 1 1 8 8 LYS HE3 H 1 2.932 0.02 . 1 . . . . 20 LYS HE# . 6936 1 37 . 1 1 8 8 LYS C C 13 173.713 0.4 . 1 . . . . 20 LYS CO . 6936 1 38 . 1 1 8 8 LYS CA C 13 53.952 0.4 . 1 . . . . 20 LYS CA . 6936 1 39 . 1 1 8 8 LYS CB C 13 32.751 0.4 . 1 . . . . 20 LYS CB . 6936 1 40 . 1 1 8 8 LYS CG C 13 24.434 0.4 . 1 . . . . 20 LYS CG . 6936 1 41 . 1 1 8 8 LYS CD C 13 29.145 0.4 . 1 . . . . 20 LYS CD . 6936 1 42 . 1 1 8 8 LYS CE C 13 41.902 0.4 . 1 . . . . 20 LYS CE . 6936 1 43 . 1 1 8 8 LYS N N 15 124.853 0.1 . 1 . . . . 20 LYS N . 6936 1 44 . 1 1 9 9 PRO HB2 H 1 1.832 0.02 . 2 . . . . 21 PRO HB1 . 6936 1 45 . 1 1 9 9 PRO HB3 H 1 2.28 0.02 . 2 . . . . 21 PRO HB2 . 6936 1 46 . 1 1 9 9 PRO HG2 H 1 1.975 0.02 . 1 . . . . 21 PRO HG# . 6936 1 47 . 1 1 9 9 PRO HG3 H 1 1.975 0.02 . 1 . . . . 21 PRO HG# . 6936 1 48 . 1 1 9 9 PRO HD2 H 1 3.554 0.02 . 2 . . . . 21 PRO HD1 . 6936 1 49 . 1 1 9 9 PRO HD3 H 1 3.722 0.02 . 2 . . . . 21 PRO HD2 . 6936 1 50 . 1 1 9 9 PRO CB C 13 30.717 0.4 . 1 . . . . 21 PRO CB . 6936 1 51 . 1 1 9 9 PRO CG C 13 27.367 0.4 . 1 . . . . 21 PRO CG . 6936 1 52 . 1 1 9 9 PRO CD C 13 50.591 0.4 . 1 . . . . 21 PRO CD . 6936 1 53 . 1 1 10 10 PRO HB2 H 1 1.676 0.02 . 2 . . . . 22 PRO HB1 . 6936 1 54 . 1 1 10 10 PRO HB3 H 1 2.142 0.02 . 2 . . . . 22 PRO HB2 . 6936 1 55 . 1 1 10 10 PRO HG2 H 1 1.848 0.02 . 1 . . . . 22 PRO HG# . 6936 1 56 . 1 1 10 10 PRO HG3 H 1 1.848 0.02 . 1 . . . . 22 PRO HG# . 6936 1 57 . 1 1 10 10 PRO HD2 H 1 3.498 0.02 . 2 . . . . 22 PRO HD1 . 6936 1 58 . 1 1 10 10 PRO HD3 H 1 3.741 0.02 . 2 . . . . 22 PRO HD2 . 6936 1 59 . 1 1 10 10 PRO CB C 13 30.387 0.4 . 1 . . . . 22 PRO CB . 6936 1 60 . 1 1 10 10 PRO CG C 13 27.422 0.4 . 1 . . . . 22 PRO CG . 6936 1 61 . 1 1 10 10 PRO CD C 13 50.408 0.4 . 1 . . . . 22 PRO CD . 6936 1 62 . 1 1 11 11 PRO HA H 1 4.366 0.02 . 1 . . . . 23 PRO HA . 6936 1 63 . 1 1 11 11 PRO HB2 H 1 1.615 0.02 . 2 . . . . 23 PRO HB1 . 6936 1 64 . 1 1 11 11 PRO HB3 H 1 2.218 0.02 . 2 . . . . 23 PRO HB2 . 6936 1 65 . 1 1 11 11 PRO HG2 H 1 1.725 0.02 . 2 . . . . 23 PRO HG1 . 6936 1 66 . 1 1 11 11 PRO HG3 H 1 1.982 0.02 . 2 . . . . 23 PRO HG2 . 6936 1 67 . 1 1 11 11 PRO HD2 H 1 3.501 0.02 . 2 . . . . 23 PRO HD1 . 6936 1 68 . 1 1 11 11 PRO HD3 H 1 3.72 0.02 . 2 . . . . 23 PRO HD2 . 6936 1 69 . 1 1 11 11 PRO C C 13 176.526 0.4 . 1 . . . . 23 PRO CO . 6936 1 70 . 1 1 11 11 PRO CA C 13 62.798 0.4 . 1 . . . . 23 PRO CA . 6936 1 71 . 1 1 11 11 PRO CB C 13 32.285 0.4 . 1 . . . . 23 PRO CB . 6936 1 72 . 1 1 11 11 PRO CG C 13 27.44 0.4 . 1 . . . . 23 PRO CG . 6936 1 73 . 1 1 11 11 PRO CD C 13 50.487 0.4 . 1 . . . . 23 PRO CD . 6936 1 74 . 1 1 12 12 GLU H H 1 8.542 0.02 . 1 . . . . 24 GLU HN . 6936 1 75 . 1 1 12 12 GLU HA H 1 4.839 0.02 . 1 . . . . 24 GLU HA . 6936 1 76 . 1 1 12 12 GLU HB2 H 1 1.769 0.02 . 2 . . . . 24 GLU HB1 . 6936 1 77 . 1 1 12 12 GLU HB3 H 1 2.09 0.02 . 2 . . . . 24 GLU HB2 . 6936 1 78 . 1 1 12 12 GLU HG2 H 1 2.19 0.02 . 2 . . . . 24 GLU HG1 . 6936 1 79 . 1 1 12 12 GLU HG3 H 1 2.357 0.02 . 2 . . . . 24 GLU HG2 . 6936 1 80 . 1 1 12 12 GLU C C 13 174.802 0.4 . 1 . . . . 24 GLU CO . 6936 1 81 . 1 1 12 12 GLU CA C 13 52.488 0.4 . 1 . . . . 24 GLU CA . 6936 1 82 . 1 1 12 12 GLU CB C 13 31.052 0.4 . 1 . . . . 24 GLU CB . 6936 1 83 . 1 1 12 12 GLU CG C 13 35.968 0.4 . 1 . . . . 24 GLU CG . 6936 1 84 . 1 1 12 12 GLU N N 15 121.099 0.1 . 1 . . . . 24 GLU N . 6936 1 85 . 1 1 13 13 PRO HA H 1 4.191 0.02 . 1 . . . . 25 PRO HA . 6936 1 86 . 1 1 13 13 PRO HB2 H 1 1.044 0.02 . 2 . . . . 25 PRO HB1 . 6936 1 87 . 1 1 13 13 PRO HB3 H 1 1.619 0.02 . 2 . . . . 25 PRO HB2 . 6936 1 88 . 1 1 13 13 PRO HG2 H 1 1.348 0.02 . 2 . . . . 25 PRO HG1 . 6936 1 89 . 1 1 13 13 PRO HG3 H 1 1.741 0.02 . 2 . . . . 25 PRO HG2 . 6936 1 90 . 1 1 13 13 PRO HD2 H 1 3.306 0.02 . 2 . . . . 25 PRO HD1 . 6936 1 91 . 1 1 13 13 PRO HD3 H 1 3.818 0.02 . 2 . . . . 25 PRO HD2 . 6936 1 92 . 1 1 13 13 PRO C C 13 173.76 0.4 . 1 . . . . 25 PRO CO . 6936 1 93 . 1 1 13 13 PRO CA C 13 61.935 0.4 . 1 . . . . 25 PRO CA . 6936 1 94 . 1 1 13 13 PRO CB C 13 31.743 0.4 . 1 . . . . 25 PRO CB . 6936 1 95 . 1 1 13 13 PRO CG C 13 26.262 0.4 . 1 . . . . 25 PRO CG . 6936 1 96 . 1 1 13 13 PRO CD C 13 49.488 0.4 . 1 . . . . 25 PRO CD . 6936 1 97 . 1 1 14 14 ASP H H 1 7.535 0.02 . 1 . . . . 26 ASP HN . 6936 1 98 . 1 1 14 14 ASP HA H 1 4.717 0.02 . 1 . . . . 26 ASP HA . 6936 1 99 . 1 1 14 14 ASP HB2 H 1 2.431 0.02 . 2 . . . . 26 ASP HB1 . 6936 1 100 . 1 1 14 14 ASP HB3 H 1 2.611 0.02 . 2 . . . . 26 ASP HB2 . 6936 1 101 . 1 1 14 14 ASP C C 13 176.849 0.4 . 1 . . . . 26 ASP CO . 6936 1 102 . 1 1 14 14 ASP CA C 13 52.264 0.4 . 1 . . . . 26 ASP CA . 6936 1 103 . 1 1 14 14 ASP CB C 13 42.131 0.4 . 1 . . . . 26 ASP CB . 6936 1 104 . 1 1 14 14 ASP N N 15 119.405 0.1 . 1 . . . . 26 ASP N . 6936 1 105 . 1 1 15 15 TRP H H 1 8.793 0.02 . 1 . . . . 27 TRP HN . 6936 1 106 . 1 1 15 15 TRP HA H 1 4.249 0.02 . 1 . . . . 27 TRP HA . 6936 1 107 . 1 1 15 15 TRP HB2 H 1 2.821 0.02 . 2 . . . . 27 TRP HB1 . 6936 1 108 . 1 1 15 15 TRP HB3 H 1 3.608 0.02 . 2 . . . . 27 TRP HB2 . 6936 1 109 . 1 1 15 15 TRP HD1 H 1 7.231 0.02 . 1 . . . . 27 TRP HD1 . 6936 1 110 . 1 1 15 15 TRP HE3 H 1 7.937 0.02 . 1 . . . . 27 TRP HE3 . 6936 1 111 . 1 1 15 15 TRP HZ2 H 1 7.345 0.02 . 1 . . . . 27 TRP HZ2 . 6936 1 112 . 1 1 15 15 TRP HZ3 H 1 6.622 0.02 . 1 . . . . 27 TRP HZ3 . 6936 1 113 . 1 1 15 15 TRP HH2 H 1 6.852 0.02 . 1 . . . . 27 TRP HH2 . 6936 1 114 . 1 1 15 15 TRP C C 13 176.898 0.4 . 1 . . . . 27 TRP CO . 6936 1 115 . 1 1 15 15 TRP CA C 13 56.85 0.4 . 1 . . . . 27 TRP CA . 6936 1 116 . 1 1 15 15 TRP CB C 13 28.895 0.4 . 1 . . . . 27 TRP CB . 6936 1 117 . 1 1 15 15 TRP CD1 C 13 128.838 0.4 . 1 . . . . 27 TRP CD1 . 6936 1 118 . 1 1 15 15 TRP CE3 C 13 121.548 0.4 . 1 . . . . 27 TRP CE3 . 6936 1 119 . 1 1 15 15 TRP CZ2 C 13 113.603 0.4 . 1 . . . . 27 TRP CZ2 . 6936 1 120 . 1 1 15 15 TRP CZ3 C 13 121.498 0.4 . 1 . . . . 27 TRP CZ3 . 6936 1 121 . 1 1 15 15 TRP CH2 C 13 123.702 0.4 . 1 . . . . 27 TRP CH2 . 6936 1 122 . 1 1 15 15 TRP N N 15 126.337 0.1 . 1 . . . . 27 TRP N . 6936 1 123 . 1 1 16 16 SER H H 1 8.989 0.02 . 1 . . . . 28 SER HN . 6936 1 124 . 1 1 16 16 SER HA H 1 4.031 0.02 . 1 . . . . 28 SER HA . 6936 1 125 . 1 1 16 16 SER HB2 H 1 3.839 0.02 . 1 . . . . 28 SER HB# . 6936 1 126 . 1 1 16 16 SER HB3 H 1 3.839 0.02 . 1 . . . . 28 SER HB# . 6936 1 127 . 1 1 16 16 SER C C 13 174.667 0.4 . 1 . . . . 28 SER CO . 6936 1 128 . 1 1 16 16 SER CA C 13 63.53 0.4 . 1 . . . . 28 SER CA . 6936 1 129 . 1 1 16 16 SER CB C 13 62.559 0.4 . 1 . . . . 28 SER CB . 6936 1 130 . 1 1 16 16 SER N N 15 119.5 0.1 . 1 . . . . 28 SER N . 6936 1 131 . 1 1 17 17 ASN H H 1 8.595 0.02 . 1 . . . . 29 ASN HN . 6936 1 132 . 1 1 17 17 ASN HA H 1 5.124 0.02 . 1 . . . . 29 ASN HA . 6936 1 133 . 1 1 17 17 ASN HB2 H 1 2.845 0.02 . 2 . . . . 29 ASN HB1 . 6936 1 134 . 1 1 17 17 ASN HB3 H 1 3.001 0.02 . 2 . . . . 29 ASN HB2 . 6936 1 135 . 1 1 17 17 ASN HD21 H 1 6.822 0.02 . 2 . . . . 29 ASN HD21 . 6936 1 136 . 1 1 17 17 ASN HD22 H 1 7.581 0.02 . 2 . . . . 29 ASN HD22 . 6936 1 137 . 1 1 17 17 ASN C C 13 173.739 0.4 . 1 . . . . 29 ASN CO . 6936 1 138 . 1 1 17 17 ASN CA C 13 52.324 0.4 . 1 . . . . 29 ASN CA . 6936 1 139 . 1 1 17 17 ASN CB C 13 39.301 0.4 . 1 . . . . 29 ASN CB . 6936 1 140 . 1 1 17 17 ASN N N 15 119.066 0.1 . 1 . . . . 29 ASN N . 6936 1 141 . 1 1 17 17 ASN ND2 N 15 112.269 0.1 . 1 . . . . 29 ASN ND2 . 6936 1 142 . 1 1 18 18 THR H H 1 8.5 0.02 . 1 . . . . 30 THR HN . 6936 1 143 . 1 1 18 18 THR HA H 1 5.138 0.02 . 1 . . . . 30 THR HA . 6936 1 144 . 1 1 18 18 THR HB H 1 4.098 0.02 . 1 . . . . 30 THR HB . 6936 1 145 . 1 1 18 18 THR HG21 H 1 1.275 0.02 . 1 . . . . 30 THR HG2# . 6936 1 146 . 1 1 18 18 THR HG22 H 1 1.275 0.02 . 1 . . . . 30 THR HG2# . 6936 1 147 . 1 1 18 18 THR HG23 H 1 1.275 0.02 . 1 . . . . 30 THR HG2# . 6936 1 148 . 1 1 18 18 THR C C 13 174.524 0.4 . 1 . . . . 30 THR CO . 6936 1 149 . 1 1 18 18 THR CA C 13 62.239 0.4 . 1 . . . . 30 THR CA . 6936 1 150 . 1 1 18 18 THR CB C 13 71.233 0.4 . 1 . . . . 30 THR CB . 6936 1 151 . 1 1 18 18 THR CG2 C 13 21.342 0.4 . 1 . . . . 30 THR CG2 . 6936 1 152 . 1 1 18 18 THR N N 15 121.11 0.1 . 1 . . . . 30 THR N . 6936 1 153 . 1 1 19 19 VAL H H 1 9.201 0.02 . 1 . . . . 31 VAL HN . 6936 1 154 . 1 1 19 19 VAL HA H 1 5.127 0.02 . 1 . . . . 31 VAL HA . 6936 1 155 . 1 1 19 19 VAL HB H 1 2.266 0.02 . 1 . . . . 31 VAL HB . 6936 1 156 . 1 1 19 19 VAL HG11 H 1 0.769 0.02 . 2 . . . . 31 VAL HG1# . 6936 1 157 . 1 1 19 19 VAL HG12 H 1 0.769 0.02 . 2 . . . . 31 VAL HG1# . 6936 1 158 . 1 1 19 19 VAL HG13 H 1 0.769 0.02 . 2 . . . . 31 VAL HG1# . 6936 1 159 . 1 1 19 19 VAL HG21 H 1 0.863 0.02 . 2 . . . . 31 VAL HG2# . 6936 1 160 . 1 1 19 19 VAL HG22 H 1 0.863 0.02 . 2 . . . . 31 VAL HG2# . 6936 1 161 . 1 1 19 19 VAL HG23 H 1 0.863 0.02 . 2 . . . . 31 VAL HG2# . 6936 1 162 . 1 1 19 19 VAL C C 13 173.056 0.4 . 1 . . . . 31 VAL CO . 6936 1 163 . 1 1 19 19 VAL CA C 13 57.561 0.4 . 1 . . . . 31 VAL CA . 6936 1 164 . 1 1 19 19 VAL CB C 13 34.117 0.4 . 1 . . . . 31 VAL CB . 6936 1 165 . 1 1 19 19 VAL CG1 C 13 18.867 0.4 . 2 . . . . 31 VAL CG1 . 6936 1 166 . 1 1 19 19 VAL CG2 C 13 21.364 0.4 . 2 . . . . 31 VAL CG2 . 6936 1 167 . 1 1 19 19 VAL N N 15 119.203 0.1 . 1 . . . . 31 VAL N . 6936 1 168 . 1 1 20 20 PRO HA H 1 4.788 0.02 . 1 . . . . 32 PRO HA . 6936 1 169 . 1 1 20 20 PRO HB2 H 1 1.819 0.02 . 2 . . . . 32 PRO HB1 . 6936 1 170 . 1 1 20 20 PRO HB3 H 1 2.507 0.02 . 2 . . . . 32 PRO HB2 . 6936 1 171 . 1 1 20 20 PRO HG2 H 1 2.044 0.02 . 2 . . . . 32 PRO HG1 . 6936 1 172 . 1 1 20 20 PRO HG3 H 1 2.132 0.02 . 2 . . . . 32 PRO HG2 . 6936 1 173 . 1 1 20 20 PRO HD2 H 1 3.76 0.02 . 2 . . . . 32 PRO HD1 . 6936 1 174 . 1 1 20 20 PRO HD3 H 1 3.887 0.02 . 2 . . . . 32 PRO HD2 . 6936 1 175 . 1 1 20 20 PRO C C 13 177.242 0.4 . 1 . . . . 32 PRO CO . 6936 1 176 . 1 1 20 20 PRO CA C 13 63.016 0.4 . 1 . . . . 32 PRO CA . 6936 1 177 . 1 1 20 20 PRO CB C 13 32.348 0.4 . 1 . . . . 32 PRO CB . 6936 1 178 . 1 1 20 20 PRO CG C 13 27.997 0.4 . 1 . . . . 32 PRO CG . 6936 1 179 . 1 1 20 20 PRO CD C 13 50.893 0.4 . 1 . . . . 32 PRO CD . 6936 1 180 . 1 1 21 21 VAL H H 1 8.096 0.02 . 1 . . . . 33 VAL HN . 6936 1 181 . 1 1 21 21 VAL HA H 1 3.648 0.02 . 1 . . . . 33 VAL HA . 6936 1 182 . 1 1 21 21 VAL HB H 1 1.735 0.02 . 1 . . . . 33 VAL HB . 6936 1 183 . 1 1 21 21 VAL HG11 H 1 0.74 0.02 . 2 . . . . 33 VAL HG1# . 6936 1 184 . 1 1 21 21 VAL HG12 H 1 0.74 0.02 . 2 . . . . 33 VAL HG1# . 6936 1 185 . 1 1 21 21 VAL HG13 H 1 0.74 0.02 . 2 . . . . 33 VAL HG1# . 6936 1 186 . 1 1 21 21 VAL HG21 H 1 0.923 0.02 . 2 . . . . 33 VAL HG2# . 6936 1 187 . 1 1 21 21 VAL HG22 H 1 0.923 0.02 . 2 . . . . 33 VAL HG2# . 6936 1 188 . 1 1 21 21 VAL HG23 H 1 0.923 0.02 . 2 . . . . 33 VAL HG2# . 6936 1 189 . 1 1 21 21 VAL C C 13 175.719 0.4 . 1 . . . . 33 VAL CO . 6936 1 190 . 1 1 21 21 VAL CA C 13 65.416 0.4 . 1 . . . . 33 VAL CA . 6936 1 191 . 1 1 21 21 VAL CB C 13 33.735 0.4 . 1 . . . . 33 VAL CB . 6936 1 192 . 1 1 21 21 VAL CG1 C 13 21.92 0.4 . 2 . . . . 33 VAL CG1 . 6936 1 193 . 1 1 21 21 VAL CG2 C 13 22.255 0.4 . 2 . . . . 33 VAL CG2 . 6936 1 194 . 1 1 21 21 VAL N N 15 121.649 0.1 . 1 . . . . 33 VAL N . 6936 1 195 . 1 1 22 22 ASN H H 1 9.112 0.02 . 1 . . . . 34 ASN HN . 6936 1 196 . 1 1 22 22 ASN HA H 1 5.069 0.02 . 1 . . . . 34 ASN HA . 6936 1 197 . 1 1 22 22 ASN HB2 H 1 2.887 0.02 . 2 . . . . 34 ASN HB1 . 6936 1 198 . 1 1 22 22 ASN HB3 H 1 3.132 0.02 . 2 . . . . 34 ASN HB2 . 6936 1 199 . 1 1 22 22 ASN HD21 H 1 8.536 0.02 . 2 . . . . 34 ASN HD21 . 6936 1 200 . 1 1 22 22 ASN HD22 H 1 9.05 0.02 . 2 . . . . 34 ASN HD22 . 6936 1 201 . 1 1 22 22 ASN C C 13 174.932 0.4 . 1 . . . . 34 ASN CO . 6936 1 202 . 1 1 22 22 ASN CA C 13 53.331 0.4 . 1 . . . . 34 ASN CA . 6936 1 203 . 1 1 22 22 ASN CB C 13 38.25 0.4 . 1 . . . . 34 ASN CB . 6936 1 204 . 1 1 22 22 ASN N N 15 114.315 0.1 . 1 . . . . 34 ASN N . 6936 1 205 . 1 1 22 22 ASN ND2 N 15 117.961 0.1 . 1 . . . . 34 ASN ND2 . 6936 1 206 . 1 1 23 23 LYS H H 1 9.127 0.02 . 1 . . . . 35 LYS HN . 6936 1 207 . 1 1 23 23 LYS HA H 1 4.033 0.02 . 1 . . . . 35 LYS HA . 6936 1 208 . 1 1 23 23 LYS HB2 H 1 1.819 0.02 . 2 . . . . 35 LYS HB1 . 6936 1 209 . 1 1 23 23 LYS HB3 H 1 1.935 0.02 . 2 . . . . 35 LYS HB2 . 6936 1 210 . 1 1 23 23 LYS HG2 H 1 1.534 0.02 . 1 . . . . 35 LYS HG# . 6936 1 211 . 1 1 23 23 LYS HG3 H 1 1.534 0.02 . 1 . . . . 35 LYS HG# . 6936 1 212 . 1 1 23 23 LYS HD2 H 1 1.647 0.02 . 1 . . . . 35 LYS HD# . 6936 1 213 . 1 1 23 23 LYS HD3 H 1 1.647 0.02 . 1 . . . . 35 LYS HD# . 6936 1 214 . 1 1 23 23 LYS HE2 H 1 3.01 0.02 . 1 . . . . 35 LYS HE# . 6936 1 215 . 1 1 23 23 LYS HE3 H 1 3.01 0.02 . 1 . . . . 35 LYS HE# . 6936 1 216 . 1 1 23 23 LYS C C 13 178.079 0.4 . 1 . . . . 35 LYS CO . 6936 1 217 . 1 1 23 23 LYS CA C 13 58.834 0.4 . 1 . . . . 35 LYS CA . 6936 1 218 . 1 1 23 23 LYS CB C 13 32.142 0.4 . 1 . . . . 35 LYS CB . 6936 1 219 . 1 1 23 23 LYS CG C 13 26.066 0.4 . 1 . . . . 35 LYS CG . 6936 1 220 . 1 1 23 23 LYS CD C 13 28.729 0.4 . 1 . . . . 35 LYS CD . 6936 1 221 . 1 1 23 23 LYS CE C 13 42.287 0.4 . 1 . . . . 35 LYS CE . 6936 1 222 . 1 1 23 23 LYS N N 15 127.21 0.1 . 1 . . . . 35 LYS N . 6936 1 223 . 1 1 24 24 THR H H 1 7.707 0.02 . 1 . . . . 36 THR HN . 6936 1 224 . 1 1 24 24 THR HA H 1 4.327 0.02 . 1 . . . . 36 THR HA . 6936 1 225 . 1 1 24 24 THR HB H 1 4.145 0.02 . 1 . . . . 36 THR HB . 6936 1 226 . 1 1 24 24 THR HG21 H 1 1.112 0.02 . 1 . . . . 36 THR HG2# . 6936 1 227 . 1 1 24 24 THR HG22 H 1 1.112 0.02 . 1 . . . . 36 THR HG2# . 6936 1 228 . 1 1 24 24 THR HG23 H 1 1.112 0.02 . 1 . . . . 36 THR HG2# . 6936 1 229 . 1 1 24 24 THR C C 13 173.145 0.4 . 1 . . . . 36 THR CO . 6936 1 230 . 1 1 24 24 THR CA C 13 58.929 0.4 . 1 . . . . 36 THR CA . 6936 1 231 . 1 1 24 24 THR CB C 13 71.864 0.4 . 1 . . . . 36 THR CB . 6936 1 232 . 1 1 24 24 THR CG2 C 13 22.008 0.4 . 1 . . . . 36 THR CG2 . 6936 1 233 . 1 1 24 24 THR N N 15 106.49 0.1 . 1 . . . . 36 THR N . 6936 1 234 . 1 1 25 25 ILE H H 1 8.212 0.02 . 1 . . . . 37 ILE HN . 6936 1 235 . 1 1 25 25 ILE HA H 1 3.912 0.02 . 1 . . . . 37 ILE HA . 6936 1 236 . 1 1 25 25 ILE HB H 1 1.45 0.02 . 1 . . . . 37 ILE HB . 6936 1 237 . 1 1 25 25 ILE HG12 H 1 0.905 0.02 . 2 . . . . 37 ILE HG11 . 6936 1 238 . 1 1 25 25 ILE HG13 H 1 1.154 0.02 . 2 . . . . 37 ILE HG12 . 6936 1 239 . 1 1 25 25 ILE HG21 H 1 0.223 0.02 . 1 . . . . 37 ILE HG2# . 6936 1 240 . 1 1 25 25 ILE HG22 H 1 0.223 0.02 . 1 . . . . 37 ILE HG2# . 6936 1 241 . 1 1 25 25 ILE HG23 H 1 0.223 0.02 . 1 . . . . 37 ILE HG2# . 6936 1 242 . 1 1 25 25 ILE HD11 H 1 0.458 0.02 . 1 . . . . 37 ILE HD1# . 6936 1 243 . 1 1 25 25 ILE HD12 H 1 0.458 0.02 . 1 . . . . 37 ILE HD1# . 6936 1 244 . 1 1 25 25 ILE HD13 H 1 0.458 0.02 . 1 . . . . 37 ILE HD1# . 6936 1 245 . 1 1 25 25 ILE C C 13 174.697 0.4 . 1 . . . . 37 ILE CO . 6936 1 246 . 1 1 25 25 ILE CA C 13 57.127 0.4 . 1 . . . . 37 ILE CA . 6936 1 247 . 1 1 25 25 ILE CB C 13 37.847 0.4 . 1 . . . . 37 ILE CB . 6936 1 248 . 1 1 25 25 ILE CG1 C 13 26.925 0.4 . 1 . . . . 37 ILE CG1 . 6936 1 249 . 1 1 25 25 ILE CG2 C 13 15.981 0.4 . 1 . . . . 37 ILE CG2 . 6936 1 250 . 1 1 25 25 ILE CD1 C 13 11.121 0.4 . 1 . . . . 37 ILE CD1 . 6936 1 251 . 1 1 25 25 ILE N N 15 121.481 0.1 . 1 . . . . 37 ILE N . 6936 1 252 . 1 1 26 26 PRO HA H 1 3.556 0.02 . 1 . . . . 38 PRO HA . 6936 1 253 . 1 1 26 26 PRO HB2 H 1 0.884 0.02 . 2 . . . . 38 PRO HB1 . 6936 1 254 . 1 1 26 26 PRO HB3 H 1 0.951 0.02 . 2 . . . . 38 PRO HB2 . 6936 1 255 . 1 1 26 26 PRO HG2 H 1 0.73 0.02 . 2 . . . . 38 PRO HG1 . 6936 1 256 . 1 1 26 26 PRO HG3 H 1 1.011 0.02 . 2 . . . . 38 PRO HG2 . 6936 1 257 . 1 1 26 26 PRO HD2 H 1 2.832 0.02 . 2 . . . . 38 PRO HD1 . 6936 1 258 . 1 1 26 26 PRO HD3 H 1 2.95 0.02 . 2 . . . . 38 PRO HD2 . 6936 1 259 . 1 1 26 26 PRO C C 13 175.679 0.4 . 1 . . . . 38 PRO CO . 6936 1 260 . 1 1 26 26 PRO CA C 13 62.142 0.4 . 1 . . . . 38 PRO CA . 6936 1 261 . 1 1 26 26 PRO CB C 13 31.039 0.4 . 1 . . . . 38 PRO CB . 6936 1 262 . 1 1 26 26 PRO CG C 13 26.338 0.4 . 1 . . . . 38 PRO CG . 6936 1 263 . 1 1 26 26 PRO CD C 13 49.921 0.4 . 1 . . . . 38 PRO CD . 6936 1 264 . 1 1 27 27 VAL H H 1 7.94 0.02 . 1 . . . . 39 VAL HN . 6936 1 265 . 1 1 27 27 VAL HA H 1 3.842 0.02 . 1 . . . . 39 VAL HA . 6936 1 266 . 1 1 27 27 VAL HB H 1 1.9 0.02 . 1 . . . . 39 VAL HB . 6936 1 267 . 1 1 27 27 VAL HG11 H 1 0.805 0.02 . 2 . . . . 39 VAL HG1# . 6936 1 268 . 1 1 27 27 VAL HG12 H 1 0.805 0.02 . 2 . . . . 39 VAL HG1# . 6936 1 269 . 1 1 27 27 VAL HG13 H 1 0.805 0.02 . 2 . . . . 39 VAL HG1# . 6936 1 270 . 1 1 27 27 VAL HG21 H 1 0.814 0.02 . 2 . . . . 39 VAL HG2# . 6936 1 271 . 1 1 27 27 VAL HG22 H 1 0.814 0.02 . 2 . . . . 39 VAL HG2# . 6936 1 272 . 1 1 27 27 VAL HG23 H 1 0.814 0.02 . 2 . . . . 39 VAL HG2# . 6936 1 273 . 1 1 27 27 VAL C C 13 175.854 0.4 . 1 . . . . 39 VAL CO . 6936 1 274 . 1 1 27 27 VAL CA C 13 61.873 0.4 . 1 . . . . 39 VAL CA . 6936 1 275 . 1 1 27 27 VAL CB C 13 32.905 0.4 . 1 . . . . 39 VAL CB . 6936 1 276 . 1 1 27 27 VAL CG1 C 13 20.576 0.4 . 2 . . . . 39 VAL CG1 . 6936 1 277 . 1 1 27 27 VAL CG2 C 13 21.219 0.4 . 2 . . . . 39 VAL CG2 . 6936 1 278 . 1 1 27 27 VAL N N 15 120.754 0.1 . 1 . . . . 39 VAL N . 6936 1 279 . 1 1 28 28 ASP H H 1 8.405 0.02 . 1 . . . . 40 ASP HN . 6936 1 280 . 1 1 28 28 ASP HA H 1 4.662 0.02 . 1 . . . . 40 ASP HA . 6936 1 281 . 1 1 28 28 ASP HB2 H 1 2.538 0.02 . 2 . . . . 40 ASP HB1 . 6936 1 282 . 1 1 28 28 ASP HB3 H 1 2.682 0.02 . 2 . . . . 40 ASP HB2 . 6936 1 283 . 1 1 28 28 ASP C C 13 176.513 0.4 . 1 . . . . 40 ASP CO . 6936 1 284 . 1 1 28 28 ASP CA C 13 54.113 0.4 . 1 . . . . 40 ASP CA . 6936 1 285 . 1 1 28 28 ASP CB C 13 41.642 0.4 . 1 . . . . 40 ASP CB . 6936 1 286 . 1 1 28 28 ASP N N 15 124.944 0.1 . 1 . . . . 40 ASP N . 6936 1 287 . 1 1 29 29 THR H H 1 8.107 0.02 . 1 . . . . 41 THR HN . 6936 1 288 . 1 1 29 29 THR HA H 1 4.276 0.02 . 1 . . . . 41 THR HA . 6936 1 289 . 1 1 29 29 THR HB H 1 4.236 0.02 . 1 . . . . 41 THR HB . 6936 1 290 . 1 1 29 29 THR HG21 H 1 1.112 0.02 . 1 . . . . 41 THR HG2# . 6936 1 291 . 1 1 29 29 THR HG22 H 1 1.112 0.02 . 1 . . . . 41 THR HG2# . 6936 1 292 . 1 1 29 29 THR HG23 H 1 1.112 0.02 . 1 . . . . 41 THR HG2# . 6936 1 293 . 1 1 29 29 THR C C 13 174.91 0.4 . 1 . . . . 41 THR CO . 6936 1 294 . 1 1 29 29 THR CA C 13 61.758 0.4 . 1 . . . . 41 THR CA . 6936 1 295 . 1 1 29 29 THR CB C 13 69.534 0.4 . 1 . . . . 41 THR CB . 6936 1 296 . 1 1 29 29 THR CG2 C 13 21.754 0.4 . 1 . . . . 41 THR CG2 . 6936 1 297 . 1 1 29 29 THR N N 15 114.484 0.1 . 1 . . . . 41 THR N . 6936 1 298 . 1 1 30 30 GLN H H 1 8.453 0.02 . 1 . . . . 42 GLN HN . 6936 1 299 . 1 1 30 30 GLN HA H 1 4.316 0.02 . 1 . . . . 42 GLN HA . 6936 1 300 . 1 1 30 30 GLN HB2 H 1 1.99 0.02 . 2 . . . . 42 GLN HB1 . 6936 1 301 . 1 1 30 30 GLN HB3 H 1 2.126 0.02 . 2 . . . . 42 GLN HB2 . 6936 1 302 . 1 1 30 30 GLN HG2 H 1 2.317 0.02 . 1 . . . . 42 GLN HG# . 6936 1 303 . 1 1 30 30 GLN HG3 H 1 2.317 0.02 . 1 . . . . 42 GLN HG# . 6936 1 304 . 1 1 30 30 GLN HE21 H 1 6.845 0.02 . 2 . . . . 42 GLN HE21 . 6936 1 305 . 1 1 30 30 GLN HE22 H 1 7.579 0.02 . 2 . . . . 42 GLN HE22 . 6936 1 306 . 1 1 30 30 GLN C C 13 176.647 0.4 . 1 . . . . 42 GLN CO . 6936 1 307 . 1 1 30 30 GLN CA C 13 56.122 0.4 . 1 . . . . 42 GLN CA . 6936 1 308 . 1 1 30 30 GLN CB C 13 29.433 0.4 . 1 . . . . 42 GLN CB . 6936 1 309 . 1 1 30 30 GLN CG C 13 33.909 0.4 . 1 . . . . 42 GLN CG . 6936 1 310 . 1 1 30 30 GLN N N 15 122.267 0.1 . 1 . . . . 42 GLN N . 6936 1 311 . 1 1 30 30 GLN NE2 N 15 112.626 0.1 . 1 . . . . 42 GLN NE2 . 6936 1 312 . 1 1 31 31 GLY H H 1 8.455 0.02 . 1 . . . . 43 GLY HN . 6936 1 313 . 1 1 31 31 GLY HA2 H 1 3.934 0.02 . 1 . . . . 43 GLY HA# . 6936 1 314 . 1 1 31 31 GLY HA3 H 1 3.934 0.02 . 1 . . . . 43 GLY HA# . 6936 1 315 . 1 1 31 31 GLY C C 13 174.724 0.4 . 1 . . . . 43 GLY CO . 6936 1 316 . 1 1 31 31 GLY CA C 13 45.393 0.4 . 1 . . . . 43 GLY CA . 6936 1 317 . 1 1 31 31 GLY N N 15 109.977 0.1 . 1 . . . . 43 GLY N . 6936 1 318 . 1 1 32 32 GLY H H 1 8.323 0.02 . 1 . . . . 44 GLY HN . 6936 1 319 . 1 1 32 32 GLY HA2 H 1 3.936 0.02 . 1 . . . . 44 GLY HA# . 6936 1 320 . 1 1 32 32 GLY HA3 H 1 3.936 0.02 . 1 . . . . 44 GLY HA# . 6936 1 321 . 1 1 32 32 GLY C C 13 174.207 0.4 . 1 . . . . 44 GLY CO . 6936 1 322 . 1 1 32 32 GLY CA C 13 45.206 0.4 . 1 . . . . 44 GLY CA . 6936 1 323 . 1 1 32 32 GLY N N 15 108.834 0.1 . 1 . . . . 44 GLY N . 6936 1 324 . 1 1 33 33 ARG H H 1 8.232 0.02 . 1 . . . . 45 ARG HN . 6936 1 325 . 1 1 33 33 ARG HA H 1 4.308 0.02 . 1 . . . . 45 ARG HA . 6936 1 326 . 1 1 33 33 ARG HB2 H 1 1.726 0.02 . 2 . . . . 45 ARG HB1 . 6936 1 327 . 1 1 33 33 ARG HB3 H 1 1.826 0.02 . 2 . . . . 45 ARG HB2 . 6936 1 328 . 1 1 33 33 ARG HG2 H 1 1.565 0.02 . 1 . . . . 45 ARG HG# . 6936 1 329 . 1 1 33 33 ARG HG3 H 1 1.565 0.02 . 1 . . . . 45 ARG HG# . 6936 1 330 . 1 1 33 33 ARG HD2 H 1 3.135 0.02 . 1 . . . . 45 ARG HD# . 6936 1 331 . 1 1 33 33 ARG HD3 H 1 3.135 0.02 . 1 . . . . 45 ARG HD# . 6936 1 332 . 1 1 33 33 ARG C C 13 176.137 0.4 . 1 . . . . 45 ARG CO . 6936 1 333 . 1 1 33 33 ARG CA C 13 56.059 0.4 . 1 . . . . 45 ARG CA . 6936 1 334 . 1 1 33 33 ARG CB C 13 30.881 0.4 . 1 . . . . 45 ARG CB . 6936 1 335 . 1 1 33 33 ARG CG C 13 27.187 0.4 . 1 . . . . 45 ARG CG . 6936 1 336 . 1 1 33 33 ARG CD C 13 43.235 0.4 . 1 . . . . 45 ARG CD . 6936 1 337 . 1 1 33 33 ARG N N 15 120.378 0.1 . 1 . . . . 45 ARG N . 6936 1 338 . 1 1 34 34 ASN H H 1 8.601 0.02 . 1 . . . . 46 ASN HN . 6936 1 339 . 1 1 34 34 ASN HA H 1 4.69 0.02 . 1 . . . . 46 ASN HA . 6936 1 340 . 1 1 34 34 ASN HB2 H 1 2.696 0.02 . 2 . . . . 46 ASN HB1 . 6936 1 341 . 1 1 34 34 ASN HB3 H 1 2.821 0.02 . 2 . . . . 46 ASN HB2 . 6936 1 342 . 1 1 34 34 ASN HD21 H 1 6.91 0.02 . 2 . . . . 46 ASN HD21 . 6936 1 343 . 1 1 34 34 ASN HD22 H 1 7.605 0.02 . 2 . . . . 46 ASN HD22 . 6936 1 344 . 1 1 34 34 ASN C C 13 175.048 0.4 . 1 . . . . 46 ASN CO . 6936 1 345 . 1 1 34 34 ASN CA C 13 53.36 0.4 . 1 . . . . 46 ASN CA . 6936 1 346 . 1 1 34 34 ASN CB C 13 38.905 0.4 . 1 . . . . 46 ASN CB . 6936 1 347 . 1 1 34 34 ASN N N 15 120.215 0.1 . 1 . . . . 46 ASN N . 6936 1 348 . 1 1 34 34 ASN ND2 N 15 113.185 0.1 . 1 . . . . 46 ASN ND2 . 6936 1 349 . 1 1 35 35 GLU H H 1 8.385 0.02 . 1 . . . . 47 GLU HN . 6936 1 350 . 1 1 35 35 GLU HA H 1 4.338 0.02 . 1 . . . . 47 GLU HA . 6936 1 351 . 1 1 35 35 GLU HB2 H 1 1.882 0.02 . 2 . . . . 47 GLU HB1 . 6936 1 352 . 1 1 35 35 GLU HB3 H 1 2.099 0.02 . 2 . . . . 47 GLU HB2 . 6936 1 353 . 1 1 35 35 GLU HG2 H 1 2.218 0.02 . 1 . . . . 47 GLU HG# . 6936 1 354 . 1 1 35 35 GLU HG3 H 1 2.218 0.02 . 1 . . . . 47 GLU HG# . 6936 1 355 . 1 1 35 35 GLU C C 13 175.639 0.4 . 1 . . . . 47 GLU CO . 6936 1 356 . 1 1 35 35 GLU CA C 13 56.536 0.4 . 1 . . . . 47 GLU CA . 6936 1 357 . 1 1 35 35 GLU CB C 13 30.565 0.4 . 1 . . . . 47 GLU CB . 6936 1 358 . 1 1 35 35 GLU CG C 13 36.36 0.4 . 1 . . . . 47 GLU CG . 6936 1 359 . 1 1 35 35 GLU N N 15 121.609 0.1 . 1 . . . . 47 GLU N . 6936 1 360 . 1 1 36 36 SER H H 1 7.987 0.02 . 1 . . . . 48 SER HN . 6936 1 361 . 1 1 36 36 SER HA H 1 4.223 0.02 . 1 . . . . 48 SER HA . 6936 1 362 . 1 1 36 36 SER HB2 H 1 3.81 0.02 . 1 . . . . 48 SER HB# . 6936 1 363 . 1 1 36 36 SER HB3 H 1 3.81 0.02 . 1 . . . . 48 SER HB# . 6936 1 364 . 1 1 36 36 SER C C 13 178.675 0.4 . 1 . . . . 48 SER CO . 6936 1 365 . 1 1 36 36 SER CA C 13 60.034 0.4 . 1 . . . . 48 SER CA . 6936 1 366 . 1 1 36 36 SER CB C 13 64.82 0.4 . 1 . . . . 48 SER CB . 6936 1 367 . 1 1 36 36 SER N N 15 122.162 0.1 . 1 . . . . 48 SER N . 6936 1 368 . 2 2 9 9 ALA HA H 1 4.369 0.02 . 1 . . . . 177 ALA HA . 6936 1 369 . 2 2 9 9 ALA HB1 H 1 1.367 0.02 . 1 . . . . 177 ALA HB# . 6936 1 370 . 2 2 9 9 ALA HB2 H 1 1.367 0.02 . 1 . . . . 177 ALA HB# . 6936 1 371 . 2 2 9 9 ALA HB3 H 1 1.367 0.02 . 1 . . . . 177 ALA HB# . 6936 1 372 . 2 2 9 9 ALA C C 13 175.22 0.4 . 1 . . . . 177 ALA CO . 6936 1 373 . 2 2 9 9 ALA CA C 13 52.573 0.4 . 1 . . . . 177 ALA CA . 6936 1 374 . 2 2 9 9 ALA CB C 13 19.284 0.4 . 1 . . . . 177 ALA CB . 6936 1 375 . 2 2 10 10 GLY HA2 H 1 3.842 0.02 . 2 . . . . 178 GLY HA1 . 6936 1 376 . 2 2 10 10 GLY HA3 H 1 4.208 0.02 . 2 . . . . 178 GLY HA2 . 6936 1 377 . 2 2 10 10 GLY C C 13 173.954 0.4 . 1 . . . . 178 GLY CO . 6936 1 378 . 2 2 10 10 GLY CA C 13 44.702 0.4 . 1 . . . . 178 GLY CA . 6936 1 379 . 2 2 11 11 ALA H H 1 8.062 0.02 . 1 . . . . 179 ALA HN . 6936 1 380 . 2 2 11 11 ALA HA H 1 4.303 0.02 . 1 . . . . 179 ALA HA . 6936 1 381 . 2 2 11 11 ALA HB1 H 1 1.333 0.02 . 1 . . . . 179 ALA HB# . 6936 1 382 . 2 2 11 11 ALA HB2 H 1 1.333 0.02 . 1 . . . . 179 ALA HB# . 6936 1 383 . 2 2 11 11 ALA HB3 H 1 1.333 0.02 . 1 . . . . 179 ALA HB# . 6936 1 384 . 2 2 11 11 ALA C C 13 177.069 0.4 . 1 . . . . 179 ALA CO . 6936 1 385 . 2 2 11 11 ALA CA C 13 52.659 0.4 . 1 . . . . 179 ALA CA . 6936 1 386 . 2 2 11 11 ALA CB C 13 19.265 0.4 . 1 . . . . 179 ALA CB . 6936 1 387 . 2 2 11 11 ALA N N 15 123.666 0.1 . 1 . . . . 179 ALA N . 6936 1 388 . 2 2 12 12 LYS H H 1 8.166 0.02 . 1 . . . . 180 LYS HN . 6936 1 389 . 2 2 12 12 LYS HA H 1 4.948 0.02 . 1 . . . . 180 LYS HA . 6936 1 390 . 2 2 12 12 LYS HB2 H 1 1.352 0.02 . 2 . . . . 180 LYS HB1 . 6936 1 391 . 2 2 12 12 LYS HB3 H 1 1.573 0.02 . 2 . . . . 180 LYS HB2 . 6936 1 392 . 2 2 12 12 LYS HG2 H 1 1.367 0.02 . 2 . . . . 180 LYS HG1 . 6936 1 393 . 2 2 12 12 LYS HG3 H 1 1.497 0.02 . 2 . . . . 180 LYS HG2 . 6936 1 394 . 2 2 12 12 LYS HD2 H 1 1.463 0.02 . 1 . . . . 180 LYS HD# . 6936 1 395 . 2 2 12 12 LYS HD3 H 1 1.463 0.02 . 1 . . . . 180 LYS HD# . 6936 1 396 . 2 2 12 12 LYS HE2 H 1 2.893 0.02 . 1 . . . . 180 LYS HE# . 6936 1 397 . 2 2 12 12 LYS HE3 H 1 2.893 0.02 . 1 . . . . 180 LYS HE# . 6936 1 398 . 2 2 12 12 LYS C C 13 175.426 0.4 . 1 . . . . 180 LYS CO . 6936 1 399 . 2 2 12 12 LYS CA C 13 54.549 0.4 . 1 . . . . 180 LYS CA . 6936 1 400 . 2 2 12 12 LYS CB C 13 36.399 0.4 . 1 . . . . 180 LYS CB . 6936 1 401 . 2 2 12 12 LYS CG C 13 25.688 0.4 . 1 . . . . 180 LYS CG . 6936 1 402 . 2 2 12 12 LYS CD C 13 28.891 0.4 . 1 . . . . 180 LYS CD . 6936 1 403 . 2 2 12 12 LYS CE C 13 42.177 0.4 . 1 . . . . 180 LYS CE . 6936 1 404 . 2 2 12 12 LYS N N 15 117.034 0.1 . 1 . . . . 180 LYS N . 6936 1 405 . 2 2 13 13 ASN H H 1 8.95 0.02 . 1 . . . . 181 ASN HN . 6936 1 406 . 2 2 13 13 ASN HA H 1 4.957 0.02 . 1 . . . . 181 ASN HA . 6936 1 407 . 2 2 13 13 ASN HB2 H 1 2.44 0.02 . 2 . . . . 181 ASN HB1 . 6936 1 408 . 2 2 13 13 ASN HB3 H 1 2.866 0.02 . 2 . . . . 181 ASN HB2 . 6936 1 409 . 2 2 13 13 ASN HD21 H 1 6.183 0.02 . 2 . . . . 181 ASN HD21 . 6936 1 410 . 2 2 13 13 ASN HD22 H 1 9.199 0.02 . 2 . . . . 181 ASN HD22 . 6936 1 411 . 2 2 13 13 ASN C C 13 174.161 0.4 . 1 . . . . 181 ASN CO . 6936 1 412 . 2 2 13 13 ASN CA C 13 52.22 0.4 . 1 . . . . 181 ASN CA . 6936 1 413 . 2 2 13 13 ASN CB C 13 39.927 0.4 . 1 . . . . 181 ASN CB . 6936 1 414 . 2 2 13 13 ASN N N 15 119.791 0.1 . 1 . . . . 181 ASN N . 6936 1 415 . 2 2 13 13 ASN ND2 N 15 121.468 0.1 . 1 . . . . 181 ASN ND2 . 6936 1 416 . 2 2 14 14 TYR H H 1 9.026 0.02 . 1 . . . . 182 TYR HN . 6936 1 417 . 2 2 14 14 TYR HA H 1 5.192 0.02 . 1 . . . . 182 TYR HA . 6936 1 418 . 2 2 14 14 TYR HB2 H 1 2.846 0.02 . 2 . . . . 182 TYR HB1 . 6936 1 419 . 2 2 14 14 TYR HB3 H 1 3.602 0.02 . 2 . . . . 182 TYR HB2 . 6936 1 420 . 2 2 14 14 TYR HD1 H 1 7.08 0.02 . 1 . . . . 182 TYR HD# . 6936 1 421 . 2 2 14 14 TYR HD2 H 1 7.08 0.02 . 1 . . . . 182 TYR HD# . 6936 1 422 . 2 2 14 14 TYR HE1 H 1 6.349 0.02 . 1 . . . . 182 TYR HE# . 6936 1 423 . 2 2 14 14 TYR HE2 H 1 6.349 0.02 . 1 . . . . 182 TYR HE# . 6936 1 424 . 2 2 14 14 TYR C C 13 177.881 0.4 . 1 . . . . 182 TYR CO . 6936 1 425 . 2 2 14 14 TYR CA C 13 56.44 0.4 . 1 . . . . 182 TYR CA . 6936 1 426 . 2 2 14 14 TYR CB C 13 39.587 0.4 . 1 . . . . 182 TYR CB . 6936 1 427 . 2 2 14 14 TYR CD1 C 13 133.2 0.4 . 1 . . . . 182 TYR CD . 6936 1 428 . 2 2 14 14 TYR CD2 C 13 133.2 0.4 . 1 . . . . 182 TYR CD . 6936 1 429 . 2 2 14 14 TYR CE1 C 13 117.83 0.4 . 1 . . . . 182 TYR CE . 6936 1 430 . 2 2 14 14 TYR CE2 C 13 117.83 0.4 . 1 . . . . 182 TYR CE . 6936 1 431 . 2 2 14 14 TYR N N 15 122.697 0.1 . 1 . . . . 182 TYR N . 6936 1 432 . 2 2 15 15 GLN H H 1 7.978 0.02 . 1 . . . . 183 GLN HN . 6936 1 433 . 2 2 15 15 GLN HA H 1 4.552 0.02 . 1 . . . . 183 GLN HA . 6936 1 434 . 2 2 15 15 GLN HB2 H 1 2.079 0.02 . 2 . . . . 183 GLN HB1 . 6936 1 435 . 2 2 15 15 GLN HB3 H 1 2.17 0.02 . 2 . . . . 183 GLN HB2 . 6936 1 436 . 2 2 15 15 GLN HG2 H 1 2.417 0.02 . 2 . . . . 183 GLN HG1 . 6936 1 437 . 2 2 15 15 GLN HG3 H 1 2.568 0.02 . 2 . . . . 183 GLN HG2 . 6936 1 438 . 2 2 15 15 GLN HE21 H 1 6.966 0.02 . 2 . . . . 183 GLN HE21 . 6936 1 439 . 2 2 15 15 GLN HE22 H 1 7.719 0.02 . 2 . . . . 183 GLN HE22 . 6936 1 440 . 2 2 15 15 GLN C C 13 172.707 0.4 . 1 . . . . 183 GLN CO . 6936 1 441 . 2 2 15 15 GLN CA C 13 55.896 0.4 . 1 . . . . 183 GLN CA . 6936 1 442 . 2 2 15 15 GLN CB C 13 26.788 0.4 . 1 . . . . 183 GLN CB . 6936 1 443 . 2 2 15 15 GLN CG C 13 33.576 0.4 . 1 . . . . 183 GLN CG . 6936 1 444 . 2 2 15 15 GLN N N 15 122.809 0.1 . 1 . . . . 183 GLN N . 6936 1 445 . 2 2 15 15 GLN NE2 N 15 112.857 0.1 . 1 . . . . 183 GLN NE2 . 6936 1 446 . 2 2 16 16 TYR H H 1 8.222 0.02 . 1 . . . . 184 TYR HN . 6936 1 447 . 2 2 16 16 TYR HA H 1 5.61 0.02 . 1 . . . . 184 TYR HA . 6936 1 448 . 2 2 16 16 TYR HB2 H 1 2.437 0.02 . 2 . . . . 184 TYR HB1 . 6936 1 449 . 2 2 16 16 TYR HB3 H 1 2.655 0.02 . 2 . . . . 184 TYR HB2 . 6936 1 450 . 2 2 16 16 TYR HD1 H 1 6.66 0.02 . 1 . . . . 184 TYR HD# . 6936 1 451 . 2 2 16 16 TYR HD2 H 1 6.66 0.02 . 1 . . . . 184 TYR HD# . 6936 1 452 . 2 2 16 16 TYR HE1 H 1 6.563 0.02 . 1 . . . . 184 TYR HE# . 6936 1 453 . 2 2 16 16 TYR HE2 H 1 6.563 0.02 . 1 . . . . 184 TYR HE# . 6936 1 454 . 2 2 16 16 TYR C C 13 177.289 0.4 . 1 . . . . 184 TYR CO . 6936 1 455 . 2 2 16 16 TYR CA C 13 56.822 0.4 . 1 . . . . 184 TYR CA . 6936 1 456 . 2 2 16 16 TYR CB C 13 43.361 0.4 . 1 . . . . 184 TYR CB . 6936 1 457 . 2 2 16 16 TYR CD1 C 13 132.96 0.4 . 1 . . . . 184 TYR CD . 6936 1 458 . 2 2 16 16 TYR CD2 C 13 132.96 0.4 . 1 . . . . 184 TYR CD . 6936 1 459 . 2 2 16 16 TYR CE1 C 13 117.61 0.4 . 1 . . . . 184 TYR CE . 6936 1 460 . 2 2 16 16 TYR CE2 C 13 117.61 0.4 . 1 . . . . 184 TYR CE . 6936 1 461 . 2 2 16 16 TYR N N 15 121.836 0.1 . 1 . . . . 184 TYR N . 6936 1 462 . 2 2 17 17 VAL H H 1 9.241 0.02 . 1 . . . . 185 VAL HN . 6936 1 463 . 2 2 17 17 VAL HA H 1 5.37 0.02 . 1 . . . . 185 VAL HA . 6936 1 464 . 2 2 17 17 VAL HB H 1 2.168 0.02 . 1 . . . . 185 VAL HB . 6936 1 465 . 2 2 17 17 VAL HG11 H 1 0.863 0.02 . 2 . . . . 185 VAL HG1# . 6936 1 466 . 2 2 17 17 VAL HG12 H 1 0.863 0.02 . 2 . . . . 185 VAL HG1# . 6936 1 467 . 2 2 17 17 VAL HG13 H 1 0.863 0.02 . 2 . . . . 185 VAL HG1# . 6936 1 468 . 2 2 17 17 VAL HG21 H 1 0.916 0.02 . 2 . . . . 185 VAL HG2# . 6936 1 469 . 2 2 17 17 VAL HG22 H 1 0.916 0.02 . 2 . . . . 185 VAL HG2# . 6936 1 470 . 2 2 17 17 VAL HG23 H 1 0.916 0.02 . 2 . . . . 185 VAL HG2# . 6936 1 471 . 2 2 17 17 VAL C C 13 174.273 0.4 . 1 . . . . 185 VAL CO . 6936 1 472 . 2 2 17 17 VAL CA C 13 59.303 0.4 . 1 . . . . 185 VAL CA . 6936 1 473 . 2 2 17 17 VAL CB C 13 35.59 0.4 . 1 . . . . 185 VAL CB . 6936 1 474 . 2 2 17 17 VAL CG1 C 13 21.171 0.4 . 2 . . . . 185 VAL CG1 . 6936 1 475 . 2 2 17 17 VAL CG2 C 13 18.855 0.4 . 2 . . . . 185 VAL CG2 . 6936 1 476 . 2 2 17 17 VAL N N 15 116.063 0.1 . 1 . . . . 185 VAL N . 6936 1 477 . 2 2 18 18 MET H H 1 9.83 0.02 . 1 . . . . 186 MET HN . 6936 1 478 . 2 2 18 18 MET HA H 1 6.091 0.02 . 1 . . . . 186 MET HA . 6936 1 479 . 2 2 18 18 MET HB2 H 1 1.676 0.02 . 2 . . . . 186 MET HB1 . 6936 1 480 . 2 2 18 18 MET HB3 H 1 2.22 0.02 . 2 . . . . 186 MET HB2 . 6936 1 481 . 2 2 18 18 MET HG2 H 1 2.355 0.02 . 1 . . . . 186 MET HG# . 6936 1 482 . 2 2 18 18 MET HG3 H 1 2.355 0.02 . 1 . . . . 186 MET HG# . 6936 1 483 . 2 2 18 18 MET HE1 H 1 2.029 0.02 . 1 . . . . 186 MET HE# . 6936 1 484 . 2 2 18 18 MET HE2 H 1 2.029 0.02 . 1 . . . . 186 MET HE# . 6936 1 485 . 2 2 18 18 MET HE3 H 1 2.029 0.02 . 1 . . . . 186 MET HE# . 6936 1 486 . 2 2 18 18 MET C C 13 174.551 0.4 . 1 . . . . 186 MET CO . 6936 1 487 . 2 2 18 18 MET CA C 13 53.345 0.4 . 1 . . . . 186 MET CA . 6936 1 488 . 2 2 18 18 MET CB C 13 36.717 0.4 . 1 . . . . 186 MET CB . 6936 1 489 . 2 2 18 18 MET CG C 13 32.164 0.4 . 1 . . . . 186 MET CG . 6936 1 490 . 2 2 18 18 MET CE C 13 19.34 0.4 . 1 . . . . 186 MET CE . 6936 1 491 . 2 2 18 18 MET N N 15 117.13 0.1 . 1 . . . . 186 MET N . 6936 1 492 . 2 2 19 19 SER H H 1 8.146 0.02 . 1 . . . . 187 SER HN . 6936 1 493 . 2 2 19 19 SER HA H 1 4.163 0.02 . 1 . . . . 187 SER HA . 6936 1 494 . 2 2 19 19 SER HB2 H 1 2.251 0.02 . 2 . . . . 187 SER HB1 . 6936 1 495 . 2 2 19 19 SER HB3 H 1 3.831 0.02 . 2 . . . . 187 SER HB2 . 6936 1 496 . 2 2 19 19 SER C C 13 174.574 0.4 . 1 . . . . 187 SER CO . 6936 1 497 . 2 2 19 19 SER CA C 13 57.776 0.4 . 1 . . . . 187 SER CA . 6936 1 498 . 2 2 19 19 SER CB C 13 63.647 0.4 . 1 . . . . 187 SER CB . 6936 1 499 . 2 2 19 19 SER N N 15 116.889 0.1 . 1 . . . . 187 SER N . 6936 1 500 . 2 2 20 20 GLU H H 1 8.666 0.02 . 1 . . . . 188 GLU HN . 6936 1 501 . 2 2 20 20 GLU HA H 1 4.662 0.02 . 1 . . . . 188 GLU HA . 6936 1 502 . 2 2 20 20 GLU HB2 H 1 1.603 0.02 . 2 . . . . 188 GLU HB1 . 6936 1 503 . 2 2 20 20 GLU HB3 H 1 2.161 0.02 . 2 . . . . 188 GLU HB2 . 6936 1 504 . 2 2 20 20 GLU HG2 H 1 2.072 0.02 . 1 . . . . 188 GLU HG# . 6936 1 505 . 2 2 20 20 GLU HG3 H 1 2.072 0.02 . 1 . . . . 188 GLU HG# . 6936 1 506 . 2 2 20 20 GLU C C 13 175.322 0.4 . 1 . . . . 188 GLU CO . 6936 1 507 . 2 2 20 20 GLU CA C 13 55.783 0.4 . 1 . . . . 188 GLU CA . 6936 1 508 . 2 2 20 20 GLU CB C 13 31.608 0.4 . 1 . . . . 188 GLU CB . 6936 1 509 . 2 2 20 20 GLU CG C 13 38.202 0.4 . 1 . . . . 188 GLU CG . 6936 1 510 . 2 2 20 20 GLU N N 15 126.586 0.1 . 1 . . . . 188 GLU N . 6936 1 511 . 2 2 21 21 GLN H H 1 8.484 0.02 . 1 . . . . 189 GLN HN . 6936 1 512 . 2 2 21 21 GLN HA H 1 4.957 0.02 . 1 . . . . 189 GLN HA . 6936 1 513 . 2 2 21 21 GLN HB2 H 1 1.782 0.02 . 2 . . . . 189 GLN HB1 . 6936 1 514 . 2 2 21 21 GLN HB3 H 1 2.313 0.02 . 2 . . . . 189 GLN HB2 . 6936 1 515 . 2 2 21 21 GLN HG2 H 1 2.065 0.02 . 2 . . . . 189 GLN HG1 . 6936 1 516 . 2 2 21 21 GLN HG3 H 1 2.746 0.02 . 2 . . . . 189 GLN HG2 . 6936 1 517 . 2 2 21 21 GLN HE21 H 1 7.895 0.02 . 2 . . . . 189 GLN HE21 . 6936 1 518 . 2 2 21 21 GLN HE22 H 1 8.166 0.02 . 2 . . . . 189 GLN HE22 . 6936 1 519 . 2 2 21 21 GLN C C 13 174.657 0.4 . 1 . . . . 189 GLN CO . 6936 1 520 . 2 2 21 21 GLN CA C 13 52.564 0.4 . 1 . . . . 189 GLN CA . 6936 1 521 . 2 2 21 21 GLN CB C 13 34.052 0.4 . 1 . . . . 189 GLN CB . 6936 1 522 . 2 2 21 21 GLN CG C 13 36.515 0.4 . 1 . . . . 189 GLN CG . 6936 1 523 . 2 2 21 21 GLN N N 15 128.562 0.1 . 1 . . . . 189 GLN N . 6936 1 524 . 2 2 21 21 GLN NE2 N 15 116.824 0.1 . 1 . . . . 189 GLN NE2 . 6936 1 525 . 2 2 22 22 PRO HA H 1 4.145 0.02 . 1 . . . . 190 PRO HA . 6936 1 526 . 2 2 22 22 PRO HB2 H 1 2.036 0.02 . 2 . . . . 190 PRO HB1 . 6936 1 527 . 2 2 22 22 PRO HB3 H 1 2.341 0.02 . 2 . . . . 190 PRO HB2 . 6936 1 528 . 2 2 22 22 PRO HG2 H 1 2.075 0.02 . 2 . . . . 190 PRO HG1 . 6936 1 529 . 2 2 22 22 PRO HG3 H 1 2.194 0.02 . 2 . . . . 190 PRO HG2 . 6936 1 530 . 2 2 22 22 PRO HD2 H 1 3.865 0.02 . 2 . . . . 190 PRO HD1 . 6936 1 531 . 2 2 22 22 PRO HD3 H 1 3.974 0.02 . 2 . . . . 190 PRO HD2 . 6936 1 532 . 2 2 22 22 PRO C C 13 178.714 0.4 . 1 . . . . 190 PRO CO . 6936 1 533 . 2 2 22 22 PRO CA C 13 65.678 0.4 . 1 . . . . 190 PRO CA . 6936 1 534 . 2 2 22 22 PRO CB C 13 32.214 0.4 . 1 . . . . 190 PRO CB . 6936 1 535 . 2 2 22 22 PRO CG C 13 27.499 0.4 . 1 . . . . 190 PRO CG . 6936 1 536 . 2 2 22 22 PRO CD C 13 51.183 0.4 . 1 . . . . 190 PRO CD . 6936 1 537 . 2 2 23 23 GLU H H 1 10.323 0.02 . 1 . . . . 191 GLU HN . 6936 1 538 . 2 2 23 23 GLU HA H 1 4.265 0.02 . 1 . . . . 191 GLU HA . 6936 1 539 . 2 2 23 23 GLU HB2 H 1 2.089 0.02 . 1 . . . . 191 GLU HB# . 6936 1 540 . 2 2 23 23 GLU HB3 H 1 2.089 0.02 . 1 . . . . 191 GLU HB# . 6936 1 541 . 2 2 23 23 GLU HG2 H 1 2.313 0.02 . 2 . . . . 191 GLU HG1 . 6936 1 542 . 2 2 23 23 GLU HG3 H 1 2.421 0.02 . 2 . . . . 191 GLU HG2 . 6936 1 543 . 2 2 23 23 GLU C C 13 177.688 0.4 . 1 . . . . 191 GLU CO . 6936 1 544 . 2 2 23 23 GLU CA C 13 58.65 0.4 . 1 . . . . 191 GLU CA . 6936 1 545 . 2 2 23 23 GLU CB C 13 28.338 0.4 . 1 . . . . 191 GLU CB . 6936 1 546 . 2 2 23 23 GLU CG C 13 36.144 0.4 . 1 . . . . 191 GLU CG . 6936 1 547 . 2 2 23 23 GLU N N 15 117.746 0.1 . 1 . . . . 191 GLU N . 6936 1 548 . 2 2 24 24 MET H H 1 8.133 0.02 . 1 . . . . 192 MET HN . 6936 1 549 . 2 2 24 24 MET HA H 1 4.398 0.02 . 1 . . . . 192 MET HA . 6936 1 550 . 2 2 24 24 MET HB2 H 1 2.126 0.02 . 2 . . . . 192 MET HB1 . 6936 1 551 . 2 2 24 24 MET HB3 H 1 2.237 0.02 . 2 . . . . 192 MET HB2 . 6936 1 552 . 2 2 24 24 MET HG2 H 1 2.348 0.02 . 2 . . . . 192 MET HG1 . 6936 1 553 . 2 2 24 24 MET HG3 H 1 2.919 0.02 . 2 . . . . 192 MET HG2 . 6936 1 554 . 2 2 24 24 MET HE1 H 1 2.181 0.02 . 1 . . . . 192 MET HE# . 6936 1 555 . 2 2 24 24 MET HE2 H 1 2.181 0.02 . 1 . . . . 192 MET HE# . 6936 1 556 . 2 2 24 24 MET HE3 H 1 2.181 0.02 . 1 . . . . 192 MET HE# . 6936 1 557 . 2 2 24 24 MET C C 13 176.245 0.4 . 1 . . . . 192 MET CO . 6936 1 558 . 2 2 24 24 MET CA C 13 52.85 0.4 . 1 . . . . 192 MET CA . 6936 1 559 . 2 2 24 24 MET CB C 13 31.181 0.4 . 1 . . . . 192 MET CB . 6936 1 560 . 2 2 24 24 MET CG C 13 34.399 0.4 . 1 . . . . 192 MET CG . 6936 1 561 . 2 2 24 24 MET CE C 13 18.092 0.4 . 1 . . . . 192 MET CE . 6936 1 562 . 2 2 24 24 MET N N 15 116.281 0.1 . 1 . . . . 192 MET N . 6936 1 563 . 2 2 25 25 ARG H H 1 7.196 0.02 . 1 . . . . 193 ARG HN . 6936 1 564 . 2 2 25 25 ARG HA H 1 3.669 0.02 . 1 . . . . 193 ARG HA . 6936 1 565 . 2 2 25 25 ARG HB2 H 1 1.848 0.02 . 1 . . . . 193 ARG HB# . 6936 1 566 . 2 2 25 25 ARG HB3 H 1 1.848 0.02 . 1 . . . . 193 ARG HB# . 6936 1 567 . 2 2 25 25 ARG HG2 H 1 1.753 0.02 . 2 . . . . 193 ARG HG1 . 6936 1 568 . 2 2 25 25 ARG HG3 H 1 1.811 0.02 . 2 . . . . 193 ARG HG2 . 6936 1 569 . 2 2 25 25 ARG HD2 H 1 3.18 0.02 . 1 . . . . 193 ARG HD# . 6936 1 570 . 2 2 25 25 ARG HD3 H 1 3.18 0.02 . 1 . . . . 193 ARG HD# . 6936 1 571 . 2 2 25 25 ARG C C 13 178.078 0.4 . 1 . . . . 193 ARG CO . 6936 1 572 . 2 2 25 25 ARG CA C 13 59.845 0.4 . 1 . . . . 193 ARG CA . 6936 1 573 . 2 2 25 25 ARG CB C 13 30.402 0.4 . 1 . . . . 193 ARG CB . 6936 1 574 . 2 2 25 25 ARG CG C 13 27.475 0.4 . 1 . . . . 193 ARG CG . 6936 1 575 . 2 2 25 25 ARG CD C 13 43.209 0.4 . 1 . . . . 193 ARG CD . 6936 1 576 . 2 2 25 25 ARG N N 15 117.748 0.1 . 1 . . . . 193 ARG N . 6936 1 577 . 2 2 26 26 SER H H 1 8.611 0.02 . 1 . . . . 194 SER HN . 6936 1 578 . 2 2 26 26 SER HA H 1 4.17 0.02 . 1 . . . . 194 SER HA . 6936 1 579 . 2 2 26 26 SER HB2 H 1 3.828 0.02 . 2 . . . . 194 SER HB1 . 6936 1 580 . 2 2 26 26 SER HB3 H 1 3.922 0.02 . 2 . . . . 194 SER HB2 . 6936 1 581 . 2 2 26 26 SER C C 13 176.034 0.4 . 1 . . . . 194 SER CO . 6936 1 582 . 2 2 26 26 SER CA C 13 61.231 0.4 . 1 . . . . 194 SER CA . 6936 1 583 . 2 2 26 26 SER CB C 13 62.467 0.4 . 1 . . . . 194 SER CB . 6936 1 584 . 2 2 26 26 SER N N 15 113.138 0.1 . 1 . . . . 194 SER N . 6936 1 585 . 2 2 27 27 ILE H H 1 7.324 0.02 . 1 . . . . 195 ILE HN . 6936 1 586 . 2 2 27 27 ILE HA H 1 4.623 0.02 . 1 . . . . 195 ILE HA . 6936 1 587 . 2 2 27 27 ILE HB H 1 2.014 0.02 . 1 . . . . 195 ILE HB . 6936 1 588 . 2 2 27 27 ILE HG12 H 1 0.688 0.02 . 2 . . . . 195 ILE HG11 . 6936 1 589 . 2 2 27 27 ILE HG13 H 1 1.358 0.02 . 2 . . . . 195 ILE HG12 . 6936 1 590 . 2 2 27 27 ILE HG21 H 1 0.715 0.02 . 1 . . . . 195 ILE HG2# . 6936 1 591 . 2 2 27 27 ILE HG22 H 1 0.715 0.02 . 1 . . . . 195 ILE HG2# . 6936 1 592 . 2 2 27 27 ILE HG23 H 1 0.715 0.02 . 1 . . . . 195 ILE HG2# . 6936 1 593 . 2 2 27 27 ILE HD11 H 1 0.554 0.02 . 1 . . . . 195 ILE HD1# . 6936 1 594 . 2 2 27 27 ILE HD12 H 1 0.554 0.02 . 1 . . . . 195 ILE HD1# . 6936 1 595 . 2 2 27 27 ILE HD13 H 1 0.554 0.02 . 1 . . . . 195 ILE HD1# . 6936 1 596 . 2 2 27 27 ILE C C 13 173.971 0.4 . 1 . . . . 195 ILE CO . 6936 1 597 . 2 2 27 27 ILE CA C 13 60.726 0.4 . 1 . . . . 195 ILE CA . 6936 1 598 . 2 2 27 27 ILE CB C 13 38.21 0.4 . 1 . . . . 195 ILE CB . 6936 1 599 . 2 2 27 27 ILE CG1 C 13 26.496 0.4 . 1 . . . . 195 ILE CG1 . 6936 1 600 . 2 2 27 27 ILE CG2 C 13 19.282 0.4 . 1 . . . . 195 ILE CG2 . 6936 1 601 . 2 2 27 27 ILE CD1 C 13 16.486 0.4 . 1 . . . . 195 ILE CD1 . 6936 1 602 . 2 2 27 27 ILE N N 15 112.318 0.1 . 1 . . . . 195 ILE N . 6936 1 603 . 2 2 28 28 GLN H H 1 7.136 0.02 . 1 . . . . 196 GLN HN . 6936 1 604 . 2 2 28 28 GLN HA H 1 4.319 0.02 . 1 . . . . 196 GLN HA . 6936 1 605 . 2 2 28 28 GLN HB2 H 1 1.769 0.02 . 2 . . . . 196 GLN HB1 . 6936 1 606 . 2 2 28 28 GLN HB3 H 1 2.114 0.02 . 2 . . . . 196 GLN HB2 . 6936 1 607 . 2 2 28 28 GLN HG2 H 1 2.59 0.02 . 2 . . . . 196 GLN HG1 . 6936 1 608 . 2 2 28 28 GLN HG3 H 1 2.673 0.02 . 2 . . . . 196 GLN HG2 . 6936 1 609 . 2 2 28 28 GLN HE21 H 1 7.401 0.02 . 2 . . . . 196 GLN HE21 . 6936 1 610 . 2 2 28 28 GLN HE22 H 1 7.919 0.02 . 2 . . . . 196 GLN HE22 . 6936 1 611 . 2 2 28 28 GLN C C 13 174.919 0.4 . 1 . . . . 196 GLN CO . 6936 1 612 . 2 2 28 28 GLN CA C 13 54.058 0.4 . 1 . . . . 196 GLN CA . 6936 1 613 . 2 2 28 28 GLN CB C 13 27.561 0.4 . 1 . . . . 196 GLN CB . 6936 1 614 . 2 2 28 28 GLN CG C 13 35.053 0.4 . 1 . . . . 196 GLN CG . 6936 1 615 . 2 2 28 28 GLN N N 15 118.523 0.1 . 1 . . . . 196 GLN N . 6936 1 616 . 2 2 28 28 GLN NE2 N 15 111.212 0.1 . 1 . . . . 196 GLN NE2 . 6936 1 617 . 2 2 29 29 PRO HA H 1 4.125 0.02 . 1 . . . . 197 PRO HA . 6936 1 618 . 2 2 29 29 PRO HB2 H 1 1.267 0.02 . 2 . . . . 197 PRO HB1 . 6936 1 619 . 2 2 29 29 PRO HB3 H 1 1.485 0.02 . 2 . . . . 197 PRO HB2 . 6936 1 620 . 2 2 29 29 PRO HG2 H 1 1.564 0.02 . 2 . . . . 197 PRO HG1 . 6936 1 621 . 2 2 29 29 PRO HG3 H 1 1.889 0.02 . 2 . . . . 197 PRO HG2 . 6936 1 622 . 2 2 29 29 PRO HD2 H 1 3.799 0.02 . 2 . . . . 197 PRO HD1 . 6936 1 623 . 2 2 29 29 PRO HD3 H 1 3.913 0.02 . 2 . . . . 197 PRO HD2 . 6936 1 624 . 2 2 29 29 PRO C C 13 175.22 0.4 . 1 . . . . 197 PRO CO . 6936 1 625 . 2 2 29 29 PRO CA C 13 61.74 0.4 . 1 . . . . 197 PRO CA . 6936 1 626 . 2 2 29 29 PRO CB C 13 31.314 0.4 . 1 . . . . 197 PRO CB . 6936 1 627 . 2 2 29 29 PRO CG C 13 27.101 0.4 . 1 . . . . 197 PRO CG . 6936 1 628 . 2 2 29 29 PRO CD C 13 49.786 0.4 . 1 . . . . 197 PRO CD . 6936 1 629 . 2 2 30 30 VAL H H 1 8.792 0.02 . 1 . . . . 198 VAL HN . 6936 1 630 . 2 2 30 30 VAL HA H 1 3.697 0.02 . 1 . . . . 198 VAL HA . 6936 1 631 . 2 2 30 30 VAL HB H 1 1.385 0.02 . 1 . . . . 198 VAL HB . 6936 1 632 . 2 2 30 30 VAL HG11 H 1 0.46 0.02 . 2 . . . . 198 VAL HG1# . 6936 1 633 . 2 2 30 30 VAL HG12 H 1 0.46 0.02 . 2 . . . . 198 VAL HG1# . 6936 1 634 . 2 2 30 30 VAL HG13 H 1 0.46 0.02 . 2 . . . . 198 VAL HG1# . 6936 1 635 . 2 2 30 30 VAL HG21 H 1 0.716 0.02 . 2 . . . . 198 VAL HG2# . 6936 1 636 . 2 2 30 30 VAL HG22 H 1 0.716 0.02 . 2 . . . . 198 VAL HG2# . 6936 1 637 . 2 2 30 30 VAL HG23 H 1 0.716 0.02 . 2 . . . . 198 VAL HG2# . 6936 1 638 . 2 2 30 30 VAL C C 13 174.811 0.4 . 1 . . . . 198 VAL CO . 6936 1 639 . 2 2 30 30 VAL CA C 13 63.243 0.4 . 1 . . . . 198 VAL CA . 6936 1 640 . 2 2 30 30 VAL CB C 13 32.999 0.4 . 1 . . . . 198 VAL CB . 6936 1 641 . 2 2 30 30 VAL CG1 C 13 20.754 0.4 . 2 . . . . 198 VAL CG1 . 6936 1 642 . 2 2 30 30 VAL CG2 C 13 20.748 0.4 . 2 . . . . 198 VAL CG2 . 6936 1 643 . 2 2 30 30 VAL N N 15 118.638 0.1 . 1 . . . . 198 VAL N . 6936 1 644 . 2 2 31 31 HIS H H 1 7.037 0.02 . 1 . . . . 199 HIS HN . 6936 1 645 . 2 2 31 31 HIS HA H 1 5.363 0.02 . 1 . . . . 199 HIS HA . 6936 1 646 . 2 2 31 31 HIS HB2 H 1 3.003 0.02 . 1 . . . . 199 HIS HB# . 6936 1 647 . 2 2 31 31 HIS HB3 H 1 3.003 0.02 . 1 . . . . 199 HIS HB# . 6936 1 648 . 2 2 31 31 HIS HD2 H 1 7.005 0.02 . 1 . . . . 199 HIS HD2 . 6936 1 649 . 2 2 31 31 HIS HE1 H 1 8.29 0.02 . 1 . . . . 199 HIS HE1 . 6936 1 650 . 2 2 31 31 HIS C C 13 174.247 0.4 . 1 . . . . 199 HIS CO . 6936 1 651 . 2 2 31 31 HIS CA C 13 54.981 0.4 . 1 . . . . 199 HIS CA . 6936 1 652 . 2 2 31 31 HIS CB C 13 34.521 0.4 . 1 . . . . 199 HIS CB . 6936 1 653 . 2 2 31 31 HIS CD2 C 13 119.69 0.4 . 1 . . . . 199 HIS CD2 . 6936 1 654 . 2 2 31 31 HIS CE1 C 13 136.52 0.4 . 1 . . . . 199 HIS CE1 . 6936 1 655 . 2 2 31 31 HIS N N 15 108.975 0.1 . 1 . . . . 199 HIS N . 6936 1 656 . 2 2 32 32 VAL H H 1 8.181 0.02 . 1 . . . . 200 VAL HN . 6936 1 657 . 2 2 32 32 VAL HA H 1 4.689 0.02 . 1 . . . . 200 VAL HA . 6936 1 658 . 2 2 32 32 VAL HB H 1 0.977 0.02 . 1 . . . . 200 VAL HB . 6936 1 659 . 2 2 32 32 VAL HG11 H 1 -0.907 0.02 . 2 . . . . 200 VAL HG1# . 6936 1 660 . 2 2 32 32 VAL HG12 H 1 -0.907 0.02 . 2 . . . . 200 VAL HG1# . 6936 1 661 . 2 2 32 32 VAL HG13 H 1 -0.907 0.02 . 2 . . . . 200 VAL HG1# . 6936 1 662 . 2 2 32 32 VAL HG21 H 1 0.553 0.02 . 2 . . . . 200 VAL HG2# . 6936 1 663 . 2 2 32 32 VAL HG22 H 1 0.553 0.02 . 2 . . . . 200 VAL HG2# . 6936 1 664 . 2 2 32 32 VAL HG23 H 1 0.553 0.02 . 2 . . . . 200 VAL HG2# . 6936 1 665 . 2 2 32 32 VAL C C 13 172.761 0.4 . 1 . . . . 200 VAL CO . 6936 1 666 . 2 2 32 32 VAL CA C 13 61.439 0.4 . 1 . . . . 200 VAL CA . 6936 1 667 . 2 2 32 32 VAL CB C 13 35.827 0.4 . 1 . . . . 200 VAL CB . 6936 1 668 . 2 2 32 32 VAL CG1 C 13 19.665 0.4 . 2 . . . . 200 VAL CG1 . 6936 1 669 . 2 2 32 32 VAL CG2 C 13 24.539 0.4 . 2 . . . . 200 VAL CG2 . 6936 1 670 . 2 2 32 32 VAL N N 15 121.453 0.1 . 1 . . . . 200 VAL N . 6936 1 671 . 2 2 33 33 TRP H H 1 8.229 0.02 . 1 . . . . 201 TRP HN . 6936 1 672 . 2 2 33 33 TRP HA H 1 5.224 0.02 . 1 . . . . 201 TRP HA . 6936 1 673 . 2 2 33 33 TRP HB2 H 1 2.779 0.02 . 2 . . . . 201 TRP HB1 . 6936 1 674 . 2 2 33 33 TRP HB3 H 1 3.331 0.02 . 2 . . . . 201 TRP HB2 . 6936 1 675 . 2 2 33 33 TRP HD1 H 1 6.506 0.02 . 1 . . . . 201 TRP HD1 . 6936 1 676 . 2 2 33 33 TRP HE1 H 1 10.481 0.02 . 1 . . . . 201 TRP HE1 . 6936 1 677 . 2 2 33 33 TRP HE3 H 1 7.536 0.02 . 1 . . . . 201 TRP HE3 . 6936 1 678 . 2 2 33 33 TRP HZ2 H 1 7.466 0.02 . 1 . . . . 201 TRP HZ2 . 6936 1 679 . 2 2 33 33 TRP HZ3 H 1 6.719 0.02 . 1 . . . . 201 TRP HZ3 . 6936 1 680 . 2 2 33 33 TRP HH2 H 1 6.967 0.02 . 1 . . . . 201 TRP HH2 . 6936 1 681 . 2 2 33 33 TRP C C 13 171.878 0.4 . 1 . . . . 201 TRP CO . 6936 1 682 . 2 2 33 33 TRP CA C 13 56.286 0.4 . 1 . . . . 201 TRP CA . 6936 1 683 . 2 2 33 33 TRP CB C 13 32.94 0.4 . 1 . . . . 201 TRP CB . 6936 1 684 . 2 2 33 33 TRP CD1 C 13 126.41 0.4 . 1 . . . . 201 TRP CD1 . 6936 1 685 . 2 2 33 33 TRP CE3 C 13 122.82 0.4 . 1 . . . . 201 TRP CE3 . 6936 1 686 . 2 2 33 33 TRP CZ2 C 13 114.71 0.4 . 1 . . . . 201 TRP CZ2 . 6936 1 687 . 2 2 33 33 TRP CZ3 C 13 121.57 0.4 . 1 . . . . 201 TRP CZ3 . 6936 1 688 . 2 2 33 33 TRP CH2 C 13 123.66 0.4 . 1 . . . . 201 TRP CH2 . 6936 1 689 . 2 2 33 33 TRP N N 15 124.167 0.1 . 1 . . . . 201 TRP N . 6936 1 690 . 2 2 33 33 TRP NE1 N 15 129.891 0.1 . 1 . . . . 201 TRP NE1 . 6936 1 691 . 2 2 34 34 ASP H H 1 8.721 0.02 . 1 . . . . 202 ASP HN . 6936 1 692 . 2 2 34 34 ASP HA H 1 5.498 0.02 . 1 . . . . 202 ASP HA . 6936 1 693 . 2 2 34 34 ASP HB2 H 1 2.597 0.02 . 2 . . . . 202 ASP HB1 . 6936 1 694 . 2 2 34 34 ASP HB3 H 1 2.944 0.02 . 2 . . . . 202 ASP HB2 . 6936 1 695 . 2 2 34 34 ASP C C 13 174.141 0.4 . 1 . . . . 202 ASP CO . 6936 1 696 . 2 2 34 34 ASP CA C 13 52.997 0.4 . 1 . . . . 202 ASP CA . 6936 1 697 . 2 2 34 34 ASP CB C 13 47.334 0.4 . 1 . . . . 202 ASP CB . 6936 1 698 . 2 2 34 34 ASP N N 15 115.446 0.1 . 1 . . . . 202 ASP N . 6936 1 699 . 2 2 35 35 ASN H H 1 8.362 0.02 . 1 . . . . 203 ASN HN . 6936 1 700 . 2 2 35 35 ASN HA H 1 5.375 0.02 . 1 . . . . 203 ASN HA . 6936 1 701 . 2 2 35 35 ASN HB2 H 1 2.294 0.02 . 2 . . . . 203 ASN HB1 . 6936 1 702 . 2 2 35 35 ASN HB3 H 1 3.353 0.02 . 2 . . . . 203 ASN HB2 . 6936 1 703 . 2 2 35 35 ASN HD21 H 1 6.496 0.02 . 2 . . . . 203 ASN HD21 . 6936 1 704 . 2 2 35 35 ASN HD22 H 1 7.799 0.02 . 2 . . . . 203 ASN HD22 . 6936 1 705 . 2 2 35 35 ASN C C 13 177.226 0.4 . 1 . . . . 203 ASN CO . 6936 1 706 . 2 2 35 35 ASN CA C 13 51.478 0.4 . 1 . . . . 203 ASN CA . 6936 1 707 . 2 2 35 35 ASN CB C 13 38.557 0.4 . 1 . . . . 203 ASN CB . 6936 1 708 . 2 2 35 35 ASN N N 15 121.117 0.1 . 1 . . . . 203 ASN N . 6936 1 709 . 2 2 35 35 ASN ND2 N 15 110.806 0.1 . 1 . . . . 203 ASN ND2 . 6936 1 710 . 2 2 36 36 TYR H H 1 10.105 0.02 . 1 . . . . 204 TYR HN . 6936 1 711 . 2 2 36 36 TYR HA H 1 3.697 0.02 . 1 . . . . 204 TYR HA . 6936 1 712 . 2 2 36 36 TYR HB2 H 1 3.134 0.02 . 2 . . . . 204 TYR HB1 . 6936 1 713 . 2 2 36 36 TYR HB3 H 1 3.514 0.02 . 2 . . . . 204 TYR HB2 . 6936 1 714 . 2 2 36 36 TYR HD1 H 1 7.034 0.02 . 1 . . . . 204 TYR HD# . 6936 1 715 . 2 2 36 36 TYR HD2 H 1 7.034 0.02 . 1 . . . . 204 TYR HD# . 6936 1 716 . 2 2 36 36 TYR HE1 H 1 6.565 0.02 . 1 . . . . 204 TYR HE# . 6936 1 717 . 2 2 36 36 TYR HE2 H 1 6.565 0.02 . 1 . . . . 204 TYR HE# . 6936 1 718 . 2 2 36 36 TYR C C 13 174.177 0.4 . 1 . . . . 204 TYR CO . 6936 1 719 . 2 2 36 36 TYR CA C 13 61.784 0.4 . 1 . . . . 204 TYR CA . 6936 1 720 . 2 2 36 36 TYR CB C 13 34.97 0.4 . 1 . . . . 204 TYR CB . 6936 1 721 . 2 2 36 36 TYR CD1 C 13 133.77 0.4 . 1 . . . . 204 TYR CD . 6936 1 722 . 2 2 36 36 TYR CD2 C 13 133.77 0.4 . 1 . . . . 204 TYR CD . 6936 1 723 . 2 2 36 36 TYR CE1 C 13 117.61 0.4 . 1 . . . . 204 TYR CE . 6936 1 724 . 2 2 36 36 TYR CE2 C 13 117.61 0.4 . 1 . . . . 204 TYR CE . 6936 1 725 . 2 2 36 36 TYR N N 15 115.525 0.1 . 1 . . . . 204 TYR N . 6936 1 726 . 2 2 37 37 ARG H H 1 7.61 0.02 . 1 . . . . 205 ARG HN . 6936 1 727 . 2 2 37 37 ARG HA H 1 4.383 0.02 . 1 . . . . 205 ARG HA . 6936 1 728 . 2 2 37 37 ARG HB2 H 1 1.526 0.02 . 1 . . . . 205 ARG HB# . 6936 1 729 . 2 2 37 37 ARG HB3 H 1 1.526 0.02 . 1 . . . . 205 ARG HB# . 6936 1 730 . 2 2 37 37 ARG HG2 H 1 1.223 0.02 . 2 . . . . 205 ARG HG1 . 6936 1 731 . 2 2 37 37 ARG HG3 H 1 1.405 0.02 . 2 . . . . 205 ARG HG2 . 6936 1 732 . 2 2 37 37 ARG HD2 H 1 2.992 0.02 . 1 . . . . 205 ARG HD# . 6936 1 733 . 2 2 37 37 ARG HD3 H 1 2.992 0.02 . 1 . . . . 205 ARG HD# . 6936 1 734 . 2 2 37 37 ARG C C 13 174.056 0.4 . 1 . . . . 205 ARG CO . 6936 1 735 . 2 2 37 37 ARG CA C 13 58.365 0.4 . 1 . . . . 205 ARG CA . 6936 1 736 . 2 2 37 37 ARG CB C 13 32.559 0.4 . 1 . . . . 205 ARG CB . 6936 1 737 . 2 2 37 37 ARG CG C 13 27.231 0.4 . 1 . . . . 205 ARG CG . 6936 1 738 . 2 2 37 37 ARG CD C 13 43.203 0.4 . 1 . . . . 205 ARG CD . 6936 1 739 . 2 2 37 37 ARG N N 15 119.047 0.1 . 1 . . . . 205 ARG N . 6936 1 740 . 2 2 38 38 PHE H H 1 8.959 0.02 . 1 . . . . 206 PHE HN . 6936 1 741 . 2 2 38 38 PHE HA H 1 5.336 0.02 . 1 . . . . 206 PHE HA . 6936 1 742 . 2 2 38 38 PHE HB2 H 1 3.011 0.02 . 1 . . . . 206 PHE HB# . 6936 1 743 . 2 2 38 38 PHE HB3 H 1 3.011 0.02 . 1 . . . . 206 PHE HB# . 6936 1 744 . 2 2 38 38 PHE HD1 H 1 7.088 0.02 . 1 . . . . 206 PHE HD# . 6936 1 745 . 2 2 38 38 PHE HD2 H 1 7.088 0.02 . 1 . . . . 206 PHE HD# . 6936 1 746 . 2 2 38 38 PHE HE1 H 1 7.214 0.02 . 1 . . . . 206 PHE HE# . 6936 1 747 . 2 2 38 38 PHE HE2 H 1 7.214 0.02 . 1 . . . . 206 PHE HE# . 6936 1 748 . 2 2 38 38 PHE C C 13 175.317 0.4 . 1 . . . . 206 PHE CO . 6936 1 749 . 2 2 38 38 PHE CA C 13 53.756 0.4 . 1 . . . . 206 PHE CA . 6936 1 750 . 2 2 38 38 PHE CB C 13 41.953 0.4 . 1 . . . . 206 PHE CB . 6936 1 751 . 2 2 38 38 PHE N N 15 117.791 0.1 . 1 . . . . 206 PHE N . 6936 1 752 . 2 2 39 39 THR H H 1 8.802 0.02 . 1 . . . . 207 THR HN . 6936 1 753 . 2 2 39 39 THR HA H 1 4.55 0.02 . 1 . . . . 207 THR HA . 6936 1 754 . 2 2 39 39 THR HB H 1 3.632 0.02 . 1 . . . . 207 THR HB . 6936 1 755 . 2 2 39 39 THR HG21 H 1 0.29 0.02 . 1 . . . . 207 THR HG2# . 6936 1 756 . 2 2 39 39 THR HG22 H 1 0.29 0.02 . 1 . . . . 207 THR HG2# . 6936 1 757 . 2 2 39 39 THR HG23 H 1 0.29 0.02 . 1 . . . . 207 THR HG2# . 6936 1 758 . 2 2 39 39 THR C C 13 172.861 0.4 . 1 . . . . 207 THR CO . 6936 1 759 . 2 2 39 39 THR CA C 13 62.115 0.4 . 1 . . . . 207 THR CA . 6936 1 760 . 2 2 39 39 THR CB C 13 70.881 0.4 . 1 . . . . 207 THR CB . 6936 1 761 . 2 2 39 39 THR CG2 C 13 21.974 0.4 . 1 . . . . 207 THR CG2 . 6936 1 762 . 2 2 39 39 THR N N 15 115.56 0.1 . 1 . . . . 207 THR N . 6936 1 763 . 2 2 40 40 ARG H H 1 8.684 0.02 . 1 . . . . 208 ARG HN . 6936 1 764 . 2 2 40 40 ARG HA H 1 4.913 0.02 . 1 . . . . 208 ARG HA . 6936 1 765 . 2 2 40 40 ARG HB2 H 1 -0.447 0.02 . 2 . . . . 208 ARG HB1 . 6936 1 766 . 2 2 40 40 ARG HB3 H 1 0.383 0.02 . 2 . . . . 208 ARG HB2 . 6936 1 767 . 2 2 40 40 ARG HG2 H 1 0.886 0.02 . 2 . . . . 208 ARG HG1 . 6936 1 768 . 2 2 40 40 ARG HG3 H 1 1.223 0.02 . 2 . . . . 208 ARG HG2 . 6936 1 769 . 2 2 40 40 ARG HD2 H 1 2.525 0.02 . 1 . . . . 208 ARG HD# . 6936 1 770 . 2 2 40 40 ARG HD3 H 1 2.525 0.02 . 1 . . . . 208 ARG HD# . 6936 1 771 . 2 2 40 40 ARG HE H 1 7.641 0.02 . 1 . . . . 208 ARG HE . 6936 1 772 . 2 2 40 40 ARG C C 13 172.84 0.4 . 1 . . . . 208 ARG CO . 6936 1 773 . 2 2 40 40 ARG CA C 13 54.816 0.4 . 1 . . . . 208 ARG CA . 6936 1 774 . 2 2 40 40 ARG CB C 13 32.521 0.4 . 1 . . . . 208 ARG CB . 6936 1 775 . 2 2 40 40 ARG CG C 13 29.739 0.4 . 1 . . . . 208 ARG CG . 6936 1 776 . 2 2 40 40 ARG CD C 13 43.787 0.4 . 1 . . . . 208 ARG CD . 6936 1 777 . 2 2 40 40 ARG N N 15 125.183 0.1 . 1 . . . . 208 ARG N . 6936 1 778 . 2 2 41 41 PHE H H 1 8.649 0.02 . 1 . . . . 209 PHE HN . 6936 1 779 . 2 2 41 41 PHE HA H 1 4.423 0.02 . 1 . . . . 209 PHE HA . 6936 1 780 . 2 2 41 41 PHE HB2 H 1 2.311 0.02 . 2 . . . . 209 PHE HB1 . 6936 1 781 . 2 2 41 41 PHE HB3 H 1 3.03 0.02 . 2 . . . . 209 PHE HB2 . 6936 1 782 . 2 2 41 41 PHE HD1 H 1 5.979 0.02 . 1 . . . . 209 PHE HD# . 6936 1 783 . 2 2 41 41 PHE HD2 H 1 5.979 0.02 . 1 . . . . 209 PHE HD# . 6936 1 784 . 2 2 41 41 PHE HE1 H 1 6.682 0.02 . 1 . . . . 209 PHE HE# . 6936 1 785 . 2 2 41 41 PHE HE2 H 1 6.682 0.02 . 1 . . . . 209 PHE HE# . 6936 1 786 . 2 2 41 41 PHE HZ H 1 7.141 0.02 . 1 . . . . 209 PHE HZ . 6936 1 787 . 2 2 41 41 PHE C C 13 173.133 0.4 . 1 . . . . 209 PHE CO . 6936 1 788 . 2 2 41 41 PHE CA C 13 55.647 0.4 . 1 . . . . 209 PHE CA . 6936 1 789 . 2 2 41 41 PHE CB C 13 42.51 0.4 . 1 . . . . 209 PHE CB . 6936 1 790 . 2 2 41 41 PHE CD1 C 13 130.14 0.4 . 1 . . . . 209 PHE CD . 6936 1 791 . 2 2 41 41 PHE CD2 C 13 130.14 0.4 . 1 . . . . 209 PHE CD . 6936 1 792 . 2 2 41 41 PHE CE1 C 13 131.54 0.4 . 1 . . . . 209 PHE CE . 6936 1 793 . 2 2 41 41 PHE CE2 C 13 131.54 0.4 . 1 . . . . 209 PHE CE . 6936 1 794 . 2 2 41 41 PHE N N 15 118.332 0.1 . 1 . . . . 209 PHE N . 6936 1 795 . 2 2 42 42 GLU H H 1 8.865 0.02 . 1 . . . . 210 GLU HN . 6936 1 796 . 2 2 42 42 GLU HA H 1 4.883 0.02 . 1 . . . . 210 GLU HA . 6936 1 797 . 2 2 42 42 GLU HB2 H 1 2.033 0.02 . 1 . . . . 210 GLU HB# . 6936 1 798 . 2 2 42 42 GLU HB3 H 1 2.033 0.02 . 1 . . . . 210 GLU HB# . 6936 1 799 . 2 2 42 42 GLU HG2 H 1 1.932 0.02 . 2 . . . . 210 GLU HG1 . 6936 1 800 . 2 2 42 42 GLU HG3 H 1 2.23 0.02 . 2 . . . . 210 GLU HG2 . 6936 1 801 . 2 2 42 42 GLU C C 13 174.224 0.4 . 1 . . . . 210 GLU CO . 6936 1 802 . 2 2 42 42 GLU CA C 13 54.812 0.4 . 1 . . . . 210 GLU CA . 6936 1 803 . 2 2 42 42 GLU CB C 13 32.877 0.4 . 1 . . . . 210 GLU CB . 6936 1 804 . 2 2 42 42 GLU CG C 13 35.638 0.4 . 1 . . . . 210 GLU CG . 6936 1 805 . 2 2 42 42 GLU N N 15 123.48 0.1 . 1 . . . . 210 GLU N . 6936 1 806 . 2 2 43 43 PHE H H 1 8.993 0.02 . 1 . . . . 211 PHE HN . 6936 1 807 . 2 2 43 43 PHE HA H 1 4.726 0.02 . 1 . . . . 211 PHE HA . 6936 1 808 . 2 2 43 43 PHE HB2 H 1 2.715 0.02 . 2 . . . . 211 PHE HB1 . 6936 1 809 . 2 2 43 43 PHE HB3 H 1 3.208 0.02 . 2 . . . . 211 PHE HB2 . 6936 1 810 . 2 2 43 43 PHE HD1 H 1 6.709 0.02 . 1 . . . . 211 PHE HD# . 6936 1 811 . 2 2 43 43 PHE HD2 H 1 6.709 0.02 . 1 . . . . 211 PHE HD# . 6936 1 812 . 2 2 43 43 PHE HE1 H 1 7.108 0.02 . 1 . . . . 211 PHE HE# . 6936 1 813 . 2 2 43 43 PHE HE2 H 1 7.108 0.02 . 1 . . . . 211 PHE HE# . 6936 1 814 . 2 2 43 43 PHE HZ H 1 7.168 0.02 . 1 . . . . 211 PHE HZ . 6936 1 815 . 2 2 43 43 PHE C C 13 172.373 0.4 . 1 . . . . 211 PHE CO . 6936 1 816 . 2 2 43 43 PHE CA C 13 57.533 0.4 . 1 . . . . 211 PHE CA . 6936 1 817 . 2 2 43 43 PHE CB C 13 38.996 0.4 . 1 . . . . 211 PHE CB . 6936 1 818 . 2 2 43 43 PHE CD1 C 13 127.43 0.4 . 1 . . . . 211 PHE CD . 6936 1 819 . 2 2 43 43 PHE CD2 C 13 127.43 0.4 . 1 . . . . 211 PHE CD . 6936 1 820 . 2 2 43 43 PHE N N 15 126.493 0.1 . 1 . . . . 211 PHE N . 6936 1 821 . 2 2 44 44 PRO HA H 1 4.367 0.02 . 1 . . . . 212 PRO HA . 6936 1 822 . 2 2 44 44 PRO HB2 H 1 1.791 0.02 . 2 . . . . 212 PRO HB1 . 6936 1 823 . 2 2 44 44 PRO HB3 H 1 2.378 0.02 . 2 . . . . 212 PRO HB2 . 6936 1 824 . 2 2 44 44 PRO HG2 H 1 1.893 0.02 . 2 . . . . 212 PRO HG1 . 6936 1 825 . 2 2 44 44 PRO HG3 H 1 2.255 0.02 . 2 . . . . 212 PRO HG2 . 6936 1 826 . 2 2 44 44 PRO HD2 H 1 3.838 0.02 . 1 . . . . 212 PRO HD# . 6936 1 827 . 2 2 44 44 PRO HD3 H 1 3.838 0.02 . 1 . . . . 212 PRO HD# . 6936 1 828 . 2 2 44 44 PRO C C 13 176.546 0.4 . 1 . . . . 212 PRO CO . 6936 1 829 . 2 2 44 44 PRO CA C 13 63.55 0.4 . 1 . . . . 212 PRO CA . 6936 1 830 . 2 2 44 44 PRO CB C 13 32.062 0.4 . 1 . . . . 212 PRO CB . 6936 1 831 . 2 2 44 44 PRO CG C 13 28.679 0.4 . 1 . . . . 212 PRO CG . 6936 1 832 . 2 2 44 44 PRO CD C 13 51.341 0.4 . 1 . . . . 212 PRO CD . 6936 1 833 . 2 2 45 45 ALA H H 1 8.707 0.02 . 1 . . . . 213 ALA HN . 6936 1 834 . 2 2 45 45 ALA HA H 1 4.034 0.02 . 1 . . . . 213 ALA HA . 6936 1 835 . 2 2 45 45 ALA HB1 H 1 1.338 0.02 . 1 . . . . 213 ALA HB# . 6936 1 836 . 2 2 45 45 ALA HB2 H 1 1.338 0.02 . 1 . . . . 213 ALA HB# . 6936 1 837 . 2 2 45 45 ALA HB3 H 1 1.338 0.02 . 1 . . . . 213 ALA HB# . 6936 1 838 . 2 2 45 45 ALA C C 13 177.796 0.4 . 1 . . . . 213 ALA CO . 6936 1 839 . 2 2 45 45 ALA CA C 13 53.54 0.4 . 1 . . . . 213 ALA CA . 6936 1 840 . 2 2 45 45 ALA CB C 13 18.38 0.4 . 1 . . . . 213 ALA CB . 6936 1 841 . 2 2 45 45 ALA N N 15 124.789 0.1 . 1 . . . . 213 ALA N . 6936 1 842 . 2 2 46 46 ASN H H 1 8.856 0.02 . 1 . . . . 214 ASN HN . 6936 1 843 . 2 2 46 46 ASN HA H 1 4.383 0.02 . 1 . . . . 214 ASN HA . 6936 1 844 . 2 2 46 46 ASN HB2 H 1 2.876 0.02 . 2 . . . . 214 ASN HB1 . 6936 1 845 . 2 2 46 46 ASN HB3 H 1 2.969 0.02 . 2 . . . . 214 ASN HB2 . 6936 1 846 . 2 2 46 46 ASN HD21 H 1 6.92 0.02 . 2 . . . . 214 ASN HD21 . 6936 1 847 . 2 2 46 46 ASN HD22 H 1 7.572 0.02 . 2 . . . . 214 ASN HD22 . 6936 1 848 . 2 2 46 46 ASN C C 13 174.065 0.4 . 1 . . . . 214 ASN CO . 6936 1 849 . 2 2 46 46 ASN CA C 13 54.287 0.4 . 1 . . . . 214 ASN CA . 6936 1 850 . 2 2 46 46 ASN CB C 13 37.576 0.4 . 1 . . . . 214 ASN CB . 6936 1 851 . 2 2 46 46 ASN N N 15 114.298 0.1 . 1 . . . . 214 ASN N . 6936 1 852 . 2 2 46 46 ASN ND2 N 15 113.528 0.1 . 1 . . . . 214 ASN ND2 . 6936 1 853 . 2 2 47 47 ALA H H 1 7.526 0.02 . 1 . . . . 215 ALA HN . 6936 1 854 . 2 2 47 47 ALA HA H 1 4.392 0.02 . 1 . . . . 215 ALA HA . 6936 1 855 . 2 2 47 47 ALA HB1 H 1 1.334 0.02 . 1 . . . . 215 ALA HB# . 6936 1 856 . 2 2 47 47 ALA HB2 H 1 1.334 0.02 . 1 . . . . 215 ALA HB# . 6936 1 857 . 2 2 47 47 ALA HB3 H 1 1.334 0.02 . 1 . . . . 215 ALA HB# . 6936 1 858 . 2 2 47 47 ALA C C 13 177.467 0.4 . 1 . . . . 215 ALA CO . 6936 1 859 . 2 2 47 47 ALA CA C 13 51.608 0.4 . 1 . . . . 215 ALA CA . 6936 1 860 . 2 2 47 47 ALA CB C 13 20.3 0.4 . 1 . . . . 215 ALA CB . 6936 1 861 . 2 2 47 47 ALA N N 15 121.83 0.1 . 1 . . . . 215 ALA N . 6936 1 862 . 2 2 48 48 GLU H H 1 8.205 0.02 . 1 . . . . 216 GLU HN . 6936 1 863 . 2 2 48 48 GLU HA H 1 3.988 0.02 . 1 . . . . 216 GLU HA . 6936 1 864 . 2 2 48 48 GLU HB2 H 1 1.699 0.02 . 2 . . . . 216 GLU HB1 . 6936 1 865 . 2 2 48 48 GLU HB3 H 1 1.755 0.02 . 2 . . . . 216 GLU HB2 . 6936 1 866 . 2 2 48 48 GLU HG2 H 1 2.05 0.02 . 2 . . . . 216 GLU HG1 . 6936 1 867 . 2 2 48 48 GLU HG3 H 1 2.141 0.02 . 2 . . . . 216 GLU HG2 . 6936 1 868 . 2 2 48 48 GLU C C 13 175.945 0.4 . 1 . . . . 216 GLU CO . 6936 1 869 . 2 2 48 48 GLU CA C 13 56.451 0.4 . 1 . . . . 216 GLU CA . 6936 1 870 . 2 2 48 48 GLU CB C 13 29.704 0.4 . 1 . . . . 216 GLU CB . 6936 1 871 . 2 2 48 48 GLU CG C 13 36.211 0.4 . 1 . . . . 216 GLU CG . 6936 1 872 . 2 2 48 48 GLU N N 15 122.97 0.1 . 1 . . . . 216 GLU N . 6936 1 873 . 2 2 49 49 LEU H H 1 8.265 0.02 . 1 . . . . 217 LEU HN . 6936 1 874 . 2 2 49 49 LEU HA H 1 4.041 0.02 . 1 . . . . 217 LEU HA . 6936 1 875 . 2 2 49 49 LEU HB2 H 1 1.102 0.02 . 2 . . . . 217 LEU HB1 . 6936 1 876 . 2 2 49 49 LEU HB3 H 1 1.592 0.02 . 2 . . . . 217 LEU HB2 . 6936 1 877 . 2 2 49 49 LEU HG H 1 1.686 0.02 . 1 . . . . 217 LEU HG . 6936 1 878 . 2 2 49 49 LEU HD11 H 1 0.712 0.02 . 2 . . . . 217 LEU HD1# . 6936 1 879 . 2 2 49 49 LEU HD12 H 1 0.712 0.02 . 2 . . . . 217 LEU HD1# . 6936 1 880 . 2 2 49 49 LEU HD13 H 1 0.712 0.02 . 2 . . . . 217 LEU HD1# . 6936 1 881 . 2 2 49 49 LEU HD21 H 1 0.886 0.02 . 2 . . . . 217 LEU HD2# . 6936 1 882 . 2 2 49 49 LEU HD22 H 1 0.886 0.02 . 2 . . . . 217 LEU HD2# . 6936 1 883 . 2 2 49 49 LEU HD23 H 1 0.886 0.02 . 2 . . . . 217 LEU HD2# . 6936 1 884 . 2 2 49 49 LEU C C 13 175.078 0.4 . 1 . . . . 217 LEU CO . 6936 1 885 . 2 2 49 49 LEU CA C 13 52.205 0.4 . 1 . . . . 217 LEU CA . 6936 1 886 . 2 2 49 49 LEU CB C 13 41.829 0.4 . 1 . . . . 217 LEU CB . 6936 1 887 . 2 2 49 49 LEU CG C 13 26.747 0.4 . 1 . . . . 217 LEU CG . 6936 1 888 . 2 2 49 49 LEU CD1 C 13 24.041 0.4 . 2 . . . . 217 LEU CD1 . 6936 1 889 . 2 2 49 49 LEU CD2 C 13 26.092 0.4 . 2 . . . . 217 LEU CD2 . 6936 1 890 . 2 2 49 49 LEU N N 15 125.993 0.1 . 1 . . . . 217 LEU N . 6936 1 891 . 2 2 50 50 PRO HA H 1 4.503 0.02 . 1 . . . . 218 PRO HA . 6936 1 892 . 2 2 50 50 PRO HB2 H 1 1.567 0.02 . 2 . . . . 218 PRO HB1 . 6936 1 893 . 2 2 50 50 PRO HB3 H 1 1.74 0.02 . 2 . . . . 218 PRO HB2 . 6936 1 894 . 2 2 50 50 PRO HG2 H 1 0.924 0.02 . 2 . . . . 218 PRO HG1 . 6936 1 895 . 2 2 50 50 PRO HG3 H 1 1.285 0.02 . 2 . . . . 218 PRO HG2 . 6936 1 896 . 2 2 50 50 PRO HD2 H 1 2.011 0.02 . 2 . . . . 218 PRO HD1 . 6936 1 897 . 2 2 50 50 PRO HD3 H 1 3.036 0.02 . 2 . . . . 218 PRO HD2 . 6936 1 898 . 2 2 50 50 PRO C C 13 173.773 0.4 . 1 . . . . 218 PRO CO . 6936 1 899 . 2 2 50 50 PRO CA C 13 61.079 0.4 . 1 . . . . 218 PRO CA . 6936 1 900 . 2 2 50 50 PRO CB C 13 33.399 0.4 . 1 . . . . 218 PRO CB . 6936 1 901 . 2 2 50 50 PRO CG C 13 28.002 0.4 . 1 . . . . 218 PRO CG . 6936 1 902 . 2 2 50 50 PRO CD C 13 48.449 0.4 . 1 . . . . 218 PRO CD . 6936 1 903 . 2 2 51 51 GLN H H 1 8.246 0.02 . 1 . . . . 219 GLN HN . 6936 1 904 . 2 2 51 51 GLN HA H 1 4.289 0.02 . 1 . . . . 219 GLN HA . 6936 1 905 . 2 2 51 51 GLN HB2 H 1 1.625 0.02 . 2 . . . . 219 GLN HB1 . 6936 1 906 . 2 2 51 51 GLN HB3 H 1 2.024 0.02 . 2 . . . . 219 GLN HB2 . 6936 1 907 . 2 2 51 51 GLN HG2 H 1 2.256 0.02 . 1 . . . . 219 GLN HG# . 6936 1 908 . 2 2 51 51 GLN HG3 H 1 2.256 0.02 . 1 . . . . 219 GLN HG# . 6936 1 909 . 2 2 51 51 GLN HE21 H 1 6.764 0.02 . 2 . . . . 219 GLN HE21 . 6936 1 910 . 2 2 51 51 GLN HE22 H 1 7.546 0.02 . 2 . . . . 219 GLN HE22 . 6936 1 911 . 2 2 51 51 GLN C C 13 175.264 0.4 . 1 . . . . 219 GLN CO . 6936 1 912 . 2 2 51 51 GLN CA C 13 55.343 0.4 . 1 . . . . 219 GLN CA . 6936 1 913 . 2 2 51 51 GLN CB C 13 32.506 0.4 . 1 . . . . 219 GLN CB . 6936 1 914 . 2 2 51 51 GLN CG C 13 35.113 0.4 . 1 . . . . 219 GLN CG . 6936 1 915 . 2 2 51 51 GLN N N 15 113.706 0.1 . 1 . . . . 219 GLN N . 6936 1 916 . 2 2 51 51 GLN NE2 N 15 113.178 0.1 . 1 . . . . 219 GLN NE2 . 6936 1 917 . 2 2 52 52 VAL H H 1 8.1 0.02 . 1 . . . . 220 VAL HN . 6936 1 918 . 2 2 52 52 VAL HA H 1 4.311 0.02 . 1 . . . . 220 VAL HA . 6936 1 919 . 2 2 52 52 VAL HB H 1 1.432 0.02 . 1 . . . . 220 VAL HB . 6936 1 920 . 2 2 52 52 VAL HG11 H 1 -0.036 0.02 . 2 . . . . 220 VAL HG1# . 6936 1 921 . 2 2 52 52 VAL HG12 H 1 -0.036 0.02 . 2 . . . . 220 VAL HG1# . 6936 1 922 . 2 2 52 52 VAL HG13 H 1 -0.036 0.02 . 2 . . . . 220 VAL HG1# . 6936 1 923 . 2 2 52 52 VAL HG21 H 1 0.245 0.02 . 2 . . . . 220 VAL HG2# . 6936 1 924 . 2 2 52 52 VAL HG22 H 1 0.245 0.02 . 2 . . . . 220 VAL HG2# . 6936 1 925 . 2 2 52 52 VAL HG23 H 1 0.245 0.02 . 2 . . . . 220 VAL HG2# . 6936 1 926 . 2 2 52 52 VAL C C 13 173.542 0.4 . 1 . . . . 220 VAL CO . 6936 1 927 . 2 2 52 52 VAL CA C 13 62.313 0.4 . 1 . . . . 220 VAL CA . 6936 1 928 . 2 2 52 52 VAL CB C 13 32.26 0.4 . 1 . . . . 220 VAL CB . 6936 1 929 . 2 2 52 52 VAL CG1 C 13 22.257 0.4 . 2 . . . . 220 VAL CG1 . 6936 1 930 . 2 2 52 52 VAL CG2 C 13 20.537 0.4 . 2 . . . . 220 VAL CG2 . 6936 1 931 . 2 2 52 52 VAL N N 15 121.413 0.1 . 1 . . . . 220 VAL N . 6936 1 932 . 2 2 53 53 TYR H H 1 9.215 0.02 . 1 . . . . 221 TYR HN . 6936 1 933 . 2 2 53 53 TYR HA H 1 4.995 0.02 . 1 . . . . 221 TYR HA . 6936 1 934 . 2 2 53 53 TYR HB2 H 1 2.832 0.02 . 2 . . . . 221 TYR HB1 . 6936 1 935 . 2 2 53 53 TYR HB3 H 1 3.014 0.02 . 2 . . . . 221 TYR HB2 . 6936 1 936 . 2 2 53 53 TYR HD1 H 1 6.696 0.02 . 1 . . . . 221 TYR HD# . 6936 1 937 . 2 2 53 53 TYR HD2 H 1 6.696 0.02 . 1 . . . . 221 TYR HD# . 6936 1 938 . 2 2 53 53 TYR HE1 H 1 6.823 0.02 . 1 . . . . 221 TYR HE# . 6936 1 939 . 2 2 53 53 TYR HE2 H 1 6.823 0.02 . 1 . . . . 221 TYR HE# . 6936 1 940 . 2 2 53 53 TYR C C 13 176.557 0.4 . 1 . . . . 221 TYR CO . 6936 1 941 . 2 2 53 53 TYR CA C 13 56.939 0.4 . 1 . . . . 221 TYR CA . 6936 1 942 . 2 2 53 53 TYR CB C 13 41.233 0.4 . 1 . . . . 221 TYR CB . 6936 1 943 . 2 2 53 53 TYR CD1 C 13 133.08 0.4 . 1 . . . . 221 TYR CD . 6936 1 944 . 2 2 53 53 TYR CD2 C 13 133.08 0.4 . 1 . . . . 221 TYR CD . 6936 1 945 . 2 2 53 53 TYR CE1 C 13 118.42 0.4 . 1 . . . . 221 TYR CE . 6936 1 946 . 2 2 53 53 TYR CE2 C 13 118.42 0.4 . 1 . . . . 221 TYR CE . 6936 1 947 . 2 2 53 53 TYR N N 15 122.972 0.1 . 1 . . . . 221 TYR N . 6936 1 948 . 2 2 54 54 MET H H 1 9.256 0.02 . 1 . . . . 222 MET HN . 6936 1 949 . 2 2 54 54 MET HA H 1 4.41 0.02 . 1 . . . . 222 MET HA . 6936 1 950 . 2 2 54 54 MET HB2 H 1 1.298 0.02 . 2 . . . . 222 MET HB1 . 6936 1 951 . 2 2 54 54 MET HB3 H 1 1.412 0.02 . 2 . . . . 222 MET HB2 . 6936 1 952 . 2 2 54 54 MET HG2 H 1 1.494 0.02 . 2 . . . . 222 MET HG1 . 6936 1 953 . 2 2 54 54 MET HG3 H 1 1.822 0.02 . 2 . . . . 222 MET HG2 . 6936 1 954 . 2 2 54 54 MET HE1 H 1 1.835 0.02 . 1 . . . . 222 MET HE# . 6936 1 955 . 2 2 54 54 MET HE2 H 1 1.835 0.02 . 1 . . . . 222 MET HE# . 6936 1 956 . 2 2 54 54 MET HE3 H 1 1.835 0.02 . 1 . . . . 222 MET HE# . 6936 1 957 . 2 2 54 54 MET C C 13 174.946 0.4 . 1 . . . . 222 MET CO . 6936 1 958 . 2 2 54 54 MET CA C 13 54.004 0.4 . 1 . . . . 222 MET CA . 6936 1 959 . 2 2 54 54 MET CB C 13 35.834 0.4 . 1 . . . . 222 MET CB . 6936 1 960 . 2 2 54 54 MET CG C 13 31.082 0.4 . 1 . . . . 222 MET CG . 6936 1 961 . 2 2 54 54 MET CE C 13 17.346 0.4 . 1 . . . . 222 MET CE . 6936 1 962 . 2 2 54 54 MET N N 15 121.731 0.1 . 1 . . . . 222 MET N . 6936 1 963 . 2 2 55 55 ILE H H 1 7.637 0.02 . 1 . . . . 223 ILE HN . 6936 1 964 . 2 2 55 55 ILE HA H 1 4.48 0.02 . 1 . . . . 223 ILE HA . 6936 1 965 . 2 2 55 55 ILE HB H 1 1.68 0.02 . 1 . . . . 223 ILE HB . 6936 1 966 . 2 2 55 55 ILE HG12 H 1 1.075 0.02 . 2 . . . . 223 ILE HG11 . 6936 1 967 . 2 2 55 55 ILE HG13 H 1 1.16 0.02 . 2 . . . . 223 ILE HG12 . 6936 1 968 . 2 2 55 55 ILE HG21 H 1 0.778 0.02 . 1 . . . . 223 ILE HG2# . 6936 1 969 . 2 2 55 55 ILE HG22 H 1 0.778 0.02 . 1 . . . . 223 ILE HG2# . 6936 1 970 . 2 2 55 55 ILE HG23 H 1 0.778 0.02 . 1 . . . . 223 ILE HG2# . 6936 1 971 . 2 2 55 55 ILE HD11 H 1 0.651 0.02 . 1 . . . . 223 ILE HD1# . 6936 1 972 . 2 2 55 55 ILE HD12 H 1 0.651 0.02 . 1 . . . . 223 ILE HD1# . 6936 1 973 . 2 2 55 55 ILE HD13 H 1 0.651 0.02 . 1 . . . . 223 ILE HD1# . 6936 1 974 . 2 2 55 55 ILE C C 13 175.72 0.4 . 1 . . . . 223 ILE CO . 6936 1 975 . 2 2 55 55 ILE CA C 13 59.141 0.4 . 1 . . . . 223 ILE CA . 6936 1 976 . 2 2 55 55 ILE CB C 13 36.498 0.4 . 1 . . . . 223 ILE CB . 6936 1 977 . 2 2 55 55 ILE CG1 C 13 27.327 0.4 . 1 . . . . 223 ILE CG1 . 6936 1 978 . 2 2 55 55 ILE CG2 C 13 16.624 0.4 . 1 . . . . 223 ILE CG2 . 6936 1 979 . 2 2 55 55 ILE CD1 C 13 11.231 0.4 . 1 . . . . 223 ILE CD1 . 6936 1 980 . 2 2 55 55 ILE N N 15 122.454 0.1 . 1 . . . . 223 ILE N . 6936 1 981 . 2 2 56 56 SER H H 1 8.627 0.02 . 1 . . . . 224 SER HN . 6936 1 982 . 2 2 56 56 SER HA H 1 4.45 0.02 . 1 . . . . 224 SER HA . 6936 1 983 . 2 2 56 56 SER HB2 H 1 3.937 0.02 . 2 . . . . 224 SER HB1 . 6936 1 984 . 2 2 56 56 SER HB3 H 1 4.232 0.02 . 2 . . . . 224 SER HB2 . 6936 1 985 . 2 2 56 56 SER C C 13 175.881 0.4 . 1 . . . . 224 SER CO . 6936 1 986 . 2 2 56 56 SER CA C 13 57.52 0.4 . 1 . . . . 224 SER CA . 6936 1 987 . 2 2 56 56 SER CB C 13 65.447 0.4 . 1 . . . . 224 SER CB . 6936 1 988 . 2 2 56 56 SER N N 15 124.488 0.1 . 1 . . . . 224 SER N . 6936 1 989 . 2 2 57 57 ALA HA H 1 4.117 0.02 . 1 . . . . 225 ALA HA . 6936 1 990 . 2 2 57 57 ALA HB1 H 1 1.464 0.02 . 1 . . . . 225 ALA HB# . 6936 1 991 . 2 2 57 57 ALA HB2 H 1 1.464 0.02 . 1 . . . . 225 ALA HB# . 6936 1 992 . 2 2 57 57 ALA HB3 H 1 1.464 0.02 . 1 . . . . 225 ALA HB# . 6936 1 993 . 2 2 57 57 ALA CA C 13 54.839 0.4 . 1 . . . . 225 ALA CA . 6936 1 994 . 2 2 57 57 ALA CB C 13 18.272 0.4 . 1 . . . . 225 ALA CB . 6936 1 995 . 2 2 58 58 SER HA H 1 4.391 0.02 . 1 . . . . 226 SER HA . 6936 1 996 . 2 2 58 58 SER HB2 H 1 3.831 0.02 . 2 . . . . 226 SER HB1 . 6936 1 997 . 2 2 58 58 SER HB3 H 1 3.995 0.02 . 2 . . . . 226 SER HB2 . 6936 1 998 . 2 2 58 58 SER C C 13 175.249 0.4 . 1 . . . . 226 SER CO . 6936 1 999 . 2 2 58 58 SER CA C 13 57.99 0.4 . 1 . . . . 226 SER CA . 6936 1 1000 . 2 2 58 58 SER CB C 13 63.6 0.4 . 1 . . . . 226 SER CB . 6936 1 1001 . 2 2 59 59 GLY H H 1 8.113 0.02 . 1 . . . . 227 GLY HN . 6936 1 1002 . 2 2 59 59 GLY HA2 H 1 3.442 0.02 . 2 . . . . 227 GLY HA1 . 6936 1 1003 . 2 2 59 59 GLY HA3 H 1 4.24 0.02 . 2 . . . . 227 GLY HA2 . 6936 1 1004 . 2 2 59 59 GLY C C 13 173.644 0.4 . 1 . . . . 227 GLY CO . 6936 1 1005 . 2 2 59 59 GLY CA C 13 45.099 0.4 . 1 . . . . 227 GLY CA . 6936 1 1006 . 2 2 59 59 GLY N N 15 110.976 0.1 . 1 . . . . 227 GLY N . 6936 1 1007 . 2 2 60 60 LYS H H 1 7.343 0.02 . 1 . . . . 228 LYS HN . 6936 1 1008 . 2 2 60 60 LYS HA H 1 4.332 0.02 . 1 . . . . 228 LYS HA . 6936 1 1009 . 2 2 60 60 LYS HB2 H 1 1.562 0.02 . 2 . . . . 228 LYS HB1 . 6936 1 1010 . 2 2 60 60 LYS HB3 H 1 1.686 0.02 . 2 . . . . 228 LYS HB2 . 6936 1 1011 . 2 2 60 60 LYS HG2 H 1 1.26 0.02 . 2 . . . . 228 LYS HG1 . 6936 1 1012 . 2 2 60 60 LYS HG3 H 1 1.328 0.02 . 2 . . . . 228 LYS HG2 . 6936 1 1013 . 2 2 60 60 LYS HD2 H 1 1.571 0.02 . 1 . . . . 228 LYS HD# . 6936 1 1014 . 2 2 60 60 LYS HD3 H 1 1.571 0.02 . 1 . . . . 228 LYS HD# . 6936 1 1015 . 2 2 60 60 LYS HE2 H 1 2.905 0.02 . 1 . . . . 228 LYS HE# . 6936 1 1016 . 2 2 60 60 LYS HE3 H 1 2.905 0.02 . 1 . . . . 228 LYS HE# . 6936 1 1017 . 2 2 60 60 LYS C C 13 176.433 0.4 . 1 . . . . 228 LYS CO . 6936 1 1018 . 2 2 60 60 LYS CA C 13 55.08 0.4 . 1 . . . . 228 LYS CA . 6936 1 1019 . 2 2 60 60 LYS CB C 13 33.399 0.4 . 1 . . . . 228 LYS CB . 6936 1 1020 . 2 2 60 60 LYS CG C 13 24.768 0.4 . 1 . . . . 228 LYS CG . 6936 1 1021 . 2 2 60 60 LYS CD C 13 28.588 0.4 . 1 . . . . 228 LYS CD . 6936 1 1022 . 2 2 60 60 LYS CE C 13 42.043 0.4 . 1 . . . . 228 LYS CE . 6936 1 1023 . 2 2 60 60 LYS N N 15 119.692 0.1 . 1 . . . . 228 LYS N . 6936 1 1024 . 2 2 61 61 GLU H H 1 8.839 0.02 . 1 . . . . 229 GLU HN . 6936 1 1025 . 2 2 61 61 GLU HA H 1 5.016 0.02 . 1 . . . . 229 GLU HA . 6936 1 1026 . 2 2 61 61 GLU HB2 H 1 1.661 0.02 . 2 . . . . 229 GLU HB1 . 6936 1 1027 . 2 2 61 61 GLU HB3 H 1 1.809 0.02 . 2 . . . . 229 GLU HB2 . 6936 1 1028 . 2 2 61 61 GLU HG2 H 1 1.817 0.02 . 2 . . . . 229 GLU HG1 . 6936 1 1029 . 2 2 61 61 GLU HG3 H 1 2.15 0.02 . 2 . . . . 229 GLU HG2 . 6936 1 1030 . 2 2 61 61 GLU C C 13 176.985 0.4 . 1 . . . . 229 GLU CO . 6936 1 1031 . 2 2 61 61 GLU CA C 13 56.387 0.4 . 1 . . . . 229 GLU CA . 6936 1 1032 . 2 2 61 61 GLU CB C 13 30.254 0.4 . 1 . . . . 229 GLU CB . 6936 1 1033 . 2 2 61 61 GLU CG C 13 37.599 0.4 . 1 . . . . 229 GLU CG . 6936 1 1034 . 2 2 61 61 GLU N N 15 125.789 0.1 . 1 . . . . 229 GLU N . 6936 1 1035 . 2 2 62 62 THR H H 1 9.25 0.02 . 1 . . . . 230 THR HN . 6936 1 1036 . 2 2 62 62 THR HA H 1 4.761 0.02 . 1 . . . . 230 THR HA . 6936 1 1037 . 2 2 62 62 THR HB H 1 4.011 0.02 . 1 . . . . 230 THR HB . 6936 1 1038 . 2 2 62 62 THR HG21 H 1 1.083 0.02 . 1 . . . . 230 THR HG2# . 6936 1 1039 . 2 2 62 62 THR HG22 H 1 1.083 0.02 . 1 . . . . 230 THR HG2# . 6936 1 1040 . 2 2 62 62 THR HG23 H 1 1.083 0.02 . 1 . . . . 230 THR HG2# . 6936 1 1041 . 2 2 62 62 THR C C 13 172.284 0.4 . 1 . . . . 230 THR CO . 6936 1 1042 . 2 2 62 62 THR CA C 13 60.319 0.4 . 1 . . . . 230 THR CA . 6936 1 1043 . 2 2 62 62 THR CB C 13 71.667 0.4 . 1 . . . . 230 THR CB . 6936 1 1044 . 2 2 62 62 THR CG2 C 13 21.61 0.4 . 1 . . . . 230 THR CG2 . 6936 1 1045 . 2 2 62 62 THR N N 15 118.298 0.1 . 1 . . . . 230 THR N . 6936 1 1046 . 2 2 63 63 LEU H H 1 8.787 0.02 . 1 . . . . 231 LEU HN . 6936 1 1047 . 2 2 63 63 LEU HA H 1 4.895 0.02 . 1 . . . . 231 LEU HA . 6936 1 1048 . 2 2 63 63 LEU HB2 H 1 1.328 0.02 . 2 . . . . 231 LEU HB1 . 6936 1 1049 . 2 2 63 63 LEU HB3 H 1 1.807 0.02 . 2 . . . . 231 LEU HB2 . 6936 1 1050 . 2 2 63 63 LEU HG H 1 1.228 0.02 . 1 . . . . 231 LEU HG . 6936 1 1051 . 2 2 63 63 LEU HD11 H 1 0.362 0.02 . 2 . . . . 231 LEU HD1# . 6936 1 1052 . 2 2 63 63 LEU HD12 H 1 0.362 0.02 . 2 . . . . 231 LEU HD1# . 6936 1 1053 . 2 2 63 63 LEU HD13 H 1 0.362 0.02 . 2 . . . . 231 LEU HD1# . 6936 1 1054 . 2 2 63 63 LEU HD21 H 1 0.558 0.02 . 2 . . . . 231 LEU HD2# . 6936 1 1055 . 2 2 63 63 LEU HD22 H 1 0.558 0.02 . 2 . . . . 231 LEU HD2# . 6936 1 1056 . 2 2 63 63 LEU HD23 H 1 0.558 0.02 . 2 . . . . 231 LEU HD2# . 6936 1 1057 . 2 2 63 63 LEU C C 13 174.345 0.4 . 1 . . . . 231 LEU CO . 6936 1 1058 . 2 2 63 63 LEU CA C 13 51.846 0.4 . 1 . . . . 231 LEU CA . 6936 1 1059 . 2 2 63 63 LEU CB C 13 42.922 0.4 . 1 . . . . 231 LEU CB . 6936 1 1060 . 2 2 63 63 LEU CG C 13 26.736 0.4 . 1 . . . . 231 LEU CG . 6936 1 1061 . 2 2 63 63 LEU CD1 C 13 23.44 0.4 . 2 . . . . 231 LEU CD1 . 6936 1 1062 . 2 2 63 63 LEU CD2 C 13 25.261 0.4 . 2 . . . . 231 LEU CD2 . 6936 1 1063 . 2 2 63 63 LEU N N 15 127.529 0.1 . 1 . . . . 231 LEU N . 6936 1 1064 . 2 2 64 64 PRO HA H 1 4.658 0.02 . 1 . . . . 232 PRO HA . 6936 1 1065 . 2 2 64 64 PRO HB2 H 1 1.988 0.02 . 2 . . . . 232 PRO HB1 . 6936 1 1066 . 2 2 64 64 PRO HB3 H 1 2.327 0.02 . 2 . . . . 232 PRO HB2 . 6936 1 1067 . 2 2 64 64 PRO HG2 H 1 1.975 0.02 . 1 . . . . 232 PRO HG# . 6936 1 1068 . 2 2 64 64 PRO HG3 H 1 1.975 0.02 . 1 . . . . 232 PRO HG# . 6936 1 1069 . 2 2 64 64 PRO HD2 H 1 4.111 0.02 . 2 . . . . 232 PRO HD1 . 6936 1 1070 . 2 2 64 64 PRO HD3 H 1 4.272 0.02 . 2 . . . . 232 PRO HD2 . 6936 1 1071 . 2 2 64 64 PRO C C 13 175.958 0.4 . 1 . . . . 232 PRO CO . 6936 1 1072 . 2 2 64 64 PRO CA C 13 61.659 0.4 . 1 . . . . 232 PRO CA . 6936 1 1073 . 2 2 64 64 PRO CB C 13 32.088 0.4 . 1 . . . . 232 PRO CB . 6936 1 1074 . 2 2 64 64 PRO CG C 13 27.856 0.4 . 1 . . . . 232 PRO CG . 6936 1 1075 . 2 2 64 64 PRO CD C 13 50.927 0.4 . 1 . . . . 232 PRO CD . 6936 1 1076 . 2 2 65 65 ASN H H 1 8.771 0.02 . 1 . . . . 233 ASN HN . 6936 1 1077 . 2 2 65 65 ASN HA H 1 4.538 0.02 . 1 . . . . 233 ASN HA . 6936 1 1078 . 2 2 65 65 ASN HB2 H 1 2.669 0.02 . 2 . . . . 233 ASN HB1 . 6936 1 1079 . 2 2 65 65 ASN HB3 H 1 2.719 0.02 . 2 . . . . 233 ASN HB2 . 6936 1 1080 . 2 2 65 65 ASN HD21 H 1 6.981 0.02 . 2 . . . . 233 ASN HD21 . 6936 1 1081 . 2 2 65 65 ASN HD22 H 1 7.71 0.02 . 2 . . . . 233 ASN HD22 . 6936 1 1082 . 2 2 65 65 ASN C C 13 174.308 0.4 . 1 . . . . 233 ASN CO . 6936 1 1083 . 2 2 65 65 ASN CA C 13 54.267 0.4 . 1 . . . . 233 ASN CA . 6936 1 1084 . 2 2 65 65 ASN CB C 13 38.207 0.4 . 1 . . . . 233 ASN CB . 6936 1 1085 . 2 2 65 65 ASN N N 15 119.599 0.1 . 1 . . . . 233 ASN N . 6936 1 1086 . 2 2 65 65 ASN ND2 N 15 113 0.1 . 1 . . . . 233 ASN ND2 . 6936 1 1087 . 2 2 66 66 SER H H 1 8.11 0.02 . 1 . . . . 234 SER HN . 6936 1 1088 . 2 2 66 66 SER HA H 1 5.223 0.02 . 1 . . . . 234 SER HA . 6936 1 1089 . 2 2 66 66 SER HB2 H 1 3.584 0.02 . 2 . . . . 234 SER HB1 . 6936 1 1090 . 2 2 66 66 SER HB3 H 1 3.715 0.02 . 2 . . . . 234 SER HB2 . 6936 1 1091 . 2 2 66 66 SER C C 13 172.701 0.4 . 1 . . . . 234 SER CO . 6936 1 1092 . 2 2 66 66 SER CA C 13 56.92 0.4 . 1 . . . . 234 SER CA . 6936 1 1093 . 2 2 66 66 SER CB C 13 67.384 0.4 . 1 . . . . 234 SER CB . 6936 1 1094 . 2 2 66 66 SER N N 15 116.551 0.1 . 1 . . . . 234 SER N . 6936 1 1095 . 2 2 67 67 HIS H H 1 8.572 0.02 . 1 . . . . 235 HIS HN . 6936 1 1096 . 2 2 67 67 HIS HA H 1 4.929 0.02 . 1 . . . . 235 HIS HA . 6936 1 1097 . 2 2 67 67 HIS HB2 H 1 3.009 0.02 . 2 . . . . 235 HIS HB1 . 6936 1 1098 . 2 2 67 67 HIS HB3 H 1 3.252 0.02 . 2 . . . . 235 HIS HB2 . 6936 1 1099 . 2 2 67 67 HIS HD2 H 1 7.792 0.02 . 1 . . . . 235 HIS HD2 . 6936 1 1100 . 2 2 67 67 HIS C C 13 172.77 0.4 . 1 . . . . 235 HIS CO . 6936 1 1101 . 2 2 67 67 HIS CA C 13 54.431 0.4 . 1 . . . . 235 HIS CA . 6936 1 1102 . 2 2 67 67 HIS CB C 13 32.185 0.4 . 1 . . . . 235 HIS CB . 6936 1 1103 . 2 2 67 67 HIS CD2 C 13 119.77 0.4 . 1 . . . . 235 HIS CD2 . 6936 1 1104 . 2 2 67 67 HIS CE1 C 13 138.15 0.4 . 1 . . . . 235 HIS CE1 . 6936 1 1105 . 2 2 67 67 HIS N N 15 115.264 0.1 . 1 . . . . 235 HIS N . 6936 1 1106 . 2 2 68 68 VAL H H 1 8.624 0.02 . 1 . . . . 236 VAL HN . 6936 1 1107 . 2 2 68 68 VAL HA H 1 4.835 0.02 . 1 . . . . 236 VAL HA . 6936 1 1108 . 2 2 68 68 VAL HB H 1 1.866 0.02 . 1 . . . . 236 VAL HB . 6936 1 1109 . 2 2 68 68 VAL HG11 H 1 0.772 0.02 . 2 . . . . 236 VAL HG1# . 6936 1 1110 . 2 2 68 68 VAL HG12 H 1 0.772 0.02 . 2 . . . . 236 VAL HG1# . 6936 1 1111 . 2 2 68 68 VAL HG13 H 1 0.772 0.02 . 2 . . . . 236 VAL HG1# . 6936 1 1112 . 2 2 68 68 VAL HG21 H 1 0.871 0.02 . 2 . . . . 236 VAL HG2# . 6936 1 1113 . 2 2 68 68 VAL HG22 H 1 0.871 0.02 . 2 . . . . 236 VAL HG2# . 6936 1 1114 . 2 2 68 68 VAL HG23 H 1 0.871 0.02 . 2 . . . . 236 VAL HG2# . 6936 1 1115 . 2 2 68 68 VAL C C 13 176.588 0.4 . 1 . . . . 236 VAL CO . 6936 1 1116 . 2 2 68 68 VAL CA C 13 62.341 0.4 . 1 . . . . 236 VAL CA . 6936 1 1117 . 2 2 68 68 VAL CB C 13 32.24 0.4 . 1 . . . . 236 VAL CB . 6936 1 1118 . 2 2 68 68 VAL CG1 C 13 21.524 0.4 . 2 . . . . 236 VAL CG1 . 6936 1 1119 . 2 2 68 68 VAL CG2 C 13 21.849 0.4 . 2 . . . . 236 VAL CG2 . 6936 1 1120 . 2 2 68 68 VAL N N 15 123.512 0.1 . 1 . . . . 236 VAL N . 6936 1 1121 . 2 2 69 69 VAL H H 1 9.493 0.02 . 1 . . . . 237 VAL HN . 6936 1 1122 . 2 2 69 69 VAL HA H 1 4.669 0.02 . 1 . . . . 237 VAL HA . 6936 1 1123 . 2 2 69 69 VAL HB H 1 2.161 0.02 . 1 . . . . 237 VAL HB . 6936 1 1124 . 2 2 69 69 VAL HG11 H 1 0.581 0.02 . 2 . . . . 237 VAL HG1# . 6936 1 1125 . 2 2 69 69 VAL HG12 H 1 0.581 0.02 . 2 . . . . 237 VAL HG1# . 6936 1 1126 . 2 2 69 69 VAL HG13 H 1 0.581 0.02 . 2 . . . . 237 VAL HG1# . 6936 1 1127 . 2 2 69 69 VAL HG21 H 1 0.704 0.02 . 2 . . . . 237 VAL HG2# . 6936 1 1128 . 2 2 69 69 VAL HG22 H 1 0.704 0.02 . 2 . . . . 237 VAL HG2# . 6936 1 1129 . 2 2 69 69 VAL HG23 H 1 0.704 0.02 . 2 . . . . 237 VAL HG2# . 6936 1 1130 . 2 2 69 69 VAL C C 13 174.517 0.4 . 1 . . . . 237 VAL CO . 6936 1 1131 . 2 2 69 69 VAL CA C 13 59.52 0.4 . 1 . . . . 237 VAL CA . 6936 1 1132 . 2 2 69 69 VAL CB C 13 35.435 0.4 . 1 . . . . 237 VAL CB . 6936 1 1133 . 2 2 69 69 VAL CG1 C 13 19.039 0.4 . 2 . . . . 237 VAL CG1 . 6936 1 1134 . 2 2 69 69 VAL CG2 C 13 21.939 0.4 . 2 . . . . 237 VAL CG2 . 6936 1 1135 . 2 2 69 69 VAL N N 15 123.712 0.1 . 1 . . . . 237 VAL N . 6936 1 1136 . 2 2 70 70 GLY H H 1 7.896 0.02 . 1 . . . . 238 GLY HN . 6936 1 1137 . 2 2 70 70 GLY HA2 H 1 3.754 0.02 . 2 . . . . 238 GLY HA1 . 6936 1 1138 . 2 2 70 70 GLY HA3 H 1 4.68 0.02 . 2 . . . . 238 GLY HA2 . 6936 1 1139 . 2 2 70 70 GLY C C 13 176.923 0.4 . 1 . . . . 238 GLY CO . 6936 1 1140 . 2 2 70 70 GLY CA C 13 43.91 0.4 . 1 . . . . 238 GLY CA . 6936 1 1141 . 2 2 70 70 GLY N N 15 105 0.1 . 1 . . . . 238 GLY N . 6936 1 1142 . 2 2 71 71 GLU HA H 1 4.056 0.02 . 1 . . . . 239 GLU HA . 6936 1 1143 . 2 2 71 71 GLU HB2 H 1 1.951 0.02 . 2 . . . . 239 GLU HB1 . 6936 1 1144 . 2 2 71 71 GLU HB3 H 1 2.032 0.02 . 2 . . . . 239 GLU HB2 . 6936 1 1145 . 2 2 71 71 GLU HG2 H 1 2.256 0.02 . 1 . . . . 239 GLU HG# . 6936 1 1146 . 2 2 71 71 GLU HG3 H 1 2.256 0.02 . 1 . . . . 239 GLU HG# . 6936 1 1147 . 2 2 71 71 GLU C C 13 177.761 0.4 . 1 . . . . 239 GLU CO . 6936 1 1148 . 2 2 71 71 GLU CA C 13 59.393 0.4 . 1 . . . . 239 GLU CA . 6936 1 1149 . 2 2 71 71 GLU CB C 13 29.558 0.4 . 1 . . . . 239 GLU CB . 6936 1 1150 . 2 2 71 71 GLU CG C 13 36.031 0.4 . 1 . . . . 239 GLU CG . 6936 1 1151 . 2 2 72 72 ASN H H 1 8.919 0.02 . 1 . . . . 240 ASN HN . 6936 1 1152 . 2 2 72 72 ASN HA H 1 4.934 0.02 . 1 . . . . 240 ASN HA . 6936 1 1153 . 2 2 72 72 ASN HB2 H 1 2.497 0.02 . 2 . . . . 240 ASN HB1 . 6936 1 1154 . 2 2 72 72 ASN HB3 H 1 2.885 0.02 . 2 . . . . 240 ASN HB2 . 6936 1 1155 . 2 2 72 72 ASN HD21 H 1 7.093 0.02 . 2 . . . . 240 ASN HD21 . 6936 1 1156 . 2 2 72 72 ASN HD22 H 1 7.594 0.02 . 2 . . . . 240 ASN HD22 . 6936 1 1157 . 2 2 72 72 ASN C C 13 174.349 0.4 . 1 . . . . 240 ASN CO . 6936 1 1158 . 2 2 72 72 ASN CA C 13 52.686 0.4 . 1 . . . . 240 ASN CA . 6936 1 1159 . 2 2 72 72 ASN CB C 13 38.395 0.4 . 1 . . . . 240 ASN CB . 6936 1 1160 . 2 2 72 72 ASN N N 15 114.07 0.1 . 1 . . . . 240 ASN N . 6936 1 1161 . 2 2 72 72 ASN ND2 N 15 114.056 0.1 . 1 . . . . 240 ASN ND2 . 6936 1 1162 . 2 2 73 73 ARG H H 1 8.038 0.02 . 1 . . . . 241 ARG HN . 6936 1 1163 . 2 2 73 73 ARG HA H 1 3.574 0.02 . 1 . . . . 241 ARG HA . 6936 1 1164 . 2 2 73 73 ARG HB2 H 1 1.521 0.02 . 1 . . . . 241 ARG HB# . 6936 1 1165 . 2 2 73 73 ARG HB3 H 1 1.521 0.02 . 1 . . . . 241 ARG HB# . 6936 1 1166 . 2 2 73 73 ARG HG2 H 1 1.813 0.02 . 2 . . . . 241 ARG HG1 . 6936 1 1167 . 2 2 73 73 ARG HG3 H 1 1.891 0.02 . 2 . . . . 241 ARG HG2 . 6936 1 1168 . 2 2 73 73 ARG HD2 H 1 3.185 0.02 . 1 . . . . 241 ARG HD# . 6936 1 1169 . 2 2 73 73 ARG HD3 H 1 3.185 0.02 . 1 . . . . 241 ARG HD# . 6936 1 1170 . 2 2 73 73 ARG C C 13 174.665 0.4 . 1 . . . . 241 ARG CO . 6936 1 1171 . 2 2 73 73 ARG CA C 13 57.006 0.4 . 1 . . . . 241 ARG CA . 6936 1 1172 . 2 2 73 73 ARG CB C 13 27.384 0.4 . 1 . . . . 241 ARG CB . 6936 1 1173 . 2 2 73 73 ARG CG C 13 26.76 0.4 . 1 . . . . 241 ARG CG . 6936 1 1174 . 2 2 73 73 ARG CD C 13 43.242 0.4 . 1 . . . . 241 ARG CD . 6936 1 1175 . 2 2 73 73 ARG N N 15 115.347 0.1 . 1 . . . . 241 ARG N . 6936 1 1176 . 2 2 74 74 ASN H H 1 8.507 0.02 . 1 . . . . 242 ASN HN . 6936 1 1177 . 2 2 74 74 ASN HA H 1 5.001 0.02 . 1 . . . . 242 ASN HA . 6936 1 1178 . 2 2 74 74 ASN HB2 H 1 2.249 0.02 . 2 . . . . 242 ASN HB1 . 6936 1 1179 . 2 2 74 74 ASN HB3 H 1 3.202 0.02 . 2 . . . . 242 ASN HB2 . 6936 1 1180 . 2 2 74 74 ASN HD21 H 1 7.5 0.02 . 2 . . . . 242 ASN HD21 . 6936 1 1181 . 2 2 74 74 ASN C C 13 173.011 0.4 . 1 . . . . 242 ASN CO . 6936 1 1182 . 2 2 74 74 ASN CA C 13 52.889 0.4 . 1 . . . . 242 ASN CA . 6936 1 1183 . 2 2 74 74 ASN CB C 13 38.253 0.4 . 1 . . . . 242 ASN CB . 6936 1 1184 . 2 2 74 74 ASN N N 15 111.103 0.1 . 1 . . . . 242 ASN N . 6936 1 1185 . 2 2 74 74 ASN ND2 N 15 114.266 0.1 . 1 . . . . 242 ASN ND2 . 6936 1 1186 . 2 2 75 75 ILE H H 1 7.931 0.02 . 1 . . . . 243 ILE HN . 6936 1 1187 . 2 2 75 75 ILE HA H 1 5.211 0.02 . 1 . . . . 243 ILE HA . 6936 1 1188 . 2 2 75 75 ILE HB H 1 1.668 0.02 . 1 . . . . 243 ILE HB . 6936 1 1189 . 2 2 75 75 ILE HG12 H 1 0.762 0.02 . 2 . . . . 243 ILE HG11 . 6936 1 1190 . 2 2 75 75 ILE HG13 H 1 1.736 0.02 . 2 . . . . 243 ILE HG12 . 6936 1 1191 . 2 2 75 75 ILE HG21 H 1 0.49 0.02 . 1 . . . . 243 ILE HG2# . 6936 1 1192 . 2 2 75 75 ILE HG22 H 1 0.49 0.02 . 1 . . . . 243 ILE HG2# . 6936 1 1193 . 2 2 75 75 ILE HG23 H 1 0.49 0.02 . 1 . . . . 243 ILE HG2# . 6936 1 1194 . 2 2 75 75 ILE HD11 H 1 0.94 0.02 . 1 . . . . 243 ILE HD1# . 6936 1 1195 . 2 2 75 75 ILE HD12 H 1 0.94 0.02 . 1 . . . . 243 ILE HD1# . 6936 1 1196 . 2 2 75 75 ILE HD13 H 1 0.94 0.02 . 1 . . . . 243 ILE HD1# . 6936 1 1197 . 2 2 75 75 ILE C C 13 174.835 0.4 . 1 . . . . 243 ILE CO . 6936 1 1198 . 2 2 75 75 ILE CA C 13 59.323 0.4 . 1 . . . . 243 ILE CA . 6936 1 1199 . 2 2 75 75 ILE CB C 13 39.88 0.4 . 1 . . . . 243 ILE CB . 6936 1 1200 . 2 2 75 75 ILE CG1 C 13 27.844 0.4 . 1 . . . . 243 ILE CG1 . 6936 1 1201 . 2 2 75 75 ILE CG2 C 13 17.292 0.4 . 1 . . . . 243 ILE CG2 . 6936 1 1202 . 2 2 75 75 ILE CD1 C 13 14.123 0.4 . 1 . . . . 243 ILE CD1 . 6936 1 1203 . 2 2 75 75 ILE N N 15 120.48 0.1 . 1 . . . . 243 ILE N . 6936 1 1204 . 2 2 76 76 ILE H H 1 9.357 0.02 . 1 . . . . 244 ILE HN . 6936 1 1205 . 2 2 76 76 ILE HA H 1 4.558 0.02 . 1 . . . . 244 ILE HA . 6936 1 1206 . 2 2 76 76 ILE HB H 1 1.742 0.02 . 1 . . . . 244 ILE HB . 6936 1 1207 . 2 2 76 76 ILE HG12 H 1 1.012 0.02 . 2 . . . . 244 ILE HG11 . 6936 1 1208 . 2 2 76 76 ILE HG13 H 1 1.727 0.02 . 2 . . . . 244 ILE HG12 . 6936 1 1209 . 2 2 76 76 ILE HG21 H 1 0.738 0.02 . 1 . . . . 244 ILE HG2# . 6936 1 1210 . 2 2 76 76 ILE HG22 H 1 0.738 0.02 . 1 . . . . 244 ILE HG2# . 6936 1 1211 . 2 2 76 76 ILE HG23 H 1 0.738 0.02 . 1 . . . . 244 ILE HG2# . 6936 1 1212 . 2 2 76 76 ILE HD11 H 1 0.77 0.02 . 1 . . . . 244 ILE HD1# . 6936 1 1213 . 2 2 76 76 ILE HD12 H 1 0.77 0.02 . 1 . . . . 244 ILE HD1# . 6936 1 1214 . 2 2 76 76 ILE HD13 H 1 0.77 0.02 . 1 . . . . 244 ILE HD1# . 6936 1 1215 . 2 2 76 76 ILE C C 13 174.892 0.4 . 1 . . . . 244 ILE CO . 6936 1 1216 . 2 2 76 76 ILE CA C 13 60.576 0.4 . 1 . . . . 244 ILE CA . 6936 1 1217 . 2 2 76 76 ILE CB C 13 40.435 0.4 . 1 . . . . 244 ILE CB . 6936 1 1218 . 2 2 76 76 ILE CG1 C 13 27.962 0.4 . 1 . . . . 244 ILE CG1 . 6936 1 1219 . 2 2 76 76 ILE CG2 C 13 17.582 0.4 . 1 . . . . 244 ILE CG2 . 6936 1 1220 . 2 2 76 76 ILE CD1 C 13 14.469 0.4 . 1 . . . . 244 ILE CD1 . 6936 1 1221 . 2 2 76 76 ILE N N 15 126.375 0.1 . 1 . . . . 244 ILE N . 6936 1 1222 . 2 2 77 77 GLU H H 1 9.264 0.02 . 1 . . . . 245 GLU HN . 6936 1 1223 . 2 2 77 77 GLU HA H 1 5.081 0.02 . 1 . . . . 245 GLU HA . 6936 1 1224 . 2 2 77 77 GLU HB2 H 1 1.503 0.02 . 2 . . . . 245 GLU HB1 . 6936 1 1225 . 2 2 77 77 GLU HB3 H 1 1.804 0.02 . 2 . . . . 245 GLU HB2 . 6936 1 1226 . 2 2 77 77 GLU HG2 H 1 1.509 0.02 . 2 . . . . 245 GLU HG1 . 6936 1 1227 . 2 2 77 77 GLU HG3 H 1 1.856 0.02 . 2 . . . . 245 GLU HG2 . 6936 1 1228 . 2 2 77 77 GLU C C 13 174.417 0.4 . 1 . . . . 245 GLU CO . 6936 1 1229 . 2 2 77 77 GLU CA C 13 54.5 0.4 . 1 . . . . 245 GLU CA . 6936 1 1230 . 2 2 77 77 GLU CB C 13 33.438 0.4 . 1 . . . . 245 GLU CB . 6936 1 1231 . 2 2 77 77 GLU CG C 13 33.77 0.4 . 1 . . . . 245 GLU CG . 6936 1 1232 . 2 2 77 77 GLU N N 15 129.238 0.1 . 1 . . . . 245 GLU N . 6936 1 1233 . 2 2 78 78 VAL H H 1 9.437 0.02 . 1 . . . . 246 VAL HN . 6936 1 1234 . 2 2 78 78 VAL HA H 1 4.442 0.02 . 1 . . . . 246 VAL HA . 6936 1 1235 . 2 2 78 78 VAL HB H 1 2.004 0.02 . 1 . . . . 246 VAL HB . 6936 1 1236 . 2 2 78 78 VAL HG11 H 1 0.826 0.02 . 2 . . . . 246 VAL HG1# . 6936 1 1237 . 2 2 78 78 VAL HG12 H 1 0.826 0.02 . 2 . . . . 246 VAL HG1# . 6936 1 1238 . 2 2 78 78 VAL HG13 H 1 0.826 0.02 . 2 . . . . 246 VAL HG1# . 6936 1 1239 . 2 2 78 78 VAL HG21 H 1 1.212 0.02 . 2 . . . . 246 VAL HG2# . 6936 1 1240 . 2 2 78 78 VAL HG22 H 1 1.212 0.02 . 2 . . . . 246 VAL HG2# . 6936 1 1241 . 2 2 78 78 VAL HG23 H 1 1.212 0.02 . 2 . . . . 246 VAL HG2# . 6936 1 1242 . 2 2 78 78 VAL C C 13 177.255 0.4 . 1 . . . . 246 VAL CO . 6936 1 1243 . 2 2 78 78 VAL CA C 13 60.716 0.4 . 1 . . . . 246 VAL CA . 6936 1 1244 . 2 2 78 78 VAL CB C 13 34.203 0.4 . 1 . . . . 246 VAL CB . 6936 1 1245 . 2 2 78 78 VAL CG1 C 13 21.209 0.4 . 2 . . . . 246 VAL CG1 . 6936 1 1246 . 2 2 78 78 VAL CG2 C 13 23.469 0.4 . 2 . . . . 246 VAL CG2 . 6936 1 1247 . 2 2 78 78 VAL N N 15 126.542 0.1 . 1 . . . . 246 VAL N . 6936 1 1248 . 2 2 79 79 GLU H H 1 8.634 0.02 . 1 . . . . 247 GLU HN . 6936 1 1249 . 2 2 79 79 GLU HA H 1 3.967 0.02 . 1 . . . . 247 GLU HA . 6936 1 1250 . 2 2 79 79 GLU HB2 H 1 1.734 0.02 . 2 . . . . 247 GLU HB1 . 6936 1 1251 . 2 2 79 79 GLU HB3 H 1 2.12 0.02 . 2 . . . . 247 GLU HB2 . 6936 1 1252 . 2 2 79 79 GLU HG2 H 1 1.569 0.02 . 2 . . . . 247 GLU HG1 . 6936 1 1253 . 2 2 79 79 GLU HG3 H 1 1.758 0.02 . 2 . . . . 247 GLU HG2 . 6936 1 1254 . 2 2 79 79 GLU C C 13 175.623 0.4 . 1 . . . . 247 GLU CO . 6936 1 1255 . 2 2 79 79 GLU CA C 13 56.623 0.4 . 1 . . . . 247 GLU CA . 6936 1 1256 . 2 2 79 79 GLU CB C 13 27.786 0.4 . 1 . . . . 247 GLU CB . 6936 1 1257 . 2 2 79 79 GLU CG C 13 36.271 0.4 . 1 . . . . 247 GLU CG . 6936 1 1258 . 2 2 79 79 GLU N N 15 129.127 0.1 . 1 . . . . 247 GLU N . 6936 1 1259 . 2 2 80 80 THR H H 1 8.409 0.02 . 1 . . . . 248 THR HN . 6936 1 1260 . 2 2 80 80 THR HA H 1 4.859 0.02 . 1 . . . . 248 THR HA . 6936 1 1261 . 2 2 80 80 THR HB H 1 4.342 0.02 . 1 . . . . 248 THR HB . 6936 1 1262 . 2 2 80 80 THR HG21 H 1 1.15 0.02 . 1 . . . . 248 THR HG2# . 6936 1 1263 . 2 2 80 80 THR HG22 H 1 1.15 0.02 . 1 . . . . 248 THR HG2# . 6936 1 1264 . 2 2 80 80 THR HG23 H 1 1.15 0.02 . 1 . . . . 248 THR HG2# . 6936 1 1265 . 2 2 80 80 THR C C 13 172.323 0.4 . 1 . . . . 248 THR CO . 6936 1 1266 . 2 2 80 80 THR CA C 13 61.854 0.4 . 1 . . . . 248 THR CA . 6936 1 1267 . 2 2 80 80 THR CB C 13 69.565 0.4 . 1 . . . . 248 THR CB . 6936 1 1268 . 2 2 80 80 THR CG2 C 13 19.97 0.4 . 1 . . . . 248 THR CG2 . 6936 1 1269 . 2 2 80 80 THR N N 15 115.439 0.1 . 1 . . . . 248 THR N . 6936 1 1270 . 2 2 81 81 VAL H H 1 8.177 0.02 . 1 . . . . 249 VAL HN . 6936 1 1271 . 2 2 81 81 VAL HA H 1 4.454 0.02 . 1 . . . . 249 VAL HA . 6936 1 1272 . 2 2 81 81 VAL HB H 1 1.895 0.02 . 1 . . . . 249 VAL HB . 6936 1 1273 . 2 2 81 81 VAL HG11 H 1 0.725 0.02 . 2 . . . . 249 VAL HG1# . 6936 1 1274 . 2 2 81 81 VAL HG12 H 1 0.725 0.02 . 2 . . . . 249 VAL HG1# . 6936 1 1275 . 2 2 81 81 VAL HG13 H 1 0.725 0.02 . 2 . . . . 249 VAL HG1# . 6936 1 1276 . 2 2 81 81 VAL HG21 H 1 0.878 0.02 . 2 . . . . 249 VAL HG2# . 6936 1 1277 . 2 2 81 81 VAL HG22 H 1 0.878 0.02 . 2 . . . . 249 VAL HG2# . 6936 1 1278 . 2 2 81 81 VAL HG23 H 1 0.878 0.02 . 2 . . . . 249 VAL HG2# . 6936 1 1279 . 2 2 81 81 VAL C C 13 173.634 0.4 . 1 . . . . 249 VAL CO . 6936 1 1280 . 2 2 81 81 VAL CA C 13 61.08 0.4 . 1 . . . . 249 VAL CA . 6936 1 1281 . 2 2 81 81 VAL CB C 13 35.112 0.4 . 1 . . . . 249 VAL CB . 6936 1 1282 . 2 2 81 81 VAL CG1 C 13 20.834 0.4 . 2 . . . . 249 VAL CG1 . 6936 1 1283 . 2 2 81 81 VAL CG2 C 13 21.779 0.4 . 2 . . . . 249 VAL CG2 . 6936 1 1284 . 2 2 81 81 VAL N N 15 119.34 0.1 . 1 . . . . 249 VAL N . 6936 1 1285 . 2 2 82 82 ALA H H 1 9.365 0.02 . 1 . . . . 250 ALA HN . 6936 1 1286 . 2 2 82 82 ALA HA H 1 4.364 0.02 . 1 . . . . 250 ALA HA . 6936 1 1287 . 2 2 82 82 ALA HB1 H 1 0.563 0.02 . 1 . . . . 250 ALA HB# . 6936 1 1288 . 2 2 82 82 ALA HB2 H 1 0.563 0.02 . 1 . . . . 250 ALA HB# . 6936 1 1289 . 2 2 82 82 ALA HB3 H 1 0.563 0.02 . 1 . . . . 250 ALA HB# . 6936 1 1290 . 2 2 82 82 ALA C C 13 175.109 0.4 . 1 . . . . 250 ALA CO . 6936 1 1291 . 2 2 82 82 ALA CA C 13 50.901 0.4 . 1 . . . . 250 ALA CA . 6936 1 1292 . 2 2 82 82 ALA CB C 13 22.265 0.4 . 1 . . . . 250 ALA CB . 6936 1 1293 . 2 2 82 82 ALA N N 15 126.924 0.1 . 1 . . . . 250 ALA N . 6936 1 1294 . 2 2 83 83 LYS H H 1 7.545 0.02 . 1 . . . . 251 LYS HN . 6936 1 1295 . 2 2 83 83 LYS HA H 1 3.761 0.02 . 1 . . . . 251 LYS HA . 6936 1 1296 . 2 2 83 83 LYS HB2 H 1 1.061 0.02 . 2 . . . . 251 LYS HB1 . 6936 1 1297 . 2 2 83 83 LYS HB3 H 1 1.483 0.02 . 2 . . . . 251 LYS HB2 . 6936 1 1298 . 2 2 83 83 LYS HG2 H 1 1.131 0.02 . 2 . . . . 251 LYS HG1 . 6936 1 1299 . 2 2 83 83 LYS HG3 H 1 1.262 0.02 . 2 . . . . 251 LYS HG2 . 6936 1 1300 . 2 2 83 83 LYS HD2 H 1 1.544 0.02 . 2 . . . . 251 LYS HD1 . 6936 1 1301 . 2 2 83 83 LYS HD3 H 1 1.718 0.02 . 2 . . . . 251 LYS HD2 . 6936 1 1302 . 2 2 83 83 LYS HE2 H 1 2.858 0.02 . 1 . . . . 251 LYS HE# . 6936 1 1303 . 2 2 83 83 LYS HE3 H 1 2.858 0.02 . 1 . . . . 251 LYS HE# . 6936 1 1304 . 2 2 83 83 LYS C C 13 176.037 0.4 . 1 . . . . 251 LYS CO . 6936 1 1305 . 2 2 83 83 LYS CA C 13 58.308 0.4 . 1 . . . . 251 LYS CA . 6936 1 1306 . 2 2 83 83 LYS CB C 13 32.936 0.4 . 1 . . . . 251 LYS CB . 6936 1 1307 . 2 2 83 83 LYS CG C 13 25.209 0.4 . 1 . . . . 251 LYS CG . 6936 1 1308 . 2 2 83 83 LYS CD C 13 29.166 0.4 . 1 . . . . 251 LYS CD . 6936 1 1309 . 2 2 83 83 LYS CE C 13 42.091 0.4 . 1 . . . . 251 LYS CE . 6936 1 1310 . 2 2 83 83 LYS N N 15 118.367 0.1 . 1 . . . . 251 LYS N . 6936 1 1311 . 2 2 84 84 GLU H H 1 7.717 0.02 . 1 . . . . 252 GLU HN . 6936 1 1312 . 2 2 84 84 GLU HA H 1 5.27 0.02 . 1 . . . . 252 GLU HA . 6936 1 1313 . 2 2 84 84 GLU HB2 H 1 1.772 0.02 . 2 . . . . 252 GLU HB1 . 6936 1 1314 . 2 2 84 84 GLU HB3 H 1 1.858 0.02 . 2 . . . . 252 GLU HB2 . 6936 1 1315 . 2 2 84 84 GLU HG2 H 1 2.283 0.02 . 2 . . . . 252 GLU HG1 . 6936 1 1316 . 2 2 84 84 GLU HG3 H 1 2.447 0.02 . 2 . . . . 252 GLU HG2 . 6936 1 1317 . 2 2 84 84 GLU C C 13 172.94 0.4 . 1 . . . . 252 GLU CO . 6936 1 1318 . 2 2 84 84 GLU CA C 13 55.861 0.4 . 1 . . . . 252 GLU CA . 6936 1 1319 . 2 2 84 84 GLU CB C 13 33.426 0.4 . 1 . . . . 252 GLU CB . 6936 1 1320 . 2 2 84 84 GLU CG C 13 37.751 0.4 . 1 . . . . 252 GLU CG . 6936 1 1321 . 2 2 84 84 GLU N N 15 116.687 0.1 . 1 . . . . 252 GLU N . 6936 1 1322 . 2 2 85 85 TRP H H 1 9.309 0.02 . 1 . . . . 253 TRP HN . 6936 1 1323 . 2 2 85 85 TRP HA H 1 5.491 0.02 . 1 . . . . 253 TRP HA . 6936 1 1324 . 2 2 85 85 TRP HB2 H 1 3.053 0.02 . 2 . . . . 253 TRP HB1 . 6936 1 1325 . 2 2 85 85 TRP HB3 H 1 3.42 0.02 . 2 . . . . 253 TRP HB2 . 6936 1 1326 . 2 2 85 85 TRP HD1 H 1 6.869 0.02 . 1 . . . . 253 TRP HD1 . 6936 1 1327 . 2 2 85 85 TRP HE1 H 1 10.52 0.02 . 1 . . . . 253 TRP HE1 . 6936 1 1328 . 2 2 85 85 TRP HE3 H 1 7.548 0.02 . 1 . . . . 253 TRP HE3 . 6936 1 1329 . 2 2 85 85 TRP HZ2 H 1 7.379 0.02 . 1 . . . . 253 TRP HZ2 . 6936 1 1330 . 2 2 85 85 TRP HZ3 H 1 6.697 0.02 . 1 . . . . 253 TRP HZ3 . 6936 1 1331 . 2 2 85 85 TRP HH2 H 1 6.876 0.02 . 1 . . . . 253 TRP HH2 . 6936 1 1332 . 2 2 85 85 TRP C C 13 178.023 0.4 . 1 . . . . 253 TRP CO . 6936 1 1333 . 2 2 85 85 TRP CA C 13 55.471 0.4 . 1 . . . . 253 TRP CA . 6936 1 1334 . 2 2 85 85 TRP CB C 13 34.275 0.4 . 1 . . . . 253 TRP CB . 6936 1 1335 . 2 2 85 85 TRP CD1 C 13 124.84 0.4 . 1 . . . . 253 TRP CD1 . 6936 1 1336 . 2 2 85 85 TRP CE3 C 13 122.25 0.4 . 1 . . . . 253 TRP CE3 . 6936 1 1337 . 2 2 85 85 TRP CZ2 C 13 114.25 0.4 . 1 . . . . 253 TRP CZ2 . 6936 1 1338 . 2 2 85 85 TRP CZ3 C 13 120.64 0.4 . 1 . . . . 253 TRP CZ3 . 6936 1 1339 . 2 2 85 85 TRP CH2 C 13 123.73 0.4 . 1 . . . . 253 TRP CH2 . 6936 1 1340 . 2 2 85 85 TRP N N 15 120.979 0.1 . 1 . . . . 253 TRP N . 6936 1 1341 . 2 2 85 85 TRP NE1 N 15 129.892 0.1 . 1 . . . . 253 TRP NE1 . 6936 1 1342 . 2 2 86 86 ARG H H 1 10.065 0.02 . 1 . . . . 254 ARG HN . 6936 1 1343 . 2 2 86 86 ARG HA H 1 5.067 0.02 . 1 . . . . 254 ARG HA . 6936 1 1344 . 2 2 86 86 ARG HB2 H 1 1.318 0.02 . 2 . . . . 254 ARG HB1 . 6936 1 1345 . 2 2 86 86 ARG HB3 H 1 1.842 0.02 . 2 . . . . 254 ARG HB2 . 6936 1 1346 . 2 2 86 86 ARG HD2 H 1 2.776 0.02 . 2 . . . . 254 ARG HD1 . 6936 1 1347 . 2 2 86 86 ARG HD3 H 1 3.191 0.02 . 2 . . . . 254 ARG HD2 . 6936 1 1348 . 2 2 86 86 ARG HE H 1 8.77 0.02 . 1 . . . . 254 ARG HE . 6936 1 1349 . 2 2 86 86 ARG C C 13 173.268 0.4 . 1 . . . . 254 ARG CO . 6936 1 1350 . 2 2 86 86 ARG CA C 13 54.499 0.4 . 1 . . . . 254 ARG CA . 6936 1 1351 . 2 2 86 86 ARG CB C 13 33.389 0.4 . 1 . . . . 254 ARG CB . 6936 1 1352 . 2 2 86 86 ARG CD C 13 43.133 0.4 . 1 . . . . 254 ARG CD . 6936 1 1353 . 2 2 86 86 ARG N N 15 123.706 0.1 . 1 . . . . 254 ARG N . 6936 1 1354 . 2 2 87 87 ILE H H 1 9.31 0.02 . 1 . . . . 255 ILE HN . 6936 1 1355 . 2 2 87 87 ILE HA H 1 4.813 0.02 . 1 . . . . 255 ILE HA . 6936 1 1356 . 2 2 87 87 ILE HB H 1 1.963 0.02 . 1 . . . . 255 ILE HB . 6936 1 1357 . 2 2 87 87 ILE HG12 H 1 1.024 0.02 . 2 . . . . 255 ILE HG11 . 6936 1 1358 . 2 2 87 87 ILE HG13 H 1 1.619 0.02 . 2 . . . . 255 ILE HG12 . 6936 1 1359 . 2 2 87 87 ILE HG21 H 1 1.017 0.02 . 1 . . . . 255 ILE HG2# . 6936 1 1360 . 2 2 87 87 ILE HG22 H 1 1.017 0.02 . 1 . . . . 255 ILE HG2# . 6936 1 1361 . 2 2 87 87 ILE HG23 H 1 1.017 0.02 . 1 . . . . 255 ILE HG2# . 6936 1 1362 . 2 2 87 87 ILE HD11 H 1 0.973 0.02 . 1 . . . . 255 ILE HD1# . 6936 1 1363 . 2 2 87 87 ILE HD12 H 1 0.973 0.02 . 1 . . . . 255 ILE HD1# . 6936 1 1364 . 2 2 87 87 ILE HD13 H 1 0.973 0.02 . 1 . . . . 255 ILE HD1# . 6936 1 1365 . 2 2 87 87 ILE C C 13 175.858 0.4 . 1 . . . . 255 ILE CO . 6936 1 1366 . 2 2 87 87 ILE CA C 13 60.283 0.4 . 1 . . . . 255 ILE CA . 6936 1 1367 . 2 2 87 87 ILE CB C 13 38.727 0.4 . 1 . . . . 255 ILE CB . 6936 1 1368 . 2 2 87 87 ILE CG1 C 13 27.935 0.4 . 1 . . . . 255 ILE CG1 . 6936 1 1369 . 2 2 87 87 ILE CG2 C 13 19.443 0.4 . 1 . . . . 255 ILE CG2 . 6936 1 1370 . 2 2 87 87 ILE CD1 C 13 14.913 0.4 . 1 . . . . 255 ILE CD1 . 6936 1 1371 . 2 2 87 87 ILE N N 15 126.323 0.1 . 1 . . . . 255 ILE N . 6936 1 1372 . 2 2 88 88 ARG H H 1 9.29 0.02 . 1 . . . . 256 ARG HN . 6936 1 1373 . 2 2 88 88 ARG HA H 1 5.221 0.02 . 1 . . . . 256 ARG HA . 6936 1 1374 . 2 2 88 88 ARG HB2 H 1 1.69 0.02 . 2 . . . . 256 ARG HB1 . 6936 1 1375 . 2 2 88 88 ARG HB3 H 1 1.898 0.02 . 2 . . . . 256 ARG HB2 . 6936 1 1376 . 2 2 88 88 ARG HG2 H 1 1.296 0.02 . 2 . . . . 256 ARG HG1 . 6936 1 1377 . 2 2 88 88 ARG HG3 H 1 1.456 0.02 . 2 . . . . 256 ARG HG2 . 6936 1 1378 . 2 2 88 88 ARG HD2 H 1 2.47 0.02 . 2 . . . . 256 ARG HD1 . 6936 1 1379 . 2 2 88 88 ARG HD3 H 1 2.914 0.02 . 2 . . . . 256 ARG HD2 . 6936 1 1380 . 2 2 88 88 ARG HE H 1 9.617 0.02 . 1 . . . . 256 ARG HE . 6936 1 1381 . 2 2 88 88 ARG C C 13 175.329 0.4 . 1 . . . . 256 ARG CO . 6936 1 1382 . 2 2 88 88 ARG CA C 13 55.928 0.4 . 1 . . . . 256 ARG CA . 6936 1 1383 . 2 2 88 88 ARG CB C 13 36.086 0.4 . 1 . . . . 256 ARG CB . 6936 1 1384 . 2 2 88 88 ARG CG C 13 29.623 0.4 . 1 . . . . 256 ARG CG . 6936 1 1385 . 2 2 88 88 ARG CD C 13 42.208 0.4 . 1 . . . . 256 ARG CD . 6936 1 1386 . 2 2 88 88 ARG N N 15 124.202 0.1 . 1 . . . . 256 ARG N . 6936 1 1387 . 2 2 89 89 LEU H H 1 7.465 0.02 . 1 . . . . 257 LEU HN . 6936 1 1388 . 2 2 89 89 LEU HA H 1 4.4 0.02 . 1 . . . . 257 LEU HA . 6936 1 1389 . 2 2 89 89 LEU HB2 H 1 1.29 0.02 . 2 . . . . 257 LEU HB1 . 6936 1 1390 . 2 2 89 89 LEU HB3 H 1 1.716 0.02 . 2 . . . . 257 LEU HB2 . 6936 1 1391 . 2 2 89 89 LEU HG H 1 1.386 0.02 . 1 . . . . 257 LEU HG . 6936 1 1392 . 2 2 89 89 LEU HD11 H 1 0.584 0.02 . 2 . . . . 257 LEU HD1# . 6936 1 1393 . 2 2 89 89 LEU HD12 H 1 0.584 0.02 . 2 . . . . 257 LEU HD1# . 6936 1 1394 . 2 2 89 89 LEU HD13 H 1 0.584 0.02 . 2 . . . . 257 LEU HD1# . 6936 1 1395 . 2 2 89 89 LEU HD21 H 1 0.775 0.02 . 2 . . . . 257 LEU HD2# . 6936 1 1396 . 2 2 89 89 LEU HD22 H 1 0.775 0.02 . 2 . . . . 257 LEU HD2# . 6936 1 1397 . 2 2 89 89 LEU HD23 H 1 0.775 0.02 . 2 . . . . 257 LEU HD2# . 6936 1 1398 . 2 2 89 89 LEU C C 13 176.847 0.4 . 1 . . . . 257 LEU CO . 6936 1 1399 . 2 2 89 89 LEU CA C 13 56.111 0.4 . 1 . . . . 257 LEU CA . 6936 1 1400 . 2 2 89 89 LEU CB C 13 45.658 0.4 . 1 . . . . 257 LEU CB . 6936 1 1401 . 2 2 89 89 LEU CG C 13 27.835 0.4 . 1 . . . . 257 LEU CG . 6936 1 1402 . 2 2 89 89 LEU CD1 C 13 25.514 0.4 . 2 . . . . 257 LEU CD1 . 6936 1 1403 . 2 2 89 89 LEU CD2 C 13 23.607 0.4 . 2 . . . . 257 LEU CD2 . 6936 1 1404 . 2 2 89 89 LEU N N 15 121.816 0.1 . 1 . . . . 257 LEU N . 6936 1 1405 . 2 2 90 90 GLY H H 1 9.479 0.02 . 1 . . . . 258 GLY HN . 6936 1 1406 . 2 2 90 90 GLY HA2 H 1 3.676 0.02 . 2 . . . . 258 GLY HA1 . 6936 1 1407 . 2 2 90 90 GLY HA3 H 1 3.9 0.02 . 2 . . . . 258 GLY HA2 . 6936 1 1408 . 2 2 90 90 GLY C C 13 174.746 0.4 . 1 . . . . 258 GLY CO . 6936 1 1409 . 2 2 90 90 GLY CA C 13 47.451 0.4 . 1 . . . . 258 GLY CA . 6936 1 1410 . 2 2 90 90 GLY N N 15 121.03 0.1 . 1 . . . . 258 GLY N . 6936 1 1411 . 2 2 91 91 ASP H H 1 8.786 0.02 . 1 . . . . 259 ASP HN . 6936 1 1412 . 2 2 91 91 ASP C C 13 174.88 0.4 . 1 . . . . 259 ASP CO . 6936 1 1413 . 2 2 91 91 ASP N N 15 127.554 0.1 . 1 . . . . 259 ASP N . 6936 1 1414 . 2 2 92 92 LYS H H 1 8.184 0.02 . 1 . . . . 260 LYS HN . 6936 1 1415 . 2 2 92 92 LYS HA H 1 4.596 0.02 . 1 . . . . 260 LYS HA . 6936 1 1416 . 2 2 92 92 LYS HB2 H 1 1.521 0.02 . 2 . . . . 260 LYS HB1 . 6936 1 1417 . 2 2 92 92 LYS HB3 H 1 2.069 0.02 . 2 . . . . 260 LYS HB2 . 6936 1 1418 . 2 2 92 92 LYS HG2 H 1 1.466 0.02 . 2 . . . . 260 LYS HG1 . 6936 1 1419 . 2 2 92 92 LYS HG3 H 1 1.552 0.02 . 2 . . . . 260 LYS HG2 . 6936 1 1420 . 2 2 92 92 LYS HD2 H 1 1.569 0.02 . 1 . . . . 260 LYS HD# . 6936 1 1421 . 2 2 92 92 LYS HD3 H 1 1.569 0.02 . 1 . . . . 260 LYS HD# . 6936 1 1422 . 2 2 92 92 LYS HE2 H 1 3.019 0.02 . 1 . . . . 260 LYS HE# . 6936 1 1423 . 2 2 92 92 LYS HE3 H 1 3.019 0.02 . 1 . . . . 260 LYS HE# . 6936 1 1424 . 2 2 92 92 LYS C C 13 177.053 0.4 . 1 . . . . 260 LYS CO . 6936 1 1425 . 2 2 92 92 LYS CA C 13 55.6 0.4 . 1 . . . . 260 LYS CA . 6936 1 1426 . 2 2 92 92 LYS CB C 13 34.508 0.4 . 1 . . . . 260 LYS CB . 6936 1 1427 . 2 2 92 92 LYS CG C 13 25.68 0.4 . 1 . . . . 260 LYS CG . 6936 1 1428 . 2 2 92 92 LYS CD C 13 29.966 0.4 . 1 . . . . 260 LYS CD . 6936 1 1429 . 2 2 92 92 LYS CE C 13 42.177 0.4 . 1 . . . . 260 LYS CE . 6936 1 1430 . 2 2 92 92 LYS N N 15 117.616 0.1 . 1 . . . . 260 LYS N . 6936 1 1431 . 2 2 93 93 VAL H H 1 8.388 0.02 . 1 . . . . 261 VAL HN . 6936 1 1432 . 2 2 93 93 VAL HA H 1 5.592 0.02 . 1 . . . . 261 VAL HA . 6936 1 1433 . 2 2 93 93 VAL HB H 1 1.846 0.02 . 1 . . . . 261 VAL HB . 6936 1 1434 . 2 2 93 93 VAL HG11 H 1 0.485 0.02 . 2 . . . . 261 VAL HG1# . 6936 1 1435 . 2 2 93 93 VAL HG12 H 1 0.485 0.02 . 2 . . . . 261 VAL HG1# . 6936 1 1436 . 2 2 93 93 VAL HG13 H 1 0.485 0.02 . 2 . . . . 261 VAL HG1# . 6936 1 1437 . 2 2 93 93 VAL HG21 H 1 0.662 0.02 . 2 . . . . 261 VAL HG2# . 6936 1 1438 . 2 2 93 93 VAL HG22 H 1 0.662 0.02 . 2 . . . . 261 VAL HG2# . 6936 1 1439 . 2 2 93 93 VAL HG23 H 1 0.662 0.02 . 2 . . . . 261 VAL HG2# . 6936 1 1440 . 2 2 93 93 VAL C C 13 171.967 0.4 . 1 . . . . 261 VAL CO . 6936 1 1441 . 2 2 93 93 VAL CA C 13 58.659 0.4 . 1 . . . . 261 VAL CA . 6936 1 1442 . 2 2 93 93 VAL CB C 13 34.701 0.4 . 1 . . . . 261 VAL CB . 6936 1 1443 . 2 2 93 93 VAL CG1 C 13 17.66 0.4 . 2 . . . . 261 VAL CG1 . 6936 1 1444 . 2 2 93 93 VAL CG2 C 13 22.543 0.4 . 2 . . . . 261 VAL CG2 . 6936 1 1445 . 2 2 93 93 VAL N N 15 122.458 0.1 . 1 . . . . 261 VAL N . 6936 1 1446 . 2 2 94 94 VAL H H 1 9.042 0.02 . 1 . . . . 262 VAL HN . 6936 1 1447 . 2 2 94 94 VAL HA H 1 3.728 0.02 . 1 . . . . 262 VAL HA . 6936 1 1448 . 2 2 94 94 VAL HB H 1 1.829 0.02 . 1 . . . . 262 VAL HB . 6936 1 1449 . 2 2 94 94 VAL HG11 H 1 0.921 0.02 . 2 . . . . 262 VAL HG1# . 6936 1 1450 . 2 2 94 94 VAL HG12 H 1 0.921 0.02 . 2 . . . . 262 VAL HG1# . 6936 1 1451 . 2 2 94 94 VAL HG13 H 1 0.921 0.02 . 2 . . . . 262 VAL HG1# . 6936 1 1452 . 2 2 94 94 VAL HG21 H 1 1.083 0.02 . 2 . . . . 262 VAL HG2# . 6936 1 1453 . 2 2 94 94 VAL HG22 H 1 1.083 0.02 . 2 . . . . 262 VAL HG2# . 6936 1 1454 . 2 2 94 94 VAL HG23 H 1 1.083 0.02 . 2 . . . . 262 VAL HG2# . 6936 1 1455 . 2 2 94 94 VAL C C 13 175.855 0.4 . 1 . . . . 262 VAL CO . 6936 1 1456 . 2 2 94 94 VAL CA C 13 61.786 0.4 . 1 . . . . 262 VAL CA . 6936 1 1457 . 2 2 94 94 VAL CB C 13 36.809 0.4 . 1 . . . . 262 VAL CB . 6936 1 1458 . 2 2 94 94 VAL CG1 C 13 23.066 0.4 . 2 . . . . 262 VAL CG1 . 6936 1 1459 . 2 2 94 94 VAL CG2 C 13 21.628 0.4 . 2 . . . . 262 VAL CG2 . 6936 1 1460 . 2 2 94 94 VAL N N 15 127.624 0.1 . 1 . . . . 262 VAL N . 6936 1 1461 . 2 2 95 95 GLY H H 1 8.527 0.02 . 1 . . . . 263 GLY HN . 6936 1 1462 . 2 2 95 95 GLY HA2 H 1 3.191 0.02 . 2 . . . . 263 GLY HA1 . 6936 1 1463 . 2 2 95 95 GLY HA3 H 1 4.888 0.02 . 2 . . . . 263 GLY HA2 . 6936 1 1464 . 2 2 95 95 GLY C C 13 171.771 0.4 . 1 . . . . 263 GLY CO . 6936 1 1465 . 2 2 95 95 GLY CA C 13 45.356 0.4 . 1 . . . . 263 GLY CA . 6936 1 1466 . 2 2 95 95 GLY N N 15 114.83 0.1 . 1 . . . . 263 GLY N . 6936 1 1467 . 2 2 96 96 VAL H H 1 8.497 0.02 . 1 . . . . 264 VAL HN . 6936 1 1468 . 2 2 96 96 VAL HA H 1 5.49 0.02 . 1 . . . . 264 VAL HA . 6936 1 1469 . 2 2 96 96 VAL HB H 1 2.196 0.02 . 1 . . . . 264 VAL HB . 6936 1 1470 . 2 2 96 96 VAL HG11 H 1 1.057 0.02 . 2 . . . . 264 VAL HG1# . 6936 1 1471 . 2 2 96 96 VAL HG12 H 1 1.057 0.02 . 2 . . . . 264 VAL HG1# . 6936 1 1472 . 2 2 96 96 VAL HG13 H 1 1.057 0.02 . 2 . . . . 264 VAL HG1# . 6936 1 1473 . 2 2 96 96 VAL HG21 H 1 1.265 0.02 . 2 . . . . 264 VAL HG2# . 6936 1 1474 . 2 2 96 96 VAL HG22 H 1 1.265 0.02 . 2 . . . . 264 VAL HG2# . 6936 1 1475 . 2 2 96 96 VAL HG23 H 1 1.265 0.02 . 2 . . . . 264 VAL HG2# . 6936 1 1476 . 2 2 96 96 VAL C C 13 174.526 0.4 . 1 . . . . 264 VAL CO . 6936 1 1477 . 2 2 96 96 VAL CA C 13 61.078 0.4 . 1 . . . . 264 VAL CA . 6936 1 1478 . 2 2 96 96 VAL CB C 13 36.51 0.4 . 1 . . . . 264 VAL CB . 6936 1 1479 . 2 2 96 96 VAL CG1 C 13 22.436 0.4 . 2 . . . . 264 VAL CG1 . 6936 1 1480 . 2 2 96 96 VAL CG2 C 13 23.368 0.4 . 2 . . . . 264 VAL CG2 . 6936 1 1481 . 2 2 96 96 VAL N N 15 122.611 0.1 . 1 . . . . 264 VAL N . 6936 1 1482 . 2 2 97 97 ARG H H 1 9.797 0.02 . 1 . . . . 265 ARG HN . 6936 1 1483 . 2 2 97 97 ARG HA H 1 5.401 0.02 . 1 . . . . 265 ARG HA . 6936 1 1484 . 2 2 97 97 ARG HB2 H 1 1.528 0.02 . 2 . . . . 265 ARG HB1 . 6936 1 1485 . 2 2 97 97 ARG HB3 H 1 1.715 0.02 . 2 . . . . 265 ARG HB2 . 6936 1 1486 . 2 2 97 97 ARG HG2 H 1 1.368 0.02 . 2 . . . . 265 ARG HG1 . 6936 1 1487 . 2 2 97 97 ARG HG3 H 1 1.565 0.02 . 2 . . . . 265 ARG HG2 . 6936 1 1488 . 2 2 97 97 ARG HD2 H 1 2.494 0.02 . 2 . . . . 265 ARG HD1 . 6936 1 1489 . 2 2 97 97 ARG HD3 H 1 2.777 0.02 . 2 . . . . 265 ARG HD2 . 6936 1 1490 . 2 2 97 97 ARG HE H 1 6.497 0.02 . 1 . . . . 265 ARG HE . 6936 1 1491 . 2 2 97 97 ARG C C 13 173.726 0.4 . 1 . . . . 265 ARG CO . 6936 1 1492 . 2 2 97 97 ARG CA C 13 54.912 0.4 . 1 . . . . 265 ARG CA . 6936 1 1493 . 2 2 97 97 ARG CB C 13 34.27 0.4 . 1 . . . . 265 ARG CB . 6936 1 1494 . 2 2 97 97 ARG CG C 13 28.212 0.4 . 1 . . . . 265 ARG CG . 6936 1 1495 . 2 2 97 97 ARG CD C 13 43.158 0.4 . 1 . . . . 265 ARG CD . 6936 1 1496 . 2 2 97 97 ARG N N 15 128.124 0.1 . 1 . . . . 265 ARG N . 6936 1 1497 . 2 2 98 98 ASN H H 1 9.036 0.02 . 1 . . . . 266 ASN HN . 6936 1 1498 . 2 2 98 98 ASN HA H 1 3.978 0.02 . 1 . . . . 266 ASN HA . 6936 1 1499 . 2 2 98 98 ASN HB2 H 1 2.793 0.02 . 2 . . . . 266 ASN HB1 . 6936 1 1500 . 2 2 98 98 ASN HB3 H 1 3.464 0.02 . 2 . . . . 266 ASN HB2 . 6936 1 1501 . 2 2 98 98 ASN HD21 H 1 6.521 0.02 . 2 . . . . 266 ASN HD21 . 6936 1 1502 . 2 2 98 98 ASN HD22 H 1 7.371 0.02 . 2 . . . . 266 ASN HD22 . 6936 1 1503 . 2 2 98 98 ASN C C 13 175.765 0.4 . 1 . . . . 266 ASN CO . 6936 1 1504 . 2 2 98 98 ASN CA C 13 51.133 0.4 . 1 . . . . 266 ASN CA . 6936 1 1505 . 2 2 98 98 ASN CB C 13 40.236 0.4 . 1 . . . . 266 ASN CB . 6936 1 1506 . 2 2 98 98 ASN N N 15 122.936 0.1 . 1 . . . . 266 ASN N . 6936 1 1507 . 2 2 98 98 ASN ND2 N 15 107.07 0.1 . 1 . . . . 266 ASN ND2 . 6936 1 1508 . 2 2 99 99 ASN H H 1 8.966 0.02 . 1 . . . . 267 ASN HN . 6936 1 1509 . 2 2 99 99 ASN HA H 1 4.851 0.02 . 1 . . . . 267 ASN HA . 6936 1 1510 . 2 2 99 99 ASN HB2 H 1 2.51 0.02 . 2 . . . . 267 ASN HB1 . 6936 1 1511 . 2 2 99 99 ASN HB3 H 1 3.057 0.02 . 2 . . . . 267 ASN HB2 . 6936 1 1512 . 2 2 99 99 ASN HD21 H 1 6.368 0.02 . 2 . . . . 267 ASN HD21 . 6936 1 1513 . 2 2 99 99 ASN HD22 H 1 7.735 0.02 . 2 . . . . 267 ASN HD22 . 6936 1 1514 . 2 2 99 99 ASN C C 13 175.205 0.4 . 1 . . . . 267 ASN CO . 6936 1 1515 . 2 2 99 99 ASN CA C 13 52.887 0.4 . 1 . . . . 267 ASN CA . 6936 1 1516 . 2 2 99 99 ASN CB C 13 38.492 0.4 . 1 . . . . 267 ASN CB . 6936 1 1517 . 2 2 99 99 ASN N N 15 124.581 0.1 . 1 . . . . 267 ASN N . 6936 1 1518 . 2 2 99 99 ASN ND2 N 15 110.54 0.1 . 1 . . . . 267 ASN ND2 . 6936 1 1519 . 2 2 100 100 ASN H H 1 8.395 0.02 . 1 . . . . 268 ASN HN . 6936 1 1520 . 2 2 100 100 ASN HA H 1 4.869 0.02 . 1 . . . . 268 ASN HA . 6936 1 1521 . 2 2 100 100 ASN HB2 H 1 2.35 0.02 . 2 . . . . 268 ASN HB1 . 6936 1 1522 . 2 2 100 100 ASN HB3 H 1 2.962 0.02 . 2 . . . . 268 ASN HB2 . 6936 1 1523 . 2 2 100 100 ASN HD21 H 1 6.782 0.02 . 2 . . . . 268 ASN HD21 . 6936 1 1524 . 2 2 100 100 ASN HD22 H 1 7.123 0.02 . 2 . . . . 268 ASN HD22 . 6936 1 1525 . 2 2 100 100 ASN C C 13 173.039 0.4 . 1 . . . . 268 ASN CO . 6936 1 1526 . 2 2 100 100 ASN CA C 13 52.323 0.4 . 1 . . . . 268 ASN CA . 6936 1 1527 . 2 2 100 100 ASN CB C 13 39.018 0.4 . 1 . . . . 268 ASN CB . 6936 1 1528 . 2 2 100 100 ASN N N 15 120.805 0.1 . 1 . . . . 268 ASN N . 6936 1 1529 . 2 2 100 100 ASN ND2 N 15 111.25 0.1 . 1 . . . . 268 ASN ND2 . 6936 1 1530 . 2 2 101 101 PHE H H 1 7.847 0.02 . 1 . . . . 269 PHE HN . 6936 1 1531 . 2 2 101 101 PHE HA H 1 4.325 0.02 . 1 . . . . 269 PHE HA . 6936 1 1532 . 2 2 101 101 PHE HB2 H 1 2.716 0.02 . 2 . . . . 269 PHE HB1 . 6936 1 1533 . 2 2 101 101 PHE HB3 H 1 2.87 0.02 . 2 . . . . 269 PHE HB2 . 6936 1 1534 . 2 2 101 101 PHE HD1 H 1 6.993 0.02 . 1 . . . . 269 PHE HD# . 6936 1 1535 . 2 2 101 101 PHE HD2 H 1 6.993 0.02 . 1 . . . . 269 PHE HD# . 6936 1 1536 . 2 2 101 101 PHE HE1 H 1 7.166 0.02 . 1 . . . . 269 PHE HE# . 6936 1 1537 . 2 2 101 101 PHE HE2 H 1 7.166 0.02 . 1 . . . . 269 PHE HE# . 6936 1 1538 . 2 2 101 101 PHE HZ H 1 7.268 0.02 . 1 . . . . 269 PHE HZ . 6936 1 1539 . 2 2 101 101 PHE C C 13 174.463 0.4 . 1 . . . . 269 PHE CO . 6936 1 1540 . 2 2 101 101 PHE CA C 13 57.637 0.4 . 1 . . . . 269 PHE CA . 6936 1 1541 . 2 2 101 101 PHE CB C 13 39.974 0.4 . 1 . . . . 269 PHE CB . 6936 1 1542 . 2 2 101 101 PHE CD1 C 13 131.64 0.4 . 1 . . . . 269 PHE CD . 6936 1 1543 . 2 2 101 101 PHE CD2 C 13 131.64 0.4 . 1 . . . . 269 PHE CD . 6936 1 1544 . 2 2 101 101 PHE N N 15 121.793 0.1 . 1 . . . . 269 PHE N . 6936 1 1545 . 2 2 102 102 ALA H H 1 8.241 0.02 . 1 . . . . 270 ALA HN . 6936 1 1546 . 2 2 102 102 ALA HA H 1 4.326 0.02 . 1 . . . . 270 ALA HA . 6936 1 1547 . 2 2 102 102 ALA HB1 H 1 1.056 0.02 . 1 . . . . 270 ALA HB# . 6936 1 1548 . 2 2 102 102 ALA HB2 H 1 1.056 0.02 . 1 . . . . 270 ALA HB# . 6936 1 1549 . 2 2 102 102 ALA HB3 H 1 1.056 0.02 . 1 . . . . 270 ALA HB# . 6936 1 1550 . 2 2 102 102 ALA C C 13 173.876 0.4 . 1 . . . . 270 ALA CO . 6936 1 1551 . 2 2 102 102 ALA CA C 13 50.17 0.4 . 1 . . . . 270 ALA CA . 6936 1 1552 . 2 2 102 102 ALA CB C 13 18.7 0.4 . 1 . . . . 270 ALA CB . 6936 1 1553 . 2 2 102 102 ALA N N 15 131.385 0.1 . 1 . . . . 270 ALA N . 6936 1 1554 . 2 2 103 103 PRO HA H 1 4.186 0.02 . 1 . . . . 271 PRO HA . 6936 1 1555 . 2 2 103 103 PRO HB2 H 1 1.829 0.02 . 2 . . . . 271 PRO HB1 . 6936 1 1556 . 2 2 103 103 PRO HB3 H 1 2.127 0.02 . 2 . . . . 271 PRO HB2 . 6936 1 1557 . 2 2 103 103 PRO HG2 H 1 1.824 0.02 . 1 . . . . 271 PRO HG# . 6936 1 1558 . 2 2 103 103 PRO HG3 H 1 1.824 0.02 . 1 . . . . 271 PRO HG# . 6936 1 1559 . 2 2 103 103 PRO HD2 H 1 3.036 0.02 . 2 . . . . 271 PRO HD1 . 6936 1 1560 . 2 2 103 103 PRO HD3 H 1 3.315 0.02 . 2 . . . . 271 PRO HD2 . 6936 1 1561 . 2 2 103 103 PRO C C 13 177.867 0.4 . 1 . . . . 271 PRO CO . 6936 1 1562 . 2 2 103 103 PRO CA C 13 63.382 0.4 . 1 . . . . 271 PRO CA . 6936 1 1563 . 2 2 103 103 PRO CB C 13 31.852 0.4 . 1 . . . . 271 PRO CB . 6936 1 1564 . 2 2 103 103 PRO CG C 13 27.424 0.4 . 1 . . . . 271 PRO CG . 6936 1 1565 . 2 2 103 103 PRO CD C 13 50.109 0.4 . 1 . . . . 271 PRO CD . 6936 1 1566 . 2 2 104 104 GLY H H 1 8.397 0.02 . 1 . . . . 272 GLY HN . 6936 1 1567 . 2 2 104 104 GLY HA2 H 1 3.862 0.02 . 1 . . . . 272 GLY HA# . 6936 1 1568 . 2 2 104 104 GLY HA3 H 1 3.862 0.02 . 1 . . . . 272 GLY HA# . 6936 1 1569 . 2 2 104 104 GLY C C 13 174.204 0.4 . 1 . . . . 272 GLY CO . 6936 1 1570 . 2 2 104 104 GLY CA C 13 45.129 0.4 . 1 . . . . 272 GLY CA . 6936 1 1571 . 2 2 104 104 GLY N N 15 109.218 0.1 . 1 . . . . 272 GLY N . 6936 1 1572 . 2 2 105 105 ALA H H 1 8.086 0.02 . 1 . . . . 273 ALA HN . 6936 1 1573 . 2 2 105 105 ALA HA H 1 4.219 0.02 . 1 . . . . 273 ALA HA . 6936 1 1574 . 2 2 105 105 ALA HB1 H 1 1.298 0.02 . 1 . . . . 273 ALA HB# . 6936 1 1575 . 2 2 105 105 ALA HB2 H 1 1.298 0.02 . 1 . . . . 273 ALA HB# . 6936 1 1576 . 2 2 105 105 ALA HB3 H 1 1.298 0.02 . 1 . . . . 273 ALA HB# . 6936 1 1577 . 2 2 105 105 ALA C C 13 178.317 0.4 . 1 . . . . 273 ALA CO . 6936 1 1578 . 2 2 105 105 ALA CA C 13 52.74 0.4 . 1 . . . . 273 ALA CA . 6936 1 1579 . 2 2 105 105 ALA CB C 13 19.173 0.4 . 1 . . . . 273 ALA CB . 6936 1 1580 . 2 2 105 105 ALA N N 15 123.756 0.1 . 1 . . . . 273 ALA N . 6936 1 1581 . 2 2 106 106 GLY H H 1 8.352 0.02 . 1 . . . . 274 GLY HN . 6936 1 1582 . 2 2 106 106 GLY HA2 H 1 3.858 0.02 . 1 . . . . 274 GLY HA# . 6936 1 1583 . 2 2 106 106 GLY HA3 H 1 3.858 0.02 . 1 . . . . 274 GLY HA# . 6936 1 1584 . 2 2 106 106 GLY C C 13 173.947 0.4 . 1 . . . . 274 GLY CO . 6936 1 1585 . 2 2 106 106 GLY CA C 13 45.132 0.4 . 1 . . . . 274 GLY CA . 6936 1 1586 . 2 2 106 106 GLY N N 15 107.978 0.1 . 1 . . . . 274 GLY N . 6936 1 1587 . 2 2 107 107 ALA H H 1 8.01 0.02 . 1 . . . . 275 ALA HN . 6936 1 1588 . 2 2 107 107 ALA HA H 1 4.303 0.02 . 1 . . . . 275 ALA HA . 6936 1 1589 . 2 2 107 107 ALA HB1 H 1 1.351 0.02 . 1 . . . . 275 ALA HB# . 6936 1 1590 . 2 2 107 107 ALA HB2 H 1 1.351 0.02 . 1 . . . . 275 ALA HB# . 6936 1 1591 . 2 2 107 107 ALA HB3 H 1 1.351 0.02 . 1 . . . . 275 ALA HB# . 6936 1 1592 . 2 2 107 107 ALA C C 13 177.824 0.4 . 1 . . . . 275 ALA CO . 6936 1 1593 . 2 2 107 107 ALA CA C 13 52.408 0.4 . 1 . . . . 275 ALA CA . 6936 1 1594 . 2 2 107 107 ALA CB C 13 19.623 0.4 . 1 . . . . 275 ALA CB . 6936 1 1595 . 2 2 107 107 ALA N N 15 123.736 0.1 . 1 . . . . 275 ALA N . 6936 1 1596 . 2 2 108 108 VAL H H 1 8.039 0.02 . 1 . . . . 276 VAL HN . 6936 1 1597 . 2 2 108 108 VAL HA H 1 4.071 0.02 . 1 . . . . 276 VAL HA . 6936 1 1598 . 2 2 108 108 VAL HB H 1 2.027 0.02 . 1 . . . . 276 VAL HB . 6936 1 1599 . 2 2 108 108 VAL HG11 H 1 0.904 0.02 . 2 . . . . 276 VAL HG1# . 6936 1 1600 . 2 2 108 108 VAL HG12 H 1 0.904 0.02 . 2 . . . . 276 VAL HG1# . 6936 1 1601 . 2 2 108 108 VAL HG13 H 1 0.904 0.02 . 2 . . . . 276 VAL HG1# . 6936 1 1602 . 2 2 108 108 VAL HG21 H 1 0.901 0.02 . 2 . . . . 276 VAL HG2# . 6936 1 1603 . 2 2 108 108 VAL HG22 H 1 0.901 0.02 . 2 . . . . 276 VAL HG2# . 6936 1 1604 . 2 2 108 108 VAL HG23 H 1 0.901 0.02 . 2 . . . . 276 VAL HG2# . 6936 1 1605 . 2 2 108 108 VAL C C 13 176.118 0.4 . 1 . . . . 276 VAL CO . 6936 1 1606 . 2 2 108 108 VAL CA C 13 62.014 0.4 . 1 . . . . 276 VAL CA . 6936 1 1607 . 2 2 108 108 VAL CB C 13 32.825 0.4 . 1 . . . . 276 VAL CB . 6936 1 1608 . 2 2 108 108 VAL CG1 C 13 20.546 0.4 . 2 . . . . 276 VAL CG1 . 6936 1 1609 . 2 2 108 108 VAL CG2 C 13 21.185 0.4 . 2 . . . . 276 VAL CG2 . 6936 1 1610 . 2 2 108 108 VAL N N 15 119.188 0.1 . 1 . . . . 276 VAL N . 6936 1 1611 . 2 2 109 109 ALA H H 1 8.406 0.02 . 1 . . . . 277 ALA HN . 6936 1 1612 . 2 2 109 109 ALA HA H 1 4.37 0.02 . 1 . . . . 277 ALA HA . 6936 1 1613 . 2 2 109 109 ALA HB1 H 1 1.363 0.02 . 1 . . . . 277 ALA HB# . 6936 1 1614 . 2 2 109 109 ALA HB2 H 1 1.363 0.02 . 1 . . . . 277 ALA HB# . 6936 1 1615 . 2 2 109 109 ALA HB3 H 1 1.363 0.02 . 1 . . . . 277 ALA HB# . 6936 1 1616 . 2 2 109 109 ALA C C 13 177.951 0.4 . 1 . . . . 277 ALA CO . 6936 1 1617 . 2 2 109 109 ALA CA C 13 52.422 0.4 . 1 . . . . 277 ALA CA . 6936 1 1618 . 2 2 109 109 ALA CB C 13 19.528 0.4 . 1 . . . . 277 ALA CB . 6936 1 1619 . 2 2 109 109 ALA N N 15 127.967 0.1 . 1 . . . . 277 ALA N . 6936 1 1620 . 2 2 110 110 THR H H 1 8.136 0.02 . 1 . . . . 278 THR HN . 6936 1 1621 . 2 2 110 110 THR HA H 1 4.304 0.02 . 1 . . . . 278 THR HA . 6936 1 1622 . 2 2 110 110 THR HB H 1 4.218 0.02 . 1 . . . . 278 THR HB . 6936 1 1623 . 2 2 110 110 THR HG21 H 1 1.183 0.02 . 1 . . . . 278 THR HG2# . 6936 1 1624 . 2 2 110 110 THR HG22 H 1 1.183 0.02 . 1 . . . . 278 THR HG2# . 6936 1 1625 . 2 2 110 110 THR HG23 H 1 1.183 0.02 . 1 . . . . 278 THR HG2# . 6936 1 1626 . 2 2 110 110 THR C C 13 175.311 0.4 . 1 . . . . 278 THR CO . 6936 1 1627 . 2 2 110 110 THR CA C 13 61.8 0.4 . 1 . . . . 278 THR CA . 6936 1 1628 . 2 2 110 110 THR CB C 13 69.793 0.4 . 1 . . . . 278 THR CB . 6936 1 1629 . 2 2 110 110 THR CG2 C 13 21.563 0.4 . 1 . . . . 278 THR CG2 . 6936 1 1630 . 2 2 110 110 THR N N 15 113.394 0.1 . 1 . . . . 278 THR N . 6936 1 1631 . 2 2 111 111 GLY H H 1 8.414 0.02 . 1 . . . . 279 GLY HN . 6936 1 1632 . 2 2 111 111 GLY HA2 H 1 3.992 0.02 . 1 . . . . 279 GLY HA# . 6936 1 1633 . 2 2 111 111 GLY HA3 H 1 3.992 0.02 . 1 . . . . 279 GLY HA# . 6936 1 1634 . 2 2 111 111 GLY C C 13 174.405 0.4 . 1 . . . . 279 GLY CO . 6936 1 1635 . 2 2 111 111 GLY CA C 13 45.258 0.4 . 1 . . . . 279 GLY CA . 6936 1 1636 . 2 2 111 111 GLY N N 15 111.234 0.1 . 1 . . . . 279 GLY N . 6936 1 1637 . 2 2 112 112 THR H H 1 8.066 0.02 . 1 . . . . 280 THR HN . 6936 1 1638 . 2 2 112 112 THR HA H 1 4.302 0.02 . 1 . . . . 280 THR HA . 6936 1 1639 . 2 2 112 112 THR HB H 1 4.175 0.02 . 1 . . . . 280 THR HB . 6936 1 1640 . 2 2 112 112 THR HG21 H 1 1.156 0.02 . 1 . . . . 280 THR HG2# . 6936 1 1641 . 2 2 112 112 THR HG22 H 1 1.156 0.02 . 1 . . . . 280 THR HG2# . 6936 1 1642 . 2 2 112 112 THR HG23 H 1 1.156 0.02 . 1 . . . . 280 THR HG2# . 6936 1 1643 . 2 2 112 112 THR C C 13 174.289 0.4 . 1 . . . . 280 THR CO . 6936 1 1644 . 2 2 112 112 THR CA C 13 61.609 0.4 . 1 . . . . 280 THR CA . 6936 1 1645 . 2 2 112 112 THR CB C 13 69.791 0.4 . 1 . . . . 280 THR CB . 6936 1 1646 . 2 2 112 112 THR CG2 C 13 21.577 0.4 . 1 . . . . 280 THR CG2 . 6936 1 1647 . 2 2 112 112 THR N N 15 113.935 0.1 . 1 . . . . 280 THR N . 6936 1 1648 . 2 2 113 113 ALA H H 1 8.344 0.02 . 1 . . . . 281 ALA HN . 6936 1 1649 . 2 2 113 113 ALA HA H 1 4.337 0.02 . 1 . . . . 281 ALA HA . 6936 1 1650 . 2 2 113 113 ALA HB1 H 1 1.348 0.02 . 1 . . . . 281 ALA HB# . 6936 1 1651 . 2 2 113 113 ALA HB2 H 1 1.348 0.02 . 1 . . . . 281 ALA HB# . 6936 1 1652 . 2 2 113 113 ALA HB3 H 1 1.348 0.02 . 1 . . . . 281 ALA HB# . 6936 1 1653 . 2 2 113 113 ALA C C 13 177.427 0.4 . 1 . . . . 281 ALA CO . 6936 1 1654 . 2 2 113 113 ALA CA C 13 52.31 0.4 . 1 . . . . 281 ALA CA . 6936 1 1655 . 2 2 113 113 ALA CB C 13 19.694 0.4 . 1 . . . . 281 ALA CB . 6936 1 1656 . 2 2 113 113 ALA N N 15 126.773 0.1 . 1 . . . . 281 ALA N . 6936 1 1657 . 2 2 114 114 SER H H 1 8.319 0.02 . 1 . . . . 282 SER HN . 6936 1 1658 . 2 2 114 114 SER HA H 1 4.701 0.02 . 1 . . . . 282 SER HA . 6936 1 1659 . 2 2 114 114 SER HB2 H 1 3.834 0.02 . 1 . . . . 282 SER HB# . 6936 1 1660 . 2 2 114 114 SER HB3 H 1 3.834 0.02 . 1 . . . . 282 SER HB# . 6936 1 1661 . 2 2 114 114 SER C C 13 173.168 0.4 . 1 . . . . 282 SER CO . 6936 1 1662 . 2 2 114 114 SER CA C 13 56.243 0.4 . 1 . . . . 282 SER CA . 6936 1 1663 . 2 2 114 114 SER CB C 13 63.36 0.4 . 1 . . . . 282 SER CB . 6936 1 1664 . 2 2 114 114 SER N N 15 116.938 0.1 . 1 . . . . 282 SER N . 6936 1 1665 . 2 2 115 115 PRO HA H 1 4.388 0.02 . 1 . . . . 283 PRO HA . 6936 1 1666 . 2 2 115 115 PRO HB2 H 1 1.887 0.02 . 2 . . . . 283 PRO HB1 . 6936 1 1667 . 2 2 115 115 PRO HB3 H 1 2.251 0.02 . 2 . . . . 283 PRO HB2 . 6936 1 1668 . 2 2 115 115 PRO HG2 H 1 1.975 0.02 . 1 . . . . 283 PRO HG# . 6936 1 1669 . 2 2 115 115 PRO HG3 H 1 1.975 0.02 . 1 . . . . 283 PRO HG# . 6936 1 1670 . 2 2 115 115 PRO HD2 H 1 3.714 0.02 . 2 . . . . 283 PRO HD1 . 6936 1 1671 . 2 2 115 115 PRO HD3 H 1 3.769 0.02 . 2 . . . . 283 PRO HD2 . 6936 1 1672 . 2 2 115 115 PRO C C 13 176.618 0.4 . 1 . . . . 283 PRO CO . 6936 1 1673 . 2 2 115 115 PRO CA C 13 63.552 0.4 . 1 . . . . 283 PRO CA . 6936 1 1674 . 2 2 115 115 PRO CB C 13 32.112 0.4 . 1 . . . . 283 PRO CB . 6936 1 1675 . 2 2 115 115 PRO CG C 13 27.33 0.4 . 1 . . . . 283 PRO CG . 6936 1 1676 . 2 2 115 115 PRO CD C 13 50.814 0.4 . 1 . . . . 283 PRO CD . 6936 1 1677 . 2 2 116 116 ASP H H 1 8.331 0.02 . 1 . . . . 284 ASP HN . 6936 1 1678 . 2 2 116 116 ASP HA H 1 4.578 0.02 . 1 . . . . 284 ASP HA . 6936 1 1679 . 2 2 116 116 ASP HB2 H 1 2.54 0.02 . 2 . . . . 284 ASP HB1 . 6936 1 1680 . 2 2 116 116 ASP HB3 H 1 2.685 0.02 . 2 . . . . 284 ASP HB2 . 6936 1 1681 . 2 2 116 116 ASP C C 13 176.48 0.4 . 1 . . . . 284 ASP CO . 6936 1 1682 . 2 2 116 116 ASP CA C 13 54.262 0.4 . 1 . . . . 284 ASP CA . 6936 1 1683 . 2 2 116 116 ASP CB C 13 41.171 0.4 . 1 . . . . 284 ASP CB . 6936 1 1684 . 2 2 116 116 ASP N N 15 120.152 0.1 . 1 . . . . 284 ASP N . 6936 1 1685 . 2 2 117 117 VAL H H 1 7.953 0.02 . 1 . . . . 285 VAL HN . 6936 1 1686 . 2 2 117 117 VAL HA H 1 4.062 0.02 . 1 . . . . 285 VAL HA . 6936 1 1687 . 2 2 117 117 VAL HB H 1 2.098 0.02 . 1 . . . . 285 VAL HB . 6936 1 1688 . 2 2 117 117 VAL HG11 H 1 0.899 0.02 . 2 . . . . 285 VAL HG1# . 6936 1 1689 . 2 2 117 117 VAL HG12 H 1 0.899 0.02 . 2 . . . . 285 VAL HG1# . 6936 1 1690 . 2 2 117 117 VAL HG13 H 1 0.899 0.02 . 2 . . . . 285 VAL HG1# . 6936 1 1691 . 2 2 117 117 VAL HG21 H 1 0.894 0.02 . 2 . . . . 285 VAL HG2# . 6936 1 1692 . 2 2 117 117 VAL HG22 H 1 0.894 0.02 . 2 . . . . 285 VAL HG2# . 6936 1 1693 . 2 2 117 117 VAL HG23 H 1 0.894 0.02 . 2 . . . . 285 VAL HG2# . 6936 1 1694 . 2 2 117 117 VAL C C 13 176.195 0.4 . 1 . . . . 285 VAL CO . 6936 1 1695 . 2 2 117 117 VAL CA C 13 62.253 0.4 . 1 . . . . 285 VAL CA . 6936 1 1696 . 2 2 117 117 VAL CB C 13 32.533 0.4 . 1 . . . . 285 VAL CB . 6936 1 1697 . 2 2 117 117 VAL CG1 C 13 20.549 0.4 . 2 . . . . 285 VAL CG1 . 6936 1 1698 . 2 2 117 117 VAL CG2 C 13 21.184 0.4 . 2 . . . . 285 VAL CG2 . 6936 1 1699 . 2 2 117 117 VAL N N 15 120.568 0.1 . 1 . . . . 285 VAL N . 6936 1 1700 . 2 2 118 118 ARG H H 1 8.311 0.02 . 1 . . . . 286 ARG HN . 6936 1 1701 . 2 2 118 118 ARG HA H 1 4.27 0.02 . 1 . . . . 286 ARG HA . 6936 1 1702 . 2 2 118 118 ARG HB2 H 1 1.738 0.02 . 1 . . . . 286 ARG HB# . 6936 1 1703 . 2 2 118 118 ARG HB3 H 1 1.738 0.02 . 1 . . . . 286 ARG HB# . 6936 1 1704 . 2 2 118 118 ARG HG2 H 1 1.573 0.02 . 1 . . . . 286 ARG HG# . 6936 1 1705 . 2 2 118 118 ARG HG3 H 1 1.573 0.02 . 1 . . . . 286 ARG HG# . 6936 1 1706 . 2 2 118 118 ARG HD2 H 1 3.128 0.02 . 1 . . . . 286 ARG HD# . 6936 1 1707 . 2 2 118 118 ARG HD3 H 1 3.128 0.02 . 1 . . . . 286 ARG HD# . 6936 1 1708 . 2 2 118 118 ARG C C 13 176.282 0.4 . 1 . . . . 286 ARG CO . 6936 1 1709 . 2 2 118 118 ARG CA C 13 56.211 0.4 . 1 . . . . 286 ARG CA . 6936 1 1710 . 2 2 118 118 ARG CB C 13 30.754 0.4 . 1 . . . . 286 ARG CB . 6936 1 1711 . 2 2 118 118 ARG CG C 13 28.668 0.4 . 1 . . . . 286 ARG CG . 6936 1 1712 . 2 2 118 118 ARG CD C 13 43.235 0.4 . 1 . . . . 286 ARG CD . 6936 1 1713 . 2 2 118 118 ARG N N 15 124.245 0.1 . 1 . . . . 286 ARG N . 6936 1 1714 . 2 2 119 119 ARG H H 1 8.298 0.02 . 1 . . . . 287 ARG HN . 6936 1 1715 . 2 2 119 119 ARG HA H 1 4.331 0.02 . 1 . . . . 287 ARG HA . 6936 1 1716 . 2 2 119 119 ARG HB2 H 1 1.79 0.02 . 1 . . . . 287 ARG HB# . 6936 1 1717 . 2 2 119 119 ARG HB3 H 1 1.79 0.02 . 1 . . . . 287 ARG HB# . 6936 1 1718 . 2 2 119 119 ARG HG2 H 1 1.582 0.02 . 1 . . . . 287 ARG HG# . 6936 1 1719 . 2 2 119 119 ARG HG3 H 1 1.582 0.02 . 1 . . . . 287 ARG HG# . 6936 1 1720 . 2 2 119 119 ARG HD2 H 1 3.148 0.02 . 1 . . . . 287 ARG HD# . 6936 1 1721 . 2 2 119 119 ARG HD3 H 1 3.148 0.02 . 1 . . . . 287 ARG HD# . 6936 1 1722 . 2 2 119 119 ARG C C 13 176.212 0.4 . 1 . . . . 287 ARG CO . 6936 1 1723 . 2 2 119 119 ARG CA C 13 55.992 0.4 . 1 . . . . 287 ARG CA . 6936 1 1724 . 2 2 119 119 ARG CB C 13 30.756 0.4 . 1 . . . . 287 ARG CB . 6936 1 1725 . 2 2 119 119 ARG CG C 13 28.666 0.4 . 1 . . . . 287 ARG CG . 6936 1 1726 . 2 2 119 119 ARG CD C 13 43.241 0.4 . 1 . . . . 287 ARG CD . 6936 1 1727 . 2 2 119 119 ARG N N 15 122.807 0.1 . 1 . . . . 287 ARG N . 6936 1 1728 . 2 2 120 120 VAL H H 1 8.138 0.02 . 1 . . . . 288 VAL HN . 6936 1 1729 . 2 2 120 120 VAL HA H 1 4.063 0.02 . 1 . . . . 288 VAL HA . 6936 1 1730 . 2 2 120 120 VAL HB H 1 2.022 0.02 . 1 . . . . 288 VAL HB . 6936 1 1731 . 2 2 120 120 VAL HG11 H 1 0.895 0.02 . 2 . . . . 288 VAL HG1# . 6936 1 1732 . 2 2 120 120 VAL HG12 H 1 0.895 0.02 . 2 . . . . 288 VAL HG1# . 6936 1 1733 . 2 2 120 120 VAL HG13 H 1 0.895 0.02 . 2 . . . . 288 VAL HG1# . 6936 1 1734 . 2 2 120 120 VAL HG21 H 1 0.889 0.02 . 2 . . . . 288 VAL HG2# . 6936 1 1735 . 2 2 120 120 VAL HG22 H 1 0.889 0.02 . 2 . . . . 288 VAL HG2# . 6936 1 1736 . 2 2 120 120 VAL HG23 H 1 0.889 0.02 . 2 . . . . 288 VAL HG2# . 6936 1 1737 . 2 2 120 120 VAL C C 13 175.983 0.4 . 1 . . . . 288 VAL CO . 6936 1 1738 . 2 2 120 120 VAL CA C 13 62.168 0.4 . 1 . . . . 288 VAL CA . 6936 1 1739 . 2 2 120 120 VAL CB C 13 32.824 0.4 . 1 . . . . 288 VAL CB . 6936 1 1740 . 2 2 120 120 VAL CG1 C 13 20.544 0.4 . 2 . . . . 288 VAL CG1 . 6936 1 1741 . 2 2 120 120 VAL CG2 C 13 21.193 0.4 . 2 . . . . 288 VAL CG2 . 6936 1 1742 . 2 2 120 120 VAL N N 15 121.669 0.1 . 1 . . . . 288 VAL N . 6936 1 1743 . 2 2 121 121 GLN H H 1 8.47 0.02 . 1 . . . . 289 GLN HN . 6936 1 1744 . 2 2 121 121 GLN HA H 1 4.354 0.02 . 1 . . . . 289 GLN HA . 6936 1 1745 . 2 2 121 121 GLN HB2 H 1 1.933 0.02 . 2 . . . . 289 GLN HB1 . 6936 1 1746 . 2 2 121 121 GLN HB3 H 1 2.038 0.02 . 2 . . . . 289 GLN HB2 . 6936 1 1747 . 2 2 121 121 GLN C C 13 175.716 0.4 . 1 . . . . 289 GLN CO . 6936 1 1748 . 2 2 121 121 GLN CA C 13 55.423 0.4 . 1 . . . . 289 GLN CA . 6936 1 1749 . 2 2 121 121 GLN CB C 13 29.457 0.4 . 1 . . . . 289 GLN CB . 6936 1 1750 . 2 2 121 121 GLN N N 15 124.626 0.1 . 1 . . . . 289 GLN N . 6936 1 1751 . 2 2 122 122 ILE H H 1 8.284 0.02 . 1 . . . . 290 ILE HN . 6936 1 1752 . 2 2 122 122 ILE HA H 1 4.131 0.02 . 1 . . . . 290 ILE HA . 6936 1 1753 . 2 2 122 122 ILE HB H 1 1.833 0.02 . 1 . . . . 290 ILE HB . 6936 1 1754 . 2 2 122 122 ILE HG12 H 1 1.151 0.02 . 2 . . . . 290 ILE HG11 . 6936 1 1755 . 2 2 122 122 ILE HG13 H 1 1.443 0.02 . 2 . . . . 290 ILE HG12 . 6936 1 1756 . 2 2 122 122 ILE HG21 H 1 0.883 0.02 . 1 . . . . 290 ILE HG2# . 6936 1 1757 . 2 2 122 122 ILE HG22 H 1 0.883 0.02 . 1 . . . . 290 ILE HG2# . 6936 1 1758 . 2 2 122 122 ILE HG23 H 1 0.883 0.02 . 1 . . . . 290 ILE HG2# . 6936 1 1759 . 2 2 122 122 ILE HD11 H 1 0.821 0.02 . 1 . . . . 290 ILE HD1# . 6936 1 1760 . 2 2 122 122 ILE HD12 H 1 0.821 0.02 . 1 . . . . 290 ILE HD1# . 6936 1 1761 . 2 2 122 122 ILE HD13 H 1 0.821 0.02 . 1 . . . . 290 ILE HD1# . 6936 1 1762 . 2 2 122 122 ILE C C 13 176.722 0.4 . 1 . . . . 290 ILE CO . 6936 1 1763 . 2 2 122 122 ILE CA C 13 61.32 0.4 . 1 . . . . 290 ILE CA . 6936 1 1764 . 2 2 122 122 ILE CB C 13 38.75 0.4 . 1 . . . . 290 ILE CB . 6936 1 1765 . 2 2 122 122 ILE CG1 C 13 27.357 0.4 . 1 . . . . 290 ILE CG1 . 6936 1 1766 . 2 2 122 122 ILE CG2 C 13 17.478 0.4 . 1 . . . . 290 ILE CG2 . 6936 1 1767 . 2 2 122 122 ILE CD1 C 13 12.931 0.4 . 1 . . . . 290 ILE CD1 . 6936 1 1768 . 2 2 122 122 ILE N N 15 122.988 0.1 . 1 . . . . 290 ILE N . 6936 1 1769 . 2 2 123 123 GLY H H 1 8.49 0.02 . 1 . . . . 291 GLY HN . 6936 1 1770 . 2 2 123 123 GLY HA2 H 1 3.971 0.02 . 1 . . . . 291 GLY HA# . 6936 1 1771 . 2 2 123 123 GLY HA3 H 1 3.971 0.02 . 1 . . . . 291 GLY HA# . 6936 1 1772 . 2 2 123 123 GLY C C 13 174.08 0.4 . 1 . . . . 291 GLY CO . 6936 1 1773 . 2 2 123 123 GLY CA C 13 45.196 0.4 . 1 . . . . 291 GLY CA . 6936 1 1774 . 2 2 123 123 GLY N N 15 113.362 0.1 . 1 . . . . 291 GLY N . 6936 1 1775 . 2 2 124 124 GLU H H 1 8.247 0.02 . 1 . . . . 292 GLU HN . 6936 1 1776 . 2 2 124 124 GLU HA H 1 4.31 0.02 . 1 . . . . 292 GLU HA . 6936 1 1777 . 2 2 124 124 GLU HB2 H 1 1.871 0.02 . 2 . . . . 292 GLU HB1 . 6936 1 1778 . 2 2 124 124 GLU HB3 H 1 2.06 0.02 . 2 . . . . 292 GLU HB2 . 6936 1 1779 . 2 2 124 124 GLU HG2 H 1 2.212 0.02 . 1 . . . . 292 GLU HG# . 6936 1 1780 . 2 2 124 124 GLU HG3 H 1 2.212 0.02 . 1 . . . . 292 GLU HG# . 6936 1 1781 . 2 2 124 124 GLU C C 13 176.158 0.4 . 1 . . . . 292 GLU CO . 6936 1 1782 . 2 2 124 124 GLU CA C 13 56.165 0.4 . 1 . . . . 292 GLU CA . 6936 1 1783 . 2 2 124 124 GLU CB C 13 30.643 0.4 . 1 . . . . 292 GLU CB . 6936 1 1784 . 2 2 124 124 GLU CG C 13 36.324 0.4 . 1 . . . . 292 GLU CG . 6936 1 1785 . 2 2 124 124 GLU N N 15 120.434 0.1 . 1 . . . . 292 GLU N . 6936 1 1786 . 2 2 125 125 ASP H H 1 8.445 0.02 . 1 . . . . 293 ASP HN . 6936 1 1787 . 2 2 125 125 ASP HA H 1 4.617 0.02 . 1 . . . . 293 ASP HA . 6936 1 1788 . 2 2 125 125 ASP HB2 H 1 2.545 0.02 . 2 . . . . 293 ASP HB1 . 6936 1 1789 . 2 2 125 125 ASP HB3 H 1 2.689 0.02 . 2 . . . . 293 ASP HB2 . 6936 1 1790 . 2 2 125 125 ASP C C 13 175.109 0.4 . 1 . . . . 293 ASP CO . 6936 1 1791 . 2 2 125 125 ASP CA C 13 54.261 0.4 . 1 . . . . 293 ASP CA . 6936 1 1792 . 2 2 125 125 ASP CB C 13 41.178 0.4 . 1 . . . . 293 ASP CB . 6936 1 1793 . 2 2 125 125 ASP N N 15 121.416 0.1 . 1 . . . . 293 ASP N . 6936 1 1794 . 2 2 126 126 ASN H H 1 7.932 0.02 . 1 . . . . 294 ASN HN . 6936 1 1795 . 2 2 126 126 ASN HA H 1 4.417 0.02 . 1 . . . . 294 ASN HA . 6936 1 1796 . 2 2 126 126 ASN HB2 H 1 2.633 0.02 . 2 . . . . 294 ASN HB1 . 6936 1 1797 . 2 2 126 126 ASN HB3 H 1 2.712 0.02 . 2 . . . . 294 ASN HB2 . 6936 1 1798 . 2 2 126 126 ASN C C 13 179.578 0.4 . 1 . . . . 294 ASN CO . 6936 1 1799 . 2 2 126 126 ASN CA C 13 54.763 0.4 . 1 . . . . 294 ASN CA . 6936 1 1800 . 2 2 126 126 ASN CB C 13 40.641 0.4 . 1 . . . . 294 ASN CB . 6936 1 1801 . 2 2 126 126 ASN N N 15 124.221 0.1 . 1 . . . . 294 ASN N . 6936 1 stop_ save_