data_15525 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15525 _Entry.Title ; 1H, 13C and 15N Resonance assignments for the human RLIP76 Ral binding domain and RalB in complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-15 _Entry.Accession_date 2007-10-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Robert Fenwick . B. . 15525 2 Sunil Prasannan . . . 15525 3 Louise Campbell . J. . 15525 4 Katrina Evetts . A. . 15525 5 Daniel Nietlispach . . . 15525 6 Darerca Owen . . . 15525 7 Helen Mott . R. . 15525 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15525 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1007 15525 '15N chemical shifts' 250 15525 '1H chemical shifts' 1707 15525 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 3 . . 2009-08-12 2007-10-15 update BMRB 'added PubMed ID' 15525 2 . . 2008-12-03 2007-10-15 update BMRB 'complete entry citation' 15525 1 . . 2008-10-14 2007-10-15 original author 'original release' 15525 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15524 'Ral binding domain of RLIP76' 15525 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15525 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636902 _Citation.Full_citation . _Citation.Title 'Resonance assignments for the RLIP76 Ral binding domain in its free form and in complex with the small G protein RalB' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 191 _Citation.Page_last 194 _Citation.Year 2008 _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 'R Bryn' Fenwick . . . 15525 1 2 Sunil Prasannan . . . 15525 1 3 Louise Campbell . J. . 15525 1 4 Katrina Evetts . A. . 15525 1 5 Daniel Nietlispach . . . 15525 1 6 Darerca Owen . . . 15525 1 7 Helen Mott . R. . 15525 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15525 _Assembly.ID 1 _Assembly.Name RLIP76 _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Ral binding domain of RLIP76 and RalB in complex' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RLIP76 1 $RLIP76 A . yes native no no . . . 15525 1 2 RalB 2 $RalB B . yes native no no . . . 15525 1 3 GMPPNP 3 $GNP C . yes native no no . . . 15525 1 4 'Magnesium ion' 4 $MG D . no native no no . . . 15525 1 5 'BOUND WATER, 1' 5 $HOH E . no native no no . . . 15525 1 6 'BOUND WATER, 2' 5 $HOH F . no native no no . . . 15525 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RLIP76 _Entity.Sf_category entity _Entity.Sf_framecode RLIP76 _Entity.Entry_ID 15525 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RLIP76 _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 ; GSETQAGIKEEIRRQEFLLN SLHRDLQGGIKDLSKEERLW EVQRILTALKRKLREA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two residues are a tag remnant. The protein starts at E393 and ends at A446' _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RLIP76 Ral binding domain' _Entity.Mutation 'This protein contains the mutation C411S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15524 . RLIP76 . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15525 1 2 no PDB 2KWH . "Ral Binding Domain Of Rlip76 (Ralbp1)" . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15525 1 3 no PDB 2KWI . "Ralb-Rlip76 (Ralbp1) Complex" . . . . . 100.00 56 100.00 100.00 5.68e-29 . . . . 15525 1 4 no GB AAI45321 . "Ralbp1 protein [Mus musculus]" . . . . . 75.00 594 97.62 97.62 3.07e-17 . . . . 15525 1 5 no REF XP_004656898 . "PREDICTED: ralA-binding protein 1 isoform X2 [Jaculus jaculus]" . . . . . 75.00 601 97.62 97.62 3.21e-17 . . . . 15525 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 1 391 GLY . 15525 1 2 392 SER . 15525 1 3 393 GLU . 15525 1 4 394 THR . 15525 1 5 395 GLN . 15525 1 6 396 ALA . 15525 1 7 397 GLY . 15525 1 8 398 ILE . 15525 1 9 399 LYS . 15525 1 10 400 GLU . 15525 1 11 401 GLU . 15525 1 12 402 ILE . 15525 1 13 403 ARG . 15525 1 14 404 ARG . 15525 1 15 405 GLN . 15525 1 16 406 GLU . 15525 1 17 407 PHE . 15525 1 18 408 LEU . 15525 1 19 409 LEU . 15525 1 20 410 ASN . 15525 1 21 411 SER . 15525 1 22 412 LEU . 15525 1 23 413 HIS . 15525 1 24 414 ARG . 15525 1 25 415 ASP . 15525 1 26 416 LEU . 15525 1 27 417 GLN . 15525 1 28 418 GLY . 15525 1 29 419 GLY . 15525 1 30 420 ILE . 15525 1 31 421 LYS . 15525 1 32 422 ASP . 15525 1 33 423 LEU . 15525 1 34 424 SER . 15525 1 35 425 LYS . 15525 1 36 426 GLU . 15525 1 37 427 GLU . 15525 1 38 428 ARG . 15525 1 39 429 LEU . 15525 1 40 430 TRP . 15525 1 41 431 GLU . 15525 1 42 432 VAL . 15525 1 43 433 GLN . 15525 1 44 434 ARG . 15525 1 45 435 ILE . 15525 1 46 436 LEU . 15525 1 47 437 THR . 15525 1 48 438 ALA . 15525 1 49 439 LEU . 15525 1 50 440 LYS . 15525 1 51 441 ARG . 15525 1 52 442 LYS . 15525 1 53 443 LEU . 15525 1 54 444 ARG . 15525 1 55 445 GLU . 15525 1 56 446 ALA . 15525 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 15525 1 . SER 2 2 15525 1 . GLU 3 3 15525 1 . THR 4 4 15525 1 . GLN 5 5 15525 1 . ALA 6 6 15525 1 . GLY 7 7 15525 1 . ILE 8 8 15525 1 . LYS 9 9 15525 1 . GLU 10 10 15525 1 . GLU 11 11 15525 1 . ILE 12 12 15525 1 . ARG 13 13 15525 1 . ARG 14 14 15525 1 . GLN 15 15 15525 1 . GLU 16 16 15525 1 . PHE 17 17 15525 1 . LEU 18 18 15525 1 . LEU 19 19 15525 1 . ASN 20 20 15525 1 . SER 21 21 15525 1 . LEU 22 22 15525 1 . HIS 23 23 15525 1 . ARG 24 24 15525 1 . ASP 25 25 15525 1 . LEU 26 26 15525 1 . GLN 27 27 15525 1 . GLY 28 28 15525 1 . GLY 29 29 15525 1 . ILE 30 30 15525 1 . LYS 31 31 15525 1 . ASP 32 32 15525 1 . LEU 33 33 15525 1 . SER 34 34 15525 1 . LYS 35 35 15525 1 . GLU 36 36 15525 1 . GLU 37 37 15525 1 . ARG 38 38 15525 1 . LEU 39 39 15525 1 . TRP 40 40 15525 1 . GLU 41 41 15525 1 . VAL 42 42 15525 1 . GLN 43 43 15525 1 . ARG 44 44 15525 1 . ILE 45 45 15525 1 . LEU 46 46 15525 1 . THR 47 47 15525 1 . ALA 48 48 15525 1 . LEU 49 49 15525 1 . LYS 50 50 15525 1 . ARG 51 51 15525 1 . LYS 52 52 15525 1 . LEU 53 53 15525 1 . ARG 54 54 15525 1 . GLU 55 55 15525 1 . ALA 56 56 15525 1 stop_ save_ save_RalB _Entity.Sf_category entity _Entity.Sf_framecode RalB _Entity.Entry_ID 15525 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RalB _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 ; GSHMAANKSKGQSSLALHKV IMVGSGGVGKSALTLQFMYD EFVEDYEPTKADSYRKKVVL DGEEVQIDILDTAGLEDYAA IRDNYFRSGEGFLLVFSITE HESFTATAEFREQILRVKAE EDKIPLLVVGNKSDLEERRQ VPVEEARSKAEEWGVQYVET SAKTRANVDKVFFDLMREIR TKKMSENK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first three residues are a tag remnant. The protein starts at M1 and ends at K185' _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'C-terminally truncated RalB' _Entity.Mutation 'The construct contains the mutation Q72L' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminus of the protein has been removed' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15230 . RalB . . . . . 98.94 186 100.00 100.00 1.32e-131 . . . . 15525 2 2 no BMRB 15803 . RalB . . . . . 100.00 188 100.00 100.00 3.34e-133 . . . . 15525 2 3 no PDB 2KE5 . "Solution Structure And Dynamics Of The Small Gtpase Ralb In Its Active Conformation: Significance For Effector Protein Binding" . . . . . 92.55 174 100.00 100.00 9.20e-122 . . . . 15525 2 4 no PDB 2KWI . "Ralb-Rlip76 (Ralbp1) Complex" . . . . . 94.68 178 100.00 100.00 7.77e-125 . . . . 15525 2 5 no DBJ BAE02438 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.40 206 99.46 99.46 2.63e-129 . . . . 15525 2 6 no DBJ BAG35360 . "unnamed protein product [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 7 no DBJ BAG64302 . "unnamed protein product [Homo sapiens]" . . . . . 99.47 228 98.93 98.93 3.27e-130 . . . . 15525 2 8 no DBJ BAJ20798 . "v-ral simian leukemia viral oncogene homolog B [synthetic construct]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 9 no EMBL CAA33119 . "unnamed protein product [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 10 no EMBL CAH93398 . "hypothetical protein [Pongo abelii]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 11 no GB AAA60250 . "GTP-binding protein (RALB) [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 12 no GB AAH18163 . "V-ral simian leukemia viral oncogene homolog B (ras related; GTP binding protein) [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 13 no GB AAI46174 . "RALB protein [Bos taurus]" . . . . . 98.40 206 97.84 98.38 1.41e-126 . . . . 15525 2 14 no GB AAM12625 . "Ras family small GTP binding protein RALB [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 15 no GB AAP35599 . "v-ral simian leukemia viral oncogene homolog B (ras related; GTP binding protein) [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 16 no REF NP_001091454 . "ras-related protein Ral-B [Bos taurus]" . . . . . 98.40 206 97.84 98.38 1.41e-126 . . . . 15525 2 17 no REF NP_001126995 . "ras-related protein Ral-B precursor [Pongo abelii]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 18 no REF NP_001244728 . "ras-related protein Ral-B [Macaca mulatta]" . . . . . 98.40 206 99.46 99.46 2.63e-129 . . . . 15525 2 19 no REF NP_002872 . "ras-related protein Ral-B [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 20 no REF XP_001492315 . "PREDICTED: ras-related protein Ral-B [Equus caballus]" . . . . . 98.40 206 97.30 97.84 4.43e-127 . . . . 15525 2 21 no SP P11234 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 22 no SP Q4R379 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor [Macaca fascicularis]" . . . . . 98.40 206 99.46 99.46 2.63e-129 . . . . 15525 2 23 no SP Q5R4B8 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor [Pongo abelii]" . . . . . 98.40 206 99.46 99.46 1.87e-129 . . . . 15525 2 24 no TPG DAA32595 . "TPA: v-ral simian leukemia viral oncogene homolog B [Bos taurus]" . . . . . 98.40 206 97.84 98.38 1.41e-126 . . . . 15525 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 15525 2 2 -1 SER . 15525 2 3 0 HIS . 15525 2 4 1 MET . 15525 2 5 2 ALA . 15525 2 6 3 ALA . 15525 2 7 4 ASN . 15525 2 8 5 LYS . 15525 2 9 6 SER . 15525 2 10 7 LYS . 15525 2 11 8 GLY . 15525 2 12 9 GLN . 15525 2 13 10 SER . 15525 2 14 11 SER . 15525 2 15 12 LEU . 15525 2 16 13 ALA . 15525 2 17 14 LEU . 15525 2 18 15 HIS . 15525 2 19 16 LYS . 15525 2 20 17 VAL . 15525 2 21 18 ILE . 15525 2 22 19 MET . 15525 2 23 20 VAL . 15525 2 24 21 GLY . 15525 2 25 22 SER . 15525 2 26 23 GLY . 15525 2 27 24 GLY . 15525 2 28 25 VAL . 15525 2 29 26 GLY . 15525 2 30 27 LYS . 15525 2 31 28 SER . 15525 2 32 29 ALA . 15525 2 33 30 LEU . 15525 2 34 31 THR . 15525 2 35 32 LEU . 15525 2 36 33 GLN . 15525 2 37 34 PHE . 15525 2 38 35 MET . 15525 2 39 36 TYR . 15525 2 40 37 ASP . 15525 2 41 38 GLU . 15525 2 42 39 PHE . 15525 2 43 40 VAL . 15525 2 44 41 GLU . 15525 2 45 42 ASP . 15525 2 46 43 TYR . 15525 2 47 44 GLU . 15525 2 48 45 PRO . 15525 2 49 46 THR . 15525 2 50 47 LYS . 15525 2 51 48 ALA . 15525 2 52 49 ASP . 15525 2 53 50 SER . 15525 2 54 51 TYR . 15525 2 55 52 ARG . 15525 2 56 53 LYS . 15525 2 57 54 LYS . 15525 2 58 55 VAL . 15525 2 59 56 VAL . 15525 2 60 57 LEU . 15525 2 61 58 ASP . 15525 2 62 59 GLY . 15525 2 63 60 GLU . 15525 2 64 61 GLU . 15525 2 65 62 VAL . 15525 2 66 63 GLN . 15525 2 67 64 ILE . 15525 2 68 65 ASP . 15525 2 69 66 ILE . 15525 2 70 67 LEU . 15525 2 71 68 ASP . 15525 2 72 69 THR . 15525 2 73 70 ALA . 15525 2 74 71 GLY . 15525 2 75 72 LEU . 15525 2 76 73 GLU . 15525 2 77 74 ASP . 15525 2 78 75 TYR . 15525 2 79 76 ALA . 15525 2 80 77 ALA . 15525 2 81 78 ILE . 15525 2 82 79 ARG . 15525 2 83 80 ASP . 15525 2 84 81 ASN . 15525 2 85 82 TYR . 15525 2 86 83 PHE . 15525 2 87 84 ARG . 15525 2 88 85 SER . 15525 2 89 86 GLY . 15525 2 90 87 GLU . 15525 2 91 88 GLY . 15525 2 92 89 PHE . 15525 2 93 90 LEU . 15525 2 94 91 LEU . 15525 2 95 92 VAL . 15525 2 96 93 PHE . 15525 2 97 94 SER . 15525 2 98 95 ILE . 15525 2 99 96 THR . 15525 2 100 97 GLU . 15525 2 101 98 HIS . 15525 2 102 99 GLU . 15525 2 103 100 SER . 15525 2 104 101 PHE . 15525 2 105 102 THR . 15525 2 106 103 ALA . 15525 2 107 104 THR . 15525 2 108 105 ALA . 15525 2 109 106 GLU . 15525 2 110 107 PHE . 15525 2 111 108 ARG . 15525 2 112 109 GLU . 15525 2 113 110 GLN . 15525 2 114 111 ILE . 15525 2 115 112 LEU . 15525 2 116 113 ARG . 15525 2 117 114 VAL . 15525 2 118 115 LYS . 15525 2 119 116 ALA . 15525 2 120 117 GLU . 15525 2 121 118 GLU . 15525 2 122 119 ASP . 15525 2 123 120 LYS . 15525 2 124 121 ILE . 15525 2 125 122 PRO . 15525 2 126 123 LEU . 15525 2 127 124 LEU . 15525 2 128 125 VAL . 15525 2 129 126 VAL . 15525 2 130 127 GLY . 15525 2 131 128 ASN . 15525 2 132 129 LYS . 15525 2 133 130 SER . 15525 2 134 131 ASP . 15525 2 135 132 LEU . 15525 2 136 133 GLU . 15525 2 137 134 GLU . 15525 2 138 135 ARG . 15525 2 139 136 ARG . 15525 2 140 137 GLN . 15525 2 141 138 VAL . 15525 2 142 139 PRO . 15525 2 143 140 VAL . 15525 2 144 141 GLU . 15525 2 145 142 GLU . 15525 2 146 143 ALA . 15525 2 147 144 ARG . 15525 2 148 145 SER . 15525 2 149 146 LYS . 15525 2 150 147 ALA . 15525 2 151 148 GLU . 15525 2 152 149 GLU . 15525 2 153 150 TRP . 15525 2 154 151 GLY . 15525 2 155 152 VAL . 15525 2 156 153 GLN . 15525 2 157 154 TYR . 15525 2 158 155 VAL . 15525 2 159 156 GLU . 15525 2 160 157 THR . 15525 2 161 158 SER . 15525 2 162 159 ALA . 15525 2 163 160 LYS . 15525 2 164 161 THR . 15525 2 165 162 ARG . 15525 2 166 163 ALA . 15525 2 167 164 ASN . 15525 2 168 165 VAL . 15525 2 169 166 ASP . 15525 2 170 167 LYS . 15525 2 171 168 VAL . 15525 2 172 169 PHE . 15525 2 173 170 PHE . 15525 2 174 171 ASP . 15525 2 175 172 LEU . 15525 2 176 173 MET . 15525 2 177 174 ARG . 15525 2 178 175 GLU . 15525 2 179 176 ILE . 15525 2 180 177 ARG . 15525 2 181 178 THR . 15525 2 182 179 LYS . 15525 2 183 180 LYS . 15525 2 184 181 MET . 15525 2 185 182 SER . 15525 2 186 183 GLU . 15525 2 187 184 ASN . 15525 2 188 185 LYS . 15525 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 15525 2 . SER 2 2 15525 2 . HIS 3 3 15525 2 . MET 4 4 15525 2 . ALA 5 5 15525 2 . ALA 6 6 15525 2 . ASN 7 7 15525 2 . LYS 8 8 15525 2 . SER 9 9 15525 2 . LYS 10 10 15525 2 . GLY 11 11 15525 2 . GLN 12 12 15525 2 . SER 13 13 15525 2 . SER 14 14 15525 2 . LEU 15 15 15525 2 . ALA 16 16 15525 2 . LEU 17 17 15525 2 . HIS 18 18 15525 2 . LYS 19 19 15525 2 . VAL 20 20 15525 2 . ILE 21 21 15525 2 . MET 22 22 15525 2 . VAL 23 23 15525 2 . GLY 24 24 15525 2 . SER 25 25 15525 2 . GLY 26 26 15525 2 . GLY 27 27 15525 2 . VAL 28 28 15525 2 . GLY 29 29 15525 2 . LYS 30 30 15525 2 . SER 31 31 15525 2 . ALA 32 32 15525 2 . LEU 33 33 15525 2 . THR 34 34 15525 2 . LEU 35 35 15525 2 . GLN 36 36 15525 2 . PHE 37 37 15525 2 . MET 38 38 15525 2 . TYR 39 39 15525 2 . ASP 40 40 15525 2 . GLU 41 41 15525 2 . PHE 42 42 15525 2 . VAL 43 43 15525 2 . GLU 44 44 15525 2 . ASP 45 45 15525 2 . TYR 46 46 15525 2 . GLU 47 47 15525 2 . PRO 48 48 15525 2 . THR 49 49 15525 2 . LYS 50 50 15525 2 . ALA 51 51 15525 2 . ASP 52 52 15525 2 . SER 53 53 15525 2 . TYR 54 54 15525 2 . ARG 55 55 15525 2 . LYS 56 56 15525 2 . LYS 57 57 15525 2 . VAL 58 58 15525 2 . VAL 59 59 15525 2 . LEU 60 60 15525 2 . ASP 61 61 15525 2 . GLY 62 62 15525 2 . GLU 63 63 15525 2 . GLU 64 64 15525 2 . VAL 65 65 15525 2 . GLN 66 66 15525 2 . ILE 67 67 15525 2 . ASP 68 68 15525 2 . ILE 69 69 15525 2 . LEU 70 70 15525 2 . ASP 71 71 15525 2 . THR 72 72 15525 2 . ALA 73 73 15525 2 . GLY 74 74 15525 2 . LEU 75 75 15525 2 . GLU 76 76 15525 2 . ASP 77 77 15525 2 . TYR 78 78 15525 2 . ALA 79 79 15525 2 . ALA 80 80 15525 2 . ILE 81 81 15525 2 . ARG 82 82 15525 2 . ASP 83 83 15525 2 . ASN 84 84 15525 2 . TYR 85 85 15525 2 . PHE 86 86 15525 2 . ARG 87 87 15525 2 . SER 88 88 15525 2 . GLY 89 89 15525 2 . GLU 90 90 15525 2 . GLY 91 91 15525 2 . PHE 92 92 15525 2 . LEU 93 93 15525 2 . LEU 94 94 15525 2 . VAL 95 95 15525 2 . PHE 96 96 15525 2 . SER 97 97 15525 2 . ILE 98 98 15525 2 . THR 99 99 15525 2 . GLU 100 100 15525 2 . HIS 101 101 15525 2 . GLU 102 102 15525 2 . SER 103 103 15525 2 . PHE 104 104 15525 2 . THR 105 105 15525 2 . ALA 106 106 15525 2 . THR 107 107 15525 2 . ALA 108 108 15525 2 . GLU 109 109 15525 2 . PHE 110 110 15525 2 . ARG 111 111 15525 2 . GLU 112 112 15525 2 . GLN 113 113 15525 2 . ILE 114 114 15525 2 . LEU 115 115 15525 2 . ARG 116 116 15525 2 . VAL 117 117 15525 2 . LYS 118 118 15525 2 . ALA 119 119 15525 2 . GLU 120 120 15525 2 . GLU 121 121 15525 2 . ASP 122 122 15525 2 . LYS 123 123 15525 2 . ILE 124 124 15525 2 . PRO 125 125 15525 2 . LEU 126 126 15525 2 . LEU 127 127 15525 2 . VAL 128 128 15525 2 . VAL 129 129 15525 2 . GLY 130 130 15525 2 . ASN 131 131 15525 2 . LYS 132 132 15525 2 . SER 133 133 15525 2 . ASP 134 134 15525 2 . LEU 135 135 15525 2 . GLU 136 136 15525 2 . GLU 137 137 15525 2 . ARG 138 138 15525 2 . ARG 139 139 15525 2 . GLN 140 140 15525 2 . VAL 141 141 15525 2 . PRO 142 142 15525 2 . VAL 143 143 15525 2 . GLU 144 144 15525 2 . GLU 145 145 15525 2 . ALA 146 146 15525 2 . ARG 147 147 15525 2 . SER 148 148 15525 2 . LYS 149 149 15525 2 . ALA 150 150 15525 2 . GLU 151 151 15525 2 . GLU 152 152 15525 2 . TRP 153 153 15525 2 . GLY 154 154 15525 2 . VAL 155 155 15525 2 . GLN 156 156 15525 2 . TYR 157 157 15525 2 . VAL 158 158 15525 2 . GLU 159 159 15525 2 . THR 160 160 15525 2 . SER 161 161 15525 2 . ALA 162 162 15525 2 . LYS 163 163 15525 2 . THR 164 164 15525 2 . ARG 165 165 15525 2 . ALA 166 166 15525 2 . ASN 167 167 15525 2 . VAL 168 168 15525 2 . ASP 169 169 15525 2 . LYS 170 170 15525 2 . VAL 171 171 15525 2 . PHE 172 172 15525 2 . PHE 173 173 15525 2 . ASP 174 174 15525 2 . LEU 175 175 15525 2 . MET 176 176 15525 2 . ARG 177 177 15525 2 . GLU 178 178 15525 2 . ILE 179 179 15525 2 . ARG 180 180 15525 2 . THR 181 181 15525 2 . LYS 182 182 15525 2 . LYS 183 183 15525 2 . MET 184 184 15525 2 . SER 185 185 15525 2 . GLU 186 186 15525 2 . ASN 187 187 15525 2 . LYS 188 188 15525 2 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 15525 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name GNP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GNP . 15525 3 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 15525 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 15525 4 stop_ save_ save_HOH _Entity.Sf_category entity _Entity.Sf_framecode HOH _Entity.Entry_ID 15525 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name HOH _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 5 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HOH . 15525 5 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 15525 _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 $RLIP76 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15525 1 2 2 $RalB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15525 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 15525 _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 $RLIP76 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 15525 1 2 2 $RalB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-16b . . . . . . 15525 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 15525 _Chem_comp.ID GNP _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:42:32 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 15525 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15525 GNP InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 15525 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 15525 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 15525 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 15525 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 15525 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15525 GNP 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 15525 GNP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 15525 GNP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 15525 GNP O2G . O2G . . O . . N 0 . . . . no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 15525 GNP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 15525 GNP N3B . N3B . . N . . N 0 . . . . no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 15525 GNP PB . PB . . P . . R 0 . . . . no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 15525 GNP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 15525 GNP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 15525 GNP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 15525 GNP PA . PA . . P . . S 0 . . . . no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 15525 GNP O1A . O1A . . O . . N 0 . . . . no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 15525 GNP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 15525 GNP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 15525 GNP C5' . C5' . . C . . N 0 . . . . no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 15525 GNP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 15525 GNP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 15525 GNP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 15525 GNP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 15525 GNP C2' . C2' . . C . . R 0 . . . . no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 15525 GNP O2' . O2' . . O . . N 0 . . . . no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 15525 GNP C1' . C1' . . C . . R 0 . . . . no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 15525 GNP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 15525 GNP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 15525 GNP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 15525 GNP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 15525 GNP C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 15525 GNP O6 . O6 . . O . . N 0 . . . . no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 15525 GNP N1 . N1 . . N . . N 0 . . . . yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 15525 GNP C2 . C2 . . C . . N 0 . . . . yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 15525 GNP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 15525 GNP N3 . N3 . . N . . N 0 . . . . yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 15525 GNP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 15525 GNP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 15525 GNP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 15525 GNP HNB3 . HNB3 . . H . . N 0 . . . . no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 15525 GNP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 15525 GNP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 15525 GNP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 15525 GNP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 15525 GNP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 15525 GNP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 15525 GNP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 15525 GNP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 15525 GNP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 15525 GNP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 15525 GNP H8 . H8 . . H . . N 0 . . . . no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 15525 GNP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 15525 GNP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 15525 GNP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 15525 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 15525 GNP 2 . SING PG O2G no N 2 . 15525 GNP 3 . SING PG O3G no N 3 . 15525 GNP 4 . SING PG N3B no N 4 . 15525 GNP 5 . SING O2G HOG2 no N 5 . 15525 GNP 6 . SING O3G HOG3 no N 6 . 15525 GNP 7 . SING N3B PB no N 7 . 15525 GNP 8 . SING N3B HNB3 no N 8 . 15525 GNP 9 . DOUB PB O1B no N 9 . 15525 GNP 10 . SING PB O2B no N 10 . 15525 GNP 11 . SING PB O3A no N 11 . 15525 GNP 12 . SING O2B HOB2 no N 12 . 15525 GNP 13 . SING O3A PA no N 13 . 15525 GNP 14 . DOUB PA O1A no N 14 . 15525 GNP 15 . SING PA O2A no N 15 . 15525 GNP 16 . SING PA O5' no N 16 . 15525 GNP 17 . SING O2A HOA2 no N 17 . 15525 GNP 18 . SING O5' C5' no N 18 . 15525 GNP 19 . SING C5' C4' no N 19 . 15525 GNP 20 . SING C5' H5'2 no N 20 . 15525 GNP 21 . SING C5' H5'1 no N 21 . 15525 GNP 22 . SING C4' O4' no N 22 . 15525 GNP 23 . SING C4' C3' no N 23 . 15525 GNP 24 . SING C4' H4' no N 24 . 15525 GNP 25 . SING O4' C1' no N 25 . 15525 GNP 26 . SING C3' O3' no N 26 . 15525 GNP 27 . SING C3' C2' no N 27 . 15525 GNP 28 . SING C3' H3' no N 28 . 15525 GNP 29 . SING O3' HO3' no N 29 . 15525 GNP 30 . SING C2' O2' no N 30 . 15525 GNP 31 . SING C2' C1' no N 31 . 15525 GNP 32 . SING C2' H2' no N 32 . 15525 GNP 33 . SING O2' HO2' no N 33 . 15525 GNP 34 . SING C1' N9 no N 34 . 15525 GNP 35 . SING C1' H1' no N 35 . 15525 GNP 36 . SING N9 C8 yes N 36 . 15525 GNP 37 . SING N9 C4 yes N 37 . 15525 GNP 38 . DOUB C8 N7 yes N 38 . 15525 GNP 39 . SING C8 H8 no N 39 . 15525 GNP 40 . SING N7 C5 yes N 40 . 15525 GNP 41 . SING C5 C6 yes N 41 . 15525 GNP 42 . DOUB C5 C4 yes N 42 . 15525 GNP 43 . DOUB C6 O6 no N 43 . 15525 GNP 44 . SING C6 N1 yes N 44 . 15525 GNP 45 . SING N1 C2 yes N 45 . 15525 GNP 46 . SING N1 HN1 no N 46 . 15525 GNP 47 . SING C2 N2 no N 47 . 15525 GNP 48 . DOUB C2 N3 yes N 48 . 15525 GNP 49 . SING N2 HN21 no N 49 . 15525 GNP 50 . SING N2 HN22 no N 50 . 15525 GNP 51 . SING N3 C4 yes N 51 . 15525 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 15525 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:44:35 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 15525 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 15525 MG [Mg++] SMILES CACTVS 3.341 15525 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 15525 MG [Mg+2] SMILES ACDLabs 10.04 15525 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 15525 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15525 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 15525 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15525 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15525 MG stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 15525 _Chem_comp.ID HOH _Chem_comp.Provenance . _Chem_comp.Name WATER _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:51:16 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 15525 HOH O SMILES ACDLabs 10.04 15525 HOH O SMILES CACTVS 3.341 15525 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 15525 HOH O SMILES_CANONICAL CACTVS 3.341 15525 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15525 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 15525 HOH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15525 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 15525 HOH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O . O . . O . . N 0 . . . . no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 15525 HOH H1 . H1 . . H . . N 0 . . . . no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 15525 HOH H2 . H2 . . H . . N 0 . . . . no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 15525 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 15525 HOH 2 . SING O H2 no N 2 . 15525 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_RLIP76 _Sample.Sf_category sample _Sample.Sf_framecode 15N_RLIP76 _Sample.Entry_ID 15525 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RLIP76 '[U-98% 15N]' . . 1 $RLIP76 . . 0.6 . . mM . . . . 15525 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15525 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15525 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15525 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15525 1 6 RalB 'natural abundance' . . 2 $RalB . . 0.66 . . mM . . . . 15525 1 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 15525 1 stop_ save_ save_13C_15N_RLIP76 _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_RLIP76 _Sample.Entry_ID 15525 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RLIP76 '[U-98% 13C; U-98% 15N]' . . 1 $RLIP76 . . 0.6 . . mM . . . . 15525 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15525 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15525 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15525 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15525 2 6 RalB 'natural abundance' . . 2 $RalB . . 0.66 . . mM . . . . 15525 2 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 15525 2 stop_ save_ save_15N_RalB _Sample.Sf_category sample _Sample.Sf_framecode 15N_RalB _Sample.Entry_ID 15525 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalB '[U-98% 15N]' . . 2 $RalB . . 0.6 . . mM . . . . 15525 3 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15525 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15525 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15525 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15525 3 6 RLIP76 'natural abundance' . . 1 $RLIP76 . . 0.66 . . mM . . . . 15525 3 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 15525 3 stop_ save_ save_13C_15N_RalB _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_RalB _Sample.Entry_ID 15525 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalB '[U-98% 13C; U-98% 15N]' . . 2 $RalB . . 0.6 . . mM . . . . 15525 4 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15525 4 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15525 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15525 4 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15525 4 6 RLIP76 'natural abundance' . . 1 $RLIP76 . . 0.66 . . mM . . . . 15525 4 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 15525 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15525 _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 6.8 . pH 15525 1 pressure 1 . atm 15525 1 temperature 298 . K 15525 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15525 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 . pH 15525 2 pressure 1 . atm 15525 2 temperature 298 . K 15525 2 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15525 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 15525 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15525 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 15525 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides and Laue' . . 15525 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15525 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DRX502 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX502 _NMR_spectrometer.Entry_ID 15525 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_DRX501 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX501 _NMR_spectrometer.Entry_ID 15525 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_DRX600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX600 _NMR_spectrometer.Entry_ID 15525 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_DRX800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX800 _NMR_spectrometer.Entry_ID 15525 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15525 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 DRX502 Bruker DRX . 500 . . . 15525 1 2 DRX501 Bruker DRX . 500 . . . 15525 1 3 DRX600 Bruker DRX . 600 . . . 15525 1 4 DRX800 Bruker DRX . 800 . . . 15525 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15525 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 2 '3D HNCA' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 3 '3D HNCO' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 6 '3D (H)C(CCO)NH' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $13C_15N_RLIP76 isotropic . . 1 $sample_conditions_1 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 13 '3D HNCA' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 14 '3D HNCO' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 15 '3D HN(CO)CA' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 16 '3D HNCACB' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 17 '3D (H)C(CCO)NH' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 18 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 2 $DRX501 . . . . . . . . . . . . . . . . 15525 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 3 $DRX600 . . . . . . . . . . . . . . . . 15525 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N_RalB isotropic . . 2 $sample_conditions_2 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 21 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $13C_15N_RalB isotropic . . 2 $sample_conditions_2 . . . 4 $DRX800 . . . . . . . . . . . . . . . . 15525 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15525 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15525 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15525 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15525 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15525 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $13C_15N_RLIP76 . 15525 1 2 '3D HNCA' 2 $13C_15N_RLIP76 . 15525 1 3 '3D HNCO' 2 $13C_15N_RLIP76 . 15525 1 5 '3D HNCACB' 2 $13C_15N_RLIP76 . 15525 1 6 '3D (H)C(CCO)NH' 2 $13C_15N_RLIP76 . 15525 1 6 '3D (H)C(CCO)NH' 2 $13C_15N_RLIP76 . 15525 1 7 '3D HBHA(CO)NH' 2 $13C_15N_RLIP76 . 15525 1 8 '3D HCCH-TOCSY' 2 $13C_15N_RLIP76 . 15525 1 9 '3D 1H-15N NOESY' 1 $15N_RLIP76 . 15525 1 10 '3D 1H-13C NOESY' 2 $13C_15N_RLIP76 . 15525 1 11 '2D 1H-13C HSQC' 2 $13C_15N_RLIP76 . 15525 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Analysis . . 15525 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 1 1 GLY HA2 H 1 3.786 0.000 . 2 . . . . 391 GLY HA2 . 15525 1 2 . 1 1 1 1 GLY HA3 H 1 3.746 0.000 . 2 . . . . 391 GLY HA3 . 15525 1 3 . 1 1 1 1 GLY CA C 13 43.922 0.006 . 1 . . . . 391 GLY CA . 15525 1 4 . 1 1 2 2 SER HA H 1 4.352 0.002 . 1 . . . . 392 SER HA . 15525 1 5 . 1 1 2 2 SER HB2 H 1 3.766 0.004 . 2 . . . . 392 SER HB2 . 15525 1 6 . 1 1 2 2 SER HB3 H 1 3.841 0.005 . 2 . . . . 392 SER HB3 . 15525 1 7 . 1 1 2 2 SER CA C 13 58.866 0.041 . 1 . . . . 392 SER CA . 15525 1 8 . 1 1 2 2 SER CB C 13 63.656 0.016 . 1 . . . . 392 SER CB . 15525 1 9 . 1 1 3 3 GLU HA H 1 4.289 0.002 . 1 . . . . 393 GLU HA . 15525 1 10 . 1 1 3 3 GLU HB2 H 1 1.903 0.001 . 2 . . . . 393 GLU HB2 . 15525 1 11 . 1 1 3 3 GLU HB3 H 1 2.017 0.000 . 2 . . . . 393 GLU HB3 . 15525 1 12 . 1 1 3 3 GLU HG2 H 1 2.182 0.007 . 2 . . . . 393 GLU HG2 . 15525 1 13 . 1 1 3 3 GLU HG3 H 1 2.225 0.012 . 2 . . . . 393 GLU HG3 . 15525 1 14 . 1 1 3 3 GLU CA C 13 57.502 0.007 . 1 . . . . 393 GLU CA . 15525 1 15 . 1 1 3 3 GLU CB C 13 29.642 0.021 . 1 . . . . 393 GLU CB . 15525 1 16 . 1 1 3 3 GLU CG C 13 36.205 0.007 . 1 . . . . 393 GLU CG . 15525 1 17 . 1 1 4 4 THR HA H 1 4.263 0.006 . 1 . . . . 394 THR HA . 15525 1 18 . 1 1 4 4 THR HB H 1 4.288 0.002 . 1 . . . . 394 THR HB . 15525 1 19 . 1 1 4 4 THR HG1 H 1 4.675 0.002 . 1 . . . . 394 THR HG1 . 15525 1 20 . 1 1 4 4 THR HG21 H 1 1.172 0.002 . 1 . . . . 394 THR HG21 . 15525 1 21 . 1 1 4 4 THR HG22 H 1 1.172 0.002 . 1 . . . . 394 THR HG22 . 15525 1 22 . 1 1 4 4 THR HG23 H 1 1.172 0.002 . 1 . . . . 394 THR HG23 . 15525 1 23 . 1 1 4 4 THR CA C 13 62.333 0.076 . 1 . . . . 394 THR CA . 15525 1 24 . 1 1 4 4 THR CB C 13 70.109 0.061 . 1 . . . . 394 THR CB . 15525 1 25 . 1 1 4 4 THR CG2 C 13 21.885 0.014 . 1 . . . . 394 THR CG2 . 15525 1 26 . 1 1 5 5 GLN HA H 1 3.885 0.005 . 1 . . . . 395 GLN HA . 15525 1 27 . 1 1 5 5 GLN HB2 H 1 1.989 0.012 . 2 . . . . 395 GLN HB2 . 15525 1 28 . 1 1 5 5 GLN HB3 H 1 1.998 0.009 . 2 . . . . 395 GLN HB3 . 15525 1 29 . 1 1 5 5 GLN HE21 H 1 6.815 0.001 . 1 . . . . 395 GLN HE21 . 15525 1 30 . 1 1 5 5 GLN HE22 H 1 7.560 0.001 . 1 . . . . 395 GLN HE22 . 15525 1 31 . 1 1 5 5 GLN HG2 H 1 2.226 0.007 . 2 . . . . 395 GLN HG2 . 15525 1 32 . 1 1 5 5 GLN HG3 H 1 2.378 0.004 . 2 . . . . 395 GLN HG3 . 15525 1 33 . 1 1 5 5 GLN C C 13 177.215 0.000 . 1 . . . . 395 GLN C . 15525 1 34 . 1 1 5 5 GLN CA C 13 58.888 0.101 . 1 . . . . 395 GLN CA . 15525 1 35 . 1 1 5 5 GLN CG C 13 34.292 0.026 . 1 . . . . 395 GLN CG . 15525 1 36 . 1 1 5 5 GLN NE2 N 15 112.079 0.012 . 1 . . . . 395 GLN NE2 . 15525 1 37 . 1 1 6 6 ALA H H 1 8.175 0.001 . 1 . . . . 396 ALA H . 15525 1 38 . 1 1 6 6 ALA HA H 1 3.967 0.005 . 1 . . . . 396 ALA HA . 15525 1 39 . 1 1 6 6 ALA HB1 H 1 1.350 0.003 . 1 . . . . 396 ALA HB1 . 15525 1 40 . 1 1 6 6 ALA HB2 H 1 1.350 0.003 . 1 . . . . 396 ALA HB2 . 15525 1 41 . 1 1 6 6 ALA HB3 H 1 1.350 0.003 . 1 . . . . 396 ALA HB3 . 15525 1 42 . 1 1 6 6 ALA C C 13 180.470 0.000 . 1 . . . . 396 ALA C . 15525 1 43 . 1 1 6 6 ALA CA C 13 55.045 0.055 . 1 . . . . 396 ALA CA . 15525 1 44 . 1 1 6 6 ALA CB C 13 18.314 0.033 . 1 . . . . 396 ALA CB . 15525 1 45 . 1 1 6 6 ALA N N 15 120.917 0.010 . 1 . . . . 396 ALA N . 15525 1 46 . 1 1 7 7 GLY H H 1 8.175 0.002 . 1 . . . . 397 GLY H . 15525 1 47 . 1 1 7 7 GLY HA2 H 1 3.800 0.005 . 2 . . . . 397 GLY HA2 . 15525 1 48 . 1 1 7 7 GLY HA3 H 1 3.916 0.004 . 2 . . . . 397 GLY HA3 . 15525 1 49 . 1 1 7 7 GLY C C 13 177.044 0.000 . 1 . . . . 397 GLY C . 15525 1 50 . 1 1 7 7 GLY CA C 13 46.682 0.052 . 1 . . . . 397 GLY CA . 15525 1 51 . 1 1 7 7 GLY N N 15 106.847 0.011 . 1 . . . . 397 GLY N . 15525 1 52 . 1 1 8 8 ILE H H 1 7.956 0.003 . 1 . . . . 398 ILE H . 15525 1 53 . 1 1 8 8 ILE HA H 1 3.746 0.005 . 1 . . . . 398 ILE HA . 15525 1 54 . 1 1 8 8 ILE HB H 1 1.765 0.006 . 1 . . . . 398 ILE HB . 15525 1 55 . 1 1 8 8 ILE HD11 H 1 0.673 0.003 . 1 . . . . 398 ILE HD11 . 15525 1 56 . 1 1 8 8 ILE HD12 H 1 0.673 0.003 . 1 . . . . 398 ILE HD12 . 15525 1 57 . 1 1 8 8 ILE HD13 H 1 0.673 0.003 . 1 . . . . 398 ILE HD13 . 15525 1 58 . 1 1 8 8 ILE HG12 H 1 1.668 0.004 . 2 . . . . 398 ILE HG12 . 15525 1 59 . 1 1 8 8 ILE HG13 H 1 0.934 0.004 . 2 . . . . 398 ILE HG13 . 15525 1 60 . 1 1 8 8 ILE HG21 H 1 0.834 0.005 . 1 . . . . 398 ILE HG21 . 15525 1 61 . 1 1 8 8 ILE HG22 H 1 0.834 0.005 . 1 . . . . 398 ILE HG22 . 15525 1 62 . 1 1 8 8 ILE HG23 H 1 0.834 0.005 . 1 . . . . 398 ILE HG23 . 15525 1 63 . 1 1 8 8 ILE C C 13 178.074 0.000 . 1 . . . . 398 ILE C . 15525 1 64 . 1 1 8 8 ILE CA C 13 65.014 0.046 . 1 . . . . 398 ILE CA . 15525 1 65 . 1 1 8 8 ILE CB C 13 37.914 0.062 . 1 . . . . 398 ILE CB . 15525 1 66 . 1 1 8 8 ILE CD1 C 13 13.794 0.055 . 1 . . . . 398 ILE CD1 . 15525 1 67 . 1 1 8 8 ILE CG1 C 13 28.909 0.070 . 1 . . . . 398 ILE CG1 . 15525 1 68 . 1 1 8 8 ILE CG2 C 13 18.762 0.056 . 1 . . . . 398 ILE CG2 . 15525 1 69 . 1 1 8 8 ILE N N 15 123.474 0.009 . 1 . . . . 398 ILE N . 15525 1 70 . 1 1 9 9 LYS H H 1 8.207 0.002 . 1 . . . . 399 LYS H . 15525 1 71 . 1 1 9 9 LYS HA H 1 3.792 0.007 . 1 . . . . 399 LYS HA . 15525 1 72 . 1 1 9 9 LYS HB2 H 1 1.784 0.007 . 2 . . . . 399 LYS HB2 . 15525 1 73 . 1 1 9 9 LYS HB3 H 1 1.783 0.007 . 2 . . . . 399 LYS HB3 . 15525 1 74 . 1 1 9 9 LYS HD2 H 1 1.584 0.006 . 2 . . . . 399 LYS HD2 . 15525 1 75 . 1 1 9 9 LYS HD3 H 1 1.584 0.006 . 2 . . . . 399 LYS HD3 . 15525 1 76 . 1 1 9 9 LYS HE2 H 1 2.826 0.004 . 1 . . . . 399 LYS HE2 . 15525 1 77 . 1 1 9 9 LYS HE3 H 1 2.826 0.004 . 1 . . . . 399 LYS HE3 . 15525 1 78 . 1 1 9 9 LYS HG2 H 1 1.581 0.002 . 2 . . . . 399 LYS HG2 . 15525 1 79 . 1 1 9 9 LYS HG3 H 1 1.309 0.003 . 2 . . . . 399 LYS HG3 . 15525 1 80 . 1 1 9 9 LYS C C 13 179.618 0.000 . 1 . . . . 399 LYS C . 15525 1 81 . 1 1 9 9 LYS CA C 13 60.579 0.110 . 1 . . . . 399 LYS CA . 15525 1 82 . 1 1 9 9 LYS CB C 13 32.059 0.035 . 1 . . . . 399 LYS CB . 15525 1 83 . 1 1 9 9 LYS CD C 13 29.443 0.026 . 1 . . . . 399 LYS CD . 15525 1 84 . 1 1 9 9 LYS CE C 13 42.027 0.000 . 1 . . . . 399 LYS CE . 15525 1 85 . 1 1 9 9 LYS CG C 13 26.922 0.057 . 1 . . . . 399 LYS CG . 15525 1 86 . 1 1 9 9 LYS N N 15 118.485 0.011 . 1 . . . . 399 LYS N . 15525 1 87 . 1 1 10 10 GLU H H 1 7.879 0.001 . 1 . . . . 400 GLU H . 15525 1 88 . 1 1 10 10 GLU HA H 1 4.068 0.007 . 1 . . . . 400 GLU HA . 15525 1 89 . 1 1 10 10 GLU HB2 H 1 2.079 0.007 . 2 . . . . 400 GLU HB2 . 15525 1 90 . 1 1 10 10 GLU HB3 H 1 1.989 0.016 . 2 . . . . 400 GLU HB3 . 15525 1 91 . 1 1 10 10 GLU HG2 H 1 2.258 0.003 . 1 . . . . 400 GLU HG2 . 15525 1 92 . 1 1 10 10 GLU HG3 H 1 2.258 0.003 . 1 . . . . 400 GLU HG3 . 15525 1 93 . 1 1 10 10 GLU C C 13 178.457 0.000 . 1 . . . . 400 GLU C . 15525 1 94 . 1 1 10 10 GLU CA C 13 59.039 0.030 . 1 . . . . 400 GLU CA . 15525 1 95 . 1 1 10 10 GLU CB C 13 29.145 0.039 . 1 . . . . 400 GLU CB . 15525 1 96 . 1 1 10 10 GLU CG C 13 36.054 0.046 . 1 . . . . 400 GLU CG . 15525 1 97 . 1 1 10 10 GLU N N 15 119.507 0.005 . 1 . . . . 400 GLU N . 15525 1 98 . 1 1 11 11 GLU H H 1 7.761 0.002 . 1 . . . . 401 GLU H . 15525 1 99 . 1 1 11 11 GLU HA H 1 4.072 0.005 . 1 . . . . 401 GLU HA . 15525 1 100 . 1 1 11 11 GLU HB2 H 1 2.080 0.007 . 1 . . . . 401 GLU HB2 . 15525 1 101 . 1 1 11 11 GLU HB3 H 1 2.080 0.007 . 1 . . . . 401 GLU HB3 . 15525 1 102 . 1 1 11 11 GLU HG2 H 1 2.257 0.010 . 1 . . . . 401 GLU HG2 . 15525 1 103 . 1 1 11 11 GLU HG3 H 1 2.257 0.010 . 1 . . . . 401 GLU HG3 . 15525 1 104 . 1 1 11 11 GLU C C 13 179.241 0.000 . 1 . . . . 401 GLU C . 15525 1 105 . 1 1 11 11 GLU CA C 13 59.054 0.043 . 1 . . . . 401 GLU CA . 15525 1 106 . 1 1 11 11 GLU CB C 13 29.144 0.032 . 1 . . . . 401 GLU CB . 15525 1 107 . 1 1 11 11 GLU CG C 13 36.045 0.092 . 1 . . . . 401 GLU CG . 15525 1 108 . 1 1 11 11 GLU N N 15 121.720 0.004 . 1 . . . . 401 GLU N . 15525 1 109 . 1 1 12 12 ILE H H 1 8.645 0.001 . 1 . . . . 402 ILE H . 15525 1 110 . 1 1 12 12 ILE HA H 1 3.346 0.007 . 1 . . . . 402 ILE HA . 15525 1 111 . 1 1 12 12 ILE HB H 1 1.843 0.004 . 1 . . . . 402 ILE HB . 15525 1 112 . 1 1 12 12 ILE HD11 H 1 0.681 0.004 . 1 . . . . 402 ILE HD11 . 15525 1 113 . 1 1 12 12 ILE HD12 H 1 0.681 0.004 . 1 . . . . 402 ILE HD12 . 15525 1 114 . 1 1 12 12 ILE HD13 H 1 0.681 0.004 . 1 . . . . 402 ILE HD13 . 15525 1 115 . 1 1 12 12 ILE HG12 H 1 0.676 0.005 . 2 . . . . 402 ILE HG12 . 15525 1 116 . 1 1 12 12 ILE HG13 H 1 1.840 0.009 . 2 . . . . 402 ILE HG13 . 15525 1 117 . 1 1 12 12 ILE HG21 H 1 0.737 0.004 . 1 . . . . 402 ILE HG21 . 15525 1 118 . 1 1 12 12 ILE HG22 H 1 0.737 0.004 . 1 . . . . 402 ILE HG22 . 15525 1 119 . 1 1 12 12 ILE HG23 H 1 0.737 0.004 . 1 . . . . 402 ILE HG23 . 15525 1 120 . 1 1 12 12 ILE C C 13 177.249 0.000 . 1 . . . . 402 ILE C . 15525 1 121 . 1 1 12 12 ILE CA C 13 66.377 0.084 . 1 . . . . 402 ILE CA . 15525 1 122 . 1 1 12 12 ILE CB C 13 38.017 0.065 . 1 . . . . 402 ILE CB . 15525 1 123 . 1 1 12 12 ILE CD1 C 13 14.909 0.029 . 1 . . . . 402 ILE CD1 . 15525 1 124 . 1 1 12 12 ILE CG1 C 13 32.186 0.029 . 1 . . . . 402 ILE CG1 . 15525 1 125 . 1 1 12 12 ILE CG2 C 13 16.490 0.032 . 1 . . . . 402 ILE CG2 . 15525 1 126 . 1 1 12 12 ILE N N 15 120.587 0.008 . 1 . . . . 402 ILE N . 15525 1 127 . 1 1 13 13 ARG H H 1 7.562 0.002 . 1 . . . . 403 ARG H . 15525 1 128 . 1 1 13 13 ARG HA H 1 4.005 0.009 . 1 . . . . 403 ARG HA . 15525 1 129 . 1 1 13 13 ARG HB2 H 1 1.848 0.002 . 1 . . . . 403 ARG HB2 . 15525 1 130 . 1 1 13 13 ARG HB3 H 1 1.848 0.002 . 1 . . . . 403 ARG HB3 . 15525 1 131 . 1 1 13 13 ARG HD2 H 1 3.135 0.001 . 1 . . . . 403 ARG HD2 . 15525 1 132 . 1 1 13 13 ARG HD3 H 1 3.135 0.001 . 1 . . . . 403 ARG HD3 . 15525 1 133 . 1 1 13 13 ARG HG2 H 1 1.493 0.001 . 2 . . . . 403 ARG HG2 . 15525 1 134 . 1 1 13 13 ARG HG3 H 1 1.689 0.001 . 2 . . . . 403 ARG HG3 . 15525 1 135 . 1 1 13 13 ARG CA C 13 59.724 0.046 . 1 . . . . 403 ARG CA . 15525 1 136 . 1 1 13 13 ARG CB C 13 30.089 0.000 . 1 . . . . 403 ARG CB . 15525 1 137 . 1 1 13 13 ARG CD C 13 43.331 0.000 . 1 . . . . 403 ARG CD . 15525 1 138 . 1 1 13 13 ARG CG C 13 27.379 0.014 . 1 . . . . 403 ARG CG . 15525 1 139 . 1 1 13 13 ARG N N 15 118.330 0.011 . 1 . . . . 403 ARG N . 15525 1 140 . 1 1 14 14 ARG H H 1 7.802 0.002 . 1 . . . . 404 ARG H . 15525 1 141 . 1 1 14 14 ARG HA H 1 3.994 0.004 . 1 . . . . 404 ARG HA . 15525 1 142 . 1 1 14 14 ARG HB2 H 1 1.854 0.007 . 2 . . . . 404 ARG HB2 . 15525 1 143 . 1 1 14 14 ARG HB3 H 1 1.945 0.004 . 2 . . . . 404 ARG HB3 . 15525 1 144 . 1 1 14 14 ARG HD2 H 1 3.136 0.003 . 1 . . . . 404 ARG HD2 . 15525 1 145 . 1 1 14 14 ARG HD3 H 1 3.136 0.003 . 1 . . . . 404 ARG HD3 . 15525 1 146 . 1 1 14 14 ARG HG2 H 1 1.470 0.004 . 2 . . . . 404 ARG HG2 . 15525 1 147 . 1 1 14 14 ARG HG3 H 1 1.740 0.002 . 2 . . . . 404 ARG HG3 . 15525 1 148 . 1 1 14 14 ARG C C 13 179.882 0.000 . 1 . . . . 404 ARG C . 15525 1 149 . 1 1 14 14 ARG CA C 13 59.847 0.092 . 1 . . . . 404 ARG CA . 15525 1 150 . 1 1 14 14 ARG CB C 13 30.615 0.021 . 1 . . . . 404 ARG CB . 15525 1 151 . 1 1 14 14 ARG CD C 13 43.406 0.003 . 1 . . . . 404 ARG CD . 15525 1 152 . 1 1 14 14 ARG CG C 13 28.309 0.050 . 1 . . . . 404 ARG CG . 15525 1 153 . 1 1 14 14 ARG N N 15 118.736 0.012 . 1 . . . . 404 ARG N . 15525 1 154 . 1 1 15 15 GLN H H 1 8.437 0.002 . 1 . . . . 405 GLN H . 15525 1 155 . 1 1 15 15 GLN HA H 1 4.138 0.008 . 1 . . . . 405 GLN HA . 15525 1 156 . 1 1 15 15 GLN HB2 H 1 1.933 0.007 . 2 . . . . 405 GLN HB2 . 15525 1 157 . 1 1 15 15 GLN HB3 H 1 2.136 0.008 . 2 . . . . 405 GLN HB3 . 15525 1 158 . 1 1 15 15 GLN HE21 H 1 6.079 0.001 . 1 . . . . 405 GLN HE21 . 15525 1 159 . 1 1 15 15 GLN HE22 H 1 7.208 0.002 . 1 . . . . 405 GLN HE22 . 15525 1 160 . 1 1 15 15 GLN HG2 H 1 2.622 0.023 . 2 . . . . 405 GLN HG2 . 15525 1 161 . 1 1 15 15 GLN HG3 H 1 2.051 0.004 . 2 . . . . 405 GLN HG3 . 15525 1 162 . 1 1 15 15 GLN C C 13 178.482 0.000 . 1 . . . . 405 GLN C . 15525 1 163 . 1 1 15 15 GLN CA C 13 57.908 0.041 . 1 . . . . 405 GLN CA . 15525 1 164 . 1 1 15 15 GLN CB C 13 27.235 0.031 . 1 . . . . 405 GLN CB . 15525 1 165 . 1 1 15 15 GLN CG C 13 32.809 0.065 . 1 . . . . 405 GLN CG . 15525 1 166 . 1 1 15 15 GLN N N 15 118.555 0.017 . 1 . . . . 405 GLN N . 15525 1 167 . 1 1 15 15 GLN NE2 N 15 108.139 0.017 . 1 . . . . 405 GLN NE2 . 15525 1 168 . 1 1 16 16 GLU H H 1 8.920 0.003 . 1 . . . . 406 GLU H . 15525 1 169 . 1 1 16 16 GLU HA H 1 3.816 0.004 . 1 . . . . 406 GLU HA . 15525 1 170 . 1 1 16 16 GLU HB2 H 1 2.156 0.007 . 2 . . . . 406 GLU HB2 . 15525 1 171 . 1 1 16 16 GLU HB3 H 1 1.838 0.002 . 2 . . . . 406 GLU HB3 . 15525 1 172 . 1 1 16 16 GLU HG2 H 1 2.487 0.003 . 2 . . . . 406 GLU HG2 . 15525 1 173 . 1 1 16 16 GLU HG3 H 1 2.077 0.009 . 2 . . . . 406 GLU HG3 . 15525 1 174 . 1 1 16 16 GLU C C 13 179.296 0.000 . 1 . . . . 406 GLU C . 15525 1 175 . 1 1 16 16 GLU CA C 13 60.065 0.047 . 1 . . . . 406 GLU CA . 15525 1 176 . 1 1 16 16 GLU CB C 13 29.552 0.049 . 1 . . . . 406 GLU CB . 15525 1 177 . 1 1 16 16 GLU CG C 13 37.916 0.030 . 1 . . . . 406 GLU CG . 15525 1 178 . 1 1 16 16 GLU N N 15 119.415 0.007 . 1 . . . . 406 GLU N . 15525 1 179 . 1 1 17 17 PHE H H 1 7.829 0.002 . 1 . . . . 407 PHE H . 15525 1 180 . 1 1 17 17 PHE HA H 1 4.218 0.006 . 1 . . . . 407 PHE HA . 15525 1 181 . 1 1 17 17 PHE HB2 H 1 3.194 0.007 . 1 . . . . 407 PHE HB2 . 15525 1 182 . 1 1 17 17 PHE HB3 H 1 3.194 0.007 . 1 . . . . 407 PHE HB3 . 15525 1 183 . 1 1 17 17 PHE HD1 H 1 7.208 0.004 . 3 . . . . 407 PHE HD1 . 15525 1 184 . 1 1 17 17 PHE HD2 H 1 7.208 0.004 . 3 . . . . 407 PHE HD2 . 15525 1 185 . 1 1 17 17 PHE HE1 H 1 7.257 0.006 . 3 . . . . 407 PHE HE1 . 15525 1 186 . 1 1 17 17 PHE HE2 H 1 7.257 0.006 . 3 . . . . 407 PHE HE2 . 15525 1 187 . 1 1 17 17 PHE HZ H 1 7.208 0.002 . 1 . . . . 407 PHE HZ . 15525 1 188 . 1 1 17 17 PHE C C 13 179.003 0.000 . 1 . . . . 407 PHE C . 15525 1 189 . 1 1 17 17 PHE CA C 13 61.383 0.022 . 1 . . . . 407 PHE CA . 15525 1 190 . 1 1 17 17 PHE CB C 13 38.570 0.043 . 1 . . . . 407 PHE CB . 15525 1 191 . 1 1 17 17 PHE CD1 C 13 131.689 0.051 . 3 . . . . 407 PHE CD1 . 15525 1 192 . 1 1 17 17 PHE CD2 C 13 131.689 0.051 . 3 . . . . 407 PHE CD2 . 15525 1 193 . 1 1 17 17 PHE CE1 C 13 131.600 0.043 . 3 . . . . 407 PHE CE1 . 15525 1 194 . 1 1 17 17 PHE CE2 C 13 131.600 0.043 . 3 . . . . 407 PHE CE2 . 15525 1 195 . 1 1 17 17 PHE CZ C 13 130.007 0.026 . 1 . . . . 407 PHE CZ . 15525 1 196 . 1 1 17 17 PHE N N 15 119.598 0.011 . 1 . . . . 407 PHE N . 15525 1 197 . 1 1 18 18 LEU H H 1 7.664 0.002 . 1 . . . . 408 LEU H . 15525 1 198 . 1 1 18 18 LEU HA H 1 3.985 0.005 . 1 . . . . 408 LEU HA . 15525 1 199 . 1 1 18 18 LEU HB2 H 1 1.658 0.015 . 2 . . . . 408 LEU HB2 . 15525 1 200 . 1 1 18 18 LEU HB3 H 1 1.828 0.003 . 2 . . . . 408 LEU HB3 . 15525 1 201 . 1 1 18 18 LEU HD11 H 1 0.872 0.003 . 2 . . . . 408 LEU HD11 . 15525 1 202 . 1 1 18 18 LEU HD12 H 1 0.872 0.003 . 2 . . . . 408 LEU HD12 . 15525 1 203 . 1 1 18 18 LEU HD13 H 1 0.872 0.003 . 2 . . . . 408 LEU HD13 . 15525 1 204 . 1 1 18 18 LEU HD21 H 1 0.843 0.003 . 2 . . . . 408 LEU HD21 . 15525 1 205 . 1 1 18 18 LEU HD22 H 1 0.843 0.003 . 2 . . . . 408 LEU HD22 . 15525 1 206 . 1 1 18 18 LEU HD23 H 1 0.843 0.003 . 2 . . . . 408 LEU HD23 . 15525 1 207 . 1 1 18 18 LEU HG H 1 1.633 0.004 . 1 . . . . 408 LEU HG . 15525 1 208 . 1 1 18 18 LEU C C 13 179.231 0.000 . 1 . . . . 408 LEU C . 15525 1 209 . 1 1 18 18 LEU CA C 13 57.895 0.040 . 1 . . . . 408 LEU CA . 15525 1 210 . 1 1 18 18 LEU CB C 13 41.829 0.082 . 1 . . . . 408 LEU CB . 15525 1 211 . 1 1 18 18 LEU CD1 C 13 24.917 0.037 . 2 . . . . 408 LEU CD1 . 15525 1 212 . 1 1 18 18 LEU CD2 C 13 23.740 0.022 . 2 . . . . 408 LEU CD2 . 15525 1 213 . 1 1 18 18 LEU CG C 13 27.112 0.026 . 1 . . . . 408 LEU CG . 15525 1 214 . 1 1 18 18 LEU N N 15 121.650 0.006 . 1 . . . . 408 LEU N . 15525 1 215 . 1 1 19 19 LEU H H 1 8.708 0.002 . 1 . . . . 409 LEU H . 15525 1 216 . 1 1 19 19 LEU HA H 1 3.712 0.005 . 1 . . . . 409 LEU HA . 15525 1 217 . 1 1 19 19 LEU HB2 H 1 1.823 0.004 . 2 . . . . 409 LEU HB2 . 15525 1 218 . 1 1 19 19 LEU HB3 H 1 1.619 0.014 . 2 . . . . 409 LEU HB3 . 15525 1 219 . 1 1 19 19 LEU HD11 H 1 0.850 0.008 . 2 . . . . 409 LEU HD11 . 15525 1 220 . 1 1 19 19 LEU HD12 H 1 0.850 0.008 . 2 . . . . 409 LEU HD12 . 15525 1 221 . 1 1 19 19 LEU HD13 H 1 0.850 0.008 . 2 . . . . 409 LEU HD13 . 15525 1 222 . 1 1 19 19 LEU HD21 H 1 0.769 0.009 . 2 . . . . 409 LEU HD21 . 15525 1 223 . 1 1 19 19 LEU HD22 H 1 0.769 0.009 . 2 . . . . 409 LEU HD22 . 15525 1 224 . 1 1 19 19 LEU HD23 H 1 0.769 0.009 . 2 . . . . 409 LEU HD23 . 15525 1 225 . 1 1 19 19 LEU HG H 1 1.543 0.002 . 1 . . . . 409 LEU HG . 15525 1 226 . 1 1 19 19 LEU C C 13 178.236 0.000 . 1 . . . . 409 LEU C . 15525 1 227 . 1 1 19 19 LEU CA C 13 58.534 0.031 . 1 . . . . 409 LEU CA . 15525 1 228 . 1 1 19 19 LEU CB C 13 41.941 0.077 . 1 . . . . 409 LEU CB . 15525 1 229 . 1 1 19 19 LEU CD1 C 13 26.271 0.046 . 2 . . . . 409 LEU CD1 . 15525 1 230 . 1 1 19 19 LEU CD2 C 13 25.158 0.105 . 2 . . . . 409 LEU CD2 . 15525 1 231 . 1 1 19 19 LEU CG C 13 26.431 0.010 . 1 . . . . 409 LEU CG . 15525 1 232 . 1 1 19 19 LEU N N 15 121.105 0.014 . 1 . . . . 409 LEU N . 15525 1 233 . 1 1 20 20 ASN H H 1 8.130 0.003 . 1 . . . . 410 ASN H . 15525 1 234 . 1 1 20 20 ASN HA H 1 4.343 0.005 . 1 . . . . 410 ASN HA . 15525 1 235 . 1 1 20 20 ASN HB2 H 1 2.620 0.007 . 2 . . . . 410 ASN HB2 . 15525 1 236 . 1 1 20 20 ASN HB3 H 1 2.717 0.010 . 2 . . . . 410 ASN HB3 . 15525 1 237 . 1 1 20 20 ASN HD21 H 1 6.826 0.002 . 1 . . . . 410 ASN HD21 . 15525 1 238 . 1 1 20 20 ASN HD22 H 1 7.487 0.001 . 1 . . . . 410 ASN HD22 . 15525 1 239 . 1 1 20 20 ASN C C 13 178.155 0.000 . 1 . . . . 410 ASN C . 15525 1 240 . 1 1 20 20 ASN CA C 13 56.432 0.102 . 1 . . . . 410 ASN CA . 15525 1 241 . 1 1 20 20 ASN CB C 13 38.195 0.113 . 1 . . . . 410 ASN CB . 15525 1 242 . 1 1 20 20 ASN N N 15 115.173 0.011 . 1 . . . . 410 ASN N . 15525 1 243 . 1 1 20 20 ASN ND2 N 15 112.495 0.014 . 1 . . . . 410 ASN ND2 . 15525 1 244 . 1 1 21 21 SER H H 1 7.644 0.002 . 1 . . . . 411 SER H . 15525 1 245 . 1 1 21 21 SER HA H 1 3.958 0.001 . 1 . . . . 411 SER HA . 15525 1 246 . 1 1 21 21 SER HB2 H 1 3.797 0.004 . 1 . . . . 411 SER HB2 . 15525 1 247 . 1 1 21 21 SER HB3 H 1 3.797 0.004 . 1 . . . . 411 SER HB3 . 15525 1 248 . 1 1 21 21 SER C C 13 175.797 0.000 . 1 . . . . 411 SER C . 15525 1 249 . 1 1 21 21 SER CA C 13 61.560 0.025 . 1 . . . . 411 SER CA . 15525 1 250 . 1 1 21 21 SER CB C 13 62.686 0.033 . 1 . . . . 411 SER CB . 15525 1 251 . 1 1 21 21 SER N N 15 116.074 0.016 . 1 . . . . 411 SER N . 15525 1 252 . 1 1 22 22 LEU H H 1 7.934 0.001 . 1 . . . . 412 LEU H . 15525 1 253 . 1 1 22 22 LEU HA H 1 3.986 0.013 . 1 . . . . 412 LEU HA . 15525 1 254 . 1 1 22 22 LEU HB2 H 1 0.961 0.018 . 2 . . . . 412 LEU HB2 . 15525 1 255 . 1 1 22 22 LEU HB3 H 1 1.114 0.006 . 2 . . . . 412 LEU HB3 . 15525 1 256 . 1 1 22 22 LEU HD11 H 1 0.784 0.006 . 2 . . . . 412 LEU HD11 . 15525 1 257 . 1 1 22 22 LEU HD12 H 1 0.784 0.006 . 2 . . . . 412 LEU HD12 . 15525 1 258 . 1 1 22 22 LEU HD13 H 1 0.784 0.006 . 2 . . . . 412 LEU HD13 . 15525 1 259 . 1 1 22 22 LEU HD21 H 1 0.645 0.005 . 2 . . . . 412 LEU HD21 . 15525 1 260 . 1 1 22 22 LEU HD22 H 1 0.645 0.005 . 2 . . . . 412 LEU HD22 . 15525 1 261 . 1 1 22 22 LEU HD23 H 1 0.645 0.005 . 2 . . . . 412 LEU HD23 . 15525 1 262 . 1 1 22 22 LEU HG H 1 1.707 0.005 . 1 . . . . 412 LEU HG . 15525 1 263 . 1 1 22 22 LEU C C 13 179.167 0.000 . 1 . . . . 412 LEU C . 15525 1 264 . 1 1 22 22 LEU CA C 13 58.103 0.056 . 1 . . . . 412 LEU CA . 15525 1 265 . 1 1 22 22 LEU CB C 13 42.531 0.057 . 1 . . . . 412 LEU CB . 15525 1 266 . 1 1 22 22 LEU CD1 C 13 22.785 0.055 . 2 . . . . 412 LEU CD1 . 15525 1 267 . 1 1 22 22 LEU CD2 C 13 26.069 0.034 . 2 . . . . 412 LEU CD2 . 15525 1 268 . 1 1 22 22 LEU CG C 13 26.883 0.003 . 1 . . . . 412 LEU CG . 15525 1 269 . 1 1 22 22 LEU N N 15 123.379 0.019 . 1 . . . . 412 LEU N . 15525 1 270 . 1 1 23 23 HIS H H 1 8.198 0.003 . 1 . . . . 413 HIS H . 15525 1 271 . 1 1 23 23 HIS HA H 1 4.085 0.008 . 1 . . . . 413 HIS HA . 15525 1 272 . 1 1 23 23 HIS HB2 H 1 2.979 0.018 . 2 . . . . 413 HIS HB2 . 15525 1 273 . 1 1 23 23 HIS HB3 H 1 2.639 0.010 . 2 . . . . 413 HIS HB3 . 15525 1 274 . 1 1 23 23 HIS HD2 H 1 6.733 0.006 . 1 . . . . 413 HIS HD2 . 15525 1 275 . 1 1 23 23 HIS CA C 13 60.294 0.081 . 1 . . . . 413 HIS CA . 15525 1 276 . 1 1 23 23 HIS CB C 13 30.989 0.163 . 1 . . . . 413 HIS CB . 15525 1 277 . 1 1 23 23 HIS CD2 C 13 118.069 0.057 . 1 . . . . 413 HIS CD2 . 15525 1 278 . 1 1 23 23 HIS N N 15 116.434 0.005 . 1 . . . . 413 HIS N . 15525 1 279 . 1 1 24 24 ARG H H 1 7.666 0.003 . 1 . . . . 414 ARG H . 15525 1 280 . 1 1 24 24 ARG HA H 1 3.933 0.006 . 1 . . . . 414 ARG HA . 15525 1 281 . 1 1 24 24 ARG HB2 H 1 1.835 0.009 . 1 . . . . 414 ARG HB2 . 15525 1 282 . 1 1 24 24 ARG HB3 H 1 1.835 0.009 . 1 . . . . 414 ARG HB3 . 15525 1 283 . 1 1 24 24 ARG HD2 H 1 3.087 0.009 . 1 . . . . 414 ARG HD2 . 15525 1 284 . 1 1 24 24 ARG HD3 H 1 3.087 0.009 . 1 . . . . 414 ARG HD3 . 15525 1 285 . 1 1 24 24 ARG HG2 H 1 1.486 0.011 . 2 . . . . 414 ARG HG2 . 15525 1 286 . 1 1 24 24 ARG HG3 H 1 1.689 0.022 . 2 . . . . 414 ARG HG3 . 15525 1 287 . 1 1 24 24 ARG C C 13 179.052 0.000 . 1 . . . . 414 ARG C . 15525 1 288 . 1 1 24 24 ARG CA C 13 59.276 0.003 . 1 . . . . 414 ARG CA . 15525 1 289 . 1 1 24 24 ARG CB C 13 29.736 0.000 . 1 . . . . 414 ARG CB . 15525 1 290 . 1 1 24 24 ARG CG C 13 27.786 0.025 . 1 . . . . 414 ARG CG . 15525 1 291 . 1 1 24 24 ARG N N 15 118.726 0.012 . 1 . . . . 414 ARG N . 15525 1 292 . 1 1 25 25 ASP H H 1 7.840 0.001 . 1 . . . . 415 ASP H . 15525 1 293 . 1 1 25 25 ASP HA H 1 4.313 0.009 . 1 . . . . 415 ASP HA . 15525 1 294 . 1 1 25 25 ASP HB2 H 1 2.775 0.016 . 2 . . . . 415 ASP HB2 . 15525 1 295 . 1 1 25 25 ASP HB3 H 1 2.492 0.006 . 2 . . . . 415 ASP HB3 . 15525 1 296 . 1 1 25 25 ASP CA C 13 56.688 0.081 . 1 . . . . 415 ASP CA . 15525 1 297 . 1 1 25 25 ASP CB C 13 40.820 0.041 . 1 . . . . 415 ASP CB . 15525 1 298 . 1 1 25 25 ASP N N 15 119.741 0.009 . 1 . . . . 415 ASP N . 15525 1 299 . 1 1 26 26 LEU H H 1 7.802 0.002 . 1 . . . . 416 LEU H . 15525 1 300 . 1 1 26 26 LEU HA H 1 4.188 0.005 . 1 . . . . 416 LEU HA . 15525 1 301 . 1 1 26 26 LEU HB2 H 1 1.662 0.004 . 2 . . . . 416 LEU HB2 . 15525 1 302 . 1 1 26 26 LEU HB3 H 1 1.416 0.006 . 2 . . . . 416 LEU HB3 . 15525 1 303 . 1 1 26 26 LEU HD11 H 1 0.602 0.005 . 2 . . . . 416 LEU HD11 . 15525 1 304 . 1 1 26 26 LEU HD12 H 1 0.602 0.005 . 2 . . . . 416 LEU HD12 . 15525 1 305 . 1 1 26 26 LEU HD13 H 1 0.602 0.005 . 2 . . . . 416 LEU HD13 . 15525 1 306 . 1 1 26 26 LEU HD21 H 1 0.880 0.004 . 2 . . . . 416 LEU HD21 . 15525 1 307 . 1 1 26 26 LEU HD22 H 1 0.880 0.004 . 2 . . . . 416 LEU HD22 . 15525 1 308 . 1 1 26 26 LEU HD23 H 1 0.880 0.004 . 2 . . . . 416 LEU HD23 . 15525 1 309 . 1 1 26 26 LEU HG H 1 1.687 0.010 . 1 . . . . 416 LEU HG . 15525 1 310 . 1 1 26 26 LEU C C 13 178.777 0.000 . 1 . . . . 416 LEU C . 15525 1 311 . 1 1 26 26 LEU CA C 13 56.160 0.055 . 1 . . . . 416 LEU CA . 15525 1 312 . 1 1 26 26 LEU CB C 13 41.811 0.021 . 1 . . . . 416 LEU CB . 15525 1 313 . 1 1 26 26 LEU CD1 C 13 26.697 0.055 . 2 . . . . 416 LEU CD1 . 15525 1 314 . 1 1 26 26 LEU CD2 C 13 23.493 0.020 . 2 . . . . 416 LEU CD2 . 15525 1 315 . 1 1 26 26 LEU CG C 13 27.167 0.018 . 1 . . . . 416 LEU CG . 15525 1 316 . 1 1 26 26 LEU N N 15 118.744 0.016 . 1 . . . . 416 LEU N . 15525 1 317 . 1 1 27 27 GLN H H 1 7.650 0.004 . 1 . . . . 417 GLN H . 15525 1 318 . 1 1 27 27 GLN HA H 1 4.326 0.011 . 1 . . . . 417 GLN HA . 15525 1 319 . 1 1 27 27 GLN HB2 H 1 2.153 0.011 . 2 . . . . 417 GLN HB2 . 15525 1 320 . 1 1 27 27 GLN HB3 H 1 2.072 0.016 . 2 . . . . 417 GLN HB3 . 15525 1 321 . 1 1 27 27 GLN HE21 H 1 6.714 0.001 . 1 . . . . 417 GLN HE21 . 15525 1 322 . 1 1 27 27 GLN HE22 H 1 7.190 0.002 . 1 . . . . 417 GLN HE22 . 15525 1 323 . 1 1 27 27 GLN HG2 H 1 2.374 0.013 . 2 . . . . 417 GLN HG2 . 15525 1 324 . 1 1 27 27 GLN HG3 H 1 2.463 0.010 . 2 . . . . 417 GLN HG3 . 15525 1 325 . 1 1 27 27 GLN C C 13 177.029 0.000 . 1 . . . . 417 GLN C . 15525 1 326 . 1 1 27 27 GLN CA C 13 57.531 0.072 . 1 . . . . 417 GLN CA . 15525 1 327 . 1 1 27 27 GLN CB C 13 28.636 0.078 . 1 . . . . 417 GLN CB . 15525 1 328 . 1 1 27 27 GLN CG C 13 33.727 0.048 . 1 . . . . 417 GLN CG . 15525 1 329 . 1 1 27 27 GLN N N 15 118.323 0.023 . 1 . . . . 417 GLN N . 15525 1 330 . 1 1 27 27 GLN NE2 N 15 110.579 0.025 . 1 . . . . 417 GLN NE2 . 15525 1 331 . 1 1 28 28 GLY H H 1 8.154 0.001 . 1 . . . . 418 GLY H . 15525 1 332 . 1 1 28 28 GLY HA2 H 1 3.856 0.006 . 2 . . . . 418 GLY HA2 . 15525 1 333 . 1 1 28 28 GLY HA3 H 1 3.943 0.012 . 2 . . . . 418 GLY HA3 . 15525 1 334 . 1 1 28 28 GLY C C 13 175.282 0.000 . 1 . . . . 418 GLY C . 15525 1 335 . 1 1 28 28 GLY CA C 13 45.507 0.044 . 1 . . . . 418 GLY CA . 15525 1 336 . 1 1 28 28 GLY N N 15 107.830 0.014 . 1 . . . . 418 GLY N . 15525 1 337 . 1 1 29 29 GLY H H 1 7.880 0.003 . 1 . . . . 419 GLY H . 15525 1 338 . 1 1 29 29 GLY HA2 H 1 3.713 0.011 . 2 . . . . 419 GLY HA2 . 15525 1 339 . 1 1 29 29 GLY HA3 H 1 3.979 0.004 . 2 . . . . 419 GLY HA3 . 15525 1 340 . 1 1 29 29 GLY C C 13 174.289 0.000 . 1 . . . . 419 GLY C . 15525 1 341 . 1 1 29 29 GLY CA C 13 45.509 0.027 . 1 . . . . 419 GLY CA . 15525 1 342 . 1 1 29 29 GLY N N 15 106.714 0.013 . 1 . . . . 419 GLY N . 15525 1 343 . 1 1 30 30 ILE H H 1 7.524 0.004 . 1 . . . . 420 ILE H . 15525 1 344 . 1 1 30 30 ILE HA H 1 3.979 0.004 . 1 . . . . 420 ILE HA . 15525 1 345 . 1 1 30 30 ILE HB H 1 1.780 0.003 . 1 . . . . 420 ILE HB . 15525 1 346 . 1 1 30 30 ILE HD11 H 1 0.744 0.005 . 1 . . . . 420 ILE HD11 . 15525 1 347 . 1 1 30 30 ILE HD12 H 1 0.744 0.005 . 1 . . . . 420 ILE HD12 . 15525 1 348 . 1 1 30 30 ILE HD13 H 1 0.744 0.005 . 1 . . . . 420 ILE HD13 . 15525 1 349 . 1 1 30 30 ILE HG12 H 1 1.347 0.003 . 2 . . . . 420 ILE HG12 . 15525 1 350 . 1 1 30 30 ILE HG13 H 1 1.089 0.004 . 2 . . . . 420 ILE HG13 . 15525 1 351 . 1 1 30 30 ILE HG21 H 1 0.785 0.006 . 1 . . . . 420 ILE HG21 . 15525 1 352 . 1 1 30 30 ILE HG22 H 1 0.785 0.006 . 1 . . . . 420 ILE HG22 . 15525 1 353 . 1 1 30 30 ILE HG23 H 1 0.785 0.006 . 1 . . . . 420 ILE HG23 . 15525 1 354 . 1 1 30 30 ILE C C 13 175.954 0.000 . 1 . . . . 420 ILE C . 15525 1 355 . 1 1 30 30 ILE CA C 13 60.813 0.029 . 1 . . . . 420 ILE CA . 15525 1 356 . 1 1 30 30 ILE CB C 13 37.739 0.030 . 1 . . . . 420 ILE CB . 15525 1 357 . 1 1 30 30 ILE CD1 C 13 12.407 0.014 . 1 . . . . 420 ILE CD1 . 15525 1 358 . 1 1 30 30 ILE CG1 C 13 27.306 0.045 . 1 . . . . 420 ILE CG1 . 15525 1 359 . 1 1 30 30 ILE CG2 C 13 17.492 0.036 . 1 . . . . 420 ILE CG2 . 15525 1 360 . 1 1 30 30 ILE N N 15 120.092 0.013 . 1 . . . . 420 ILE N . 15525 1 361 . 1 1 31 31 LYS H H 1 8.386 0.001 . 1 . . . . 421 LYS H . 15525 1 362 . 1 1 31 31 LYS HA H 1 4.280 0.007 . 1 . . . . 421 LYS HA . 15525 1 363 . 1 1 31 31 LYS HB2 H 1 1.643 0.003 . 2 . . . . 421 LYS HB2 . 15525 1 364 . 1 1 31 31 LYS HB3 H 1 1.745 0.005 . 2 . . . . 421 LYS HB3 . 15525 1 365 . 1 1 31 31 LYS HD2 H 1 1.581 0.007 . 1 . . . . 421 LYS HD2 . 15525 1 366 . 1 1 31 31 LYS HD3 H 1 1.581 0.007 . 1 . . . . 421 LYS HD3 . 15525 1 367 . 1 1 31 31 LYS HE2 H 1 2.894 0.012 . 1 . . . . 421 LYS HE2 . 15525 1 368 . 1 1 31 31 LYS HE3 H 1 2.894 0.012 . 1 . . . . 421 LYS HE3 . 15525 1 369 . 1 1 31 31 LYS HG2 H 1 1.276 0.022 . 2 . . . . 421 LYS HG2 . 15525 1 370 . 1 1 31 31 LYS HG3 H 1 1.298 0.021 . 2 . . . . 421 LYS HG3 . 15525 1 371 . 1 1 31 31 LYS C C 13 176.025 0.000 . 1 . . . . 421 LYS C . 15525 1 372 . 1 1 31 31 LYS CA C 13 55.686 0.042 . 1 . . . . 421 LYS CA . 15525 1 373 . 1 1 31 31 LYS CB C 13 32.235 0.109 . 1 . . . . 421 LYS CB . 15525 1 374 . 1 1 31 31 LYS CD C 13 29.263 0.000 . 1 . . . . 421 LYS CD . 15525 1 375 . 1 1 31 31 LYS CE C 13 42.087 0.039 . 1 . . . . 421 LYS CE . 15525 1 376 . 1 1 31 31 LYS CG C 13 24.384 0.061 . 1 . . . . 421 LYS CG . 15525 1 377 . 1 1 31 31 LYS N N 15 128.446 0.020 . 1 . . . . 421 LYS N . 15525 1 378 . 1 1 32 32 ASP H H 1 8.663 0.005 . 1 . . . . 422 ASP H . 15525 1 379 . 1 1 32 32 ASP HA H 1 4.555 0.006 . 1 . . . . 422 ASP HA . 15525 1 380 . 1 1 32 32 ASP HB2 H 1 2.312 0.007 . 2 . . . . 422 ASP HB2 . 15525 1 381 . 1 1 32 32 ASP HB3 H 1 2.656 0.008 . 2 . . . . 422 ASP HB3 . 15525 1 382 . 1 1 32 32 ASP C C 13 175.286 0.000 . 1 . . . . 422 ASP C . 15525 1 383 . 1 1 32 32 ASP CA C 13 53.334 0.038 . 1 . . . . 422 ASP CA . 15525 1 384 . 1 1 32 32 ASP CB C 13 41.722 0.068 . 1 . . . . 422 ASP CB . 15525 1 385 . 1 1 32 32 ASP N N 15 126.279 0.013 . 1 . . . . 422 ASP N . 15525 1 386 . 1 1 33 33 LEU H H 1 8.665 0.002 . 1 . . . . 423 LEU H . 15525 1 387 . 1 1 33 33 LEU HA H 1 3.924 0.005 . 1 . . . . 423 LEU HA . 15525 1 388 . 1 1 33 33 LEU HB2 H 1 1.582 0.006 . 2 . . . . 423 LEU HB2 . 15525 1 389 . 1 1 33 33 LEU HB3 H 1 1.527 0.008 . 2 . . . . 423 LEU HB3 . 15525 1 390 . 1 1 33 33 LEU HD11 H 1 0.795 0.005 . 2 . . . . 423 LEU HD11 . 15525 1 391 . 1 1 33 33 LEU HD12 H 1 0.795 0.005 . 2 . . . . 423 LEU HD12 . 15525 1 392 . 1 1 33 33 LEU HD13 H 1 0.795 0.005 . 2 . . . . 423 LEU HD13 . 15525 1 393 . 1 1 33 33 LEU HD21 H 1 0.794 0.006 . 2 . . . . 423 LEU HD21 . 15525 1 394 . 1 1 33 33 LEU HD22 H 1 0.794 0.006 . 2 . . . . 423 LEU HD22 . 15525 1 395 . 1 1 33 33 LEU HD23 H 1 0.794 0.006 . 2 . . . . 423 LEU HD23 . 15525 1 396 . 1 1 33 33 LEU HG H 1 1.576 0.003 . 1 . . . . 423 LEU HG . 15525 1 397 . 1 1 33 33 LEU C C 13 179.299 0.000 . 1 . . . . 423 LEU C . 15525 1 398 . 1 1 33 33 LEU CA C 13 58.237 0.003 . 1 . . . . 423 LEU CA . 15525 1 399 . 1 1 33 33 LEU CB C 13 41.961 0.017 . 1 . . . . 423 LEU CB . 15525 1 400 . 1 1 33 33 LEU CD1 C 13 23.877 0.034 . 2 . . . . 423 LEU CD1 . 15525 1 401 . 1 1 33 33 LEU CD2 C 13 23.878 0.034 . 2 . . . . 423 LEU CD2 . 15525 1 402 . 1 1 33 33 LEU CG C 13 27.187 0.024 . 1 . . . . 423 LEU CG . 15525 1 403 . 1 1 33 33 LEU N N 15 125.947 0.012 . 1 . . . . 423 LEU N . 15525 1 404 . 1 1 34 34 SER H H 1 8.170 0.002 . 1 . . . . 424 SER H . 15525 1 405 . 1 1 34 34 SER HA H 1 4.178 0.006 . 1 . . . . 424 SER HA . 15525 1 406 . 1 1 34 34 SER HB2 H 1 3.857 0.004 . 1 . . . . 424 SER HB2 . 15525 1 407 . 1 1 34 34 SER HB3 H 1 3.857 0.004 . 1 . . . . 424 SER HB3 . 15525 1 408 . 1 1 34 34 SER C C 13 177.649 0.000 . 1 . . . . 424 SER C . 15525 1 409 . 1 1 34 34 SER CA C 13 61.463 0.049 . 1 . . . . 424 SER CA . 15525 1 410 . 1 1 34 34 SER CB C 13 62.550 0.028 . 1 . . . . 424 SER CB . 15525 1 411 . 1 1 34 34 SER N N 15 114.004 0.020 . 1 . . . . 424 SER N . 15525 1 412 . 1 1 35 35 LYS H H 1 7.736 0.004 . 1 . . . . 425 LYS H . 15525 1 413 . 1 1 35 35 LYS HA H 1 3.922 0.004 . 1 . . . . 425 LYS HA . 15525 1 414 . 1 1 35 35 LYS HB2 H 1 1.572 0.018 . 2 . . . . 425 LYS HB2 . 15525 1 415 . 1 1 35 35 LYS HB3 H 1 1.758 0.007 . 2 . . . . 425 LYS HB3 . 15525 1 416 . 1 1 35 35 LYS HD2 H 1 1.466 0.003 . 1 . . . . 425 LYS HD2 . 15525 1 417 . 1 1 35 35 LYS HD3 H 1 1.466 0.003 . 1 . . . . 425 LYS HD3 . 15525 1 418 . 1 1 35 35 LYS HE2 H 1 2.844 0.011 . 1 . . . . 425 LYS HE2 . 15525 1 419 . 1 1 35 35 LYS HE3 H 1 2.844 0.011 . 1 . . . . 425 LYS HE3 . 15525 1 420 . 1 1 35 35 LYS HG2 H 1 1.191 0.005 . 2 . . . . 425 LYS HG2 . 15525 1 421 . 1 1 35 35 LYS HG3 H 1 1.420 0.005 . 2 . . . . 425 LYS HG3 . 15525 1 422 . 1 1 35 35 LYS C C 13 178.342 0.000 . 1 . . . . 425 LYS C . 15525 1 423 . 1 1 35 35 LYS CA C 13 59.623 0.048 . 1 . . . . 425 LYS CA . 15525 1 424 . 1 1 35 35 LYS CB C 13 32.952 0.041 . 1 . . . . 425 LYS CB . 15525 1 425 . 1 1 35 35 LYS CD C 13 29.417 0.024 . 1 . . . . 425 LYS CD . 15525 1 426 . 1 1 35 35 LYS CE C 13 42.015 0.032 . 1 . . . . 425 LYS CE . 15525 1 427 . 1 1 35 35 LYS CG C 13 26.866 0.085 . 1 . . . . 425 LYS CG . 15525 1 428 . 1 1 35 35 LYS N N 15 123.141 0.014 . 1 . . . . 425 LYS N . 15525 1 429 . 1 1 36 36 GLU H H 1 8.105 0.002 . 1 . . . . 426 GLU H . 15525 1 430 . 1 1 36 36 GLU HA H 1 3.760 0.006 . 1 . . . . 426 GLU HA . 15525 1 431 . 1 1 36 36 GLU HB2 H 1 1.863 0.008 . 2 . . . . 426 GLU HB2 . 15525 1 432 . 1 1 36 36 GLU HB3 H 1 2.172 0.008 . 2 . . . . 426 GLU HB3 . 15525 1 433 . 1 1 36 36 GLU HG2 H 1 2.069 0.005 . 2 . . . . 426 GLU HG2 . 15525 1 434 . 1 1 36 36 GLU HG3 H 1 2.637 0.007 . 2 . . . . 426 GLU HG3 . 15525 1 435 . 1 1 36 36 GLU C C 13 179.006 0.000 . 1 . . . . 426 GLU C . 15525 1 436 . 1 1 36 36 GLU CA C 13 60.132 0.071 . 1 . . . . 426 GLU CA . 15525 1 437 . 1 1 36 36 GLU CB C 13 29.527 0.037 . 1 . . . . 426 GLU CB . 15525 1 438 . 1 1 36 36 GLU CG C 13 37.888 0.059 . 1 . . . . 426 GLU CG . 15525 1 439 . 1 1 36 36 GLU N N 15 118.712 0.024 . 1 . . . . 426 GLU N . 15525 1 440 . 1 1 37 37 GLU H H 1 8.007 0.002 . 1 . . . . 427 GLU H . 15525 1 441 . 1 1 37 37 GLU HA H 1 3.949 0.005 . 1 . . . . 427 GLU HA . 15525 1 442 . 1 1 37 37 GLU HB2 H 1 2.015 0.002 . 1 . . . . 427 GLU HB2 . 15525 1 443 . 1 1 37 37 GLU HB3 H 1 2.015 0.002 . 1 . . . . 427 GLU HB3 . 15525 1 444 . 1 1 37 37 GLU HG2 H 1 2.068 0.002 . 2 . . . . 427 GLU HG2 . 15525 1 445 . 1 1 37 37 GLU HG3 H 1 2.257 0.002 . 2 . . . . 427 GLU HG3 . 15525 1 446 . 1 1 37 37 GLU C C 13 180.159 0.000 . 1 . . . . 427 GLU C . 15525 1 447 . 1 1 37 37 GLU CA C 13 59.298 0.005 . 1 . . . . 427 GLU CA . 15525 1 448 . 1 1 37 37 GLU CB C 13 28.944 0.036 . 1 . . . . 427 GLU CB . 15525 1 449 . 1 1 37 37 GLU CG C 13 36.331 0.019 . 1 . . . . 427 GLU CG . 15525 1 450 . 1 1 37 37 GLU N N 15 117.992 0.013 . 1 . . . . 427 GLU N . 15525 1 451 . 1 1 38 38 ARG H H 1 7.783 0.005 . 1 . . . . 428 ARG H . 15525 1 452 . 1 1 38 38 ARG HA H 1 4.073 0.004 . 1 . . . . 428 ARG HA . 15525 1 453 . 1 1 38 38 ARG HB2 H 1 1.894 0.015 . 1 . . . . 428 ARG HB2 . 15525 1 454 . 1 1 38 38 ARG HB3 H 1 1.894 0.015 . 1 . . . . 428 ARG HB3 . 15525 1 455 . 1 1 38 38 ARG HD2 H 1 3.198 0.020 . 2 . . . . 428 ARG HD2 . 15525 1 456 . 1 1 38 38 ARG HD3 H 1 3.030 0.016 . 2 . . . . 428 ARG HD3 . 15525 1 457 . 1 1 38 38 ARG HG2 H 1 1.486 0.002 . 2 . . . . 428 ARG HG2 . 15525 1 458 . 1 1 38 38 ARG HG3 H 1 1.693 0.002 . 2 . . . . 428 ARG HG3 . 15525 1 459 . 1 1 38 38 ARG C C 13 177.349 0.000 . 1 . . . . 428 ARG C . 15525 1 460 . 1 1 38 38 ARG CA C 13 58.557 0.050 . 1 . . . . 428 ARG CA . 15525 1 461 . 1 1 38 38 ARG CB C 13 29.459 0.055 . 1 . . . . 428 ARG CB . 15525 1 462 . 1 1 38 38 ARG CD C 13 43.276 0.043 . 1 . . . . 428 ARG CD . 15525 1 463 . 1 1 38 38 ARG CG C 13 27.386 0.055 . 1 . . . . 428 ARG CG . 15525 1 464 . 1 1 38 38 ARG N N 15 120.920 0.014 . 1 . . . . 428 ARG N . 15525 1 465 . 1 1 39 39 LEU H H 1 8.096 0.003 . 1 . . . . 429 LEU H . 15525 1 466 . 1 1 39 39 LEU HA H 1 3.716 0.008 . 1 . . . . 429 LEU HA . 15525 1 467 . 1 1 39 39 LEU HB2 H 1 1.530 0.012 . 2 . . . . 429 LEU HB2 . 15525 1 468 . 1 1 39 39 LEU HB3 H 1 1.969 0.012 . 2 . . . . 429 LEU HB3 . 15525 1 469 . 1 1 39 39 LEU HD11 H 1 0.072 0.003 . 2 . . . . 429 LEU HD11 . 15525 1 470 . 1 1 39 39 LEU HD12 H 1 0.072 0.003 . 2 . . . . 429 LEU HD12 . 15525 1 471 . 1 1 39 39 LEU HD13 H 1 0.072 0.003 . 2 . . . . 429 LEU HD13 . 15525 1 472 . 1 1 39 39 LEU HD21 H 1 0.219 0.005 . 2 . . . . 429 LEU HD21 . 15525 1 473 . 1 1 39 39 LEU HD22 H 1 0.219 0.005 . 2 . . . . 429 LEU HD22 . 15525 1 474 . 1 1 39 39 LEU HD23 H 1 0.219 0.005 . 2 . . . . 429 LEU HD23 . 15525 1 475 . 1 1 39 39 LEU HG H 1 1.393 0.009 . 1 . . . . 429 LEU HG . 15525 1 476 . 1 1 39 39 LEU C C 13 178.763 0.000 . 1 . . . . 429 LEU C . 15525 1 477 . 1 1 39 39 LEU CA C 13 58.551 0.056 . 1 . . . . 429 LEU CA . 15525 1 478 . 1 1 39 39 LEU CB C 13 42.534 0.065 . 1 . . . . 429 LEU CB . 15525 1 479 . 1 1 39 39 LEU CD1 C 13 24.482 0.077 . 2 . . . . 429 LEU CD1 . 15525 1 480 . 1 1 39 39 LEU CD2 C 13 24.812 0.036 . 2 . . . . 429 LEU CD2 . 15525 1 481 . 1 1 39 39 LEU CG C 13 25.991 0.068 . 1 . . . . 429 LEU CG . 15525 1 482 . 1 1 39 39 LEU N N 15 119.652 0.010 . 1 . . . . 429 LEU N . 15525 1 483 . 1 1 40 40 TRP H H 1 7.741 0.006 . 1 . . . . 430 TRP H . 15525 1 484 . 1 1 40 40 TRP HA H 1 3.947 0.008 . 1 . . . . 430 TRP HA . 15525 1 485 . 1 1 40 40 TRP HB2 H 1 3.222 0.013 . 2 . . . . 430 TRP HB2 . 15525 1 486 . 1 1 40 40 TRP HB3 H 1 3.117 0.002 . 2 . . . . 430 TRP HB3 . 15525 1 487 . 1 1 40 40 TRP HD1 H 1 7.652 0.005 . 1 . . . . 430 TRP HD1 . 15525 1 488 . 1 1 40 40 TRP HE1 H 1 10.865 0.003 . 1 . . . . 430 TRP HE1 . 15525 1 489 . 1 1 40 40 TRP HE3 H 1 7.540 0.004 . 1 . . . . 430 TRP HE3 . 15525 1 490 . 1 1 40 40 TRP HH2 H 1 6.672 0.010 . 1 . . . . 430 TRP HH2 . 15525 1 491 . 1 1 40 40 TRP HZ2 H 1 7.110 0.011 . 1 . . . . 430 TRP HZ2 . 15525 1 492 . 1 1 40 40 TRP HZ3 H 1 6.691 0.008 . 1 . . . . 430 TRP HZ3 . 15525 1 493 . 1 1 40 40 TRP C C 13 177.855 0.000 . 1 . . . . 430 TRP C . 15525 1 494 . 1 1 40 40 TRP CA C 13 61.767 0.121 . 1 . . . . 430 TRP CA . 15525 1 495 . 1 1 40 40 TRP CB C 13 29.248 0.000 . 1 . . . . 430 TRP CB . 15525 1 496 . 1 1 40 40 TRP CD1 C 13 126.129 0.087 . 1 . . . . 430 TRP CD1 . 15525 1 497 . 1 1 40 40 TRP CE3 C 13 120.818 0.028 . 1 . . . . 430 TRP CE3 . 15525 1 498 . 1 1 40 40 TRP CH2 C 13 125.126 0.022 . 1 . . . . 430 TRP CH2 . 15525 1 499 . 1 1 40 40 TRP CZ2 C 13 113.751 0.099 . 1 . . . . 430 TRP CZ2 . 15525 1 500 . 1 1 40 40 TRP CZ3 C 13 122.383 0.114 . 1 . . . . 430 TRP CZ3 . 15525 1 501 . 1 1 40 40 TRP N N 15 117.170 0.015 . 1 . . . . 430 TRP N . 15525 1 502 . 1 1 40 40 TRP NE1 N 15 129.816 0.017 . 1 . . . . 430 TRP NE1 . 15525 1 503 . 1 1 41 41 GLU H H 1 7.754 0.002 . 1 . . . . 431 GLU H . 15525 1 504 . 1 1 41 41 GLU HA H 1 3.827 0.030 . 1 . . . . 431 GLU HA . 15525 1 505 . 1 1 41 41 GLU HB2 H 1 2.065 0.011 . 2 . . . . 431 GLU HB2 . 15525 1 506 . 1 1 41 41 GLU HB3 H 1 2.228 0.010 . 2 . . . . 431 GLU HB3 . 15525 1 507 . 1 1 41 41 GLU HG2 H 1 2.058 0.004 . 2 . . . . 431 GLU HG2 . 15525 1 508 . 1 1 41 41 GLU HG3 H 1 2.179 0.008 . 2 . . . . 431 GLU HG3 . 15525 1 509 . 1 1 41 41 GLU C C 13 178.108 0.000 . 1 . . . . 431 GLU C . 15525 1 510 . 1 1 41 41 GLU CA C 13 59.597 0.005 . 1 . . . . 431 GLU CA . 15525 1 511 . 1 1 41 41 GLU CB C 13 30.029 0.151 . 1 . . . . 431 GLU CB . 15525 1 512 . 1 1 41 41 GLU CG C 13 36.081 0.028 . 1 . . . . 431 GLU CG . 15525 1 513 . 1 1 41 41 GLU N N 15 120.406 0.008 . 1 . . . . 431 GLU N . 15525 1 514 . 1 1 42 42 VAL H H 1 8.894 0.009 . 1 . . . . 432 VAL H . 15525 1 515 . 1 1 42 42 VAL HA H 1 3.523 0.007 . 1 . . . . 432 VAL HA . 15525 1 516 . 1 1 42 42 VAL HB H 1 1.895 0.005 . 1 . . . . 432 VAL HB . 15525 1 517 . 1 1 42 42 VAL HG11 H 1 0.973 0.005 . 2 . . . . 432 VAL HG11 . 15525 1 518 . 1 1 42 42 VAL HG12 H 1 0.973 0.005 . 2 . . . . 432 VAL HG12 . 15525 1 519 . 1 1 42 42 VAL HG13 H 1 0.973 0.005 . 2 . . . . 432 VAL HG13 . 15525 1 520 . 1 1 42 42 VAL HG21 H 1 0.994 0.006 . 2 . . . . 432 VAL HG21 . 15525 1 521 . 1 1 42 42 VAL HG22 H 1 0.994 0.006 . 2 . . . . 432 VAL HG22 . 15525 1 522 . 1 1 42 42 VAL HG23 H 1 0.994 0.006 . 2 . . . . 432 VAL HG23 . 15525 1 523 . 1 1 42 42 VAL C C 13 178.178 0.000 . 1 . . . . 432 VAL C . 15525 1 524 . 1 1 42 42 VAL CA C 13 66.496 0.048 . 1 . . . . 432 VAL CA . 15525 1 525 . 1 1 42 42 VAL CB C 13 31.492 0.064 . 1 . . . . 432 VAL CB . 15525 1 526 . 1 1 42 42 VAL CG1 C 13 23.507 0.061 . 2 . . . . 432 VAL CG1 . 15525 1 527 . 1 1 42 42 VAL CG2 C 13 22.966 0.113 . 2 . . . . 432 VAL CG2 . 15525 1 528 . 1 1 42 42 VAL N N 15 119.473 0.003 . 1 . . . . 432 VAL N . 15525 1 529 . 1 1 43 43 GLN H H 1 7.915 0.006 . 1 . . . . 433 GLN H . 15525 1 530 . 1 1 43 43 GLN HA H 1 3.927 0.003 . 1 . . . . 433 GLN HA . 15525 1 531 . 1 1 43 43 GLN HB2 H 1 1.897 0.007 . 2 . . . . 433 GLN HB2 . 15525 1 532 . 1 1 43 43 GLN HB3 H 1 2.009 0.017 . 2 . . . . 433 GLN HB3 . 15525 1 533 . 1 1 43 43 GLN HE21 H 1 6.659 0.003 . 1 . . . . 433 GLN HE21 . 15525 1 534 . 1 1 43 43 GLN HE22 H 1 7.752 0.003 . 1 . . . . 433 GLN HE22 . 15525 1 535 . 1 1 43 43 GLN HG2 H 1 2.262 0.012 . 1 . . . . 433 GLN HG2 . 15525 1 536 . 1 1 43 43 GLN HG3 H 1 2.262 0.012 . 1 . . . . 433 GLN HG3 . 15525 1 537 . 1 1 43 43 GLN C C 13 177.625 0.000 . 1 . . . . 433 GLN C . 15525 1 538 . 1 1 43 43 GLN CA C 13 58.285 0.001 . 1 . . . . 433 GLN CA . 15525 1 539 . 1 1 43 43 GLN CB C 13 29.638 0.072 . 1 . . . . 433 GLN CB . 15525 1 540 . 1 1 43 43 GLN CG C 13 36.069 0.034 . 1 . . . . 433 GLN CG . 15525 1 541 . 1 1 43 43 GLN N N 15 117.754 0.020 . 1 . . . . 433 GLN N . 15525 1 542 . 1 1 43 43 GLN NE2 N 15 117.564 0.027 . 1 . . . . 433 GLN NE2 . 15525 1 543 . 1 1 44 44 ARG H H 1 8.302 0.004 . 1 . . . . 434 ARG H . 15525 1 544 . 1 1 44 44 ARG HA H 1 3.938 0.004 . 1 . . . . 434 ARG HA . 15525 1 545 . 1 1 44 44 ARG HB2 H 1 1.966 0.007 . 2 . . . . 434 ARG HB2 . 15525 1 546 . 1 1 44 44 ARG HB3 H 1 1.844 0.009 . 2 . . . . 434 ARG HB3 . 15525 1 547 . 1 1 44 44 ARG HD2 H 1 3.095 0.008 . 1 . . . . 434 ARG HD2 . 15525 1 548 . 1 1 44 44 ARG HD3 H 1 3.095 0.008 . 1 . . . . 434 ARG HD3 . 15525 1 549 . 1 1 44 44 ARG HG2 H 1 1.467 0.007 . 2 . . . . 434 ARG HG2 . 15525 1 550 . 1 1 44 44 ARG HG3 H 1 1.467 0.007 . 2 . . . . 434 ARG HG3 . 15525 1 551 . 1 1 44 44 ARG C C 13 179.889 0.000 . 1 . . . . 434 ARG C . 15525 1 552 . 1 1 44 44 ARG CA C 13 59.442 0.004 . 1 . . . . 434 ARG CA . 15525 1 553 . 1 1 44 44 ARG CB C 13 30.146 0.091 . 1 . . . . 434 ARG CB . 15525 1 554 . 1 1 44 44 ARG CD C 13 43.455 0.017 . 1 . . . . 434 ARG CD . 15525 1 555 . 1 1 44 44 ARG CG C 13 28.274 0.057 . 1 . . . . 434 ARG CG . 15525 1 556 . 1 1 44 44 ARG N N 15 120.509 0.022 . 1 . . . . 434 ARG N . 15525 1 557 . 1 1 45 45 ILE H H 1 8.127 0.002 . 1 . . . . 435 ILE H . 15525 1 558 . 1 1 45 45 ILE HA H 1 3.664 0.005 . 1 . . . . 435 ILE HA . 15525 1 559 . 1 1 45 45 ILE HB H 1 1.972 0.005 . 1 . . . . 435 ILE HB . 15525 1 560 . 1 1 45 45 ILE HD11 H 1 0.749 0.003 . 1 . . . . 435 ILE HD11 . 15525 1 561 . 1 1 45 45 ILE HD12 H 1 0.749 0.003 . 1 . . . . 435 ILE HD12 . 15525 1 562 . 1 1 45 45 ILE HD13 H 1 0.749 0.003 . 1 . . . . 435 ILE HD13 . 15525 1 563 . 1 1 45 45 ILE HG12 H 1 1.727 0.005 . 2 . . . . 435 ILE HG12 . 15525 1 564 . 1 1 45 45 ILE HG13 H 1 1.024 0.003 . 2 . . . . 435 ILE HG13 . 15525 1 565 . 1 1 45 45 ILE HG21 H 1 0.806 0.005 . 1 . . . . 435 ILE HG21 . 15525 1 566 . 1 1 45 45 ILE HG22 H 1 0.806 0.005 . 1 . . . . 435 ILE HG22 . 15525 1 567 . 1 1 45 45 ILE HG23 H 1 0.806 0.005 . 1 . . . . 435 ILE HG23 . 15525 1 568 . 1 1 45 45 ILE C C 13 178.372 0.000 . 1 . . . . 435 ILE C . 15525 1 569 . 1 1 45 45 ILE CA C 13 64.942 0.029 . 1 . . . . 435 ILE CA . 15525 1 570 . 1 1 45 45 ILE CB C 13 38.010 0.064 . 1 . . . . 435 ILE CB . 15525 1 571 . 1 1 45 45 ILE CD1 C 13 13.437 0.066 . 1 . . . . 435 ILE CD1 . 15525 1 572 . 1 1 45 45 ILE CG1 C 13 29.150 0.035 . 1 . . . . 435 ILE CG1 . 15525 1 573 . 1 1 45 45 ILE CG2 C 13 17.128 0.038 . 1 . . . . 435 ILE CG2 . 15525 1 574 . 1 1 45 45 ILE N N 15 123.355 0.017 . 1 . . . . 435 ILE N . 15525 1 575 . 1 1 46 46 LEU H H 1 8.460 0.001 . 1 . . . . 436 LEU H . 15525 1 576 . 1 1 46 46 LEU HA H 1 3.923 0.005 . 1 . . . . 436 LEU HA . 15525 1 577 . 1 1 46 46 LEU HB2 H 1 1.750 0.005 . 2 . . . . 436 LEU HB2 . 15525 1 578 . 1 1 46 46 LEU HB3 H 1 1.750 0.005 . 2 . . . . 436 LEU HB3 . 15525 1 579 . 1 1 46 46 LEU HD11 H 1 0.948 0.006 . 2 . . . . 436 LEU HD11 . 15525 1 580 . 1 1 46 46 LEU HD12 H 1 0.948 0.006 . 2 . . . . 436 LEU HD12 . 15525 1 581 . 1 1 46 46 LEU HD13 H 1 0.948 0.006 . 2 . . . . 436 LEU HD13 . 15525 1 582 . 1 1 46 46 LEU HD21 H 1 0.905 0.007 . 2 . . . . 436 LEU HD21 . 15525 1 583 . 1 1 46 46 LEU HD22 H 1 0.905 0.007 . 2 . . . . 436 LEU HD22 . 15525 1 584 . 1 1 46 46 LEU HD23 H 1 0.905 0.007 . 2 . . . . 436 LEU HD23 . 15525 1 585 . 1 1 46 46 LEU HG H 1 1.527 0.003 . 1 . . . . 436 LEU HG . 15525 1 586 . 1 1 46 46 LEU C C 13 178.677 0.000 . 1 . . . . 436 LEU C . 15525 1 587 . 1 1 46 46 LEU CA C 13 58.883 0.104 . 1 . . . . 436 LEU CA . 15525 1 588 . 1 1 46 46 LEU CB C 13 42.529 0.030 . 1 . . . . 436 LEU CB . 15525 1 589 . 1 1 46 46 LEU CD1 C 13 26.880 0.079 . 2 . . . . 436 LEU CD1 . 15525 1 590 . 1 1 46 46 LEU CD2 C 13 26.115 0.046 . 2 . . . . 436 LEU CD2 . 15525 1 591 . 1 1 46 46 LEU CG C 13 27.783 0.009 . 1 . . . . 436 LEU CG . 15525 1 592 . 1 1 46 46 LEU N N 15 121.472 0.007 . 1 . . . . 436 LEU N . 15525 1 593 . 1 1 47 47 THR H H 1 8.835 0.002 . 1 . . . . 437 THR H . 15525 1 594 . 1 1 47 47 THR HA H 1 3.684 0.008 . 1 . . . . 437 THR HA . 15525 1 595 . 1 1 47 47 THR HB H 1 4.092 0.012 . 1 . . . . 437 THR HB . 15525 1 596 . 1 1 47 47 THR HG1 H 1 4.660 0.000 . 1 . . . . 437 THR HG1 . 15525 1 597 . 1 1 47 47 THR HG21 H 1 0.864 0.005 . 1 . . . . 437 THR HG21 . 15525 1 598 . 1 1 47 47 THR HG22 H 1 0.864 0.005 . 1 . . . . 437 THR HG22 . 15525 1 599 . 1 1 47 47 THR HG23 H 1 0.864 0.005 . 1 . . . . 437 THR HG23 . 15525 1 600 . 1 1 47 47 THR C C 13 176.554 0.000 . 1 . . . . 437 THR C . 15525 1 601 . 1 1 47 47 THR CA C 13 68.342 0.039 . 1 . . . . 437 THR CA . 15525 1 602 . 1 1 47 47 THR CB C 13 69.723 0.037 . 1 . . . . 437 THR CB . 15525 1 603 . 1 1 47 47 THR CG2 C 13 21.890 0.057 . 1 . . . . 437 THR CG2 . 15525 1 604 . 1 1 47 47 THR N N 15 117.441 0.007 . 1 . . . . 437 THR N . 15525 1 605 . 1 1 48 48 ALA H H 1 7.786 0.001 . 1 . . . . 438 ALA H . 15525 1 606 . 1 1 48 48 ALA HA H 1 4.080 0.004 . 1 . . . . 438 ALA HA . 15525 1 607 . 1 1 48 48 ALA HB1 H 1 1.469 0.002 . 1 . . . . 438 ALA HB1 . 15525 1 608 . 1 1 48 48 ALA HB2 H 1 1.469 0.002 . 1 . . . . 438 ALA HB2 . 15525 1 609 . 1 1 48 48 ALA HB3 H 1 1.469 0.002 . 1 . . . . 438 ALA HB3 . 15525 1 610 . 1 1 48 48 ALA C C 13 181.238 0.000 . 1 . . . . 438 ALA C . 15525 1 611 . 1 1 48 48 ALA CA C 13 55.393 0.027 . 1 . . . . 438 ALA CA . 15525 1 612 . 1 1 48 48 ALA CB C 13 18.247 0.024 . 1 . . . . 438 ALA CB . 15525 1 613 . 1 1 48 48 ALA N N 15 122.879 0.007 . 1 . . . . 438 ALA N . 15525 1 614 . 1 1 49 49 LEU H H 1 8.667 0.002 . 1 . . . . 439 LEU H . 15525 1 615 . 1 1 49 49 LEU HA H 1 3.916 0.001 . 1 . . . . 439 LEU HA . 15525 1 616 . 1 1 49 49 LEU HB2 H 1 1.215 0.007 . 2 . . . . 439 LEU HB2 . 15525 1 617 . 1 1 49 49 LEU HB3 H 1 1.894 0.004 . 2 . . . . 439 LEU HB3 . 15525 1 618 . 1 1 49 49 LEU HD11 H 1 0.741 0.005 . 2 . . . . 439 LEU HD11 . 15525 1 619 . 1 1 49 49 LEU HD12 H 1 0.741 0.005 . 2 . . . . 439 LEU HD12 . 15525 1 620 . 1 1 49 49 LEU HD13 H 1 0.741 0.005 . 2 . . . . 439 LEU HD13 . 15525 1 621 . 1 1 49 49 LEU HD21 H 1 0.821 0.008 . 2 . . . . 439 LEU HD21 . 15525 1 622 . 1 1 49 49 LEU HD22 H 1 0.821 0.008 . 2 . . . . 439 LEU HD22 . 15525 1 623 . 1 1 49 49 LEU HD23 H 1 0.821 0.008 . 2 . . . . 439 LEU HD23 . 15525 1 624 . 1 1 49 49 LEU HG H 1 1.879 0.008 . 1 . . . . 439 LEU HG . 15525 1 625 . 1 1 49 49 LEU C C 13 178.946 0.000 . 1 . . . . 439 LEU C . 15525 1 626 . 1 1 49 49 LEU CA C 13 58.156 0.022 . 1 . . . . 439 LEU CA . 15525 1 627 . 1 1 49 49 LEU CB C 13 42.973 0.035 . 1 . . . . 439 LEU CB . 15525 1 628 . 1 1 49 49 LEU CD1 C 13 26.883 0.082 . 2 . . . . 439 LEU CD1 . 15525 1 629 . 1 1 49 49 LEU CD2 C 13 22.609 0.034 . 2 . . . . 439 LEU CD2 . 15525 1 630 . 1 1 49 49 LEU CG C 13 26.918 0.035 . 1 . . . . 439 LEU CG . 15525 1 631 . 1 1 49 49 LEU N N 15 121.131 0.005 . 1 . . . . 439 LEU N . 15525 1 632 . 1 1 50 50 LYS H H 1 8.150 0.002 . 1 . . . . 440 LYS H . 15525 1 633 . 1 1 50 50 LYS HA H 1 3.745 0.004 . 1 . . . . 440 LYS HA . 15525 1 634 . 1 1 50 50 LYS HB2 H 1 1.870 0.013 . 1 . . . . 440 LYS HB2 . 15525 1 635 . 1 1 50 50 LYS HB3 H 1 1.870 0.013 . 1 . . . . 440 LYS HB3 . 15525 1 636 . 1 1 50 50 LYS HD2 H 1 1.667 0.017 . 2 . . . . 440 LYS HD2 . 15525 1 637 . 1 1 50 50 LYS HD3 H 1 1.668 0.017 . 2 . . . . 440 LYS HD3 . 15525 1 638 . 1 1 50 50 LYS HE2 H 1 2.840 0.010 . 2 . . . . 440 LYS HE2 . 15525 1 639 . 1 1 50 50 LYS HE3 H 1 2.842 0.007 . 2 . . . . 440 LYS HE3 . 15525 1 640 . 1 1 50 50 LYS HG2 H 1 1.636 0.010 . 2 . . . . 440 LYS HG2 . 15525 1 641 . 1 1 50 50 LYS HG3 H 1 1.391 0.004 . 2 . . . . 440 LYS HG3 . 15525 1 642 . 1 1 50 50 LYS CA C 13 60.243 0.030 . 1 . . . . 440 LYS CA . 15525 1 643 . 1 1 50 50 LYS CB C 13 32.220 0.057 . 1 . . . . 440 LYS CB . 15525 1 644 . 1 1 50 50 LYS CD C 13 29.704 0.080 . 1 . . . . 440 LYS CD . 15525 1 645 . 1 1 50 50 LYS CE C 13 41.936 0.015 . 1 . . . . 440 LYS CE . 15525 1 646 . 1 1 50 50 LYS CG C 13 26.339 0.053 . 1 . . . . 440 LYS CG . 15525 1 647 . 1 1 50 50 LYS N N 15 117.655 0.003 . 1 . . . . 440 LYS N . 15525 1 648 . 1 1 51 51 ARG H H 1 7.667 0.002 . 1 . . . . 441 ARG H . 15525 1 649 . 1 1 51 51 ARG HA H 1 3.930 0.004 . 1 . . . . 441 ARG HA . 15525 1 650 . 1 1 51 51 ARG HB2 H 1 1.755 0.016 . 2 . . . . 441 ARG HB2 . 15525 1 651 . 1 1 51 51 ARG HB3 H 1 1.852 0.018 . 2 . . . . 441 ARG HB3 . 15525 1 652 . 1 1 51 51 ARG HD2 H 1 3.096 0.005 . 2 . . . . 441 ARG HD2 . 15525 1 653 . 1 1 51 51 ARG HD3 H 1 3.094 0.005 . 2 . . . . 441 ARG HD3 . 15525 1 654 . 1 1 51 51 ARG HG2 H 1 1.694 0.011 . 2 . . . . 441 ARG HG2 . 15525 1 655 . 1 1 51 51 ARG HG3 H 1 1.483 0.003 . 2 . . . . 441 ARG HG3 . 15525 1 656 . 1 1 51 51 ARG C C 13 178.925 0.000 . 1 . . . . 441 ARG C . 15525 1 657 . 1 1 51 51 ARG CA C 13 59.604 0.046 . 1 . . . . 441 ARG CA . 15525 1 658 . 1 1 51 51 ARG CB C 13 30.026 0.057 . 1 . . . . 441 ARG CB . 15525 1 659 . 1 1 51 51 ARG CD C 13 43.197 0.000 . 1 . . . . 441 ARG CD . 15525 1 660 . 1 1 51 51 ARG CG C 13 27.223 0.037 . 1 . . . . 441 ARG CG . 15525 1 661 . 1 1 51 51 ARG N N 15 118.738 0.014 . 1 . . . . 441 ARG N . 15525 1 662 . 1 1 52 52 LYS H H 1 7.784 0.002 . 1 . . . . 442 LYS H . 15525 1 663 . 1 1 52 52 LYS HA H 1 3.991 0.003 . 1 . . . . 442 LYS HA . 15525 1 664 . 1 1 52 52 LYS HB2 H 1 1.879 0.008 . 2 . . . . 442 LYS HB2 . 15525 1 665 . 1 1 52 52 LYS HB3 H 1 1.945 0.010 . 2 . . . . 442 LYS HB3 . 15525 1 666 . 1 1 52 52 LYS HD2 H 1 1.571 0.006 . 2 . . . . 442 LYS HD2 . 15525 1 667 . 1 1 52 52 LYS HD3 H 1 1.571 0.006 . 2 . . . . 442 LYS HD3 . 15525 1 668 . 1 1 52 52 LYS HE2 H 1 2.844 0.003 . 1 . . . . 442 LYS HE2 . 15525 1 669 . 1 1 52 52 LYS HE3 H 1 2.844 0.003 . 1 . . . . 442 LYS HE3 . 15525 1 670 . 1 1 52 52 LYS HG2 H 1 1.380 0.005 . 2 . . . . 442 LYS HG2 . 15525 1 671 . 1 1 52 52 LYS HG3 H 1 1.519 0.006 . 2 . . . . 442 LYS HG3 . 15525 1 672 . 1 1 52 52 LYS C C 13 179.161 0.000 . 1 . . . . 442 LYS C . 15525 1 673 . 1 1 52 52 LYS CA C 13 58.501 0.061 . 1 . . . . 442 LYS CA . 15525 1 674 . 1 1 52 52 LYS CB C 13 32.442 0.027 . 1 . . . . 442 LYS CB . 15525 1 675 . 1 1 52 52 LYS CD C 13 29.298 0.048 . 1 . . . . 442 LYS CD . 15525 1 676 . 1 1 52 52 LYS CE C 13 41.955 0.002 . 1 . . . . 442 LYS CE . 15525 1 677 . 1 1 52 52 LYS CG C 13 25.193 0.071 . 1 . . . . 442 LYS CG . 15525 1 678 . 1 1 52 52 LYS N N 15 119.963 0.005 . 1 . . . . 442 LYS N . 15525 1 679 . 1 1 53 53 LEU H H 1 7.860 0.003 . 1 . . . . 443 LEU H . 15525 1 680 . 1 1 53 53 LEU HA H 1 3.995 0.003 . 1 . . . . 443 LEU HA . 15525 1 681 . 1 1 53 53 LEU HB2 H 1 1.657 0.004 . 2 . . . . 443 LEU HB2 . 15525 1 682 . 1 1 53 53 LEU HB3 H 1 1.696 0.010 . 2 . . . . 443 LEU HB3 . 15525 1 683 . 1 1 53 53 LEU HD11 H 1 0.763 0.010 . 2 . . . . 443 LEU HD11 . 15525 1 684 . 1 1 53 53 LEU HD12 H 1 0.763 0.010 . 2 . . . . 443 LEU HD12 . 15525 1 685 . 1 1 53 53 LEU HD13 H 1 0.763 0.010 . 2 . . . . 443 LEU HD13 . 15525 1 686 . 1 1 53 53 LEU HD21 H 1 0.818 0.005 . 2 . . . . 443 LEU HD21 . 15525 1 687 . 1 1 53 53 LEU HD22 H 1 0.818 0.005 . 2 . . . . 443 LEU HD22 . 15525 1 688 . 1 1 53 53 LEU HD23 H 1 0.818 0.005 . 2 . . . . 443 LEU HD23 . 15525 1 689 . 1 1 53 53 LEU HG H 1 1.883 0.010 . 1 . . . . 443 LEU HG . 15525 1 690 . 1 1 53 53 LEU C C 13 177.941 0.000 . 1 . . . . 443 LEU C . 15525 1 691 . 1 1 53 53 LEU CA C 13 56.851 0.013 . 1 . . . . 443 LEU CA . 15525 1 692 . 1 1 53 53 LEU CB C 13 41.871 0.024 . 1 . . . . 443 LEU CB . 15525 1 693 . 1 1 53 53 LEU CD1 C 13 24.885 0.063 . 2 . . . . 443 LEU CD1 . 15525 1 694 . 1 1 53 53 LEU CD2 C 13 24.870 0.029 . 2 . . . . 443 LEU CD2 . 15525 1 695 . 1 1 53 53 LEU CG C 13 30.636 0.005 . 1 . . . . 443 LEU CG . 15525 1 696 . 1 1 53 53 LEU N N 15 118.582 0.017 . 1 . . . . 443 LEU N . 15525 1 697 . 1 1 54 54 ARG H H 1 7.286 0.002 . 1 . . . . 444 ARG H . 15525 1 698 . 1 1 54 54 ARG HA H 1 4.104 0.006 . 1 . . . . 444 ARG HA . 15525 1 699 . 1 1 54 54 ARG HB2 H 1 1.850 0.009 . 2 . . . . 444 ARG HB2 . 15525 1 700 . 1 1 54 54 ARG HB3 H 1 1.765 0.007 . 2 . . . . 444 ARG HB3 . 15525 1 701 . 1 1 54 54 ARG HD2 H 1 3.090 0.002 . 1 . . . . 444 ARG HD2 . 15525 1 702 . 1 1 54 54 ARG HD3 H 1 3.090 0.002 . 1 . . . . 444 ARG HD3 . 15525 1 703 . 1 1 54 54 ARG HG2 H 1 1.596 0.005 . 2 . . . . 444 ARG HG2 . 15525 1 704 . 1 1 54 54 ARG HG3 H 1 1.682 0.009 . 2 . . . . 444 ARG HG3 . 15525 1 705 . 1 1 54 54 ARG C C 13 176.734 0.000 . 1 . . . . 444 ARG C . 15525 1 706 . 1 1 54 54 ARG CA C 13 57.091 0.061 . 1 . . . . 444 ARG CA . 15525 1 707 . 1 1 54 54 ARG CB C 13 30.544 0.058 . 1 . . . . 444 ARG CB . 15525 1 708 . 1 1 54 54 ARG CD C 13 43.362 0.013 . 1 . . . . 444 ARG CD . 15525 1 709 . 1 1 54 54 ARG CG C 13 27.204 0.027 . 1 . . . . 444 ARG CG . 15525 1 710 . 1 1 54 54 ARG N N 15 116.122 0.015 . 1 . . . . 444 ARG N . 15525 1 711 . 1 1 55 55 GLU H H 1 7.501 0.003 . 1 . . . . 445 GLU H . 15525 1 712 . 1 1 55 55 GLU HA H 1 4.175 0.005 . 1 . . . . 445 GLU HA . 15525 1 713 . 1 1 55 55 GLU HB2 H 1 2.023 0.002 . 2 . . . . 445 GLU HB2 . 15525 1 714 . 1 1 55 55 GLU HB3 H 1 1.856 0.005 . 2 . . . . 445 GLU HB3 . 15525 1 715 . 1 1 55 55 GLU HG2 H 1 2.237 0.008 . 2 . . . . 445 GLU HG2 . 15525 1 716 . 1 1 55 55 GLU HG3 H 1 2.155 0.012 . 2 . . . . 445 GLU HG3 . 15525 1 717 . 1 1 55 55 GLU C C 13 175.266 0.000 . 1 . . . . 445 GLU C . 15525 1 718 . 1 1 55 55 GLU CA C 13 56.335 0.040 . 1 . . . . 445 GLU CA . 15525 1 719 . 1 1 55 55 GLU CB C 13 30.373 0.078 . 1 . . . . 445 GLU CB . 15525 1 720 . 1 1 55 55 GLU CG C 13 36.250 0.058 . 1 . . . . 445 GLU CG . 15525 1 721 . 1 1 55 55 GLU N N 15 118.590 0.020 . 1 . . . . 445 GLU N . 15525 1 722 . 1 1 56 56 ALA H H 1 7.524 0.001 . 1 . . . . 446 ALA H . 15525 1 723 . 1 1 56 56 ALA HA H 1 4.001 0.001 . 1 . . . . 446 ALA HA . 15525 1 724 . 1 1 56 56 ALA HB1 H 1 1.238 0.004 . 1 . . . . 446 ALA HB1 . 15525 1 725 . 1 1 56 56 ALA HB2 H 1 1.238 0.004 . 1 . . . . 446 ALA HB2 . 15525 1 726 . 1 1 56 56 ALA HB3 H 1 1.238 0.004 . 1 . . . . 446 ALA HB3 . 15525 1 727 . 1 1 56 56 ALA CA C 13 53.930 0.012 . 1 . . . . 446 ALA CA . 15525 1 728 . 1 1 56 56 ALA CB C 13 20.053 0.016 . 1 . . . . 446 ALA CB . 15525 1 729 . 1 1 56 56 ALA N N 15 129.338 0.007 . 1 . . . . 446 ALA N . 15525 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15525 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'contains the shifts for RalB & GMPPNP' _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 12 '2D 1H-15N HSQC' 4 $13C_15N_RalB . 15525 2 13 '3D HNCA' 4 $13C_15N_RalB . 15525 2 14 '3D HNCO' 4 $13C_15N_RalB . 15525 2 16 '3D HNCACB' 4 $13C_15N_RalB . 15525 2 17 '3D (H)C(CCO)NH' 4 $13C_15N_RalB . 15525 2 18 '3D CBCA(CO)NH' 4 $13C_15N_RalB . 15525 2 19 '3D HCCH-TOCSY' 4 $13C_15N_RalB . 15525 2 20 '3D 1H-15N NOESY' 3 $15N_RalB . 15525 2 21 '3D 1H-13C NOESY' 4 $13C_15N_RalB . 15525 2 22 '2D 1H-13C HSQC' 4 $13C_15N_RalB . 15525 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Analysis . . 15525 2 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 . 2 2 3 3 HIS HD2 H 1 7.029 0.000 . 1 . . . . 0 HIS HD2 . 15525 2 2 . 2 2 3 3 HIS HE1 H 1 7.924 0.000 . 1 . . . . 0 HIS HE1 . 15525 2 3 . 2 2 3 3 HIS CD2 C 13 120.013 0.000 . 1 . . . . 0 HIS CD2 . 15525 2 4 . 2 2 3 3 HIS CE1 C 13 138.399 0.000 . 1 . . . . 0 HIS CE1 . 15525 2 5 . 2 2 5 5 ALA H H 1 8.497 0.000 . 1 . . . . 2 ALA H . 15525 2 6 . 2 2 5 5 ALA HB1 H 1 1.421 0.000 . 1 . . . . 2 ALA HB1 . 15525 2 7 . 2 2 5 5 ALA HB2 H 1 1.421 0.000 . 1 . . . . 2 ALA HB2 . 15525 2 8 . 2 2 5 5 ALA HB3 H 1 1.421 0.000 . 1 . . . . 2 ALA HB3 . 15525 2 9 . 2 2 5 5 ALA CB C 13 19.184 0.000 . 1 . . . . 2 ALA CB . 15525 2 10 . 2 2 5 5 ALA N N 15 126.114 0.000 . 1 . . . . 2 ALA N . 15525 2 11 . 2 2 6 6 ALA H H 1 8.262 0.000 . 1 . . . . 3 ALA H . 15525 2 12 . 2 2 6 6 ALA HB1 H 1 1.310 0.000 . 1 . . . . 3 ALA HB1 . 15525 2 13 . 2 2 6 6 ALA HB2 H 1 1.310 0.000 . 1 . . . . 3 ALA HB2 . 15525 2 14 . 2 2 6 6 ALA HB3 H 1 1.310 0.000 . 1 . . . . 3 ALA HB3 . 15525 2 15 . 2 2 6 6 ALA CB C 13 19.193 0.000 . 1 . . . . 3 ALA CB . 15525 2 16 . 2 2 6 6 ALA N N 15 123.108 0.000 . 1 . . . . 3 ALA N . 15525 2 17 . 2 2 7 7 ASN H H 1 8.295 0.000 . 1 . . . . 4 ASN H . 15525 2 18 . 2 2 7 7 ASN N N 15 117.377 0.000 . 1 . . . . 4 ASN N . 15525 2 19 . 2 2 8 8 LYS H H 1 8.215 0.000 . 1 . . . . 5 LYS H . 15525 2 20 . 2 2 8 8 LYS N N 15 121.482 0.000 . 1 . . . . 5 LYS N . 15525 2 21 . 2 2 9 9 SER H H 1 8.247 0.000 . 1 . . . . 6 SER H . 15525 2 22 . 2 2 9 9 SER C C 13 172.016 0.000 . 1 . . . . 6 SER C . 15525 2 23 . 2 2 9 9 SER N N 15 116.485 0.000 . 1 . . . . 6 SER N . 15525 2 24 . 2 2 10 10 LYS H H 1 8.554 0.000 . 1 . . . . 7 LYS H . 15525 2 25 . 2 2 10 10 LYS C C 13 174.811 0.000 . 1 . . . . 7 LYS C . 15525 2 26 . 2 2 10 10 LYS N N 15 123.407 0.008 . 1 . . . . 7 LYS N . 15525 2 27 . 2 2 11 11 GLY H H 1 8.425 0.004 . 1 . . . . 8 GLY H . 15525 2 28 . 2 2 11 11 GLY HA2 H 1 3.873 0.002 . 1 . . . . 8 GLY HA2 . 15525 2 29 . 2 2 11 11 GLY HA3 H 1 3.873 0.002 . 1 . . . . 8 GLY HA3 . 15525 2 30 . 2 2 11 11 GLY C C 13 171.766 0.000 . 1 . . . . 8 GLY C . 15525 2 31 . 2 2 11 11 GLY CA C 13 45.316 0.015 . 1 . . . . 8 GLY CA . 15525 2 32 . 2 2 11 11 GLY N N 15 109.713 0.018 . 1 . . . . 8 GLY N . 15525 2 33 . 2 2 12 12 GLN H H 1 8.229 0.002 . 1 . . . . 9 GLN H . 15525 2 34 . 2 2 12 12 GLN HA H 1 4.294 0.001 . 1 . . . . 9 GLN HA . 15525 2 35 . 2 2 12 12 GLN HB2 H 1 1.916 0.006 . 2 . . . . 9 GLN HB2 . 15525 2 36 . 2 2 12 12 GLN HB3 H 1 2.039 0.001 . 2 . . . . 9 GLN HB3 . 15525 2 37 . 2 2 12 12 GLN HE21 H 1 6.788 0.004 . 1 . . . . 9 GLN HE21 . 15525 2 38 . 2 2 12 12 GLN HE22 H 1 7.466 0.007 . 1 . . . . 9 GLN HE22 . 15525 2 39 . 2 2 12 12 GLN HG2 H 1 2.270 0.003 . 1 . . . . 9 GLN HG2 . 15525 2 40 . 2 2 12 12 GLN HG3 H 1 2.270 0.003 . 1 . . . . 9 GLN HG3 . 15525 2 41 . 2 2 12 12 GLN C C 13 173.954 0.000 . 1 . . . . 9 GLN C . 15525 2 42 . 2 2 12 12 GLN CA C 13 56.094 0.021 . 1 . . . . 9 GLN CA . 15525 2 43 . 2 2 12 12 GLN CB C 13 29.565 0.001 . 1 . . . . 9 GLN CB . 15525 2 44 . 2 2 12 12 GLN CG C 13 33.800 0.039 . 1 . . . . 9 GLN CG . 15525 2 45 . 2 2 12 12 GLN N N 15 119.740 0.019 . 1 . . . . 9 GLN N . 15525 2 46 . 2 2 12 12 GLN NE2 N 15 112.129 0.049 . 1 . . . . 9 GLN NE2 . 15525 2 47 . 2 2 13 13 SER H H 1 8.403 0.004 . 1 . . . . 10 SER H . 15525 2 48 . 2 2 13 13 SER HA H 1 4.342 0.004 . 1 . . . . 10 SER HA . 15525 2 49 . 2 2 13 13 SER HB2 H 1 3.755 0.015 . 2 . . . . 10 SER HB2 . 15525 2 50 . 2 2 13 13 SER HB3 H 1 3.800 0.003 . 2 . . . . 10 SER HB3 . 15525 2 51 . 2 2 13 13 SER C C 13 172.385 0.000 . 1 . . . . 10 SER C . 15525 2 52 . 2 2 13 13 SER CA C 13 58.710 0.068 . 1 . . . . 10 SER CA . 15525 2 53 . 2 2 13 13 SER CB C 13 63.807 0.068 . 1 . . . . 10 SER CB . 15525 2 54 . 2 2 13 13 SER N N 15 117.303 0.043 . 1 . . . . 10 SER N . 15525 2 55 . 2 2 14 14 SER H H 1 8.515 0.005 . 1 . . . . 11 SER H . 15525 2 56 . 2 2 14 14 SER HA H 1 4.442 0.010 . 1 . . . . 11 SER HA . 15525 2 57 . 2 2 14 14 SER HB2 H 1 3.804 0.005 . 2 . . . . 11 SER HB2 . 15525 2 58 . 2 2 14 14 SER HB3 H 1 3.752 0.015 . 2 . . . . 11 SER HB3 . 15525 2 59 . 2 2 14 14 SER C C 13 172.832 0.000 . 1 . . . . 11 SER C . 15525 2 60 . 2 2 14 14 SER CA C 13 58.247 0.104 . 1 . . . . 11 SER CA . 15525 2 61 . 2 2 14 14 SER CB C 13 63.862 0.059 . 1 . . . . 11 SER CB . 15525 2 62 . 2 2 14 14 SER N N 15 117.372 0.017 . 1 . . . . 11 SER N . 15525 2 63 . 2 2 15 15 LEU H H 1 8.218 0.005 . 1 . . . . 12 LEU H . 15525 2 64 . 2 2 15 15 LEU HA H 1 4.080 0.008 . 1 . . . . 12 LEU HA . 15525 2 65 . 2 2 15 15 LEU HB2 H 1 1.577 0.006 . 2 . . . . 12 LEU HB2 . 15525 2 66 . 2 2 15 15 LEU HB3 H 1 1.524 0.015 . 2 . . . . 12 LEU HB3 . 15525 2 67 . 2 2 15 15 LEU HD11 H 1 0.833 0.005 . 2 . . . . 12 LEU HD11 . 15525 2 68 . 2 2 15 15 LEU HD12 H 1 0.833 0.005 . 2 . . . . 12 LEU HD12 . 15525 2 69 . 2 2 15 15 LEU HD13 H 1 0.833 0.005 . 2 . . . . 12 LEU HD13 . 15525 2 70 . 2 2 15 15 LEU HD21 H 1 0.799 0.007 . 2 . . . . 12 LEU HD21 . 15525 2 71 . 2 2 15 15 LEU HD22 H 1 0.799 0.007 . 2 . . . . 12 LEU HD22 . 15525 2 72 . 2 2 15 15 LEU HD23 H 1 0.799 0.007 . 2 . . . . 12 LEU HD23 . 15525 2 73 . 2 2 15 15 LEU HG H 1 1.634 0.005 . 1 . . . . 12 LEU HG . 15525 2 74 . 2 2 15 15 LEU C C 13 173.747 0.000 . 1 . . . . 12 LEU C . 15525 2 75 . 2 2 15 15 LEU CA C 13 55.667 0.027 . 1 . . . . 12 LEU CA . 15525 2 76 . 2 2 15 15 LEU CB C 13 41.859 0.101 . 1 . . . . 12 LEU CB . 15525 2 77 . 2 2 15 15 LEU CD1 C 13 25.293 0.031 . 2 . . . . 12 LEU CD1 . 15525 2 78 . 2 2 15 15 LEU CD2 C 13 24.250 0.025 . 2 . . . . 12 LEU CD2 . 15525 2 79 . 2 2 15 15 LEU CG C 13 27.284 0.038 . 1 . . . . 12 LEU CG . 15525 2 80 . 2 2 15 15 LEU N N 15 123.753 0.082 . 1 . . . . 12 LEU N . 15525 2 81 . 2 2 16 16 ALA H H 1 8.015 0.009 . 1 . . . . 13 ALA H . 15525 2 82 . 2 2 16 16 ALA HA H 1 4.181 0.008 . 1 . . . . 13 ALA HA . 15525 2 83 . 2 2 16 16 ALA HB1 H 1 1.213 0.005 . 1 . . . . 13 ALA HB1 . 15525 2 84 . 2 2 16 16 ALA HB2 H 1 1.213 0.005 . 1 . . . . 13 ALA HB2 . 15525 2 85 . 2 2 16 16 ALA HB3 H 1 1.213 0.005 . 1 . . . . 13 ALA HB3 . 15525 2 86 . 2 2 16 16 ALA C C 13 173.265 0.000 . 1 . . . . 13 ALA C . 15525 2 87 . 2 2 16 16 ALA CA C 13 51.640 0.082 . 1 . . . . 13 ALA CA . 15525 2 88 . 2 2 16 16 ALA CB C 13 19.485 0.023 . 1 . . . . 13 ALA CB . 15525 2 89 . 2 2 16 16 ALA N N 15 120.457 0.062 . 1 . . . . 13 ALA N . 15525 2 90 . 2 2 17 17 LEU H H 1 6.867 0.018 . 1 . . . . 14 LEU H . 15525 2 91 . 2 2 17 17 LEU HA H 1 4.972 0.009 . 1 . . . . 14 LEU HA . 15525 2 92 . 2 2 17 17 LEU HB2 H 1 1.324 0.010 . 2 . . . . 14 LEU HB2 . 15525 2 93 . 2 2 17 17 LEU HB3 H 1 1.094 0.019 . 2 . . . . 14 LEU HB3 . 15525 2 94 . 2 2 17 17 LEU HD11 H 1 0.551 0.004 . 2 . . . . 14 LEU HD11 . 15525 2 95 . 2 2 17 17 LEU HD12 H 1 0.551 0.004 . 2 . . . . 14 LEU HD12 . 15525 2 96 . 2 2 17 17 LEU HD13 H 1 0.551 0.004 . 2 . . . . 14 LEU HD13 . 15525 2 97 . 2 2 17 17 LEU HD21 H 1 0.531 0.007 . 2 . . . . 14 LEU HD21 . 15525 2 98 . 2 2 17 17 LEU HD22 H 1 0.531 0.007 . 2 . . . . 14 LEU HD22 . 15525 2 99 . 2 2 17 17 LEU HD23 H 1 0.531 0.007 . 2 . . . . 14 LEU HD23 . 15525 2 100 . 2 2 17 17 LEU HG H 1 0.949 0.005 . 1 . . . . 14 LEU HG . 15525 2 101 . 2 2 17 17 LEU C C 13 172.086 0.000 . 1 . . . . 14 LEU C . 15525 2 102 . 2 2 17 17 LEU CA C 13 53.687 0.124 . 1 . . . . 14 LEU CA . 15525 2 103 . 2 2 17 17 LEU CB C 13 44.723 0.033 . 1 . . . . 14 LEU CB . 15525 2 104 . 2 2 17 17 LEU CD1 C 13 25.497 0.055 . 2 . . . . 14 LEU CD1 . 15525 2 105 . 2 2 17 17 LEU CD2 C 13 23.424 0.089 . 2 . . . . 14 LEU CD2 . 15525 2 106 . 2 2 17 17 LEU CG C 13 27.945 0.041 . 1 . . . . 14 LEU CG . 15525 2 107 . 2 2 17 17 LEU N N 15 122.673 0.031 . 1 . . . . 14 LEU N . 15525 2 108 . 2 2 18 18 HIS H H 1 8.366 0.006 . 1 . . . . 15 HIS H . 15525 2 109 . 2 2 18 18 HIS HA H 1 5.341 0.006 . 1 . . . . 15 HIS HA . 15525 2 110 . 2 2 18 18 HIS HB2 H 1 2.717 0.010 . 2 . . . . 15 HIS HB2 . 15525 2 111 . 2 2 18 18 HIS HB3 H 1 2.655 0.011 . 2 . . . . 15 HIS HB3 . 15525 2 112 . 2 2 18 18 HIS HD2 H 1 6.575 0.009 . 1 . . . . 15 HIS HD2 . 15525 2 113 . 2 2 18 18 HIS HE1 H 1 7.278 0.008 . 1 . . . . 15 HIS HE1 . 15525 2 114 . 2 2 18 18 HIS C C 13 172.169 0.000 . 1 . . . . 15 HIS C . 15525 2 115 . 2 2 18 18 HIS CA C 13 53.457 0.099 . 1 . . . . 15 HIS CA . 15525 2 116 . 2 2 18 18 HIS CB C 13 33.553 0.080 . 1 . . . . 15 HIS CB . 15525 2 117 . 2 2 18 18 HIS CD2 C 13 117.093 0.100 . 1 . . . . 15 HIS CD2 . 15525 2 118 . 2 2 18 18 HIS CE1 C 13 137.765 0.064 . 1 . . . . 15 HIS CE1 . 15525 2 119 . 2 2 18 18 HIS N N 15 124.934 0.038 . 1 . . . . 15 HIS N . 15525 2 120 . 2 2 19 19 LYS H H 1 8.421 0.003 . 1 . . . . 16 LYS H . 15525 2 121 . 2 2 19 19 LYS HA H 1 4.751 0.019 . 1 . . . . 16 LYS HA . 15525 2 122 . 2 2 19 19 LYS HB2 H 1 1.330 0.011 . 2 . . . . 16 LYS HB2 . 15525 2 123 . 2 2 19 19 LYS HB3 H 1 1.586 0.001 . 2 . . . . 16 LYS HB3 . 15525 2 124 . 2 2 19 19 LYS HD2 H 1 0.585 0.009 . 2 . . . . 16 LYS HD2 . 15525 2 125 . 2 2 19 19 LYS HD3 H 1 0.844 0.007 . 2 . . . . 16 LYS HD3 . 15525 2 126 . 2 2 19 19 LYS HE2 H 1 2.096 0.006 . 2 . . . . 16 LYS HE2 . 15525 2 127 . 2 2 19 19 LYS HE3 H 1 2.278 0.004 . 2 . . . . 16 LYS HE3 . 15525 2 128 . 2 2 19 19 LYS HG2 H 1 0.551 0.004 . 2 . . . . 16 LYS HG2 . 15525 2 129 . 2 2 19 19 LYS HG3 H 1 0.834 0.005 . 2 . . . . 16 LYS HG3 . 15525 2 130 . 2 2 19 19 LYS C C 13 173.090 0.008 . 1 . . . . 16 LYS C . 15525 2 131 . 2 2 19 19 LYS CB C 13 33.668 0.109 . 1 . . . . 16 LYS CB . 15525 2 132 . 2 2 19 19 LYS CD C 13 29.342 0.052 . 1 . . . . 16 LYS CD . 15525 2 133 . 2 2 19 19 LYS CE C 13 41.571 0.046 . 1 . . . . 16 LYS CE . 15525 2 134 . 2 2 19 19 LYS CG C 13 25.427 0.070 . 1 . . . . 16 LYS CG . 15525 2 135 . 2 2 19 19 LYS N N 15 122.871 0.077 . 1 . . . . 16 LYS N . 15525 2 136 . 2 2 20 20 VAL H H 1 9.666 0.010 . 1 . . . . 17 VAL H . 15525 2 137 . 2 2 20 20 VAL HA H 1 4.506 0.013 . 1 . . . . 17 VAL HA . 15525 2 138 . 2 2 20 20 VAL HB H 1 1.933 0.009 . 1 . . . . 17 VAL HB . 15525 2 139 . 2 2 20 20 VAL HG11 H 1 0.655 0.008 . 2 . . . . 17 VAL HG11 . 15525 2 140 . 2 2 20 20 VAL HG12 H 1 0.655 0.008 . 2 . . . . 17 VAL HG12 . 15525 2 141 . 2 2 20 20 VAL HG13 H 1 0.655 0.008 . 2 . . . . 17 VAL HG13 . 15525 2 142 . 2 2 20 20 VAL HG21 H 1 0.716 0.008 . 2 . . . . 17 VAL HG21 . 15525 2 143 . 2 2 20 20 VAL HG22 H 1 0.716 0.008 . 2 . . . . 17 VAL HG22 . 15525 2 144 . 2 2 20 20 VAL HG23 H 1 0.716 0.008 . 2 . . . . 17 VAL HG23 . 15525 2 145 . 2 2 20 20 VAL C C 13 171.270 0.000 . 1 . . . . 17 VAL C . 15525 2 146 . 2 2 20 20 VAL CA C 13 61.170 0.033 . 1 . . . . 17 VAL CA . 15525 2 147 . 2 2 20 20 VAL CB C 13 35.068 0.134 . 1 . . . . 17 VAL CB . 15525 2 148 . 2 2 20 20 VAL CG1 C 13 21.283 0.058 . 2 . . . . 17 VAL CG1 . 15525 2 149 . 2 2 20 20 VAL CG2 C 13 21.346 0.027 . 2 . . . . 17 VAL CG2 . 15525 2 150 . 2 2 20 20 VAL N N 15 126.887 0.037 . 1 . . . . 17 VAL N . 15525 2 151 . 2 2 21 21 ILE H H 1 7.983 0.004 . 1 . . . . 18 ILE H . 15525 2 152 . 2 2 21 21 ILE HA H 1 4.977 0.006 . 1 . . . . 18 ILE HA . 15525 2 153 . 2 2 21 21 ILE HB H 1 1.575 0.006 . 1 . . . . 18 ILE HB . 15525 2 154 . 2 2 21 21 ILE HD11 H 1 0.994 0.008 . 1 . . . . 18 ILE HD11 . 15525 2 155 . 2 2 21 21 ILE HD12 H 1 0.994 0.008 . 1 . . . . 18 ILE HD12 . 15525 2 156 . 2 2 21 21 ILE HD13 H 1 0.994 0.008 . 1 . . . . 18 ILE HD13 . 15525 2 157 . 2 2 21 21 ILE HG12 H 1 1.178 0.000 . 2 . . . . 18 ILE HG12 . 15525 2 158 . 2 2 21 21 ILE HG13 H 1 1.427 0.005 . 2 . . . . 18 ILE HG13 . 15525 2 159 . 2 2 21 21 ILE HG21 H 1 0.923 0.007 . 1 . . . . 18 ILE HG21 . 15525 2 160 . 2 2 21 21 ILE HG22 H 1 0.923 0.007 . 1 . . . . 18 ILE HG22 . 15525 2 161 . 2 2 21 21 ILE HG23 H 1 0.923 0.007 . 1 . . . . 18 ILE HG23 . 15525 2 162 . 2 2 21 21 ILE C C 13 172.695 0.000 . 1 . . . . 18 ILE C . 15525 2 163 . 2 2 21 21 ILE CA C 13 59.245 0.143 . 1 . . . . 18 ILE CA . 15525 2 164 . 2 2 21 21 ILE CB C 13 38.780 0.063 . 1 . . . . 18 ILE CB . 15525 2 165 . 2 2 21 21 ILE CD1 C 13 15.553 0.045 . 1 . . . . 18 ILE CD1 . 15525 2 166 . 2 2 21 21 ILE CG1 C 13 27.943 0.039 . 1 . . . . 18 ILE CG1 . 15525 2 167 . 2 2 21 21 ILE CG2 C 13 17.850 0.041 . 1 . . . . 18 ILE CG2 . 15525 2 168 . 2 2 21 21 ILE N N 15 123.798 0.056 . 1 . . . . 18 ILE N . 15525 2 169 . 2 2 22 22 MET H H 1 8.420 0.005 . 1 . . . . 19 MET H . 15525 2 170 . 2 2 22 22 MET HA H 1 5.052 0.017 . 1 . . . . 19 MET HA . 15525 2 171 . 2 2 22 22 MET HB2 H 1 1.700 0.000 . 2 . . . . 19 MET HB2 . 15525 2 172 . 2 2 22 22 MET HB3 H 1 2.379 0.007 . 2 . . . . 19 MET HB3 . 15525 2 173 . 2 2 22 22 MET HE1 H 1 1.808 0.008 . 1 . . . . 19 MET HE1 . 15525 2 174 . 2 2 22 22 MET HE2 H 1 1.808 0.008 . 1 . . . . 19 MET HE2 . 15525 2 175 . 2 2 22 22 MET HE3 H 1 1.808 0.008 . 1 . . . . 19 MET HE3 . 15525 2 176 . 2 2 22 22 MET C C 13 173.259 0.000 . 1 . . . . 19 MET C . 15525 2 177 . 2 2 22 22 MET CA C 13 52.785 0.088 . 1 . . . . 19 MET CA . 15525 2 178 . 2 2 22 22 MET CB C 13 31.292 0.089 . 1 . . . . 19 MET CB . 15525 2 179 . 2 2 22 22 MET CE C 13 16.020 0.022 . 1 . . . . 19 MET CE . 15525 2 180 . 2 2 22 22 MET N N 15 123.260 0.055 . 1 . . . . 19 MET N . 15525 2 181 . 2 2 23 23 VAL H H 1 9.031 0.005 . 1 . . . . 20 VAL H . 15525 2 182 . 2 2 23 23 VAL HA H 1 4.299 0.009 . 1 . . . . 20 VAL HA . 15525 2 183 . 2 2 23 23 VAL HB H 1 1.813 0.007 . 1 . . . . 20 VAL HB . 15525 2 184 . 2 2 23 23 VAL HG11 H 1 0.727 0.013 . 2 . . . . 20 VAL HG11 . 15525 2 185 . 2 2 23 23 VAL HG12 H 1 0.727 0.013 . 2 . . . . 20 VAL HG12 . 15525 2 186 . 2 2 23 23 VAL HG13 H 1 0.727 0.013 . 2 . . . . 20 VAL HG13 . 15525 2 187 . 2 2 23 23 VAL HG21 H 1 0.829 0.006 . 2 . . . . 20 VAL HG21 . 15525 2 188 . 2 2 23 23 VAL HG22 H 1 0.829 0.006 . 2 . . . . 20 VAL HG22 . 15525 2 189 . 2 2 23 23 VAL HG23 H 1 0.829 0.006 . 2 . . . . 20 VAL HG23 . 15525 2 190 . 2 2 23 23 VAL CA C 13 59.995 0.115 . 1 . . . . 20 VAL CA . 15525 2 191 . 2 2 23 23 VAL CB C 13 35.257 0.171 . 1 . . . . 20 VAL CB . 15525 2 192 . 2 2 23 23 VAL CG1 C 13 22.702 0.126 . 2 . . . . 20 VAL CG1 . 15525 2 193 . 2 2 23 23 VAL CG2 C 13 23.148 0.039 . 2 . . . . 20 VAL CG2 . 15525 2 194 . 2 2 23 23 VAL N N 15 122.730 0.040 . 1 . . . . 20 VAL N . 15525 2 195 . 2 2 24 24 GLY H H 1 7.743 0.008 . 1 . . . . 21 GLY H . 15525 2 196 . 2 2 24 24 GLY N N 15 112.261 0.029 . 1 . . . . 21 GLY N . 15525 2 197 . 2 2 25 25 SER H H 1 9.408 0.006 . 1 . . . . 22 SER H . 15525 2 198 . 2 2 25 25 SER HA H 1 4.389 0.022 . 1 . . . . 22 SER HA . 15525 2 199 . 2 2 25 25 SER HB2 H 1 3.977 0.007 . 1 . . . . 22 SER HB2 . 15525 2 200 . 2 2 25 25 SER HB3 H 1 3.977 0.007 . 1 . . . . 22 SER HB3 . 15525 2 201 . 2 2 25 25 SER C C 13 171.692 0.000 . 1 . . . . 22 SER C . 15525 2 202 . 2 2 25 25 SER CB C 13 63.884 0.071 . 1 . . . . 22 SER CB . 15525 2 203 . 2 2 25 25 SER N N 15 115.754 0.076 . 1 . . . . 22 SER N . 15525 2 204 . 2 2 26 26 GLY H H 1 8.448 0.003 . 1 . . . . 23 GLY H . 15525 2 205 . 2 2 26 26 GLY HA2 H 1 3.649 0.011 . 2 . . . . 23 GLY HA2 . 15525 2 206 . 2 2 26 26 GLY HA3 H 1 4.736 0.004 . 2 . . . . 23 GLY HA3 . 15525 2 207 . 2 2 26 26 GLY C C 13 174.117 0.000 . 1 . . . . 23 GLY C . 15525 2 208 . 2 2 26 26 GLY CA C 13 46.729 0.034 . 1 . . . . 23 GLY CA . 15525 2 209 . 2 2 26 26 GLY N N 15 106.659 0.069 . 1 . . . . 23 GLY N . 15525 2 210 . 2 2 27 27 GLY H H 1 9.119 0.003 . 1 . . . . 24 GLY H . 15525 2 211 . 2 2 27 27 GLY HA2 H 1 3.931 0.002 . 2 . . . . 24 GLY HA2 . 15525 2 212 . 2 2 27 27 GLY HA3 H 1 3.047 0.000 . 2 . . . . 24 GLY HA3 . 15525 2 213 . 2 2 27 27 GLY C C 13 171.308 0.000 . 1 . . . . 24 GLY C . 15525 2 214 . 2 2 27 27 GLY CA C 13 45.994 0.158 . 1 . . . . 24 GLY CA . 15525 2 215 . 2 2 27 27 GLY N N 15 113.413 0.015 . 1 . . . . 24 GLY N . 15525 2 216 . 2 2 28 28 VAL H H 1 7.177 0.007 . 1 . . . . 25 VAL H . 15525 2 217 . 2 2 28 28 VAL HA H 1 3.702 0.006 . 1 . . . . 25 VAL HA . 15525 2 218 . 2 2 28 28 VAL HB H 1 1.849 0.004 . 1 . . . . 25 VAL HB . 15525 2 219 . 2 2 28 28 VAL HG11 H 1 0.835 0.012 . 2 . . . . 25 VAL HG11 . 15525 2 220 . 2 2 28 28 VAL HG12 H 1 0.835 0.012 . 2 . . . . 25 VAL HG12 . 15525 2 221 . 2 2 28 28 VAL HG13 H 1 0.835 0.012 . 2 . . . . 25 VAL HG13 . 15525 2 222 . 2 2 28 28 VAL HG21 H 1 0.934 0.012 . 2 . . . . 25 VAL HG21 . 15525 2 223 . 2 2 28 28 VAL HG22 H 1 0.934 0.012 . 2 . . . . 25 VAL HG22 . 15525 2 224 . 2 2 28 28 VAL HG23 H 1 0.934 0.012 . 2 . . . . 25 VAL HG23 . 15525 2 225 . 2 2 28 28 VAL C C 13 172.050 0.000 . 1 . . . . 25 VAL C . 15525 2 226 . 2 2 28 28 VAL CA C 13 63.041 0.003 . 1 . . . . 25 VAL CA . 15525 2 227 . 2 2 28 28 VAL CB C 13 31.691 0.064 . 1 . . . . 25 VAL CB . 15525 2 228 . 2 2 28 28 VAL CG1 C 13 17.436 0.076 . 2 . . . . 25 VAL CG1 . 15525 2 229 . 2 2 28 28 VAL CG2 C 13 22.383 0.053 . 2 . . . . 25 VAL CG2 . 15525 2 230 . 2 2 28 28 VAL N N 15 111.692 0.033 . 1 . . . . 25 VAL N . 15525 2 231 . 2 2 29 29 GLY H H 1 8.234 0.004 . 1 . . . . 26 GLY H . 15525 2 232 . 2 2 29 29 GLY HA2 H 1 4.281 0.009 . 2 . . . . 26 GLY HA2 . 15525 2 233 . 2 2 29 29 GLY HA3 H 1 4.647 0.012 . 2 . . . . 26 GLY HA3 . 15525 2 234 . 2 2 29 29 GLY C C 13 171.564 0.000 . 1 . . . . 26 GLY C . 15525 2 235 . 2 2 29 29 GLY CA C 13 45.484 0.060 . 1 . . . . 26 GLY CA . 15525 2 236 . 2 2 29 29 GLY N N 15 107.107 0.076 . 1 . . . . 26 GLY N . 15525 2 237 . 2 2 30 30 LYS H H 1 8.980 0.006 . 1 . . . . 27 LYS H . 15525 2 238 . 2 2 30 30 LYS HA H 1 3.568 0.004 . 1 . . . . 27 LYS HA . 15525 2 239 . 2 2 30 30 LYS HB2 H 1 1.620 0.003 . 2 . . . . 27 LYS HB2 . 15525 2 240 . 2 2 30 30 LYS HB3 H 1 2.376 0.015 . 2 . . . . 27 LYS HB3 . 15525 2 241 . 2 2 30 30 LYS C C 13 177.153 0.000 . 1 . . . . 27 LYS C . 15525 2 242 . 2 2 30 30 LYS CA C 13 61.218 0.055 . 1 . . . . 27 LYS CA . 15525 2 243 . 2 2 30 30 LYS CB C 13 30.273 0.014 . 1 . . . . 27 LYS CB . 15525 2 244 . 2 2 30 30 LYS N N 15 123.037 0.053 . 1 . . . . 27 LYS N . 15525 2 245 . 2 2 31 31 SER H H 1 9.445 0.006 . 1 . . . . 28 SER H . 15525 2 246 . 2 2 31 31 SER HA H 1 4.121 0.012 . 1 . . . . 28 SER HA . 15525 2 247 . 2 2 31 31 SER HB2 H 1 3.770 0.003 . 1 . . . . 28 SER HB2 . 15525 2 248 . 2 2 31 31 SER HB3 H 1 3.770 0.003 . 1 . . . . 28 SER HB3 . 15525 2 249 . 2 2 31 31 SER HG H 1 4.154 0.007 . 1 . . . . 28 SER HG . 15525 2 250 . 2 2 31 31 SER C C 13 173.214 0.000 . 1 . . . . 28 SER C . 15525 2 251 . 2 2 31 31 SER CA C 13 61.319 0.058 . 1 . . . . 28 SER CA . 15525 2 252 . 2 2 31 31 SER N N 15 120.419 0.057 . 1 . . . . 28 SER N . 15525 2 253 . 2 2 32 32 ALA H H 1 9.409 0.006 . 1 . . . . 29 ALA H . 15525 2 254 . 2 2 32 32 ALA HA H 1 4.109 0.010 . 1 . . . . 29 ALA HA . 15525 2 255 . 2 2 32 32 ALA HB1 H 1 1.355 0.006 . 1 . . . . 29 ALA HB1 . 15525 2 256 . 2 2 32 32 ALA HB2 H 1 1.355 0.006 . 1 . . . . 29 ALA HB2 . 15525 2 257 . 2 2 32 32 ALA HB3 H 1 1.355 0.006 . 1 . . . . 29 ALA HB3 . 15525 2 258 . 2 2 32 32 ALA C C 13 179.625 0.000 . 1 . . . . 29 ALA C . 15525 2 259 . 2 2 32 32 ALA CA C 13 54.430 0.020 . 1 . . . . 29 ALA CA . 15525 2 260 . 2 2 32 32 ALA CB C 13 18.768 0.067 . 1 . . . . 29 ALA CB . 15525 2 261 . 2 2 32 32 ALA N N 15 126.089 0.048 . 1 . . . . 29 ALA N . 15525 2 262 . 2 2 33 33 LEU H H 1 8.662 0.005 . 1 . . . . 30 LEU H . 15525 2 263 . 2 2 33 33 LEU HA H 1 3.856 0.006 . 1 . . . . 30 LEU HA . 15525 2 264 . 2 2 33 33 LEU HB2 H 1 1.140 0.010 . 2 . . . . 30 LEU HB2 . 15525 2 265 . 2 2 33 33 LEU HB3 H 1 2.121 0.010 . 2 . . . . 30 LEU HB3 . 15525 2 266 . 2 2 33 33 LEU HD11 H 1 0.570 0.007 . 2 . . . . 30 LEU HD11 . 15525 2 267 . 2 2 33 33 LEU HD12 H 1 0.570 0.007 . 2 . . . . 30 LEU HD12 . 15525 2 268 . 2 2 33 33 LEU HD13 H 1 0.570 0.007 . 2 . . . . 30 LEU HD13 . 15525 2 269 . 2 2 33 33 LEU HD21 H 1 0.761 0.007 . 2 . . . . 30 LEU HD21 . 15525 2 270 . 2 2 33 33 LEU HD22 H 1 0.761 0.007 . 2 . . . . 30 LEU HD22 . 15525 2 271 . 2 2 33 33 LEU HD23 H 1 0.761 0.007 . 2 . . . . 30 LEU HD23 . 15525 2 272 . 2 2 33 33 LEU HG H 1 1.843 0.006 . 1 . . . . 30 LEU HG . 15525 2 273 . 2 2 33 33 LEU C C 13 175.591 0.000 . 1 . . . . 30 LEU C . 15525 2 274 . 2 2 33 33 LEU CA C 13 58.981 0.115 . 1 . . . . 30 LEU CA . 15525 2 275 . 2 2 33 33 LEU CB C 13 43.579 0.112 . 1 . . . . 30 LEU CB . 15525 2 276 . 2 2 33 33 LEU CD1 C 13 26.657 0.058 . 2 . . . . 30 LEU CD1 . 15525 2 277 . 2 2 33 33 LEU CD2 C 13 24.288 0.036 . 2 . . . . 30 LEU CD2 . 15525 2 278 . 2 2 33 33 LEU CG C 13 27.404 0.076 . 1 . . . . 30 LEU CG . 15525 2 279 . 2 2 33 33 LEU N N 15 119.273 0.050 . 1 . . . . 30 LEU N . 15525 2 280 . 2 2 34 34 THR H H 1 7.555 0.005 . 1 . . . . 31 THR H . 15525 2 281 . 2 2 34 34 THR HA H 1 4.167 0.008 . 1 . . . . 31 THR HA . 15525 2 282 . 2 2 34 34 THR HB H 1 3.383 0.005 . 1 . . . . 31 THR HB . 15525 2 283 . 2 2 34 34 THR HG1 H 1 4.342 0.009 . 1 . . . . 31 THR HG1 . 15525 2 284 . 2 2 34 34 THR HG21 H 1 0.537 0.004 . 1 . . . . 31 THR HG21 . 15525 2 285 . 2 2 34 34 THR HG22 H 1 0.537 0.004 . 1 . . . . 31 THR HG22 . 15525 2 286 . 2 2 34 34 THR HG23 H 1 0.537 0.004 . 1 . . . . 31 THR HG23 . 15525 2 287 . 2 2 34 34 THR C C 13 173.737 0.000 . 1 . . . . 31 THR C . 15525 2 288 . 2 2 34 34 THR CA C 13 68.052 0.051 . 1 . . . . 31 THR CA . 15525 2 289 . 2 2 34 34 THR CB C 13 68.431 0.031 . 1 . . . . 31 THR CB . 15525 2 290 . 2 2 34 34 THR CG2 C 13 22.930 0.054 . 1 . . . . 31 THR CG2 . 15525 2 291 . 2 2 34 34 THR N N 15 116.288 0.070 . 1 . . . . 31 THR N . 15525 2 292 . 2 2 35 35 LEU H H 1 9.067 0.004 . 1 . . . . 32 LEU H . 15525 2 293 . 2 2 35 35 LEU HA H 1 3.654 0.013 . 1 . . . . 32 LEU HA . 15525 2 294 . 2 2 35 35 LEU HB2 H 1 1.901 0.007 . 2 . . . . 32 LEU HB2 . 15525 2 295 . 2 2 35 35 LEU HB3 H 1 1.430 0.012 . 2 . . . . 32 LEU HB3 . 15525 2 296 . 2 2 35 35 LEU HD11 H 1 0.714 0.004 . 2 . . . . 32 LEU HD11 . 15525 2 297 . 2 2 35 35 LEU HD12 H 1 0.714 0.004 . 2 . . . . 32 LEU HD12 . 15525 2 298 . 2 2 35 35 LEU HD13 H 1 0.714 0.004 . 2 . . . . 32 LEU HD13 . 15525 2 299 . 2 2 35 35 LEU HD21 H 1 0.748 0.005 . 2 . . . . 32 LEU HD21 . 15525 2 300 . 2 2 35 35 LEU HD22 H 1 0.748 0.005 . 2 . . . . 32 LEU HD22 . 15525 2 301 . 2 2 35 35 LEU HD23 H 1 0.748 0.005 . 2 . . . . 32 LEU HD23 . 15525 2 302 . 2 2 35 35 LEU HG H 1 1.622 0.005 . 1 . . . . 32 LEU HG . 15525 2 303 . 2 2 35 35 LEU C C 13 178.363 0.000 . 1 . . . . 32 LEU C . 15525 2 304 . 2 2 35 35 LEU CA C 13 58.273 0.049 . 1 . . . . 32 LEU CA . 15525 2 305 . 2 2 35 35 LEU CB C 13 40.791 0.043 . 1 . . . . 32 LEU CB . 15525 2 306 . 2 2 35 35 LEU CD1 C 13 25.365 0.050 . 2 . . . . 32 LEU CD1 . 15525 2 307 . 2 2 35 35 LEU CD2 C 13 22.259 0.040 . 2 . . . . 32 LEU CD2 . 15525 2 308 . 2 2 35 35 LEU CG C 13 27.320 0.000 . 1 . . . . 32 LEU CG . 15525 2 309 . 2 2 35 35 LEU N N 15 120.839 0.081 . 1 . . . . 32 LEU N . 15525 2 310 . 2 2 36 36 GLN H H 1 7.840 0.007 . 1 . . . . 33 GLN H . 15525 2 311 . 2 2 36 36 GLN HA H 1 4.501 0.012 . 1 . . . . 33 GLN HA . 15525 2 312 . 2 2 36 36 GLN HB2 H 1 1.928 0.005 . 2 . . . . 33 GLN HB2 . 15525 2 313 . 2 2 36 36 GLN HB3 H 1 1.967 0.000 . 2 . . . . 33 GLN HB3 . 15525 2 314 . 2 2 36 36 GLN HE21 H 1 6.412 0.010 . 1 . . . . 33 GLN HE21 . 15525 2 315 . 2 2 36 36 GLN HE22 H 1 7.707 0.005 . 1 . . . . 33 GLN HE22 . 15525 2 316 . 2 2 36 36 GLN HG2 H 1 2.309 0.000 . 2 . . . . 33 GLN HG2 . 15525 2 317 . 2 2 36 36 GLN HG3 H 1 2.650 0.015 . 2 . . . . 33 GLN HG3 . 15525 2 318 . 2 2 36 36 GLN C C 13 176.304 0.000 . 1 . . . . 33 GLN C . 15525 2 319 . 2 2 36 36 GLN CB C 13 30.563 0.050 . 1 . . . . 33 GLN CB . 15525 2 320 . 2 2 36 36 GLN N N 15 121.364 0.053 . 1 . . . . 33 GLN N . 15525 2 321 . 2 2 36 36 GLN NE2 N 15 107.375 0.058 . 1 . . . . 33 GLN NE2 . 15525 2 322 . 2 2 37 37 PHE H H 1 7.924 0.006 . 1 . . . . 34 PHE H . 15525 2 323 . 2 2 37 37 PHE HA H 1 3.767 0.009 . 1 . . . . 34 PHE HA . 15525 2 324 . 2 2 37 37 PHE HB2 H 1 2.594 0.007 . 2 . . . . 34 PHE HB2 . 15525 2 325 . 2 2 37 37 PHE HB3 H 1 2.227 0.013 . 2 . . . . 34 PHE HB3 . 15525 2 326 . 2 2 37 37 PHE HD1 H 1 6.461 0.013 . 3 . . . . 34 PHE HD1 . 15525 2 327 . 2 2 37 37 PHE HD2 H 1 6.461 0.013 . 3 . . . . 34 PHE HD2 . 15525 2 328 . 2 2 37 37 PHE HE1 H 1 6.871 0.007 . 3 . . . . 34 PHE HE1 . 15525 2 329 . 2 2 37 37 PHE HE2 H 1 6.871 0.007 . 3 . . . . 34 PHE HE2 . 15525 2 330 . 2 2 37 37 PHE HZ H 1 6.633 0.003 . 1 . . . . 34 PHE HZ . 15525 2 331 . 2 2 37 37 PHE C C 13 175.560 0.000 . 1 . . . . 34 PHE C . 15525 2 332 . 2 2 37 37 PHE CA C 13 61.374 0.059 . 1 . . . . 34 PHE CA . 15525 2 333 . 2 2 37 37 PHE CB C 13 39.714 0.074 . 1 . . . . 34 PHE CB . 15525 2 334 . 2 2 37 37 PHE CD1 C 13 131.781 0.075 . 3 . . . . 34 PHE CD1 . 15525 2 335 . 2 2 37 37 PHE CD2 C 13 131.781 0.075 . 3 . . . . 34 PHE CD2 . 15525 2 336 . 2 2 37 37 PHE CE1 C 13 130.335 0.094 . 3 . . . . 34 PHE CE1 . 15525 2 337 . 2 2 37 37 PHE CE2 C 13 130.335 0.094 . 3 . . . . 34 PHE CE2 . 15525 2 338 . 2 2 37 37 PHE CZ C 13 127.411 0.039 . 1 . . . . 34 PHE CZ . 15525 2 339 . 2 2 37 37 PHE N N 15 119.667 0.061 . 1 . . . . 34 PHE N . 15525 2 340 . 2 2 38 38 MET H H 1 8.562 0.004 . 1 . . . . 35 MET H . 15525 2 341 . 2 2 38 38 MET HA H 1 3.573 0.011 . 1 . . . . 35 MET HA . 15525 2 342 . 2 2 38 38 MET HB2 H 1 -0.086 0.006 . 2 . . . . 35 MET HB2 . 15525 2 343 . 2 2 38 38 MET HB3 H 1 1.032 0.008 . 2 . . . . 35 MET HB3 . 15525 2 344 . 2 2 38 38 MET HE1 H 1 1.660 0.006 . 1 . . . . 35 MET HE1 . 15525 2 345 . 2 2 38 38 MET HE2 H 1 1.660 0.006 . 1 . . . . 35 MET HE2 . 15525 2 346 . 2 2 38 38 MET HE3 H 1 1.660 0.006 . 1 . . . . 35 MET HE3 . 15525 2 347 . 2 2 38 38 MET HG2 H 1 1.876 0.000 . 1 . . . . 35 MET HG2 . 15525 2 348 . 2 2 38 38 MET HG3 H 1 1.876 0.000 . 1 . . . . 35 MET HG3 . 15525 2 349 . 2 2 38 38 MET C C 13 175.993 0.000 . 1 . . . . 35 MET C . 15525 2 350 . 2 2 38 38 MET CA C 13 55.765 0.105 . 1 . . . . 35 MET CA . 15525 2 351 . 2 2 38 38 MET CB C 13 30.295 0.063 . 1 . . . . 35 MET CB . 15525 2 352 . 2 2 38 38 MET CE C 13 15.247 0.039 . 1 . . . . 35 MET CE . 15525 2 353 . 2 2 38 38 MET N N 15 114.121 0.104 . 1 . . . . 35 MET N . 15525 2 354 . 2 2 39 39 TYR H H 1 7.633 0.005 . 1 . . . . 36 TYR H . 15525 2 355 . 2 2 39 39 TYR HA H 1 4.953 0.009 . 1 . . . . 36 TYR HA . 15525 2 356 . 2 2 39 39 TYR HB2 H 1 2.447 0.011 . 2 . . . . 36 TYR HB2 . 15525 2 357 . 2 2 39 39 TYR HB3 H 1 3.403 0.006 . 2 . . . . 36 TYR HB3 . 15525 2 358 . 2 2 39 39 TYR HD1 H 1 6.958 0.007 . 3 . . . . 36 TYR HD1 . 15525 2 359 . 2 2 39 39 TYR HD2 H 1 6.958 0.007 . 3 . . . . 36 TYR HD2 . 15525 2 360 . 2 2 39 39 TYR HE1 H 1 6.626 0.003 . 3 . . . . 36 TYR HE1 . 15525 2 361 . 2 2 39 39 TYR HE2 H 1 6.626 0.003 . 3 . . . . 36 TYR HE2 . 15525 2 362 . 2 2 39 39 TYR C C 13 172.778 0.000 . 1 . . . . 36 TYR C . 15525 2 363 . 2 2 39 39 TYR CA C 13 56.068 0.033 . 1 . . . . 36 TYR CA . 15525 2 364 . 2 2 39 39 TYR CB C 13 41.039 0.061 . 1 . . . . 36 TYR CB . 15525 2 365 . 2 2 39 39 TYR CD1 C 13 133.542 0.061 . 3 . . . . 36 TYR CD1 . 15525 2 366 . 2 2 39 39 TYR CD2 C 13 133.542 0.061 . 3 . . . . 36 TYR CD2 . 15525 2 367 . 2 2 39 39 TYR CE1 C 13 117.252 0.051 . 3 . . . . 36 TYR CE1 . 15525 2 368 . 2 2 39 39 TYR CE2 C 13 117.252 0.051 . 3 . . . . 36 TYR CE2 . 15525 2 369 . 2 2 39 39 TYR N N 15 114.936 0.096 . 1 . . . . 36 TYR N . 15525 2 370 . 2 2 40 40 ASP H H 1 8.198 0.004 . 1 . . . . 37 ASP H . 15525 2 371 . 2 2 40 40 ASP HA H 1 4.755 0.002 . 1 . . . . 37 ASP HA . 15525 2 372 . 2 2 40 40 ASP HB2 H 1 2.859 0.008 . 2 . . . . 37 ASP HB2 . 15525 2 373 . 2 2 40 40 ASP HB3 H 1 2.845 0.010 . 2 . . . . 37 ASP HB3 . 15525 2 374 . 2 2 40 40 ASP C C 13 172.611 0.000 . 1 . . . . 37 ASP C . 15525 2 375 . 2 2 40 40 ASP CA C 13 55.749 0.050 . 1 . . . . 37 ASP CA . 15525 2 376 . 2 2 40 40 ASP CB C 13 38.991 0.090 . 1 . . . . 37 ASP CB . 15525 2 377 . 2 2 40 40 ASP N N 15 118.421 0.056 . 1 . . . . 37 ASP N . 15525 2 378 . 2 2 41 41 GLU H H 1 6.953 0.010 . 1 . . . . 38 GLU H . 15525 2 379 . 2 2 41 41 GLU HA H 1 4.490 0.009 . 1 . . . . 38 GLU HA . 15525 2 380 . 2 2 41 41 GLU HB2 H 1 1.690 0.008 . 2 . . . . 38 GLU HB2 . 15525 2 381 . 2 2 41 41 GLU HB3 H 1 1.615 0.015 . 2 . . . . 38 GLU HB3 . 15525 2 382 . 2 2 41 41 GLU HG2 H 1 1.963 0.008 . 2 . . . . 38 GLU HG2 . 15525 2 383 . 2 2 41 41 GLU HG3 H 1 2.041 0.015 . 2 . . . . 38 GLU HG3 . 15525 2 384 . 2 2 41 41 GLU C C 13 172.163 0.000 . 1 . . . . 38 GLU C . 15525 2 385 . 2 2 41 41 GLU CA C 13 54.303 0.063 . 1 . . . . 38 GLU CA . 15525 2 386 . 2 2 41 41 GLU CB C 13 33.490 0.041 . 1 . . . . 38 GLU CB . 15525 2 387 . 2 2 41 41 GLU CG C 13 35.632 0.072 . 1 . . . . 38 GLU CG . 15525 2 388 . 2 2 41 41 GLU N N 15 116.210 0.067 . 1 . . . . 38 GLU N . 15525 2 389 . 2 2 42 42 PHE H H 1 8.326 0.003 . 1 . . . . 39 PHE H . 15525 2 390 . 2 2 42 42 PHE HA H 1 4.869 0.003 . 1 . . . . 39 PHE HA . 15525 2 391 . 2 2 42 42 PHE HB2 H 1 2.679 0.008 . 2 . . . . 39 PHE HB2 . 15525 2 392 . 2 2 42 42 PHE HB3 H 1 2.918 0.010 . 2 . . . . 39 PHE HB3 . 15525 2 393 . 2 2 42 42 PHE HD1 H 1 6.922 0.008 . 3 . . . . 39 PHE HD1 . 15525 2 394 . 2 2 42 42 PHE HD2 H 1 6.922 0.008 . 3 . . . . 39 PHE HD2 . 15525 2 395 . 2 2 42 42 PHE HE1 H 1 6.361 0.012 . 3 . . . . 39 PHE HE1 . 15525 2 396 . 2 2 42 42 PHE HE2 H 1 6.361 0.012 . 3 . . . . 39 PHE HE2 . 15525 2 397 . 2 2 42 42 PHE HZ H 1 6.479 0.004 . 1 . . . . 39 PHE HZ . 15525 2 398 . 2 2 42 42 PHE C C 13 172.125 0.000 . 1 . . . . 39 PHE C . 15525 2 399 . 2 2 42 42 PHE CA C 13 55.989 0.024 . 1 . . . . 39 PHE CA . 15525 2 400 . 2 2 42 42 PHE CB C 13 40.542 0.099 . 1 . . . . 39 PHE CB . 15525 2 401 . 2 2 42 42 PHE CD1 C 13 131.906 0.034 . 3 . . . . 39 PHE CD1 . 15525 2 402 . 2 2 42 42 PHE CD2 C 13 131.906 0.034 . 3 . . . . 39 PHE CD2 . 15525 2 403 . 2 2 42 42 PHE CE1 C 13 129.719 0.036 . 3 . . . . 39 PHE CE1 . 15525 2 404 . 2 2 42 42 PHE CE2 C 13 129.719 0.036 . 3 . . . . 39 PHE CE2 . 15525 2 405 . 2 2 42 42 PHE CZ C 13 129.816 0.044 . 1 . . . . 39 PHE CZ . 15525 2 406 . 2 2 42 42 PHE N N 15 120.867 0.040 . 1 . . . . 39 PHE N . 15525 2 407 . 2 2 43 43 VAL H H 1 7.415 0.004 . 1 . . . . 40 VAL H . 15525 2 408 . 2 2 43 43 VAL HA H 1 3.911 0.004 . 1 . . . . 40 VAL HA . 15525 2 409 . 2 2 43 43 VAL HB H 1 1.739 0.003 . 1 . . . . 40 VAL HB . 15525 2 410 . 2 2 43 43 VAL HG11 H 1 0.718 0.005 . 2 . . . . 40 VAL HG11 . 15525 2 411 . 2 2 43 43 VAL HG12 H 1 0.718 0.005 . 2 . . . . 40 VAL HG12 . 15525 2 412 . 2 2 43 43 VAL HG13 H 1 0.718 0.005 . 2 . . . . 40 VAL HG13 . 15525 2 413 . 2 2 43 43 VAL HG21 H 1 0.746 0.004 . 2 . . . . 40 VAL HG21 . 15525 2 414 . 2 2 43 43 VAL HG22 H 1 0.746 0.004 . 2 . . . . 40 VAL HG22 . 15525 2 415 . 2 2 43 43 VAL HG23 H 1 0.746 0.004 . 2 . . . . 40 VAL HG23 . 15525 2 416 . 2 2 43 43 VAL C C 13 171.712 0.000 . 1 . . . . 40 VAL C . 15525 2 417 . 2 2 43 43 VAL CA C 13 60.116 0.044 . 1 . . . . 40 VAL CA . 15525 2 418 . 2 2 43 43 VAL CB C 13 33.044 0.034 . 1 . . . . 40 VAL CB . 15525 2 419 . 2 2 43 43 VAL CG1 C 13 19.972 0.124 . 2 . . . . 40 VAL CG1 . 15525 2 420 . 2 2 43 43 VAL CG2 C 13 20.757 0.048 . 2 . . . . 40 VAL CG2 . 15525 2 421 . 2 2 43 43 VAL N N 15 126.618 0.035 . 1 . . . . 40 VAL N . 15525 2 422 . 2 2 44 44 GLU H H 1 8.122 0.006 . 1 . . . . 41 GLU H . 15525 2 423 . 2 2 44 44 GLU HA H 1 3.559 0.007 . 1 . . . . 41 GLU HA . 15525 2 424 . 2 2 44 44 GLU HB2 H 1 1.920 0.002 . 2 . . . . 41 GLU HB2 . 15525 2 425 . 2 2 44 44 GLU HB3 H 1 1.703 0.005 . 2 . . . . 41 GLU HB3 . 15525 2 426 . 2 2 44 44 GLU HG2 H 1 2.102 0.003 . 2 . . . . 41 GLU HG2 . 15525 2 427 . 2 2 44 44 GLU HG3 H 1 2.185 0.015 . 2 . . . . 41 GLU HG3 . 15525 2 428 . 2 2 44 44 GLU C C 13 175.259 0.000 . 1 . . . . 41 GLU C . 15525 2 429 . 2 2 44 44 GLU CA C 13 57.714 0.091 . 1 . . . . 41 GLU CA . 15525 2 430 . 2 2 44 44 GLU CB C 13 30.649 0.033 . 1 . . . . 41 GLU CB . 15525 2 431 . 2 2 44 44 GLU CG C 13 36.786 0.047 . 1 . . . . 41 GLU CG . 15525 2 432 . 2 2 44 44 GLU N N 15 124.146 0.034 . 1 . . . . 41 GLU N . 15525 2 433 . 2 2 45 45 ASP H H 1 7.557 0.003 . 1 . . . . 42 ASP H . 15525 2 434 . 2 2 45 45 ASP HA H 1 4.492 0.007 . 1 . . . . 42 ASP HA . 15525 2 435 . 2 2 45 45 ASP HB2 H 1 2.336 0.002 . 2 . . . . 42 ASP HB2 . 15525 2 436 . 2 2 45 45 ASP HB3 H 1 2.485 0.004 . 2 . . . . 42 ASP HB3 . 15525 2 437 . 2 2 45 45 ASP C C 13 172.108 0.000 . 1 . . . . 42 ASP C . 15525 2 438 . 2 2 45 45 ASP CA C 13 53.966 0.062 . 1 . . . . 42 ASP CA . 15525 2 439 . 2 2 45 45 ASP CB C 13 41.539 0.056 . 1 . . . . 42 ASP CB . 15525 2 440 . 2 2 45 45 ASP N N 15 119.606 0.057 . 1 . . . . 42 ASP N . 15525 2 441 . 2 2 46 46 TYR H H 1 8.613 0.006 . 1 . . . . 43 TYR H . 15525 2 442 . 2 2 46 46 TYR HA H 1 4.954 0.001 . 1 . . . . 43 TYR HA . 15525 2 443 . 2 2 46 46 TYR HB2 H 1 2.830 0.001 . 2 . . . . 43 TYR HB2 . 15525 2 444 . 2 2 46 46 TYR HB3 H 1 3.044 0.020 . 2 . . . . 43 TYR HB3 . 15525 2 445 . 2 2 46 46 TYR HD1 H 1 7.085 0.004 . 3 . . . . 43 TYR HD1 . 15525 2 446 . 2 2 46 46 TYR HD2 H 1 7.085 0.004 . 3 . . . . 43 TYR HD2 . 15525 2 447 . 2 2 46 46 TYR HE1 H 1 6.869 0.005 . 3 . . . . 43 TYR HE1 . 15525 2 448 . 2 2 46 46 TYR HE2 H 1 6.869 0.005 . 3 . . . . 43 TYR HE2 . 15525 2 449 . 2 2 46 46 TYR C C 13 171.043 0.000 . 1 . . . . 43 TYR C . 15525 2 450 . 2 2 46 46 TYR CD1 C 13 132.247 0.070 . 3 . . . . 43 TYR CD1 . 15525 2 451 . 2 2 46 46 TYR CD2 C 13 132.247 0.070 . 3 . . . . 43 TYR CD2 . 15525 2 452 . 2 2 46 46 TYR CE1 C 13 117.136 0.066 . 3 . . . . 43 TYR CE1 . 15525 2 453 . 2 2 46 46 TYR CE2 C 13 117.136 0.066 . 3 . . . . 43 TYR CE2 . 15525 2 454 . 2 2 46 46 TYR N N 15 120.896 0.044 . 1 . . . . 43 TYR N . 15525 2 455 . 2 2 47 47 GLU HA H 1 4.622 0.005 . 1 . . . . 44 GLU HA . 15525 2 456 . 2 2 47 47 GLU HG2 H 1 1.978 0.002 . 1 . . . . 44 GLU HG2 . 15525 2 457 . 2 2 47 47 GLU HG3 H 1 1.978 0.002 . 1 . . . . 44 GLU HG3 . 15525 2 458 . 2 2 47 47 GLU CG C 13 35.779 0.082 . 1 . . . . 44 GLU CG . 15525 2 459 . 2 2 48 48 PRO HB2 H 1 1.781 0.004 . 2 . . . . 45 PRO HB2 . 15525 2 460 . 2 2 48 48 PRO HB3 H 1 1.781 0.005 . 2 . . . . 45 PRO HB3 . 15525 2 461 . 2 2 48 48 PRO HD2 H 1 3.028 0.006 . 2 . . . . 45 PRO HD2 . 15525 2 462 . 2 2 48 48 PRO HD3 H 1 3.433 0.008 . 2 . . . . 45 PRO HD3 . 15525 2 463 . 2 2 48 48 PRO HG2 H 1 1.829 0.007 . 2 . . . . 45 PRO HG2 . 15525 2 464 . 2 2 48 48 PRO HG3 H 1 1.435 0.007 . 2 . . . . 45 PRO HG3 . 15525 2 465 . 2 2 48 48 PRO CB C 13 32.396 0.017 . 1 . . . . 45 PRO CB . 15525 2 466 . 2 2 48 48 PRO CD C 13 51.246 0.048 . 1 . . . . 45 PRO CD . 15525 2 467 . 2 2 48 48 PRO CG C 13 26.915 0.101 . 1 . . . . 45 PRO CG . 15525 2 468 . 2 2 49 49 THR HB H 1 3.969 0.005 . 1 . . . . 46 THR HB . 15525 2 469 . 2 2 49 49 THR HG21 H 1 0.743 0.002 . 1 . . . . 46 THR HG21 . 15525 2 470 . 2 2 49 49 THR HG22 H 1 0.743 0.002 . 1 . . . . 46 THR HG22 . 15525 2 471 . 2 2 49 49 THR HG23 H 1 0.743 0.002 . 1 . . . . 46 THR HG23 . 15525 2 472 . 2 2 49 49 THR CB C 13 69.724 0.030 . 1 . . . . 46 THR CB . 15525 2 473 . 2 2 49 49 THR CG2 C 13 20.131 0.008 . 1 . . . . 46 THR CG2 . 15525 2 474 . 2 2 50 50 LYS H H 1 8.534 0.006 . 1 . . . . 47 LYS H . 15525 2 475 . 2 2 50 50 LYS HA H 1 4.066 0.003 . 1 . . . . 47 LYS HA . 15525 2 476 . 2 2 50 50 LYS HB2 H 1 1.416 0.007 . 2 . . . . 47 LYS HB2 . 15525 2 477 . 2 2 50 50 LYS HB3 H 1 1.615 0.008 . 2 . . . . 47 LYS HB3 . 15525 2 478 . 2 2 50 50 LYS HE2 H 1 2.772 0.004 . 2 . . . . 47 LYS HE2 . 15525 2 479 . 2 2 50 50 LYS HE3 H 1 2.772 0.005 . 2 . . . . 47 LYS HE3 . 15525 2 480 . 2 2 50 50 LYS HG2 H 1 0.788 0.008 . 2 . . . . 47 LYS HG2 . 15525 2 481 . 2 2 50 50 LYS HG3 H 1 0.970 0.008 . 2 . . . . 47 LYS HG3 . 15525 2 482 . 2 2 50 50 LYS CA C 13 58.836 0.095 . 1 . . . . 47 LYS CA . 15525 2 483 . 2 2 50 50 LYS CB C 13 32.238 0.096 . 1 . . . . 47 LYS CB . 15525 2 484 . 2 2 50 50 LYS CE C 13 41.967 0.062 . 1 . . . . 47 LYS CE . 15525 2 485 . 2 2 50 50 LYS CG C 13 24.738 0.033 . 1 . . . . 47 LYS CG . 15525 2 486 . 2 2 50 50 LYS N N 15 126.208 0.122 . 1 . . . . 47 LYS N . 15525 2 487 . 2 2 51 51 ALA H H 1 6.926 0.004 . 1 . . . . 48 ALA H . 15525 2 488 . 2 2 51 51 ALA HA H 1 4.245 0.002 . 1 . . . . 48 ALA HA . 15525 2 489 . 2 2 51 51 ALA HB1 H 1 1.001 0.004 . 1 . . . . 48 ALA HB1 . 15525 2 490 . 2 2 51 51 ALA HB2 H 1 1.001 0.004 . 1 . . . . 48 ALA HB2 . 15525 2 491 . 2 2 51 51 ALA HB3 H 1 1.001 0.004 . 1 . . . . 48 ALA HB3 . 15525 2 492 . 2 2 51 51 ALA CA C 13 52.637 0.044 . 1 . . . . 48 ALA CA . 15525 2 493 . 2 2 51 51 ALA CB C 13 21.526 0.047 . 1 . . . . 48 ALA CB . 15525 2 494 . 2 2 51 51 ALA N N 15 115.121 0.055 . 1 . . . . 48 ALA N . 15525 2 495 . 2 2 52 52 ASP H H 1 8.251 0.001 . 1 . . . . 49 ASP H . 15525 2 496 . 2 2 52 52 ASP N N 15 117.368 0.010 . 1 . . . . 49 ASP N . 15525 2 497 . 2 2 54 54 TYR HA H 1 4.686 0.000 . 1 . . . . 51 TYR HA . 15525 2 498 . 2 2 54 54 TYR HB2 H 1 2.493 0.000 . 2 . . . . 51 TYR HB2 . 15525 2 499 . 2 2 54 54 TYR HB3 H 1 3.218 0.000 . 2 . . . . 51 TYR HB3 . 15525 2 500 . 2 2 55 55 ARG H H 1 8.812 0.007 . 1 . . . . 52 ARG H . 15525 2 501 . 2 2 55 55 ARG HA H 1 5.921 0.008 . 1 . . . . 52 ARG HA . 15525 2 502 . 2 2 55 55 ARG HB2 H 1 1.448 0.005 . 2 . . . . 52 ARG HB2 . 15525 2 503 . 2 2 55 55 ARG HB3 H 1 1.652 0.000 . 2 . . . . 52 ARG HB3 . 15525 2 504 . 2 2 55 55 ARG HD2 H 1 3.285 0.007 . 1 . . . . 52 ARG HD2 . 15525 2 505 . 2 2 55 55 ARG HD3 H 1 3.285 0.007 . 1 . . . . 52 ARG HD3 . 15525 2 506 . 2 2 55 55 ARG HG2 H 1 1.376 0.012 . 1 . . . . 52 ARG HG2 . 15525 2 507 . 2 2 55 55 ARG CA C 13 55.540 0.021 . 1 . . . . 52 ARG CA . 15525 2 508 . 2 2 55 55 ARG CB C 13 32.540 0.002 . 1 . . . . 52 ARG CB . 15525 2 509 . 2 2 55 55 ARG CG C 13 26.465 0.111 . 1 . . . . 52 ARG CG . 15525 2 510 . 2 2 55 55 ARG N N 15 124.232 0.074 . 1 . . . . 52 ARG N . 15525 2 511 . 2 2 56 56 LYS H H 1 9.046 0.003 . 1 . . . . 53 LYS H . 15525 2 512 . 2 2 56 56 LYS HA H 1 4.546 0.003 . 1 . . . . 53 LYS HA . 15525 2 513 . 2 2 56 56 LYS HB2 H 1 1.587 0.011 . 1 . . . . 53 LYS HB2 . 15525 2 514 . 2 2 56 56 LYS HB3 H 1 1.587 0.011 . 1 . . . . 53 LYS HB3 . 15525 2 515 . 2 2 56 56 LYS HD2 H 1 1.261 0.006 . 2 . . . . 53 LYS HD2 . 15525 2 516 . 2 2 56 56 LYS HD3 H 1 0.890 0.012 . 2 . . . . 53 LYS HD3 . 15525 2 517 . 2 2 56 56 LYS HE2 H 1 2.420 0.003 . 2 . . . . 53 LYS HE2 . 15525 2 518 . 2 2 56 56 LYS HE3 H 1 2.626 0.004 . 2 . . . . 53 LYS HE3 . 15525 2 519 . 2 2 56 56 LYS HG2 H 1 1.254 0.010 . 2 . . . . 53 LYS HG2 . 15525 2 520 . 2 2 56 56 LYS HG3 H 1 1.191 0.013 . 2 . . . . 53 LYS HG3 . 15525 2 521 . 2 2 56 56 LYS C C 13 171.413 0.000 . 1 . . . . 53 LYS C . 15525 2 522 . 2 2 56 56 LYS CA C 13 55.277 0.083 . 1 . . . . 53 LYS CA . 15525 2 523 . 2 2 56 56 LYS CB C 13 38.317 0.078 . 1 . . . . 53 LYS CB . 15525 2 524 . 2 2 56 56 LYS CD C 13 30.458 0.068 . 1 . . . . 53 LYS CD . 15525 2 525 . 2 2 56 56 LYS CE C 13 42.035 0.039 . 1 . . . . 53 LYS CE . 15525 2 526 . 2 2 56 56 LYS CG C 13 25.112 0.119 . 1 . . . . 53 LYS CG . 15525 2 527 . 2 2 56 56 LYS N N 15 127.212 0.049 . 1 . . . . 53 LYS N . 15525 2 528 . 2 2 57 57 LYS H H 1 8.344 0.007 . 1 . . . . 54 LYS H . 15525 2 529 . 2 2 57 57 LYS HA H 1 4.974 0.007 . 1 . . . . 54 LYS HA . 15525 2 530 . 2 2 57 57 LYS HB2 H 1 1.696 0.009 . 2 . . . . 54 LYS HB2 . 15525 2 531 . 2 2 57 57 LYS HB3 H 1 1.593 0.006 . 2 . . . . 54 LYS HB3 . 15525 2 532 . 2 2 57 57 LYS HD2 H 1 1.508 0.005 . 2 . . . . 54 LYS HD2 . 15525 2 533 . 2 2 57 57 LYS HD3 H 1 1.508 0.005 . 2 . . . . 54 LYS HD3 . 15525 2 534 . 2 2 57 57 LYS HE2 H 1 2.764 0.004 . 1 . . . . 54 LYS HE2 . 15525 2 535 . 2 2 57 57 LYS HE3 H 1 2.764 0.004 . 1 . . . . 54 LYS HE3 . 15525 2 536 . 2 2 57 57 LYS HG2 H 1 1.183 0.010 . 2 . . . . 54 LYS HG2 . 15525 2 537 . 2 2 57 57 LYS HG3 H 1 1.335 0.011 . 2 . . . . 54 LYS HG3 . 15525 2 538 . 2 2 57 57 LYS C C 13 173.681 0.000 . 1 . . . . 54 LYS C . 15525 2 539 . 2 2 57 57 LYS CA C 13 55.960 0.051 . 1 . . . . 54 LYS CA . 15525 2 540 . 2 2 57 57 LYS CB C 13 33.120 0.023 . 1 . . . . 54 LYS CB . 15525 2 541 . 2 2 57 57 LYS CD C 13 29.332 0.037 . 1 . . . . 54 LYS CD . 15525 2 542 . 2 2 57 57 LYS CE C 13 41.817 0.032 . 1 . . . . 54 LYS CE . 15525 2 543 . 2 2 57 57 LYS CG C 13 25.028 0.037 . 1 . . . . 54 LYS CG . 15525 2 544 . 2 2 57 57 LYS N N 15 124.634 0.068 . 1 . . . . 54 LYS N . 15525 2 545 . 2 2 58 58 VAL H H 1 8.911 0.008 . 1 . . . . 55 VAL H . 15525 2 546 . 2 2 58 58 VAL HA H 1 4.612 0.005 . 1 . . . . 55 VAL HA . 15525 2 547 . 2 2 58 58 VAL HB H 1 2.120 0.004 . 1 . . . . 55 VAL HB . 15525 2 548 . 2 2 58 58 VAL HG11 H 1 0.734 0.003 . 2 . . . . 55 VAL HG11 . 15525 2 549 . 2 2 58 58 VAL HG12 H 1 0.734 0.003 . 2 . . . . 55 VAL HG12 . 15525 2 550 . 2 2 58 58 VAL HG13 H 1 0.734 0.003 . 2 . . . . 55 VAL HG13 . 15525 2 551 . 2 2 58 58 VAL HG21 H 1 0.551 0.003 . 2 . . . . 55 VAL HG21 . 15525 2 552 . 2 2 58 58 VAL HG22 H 1 0.551 0.003 . 2 . . . . 55 VAL HG22 . 15525 2 553 . 2 2 58 58 VAL HG23 H 1 0.551 0.003 . 2 . . . . 55 VAL HG23 . 15525 2 554 . 2 2 58 58 VAL C C 13 170.970 0.000 . 1 . . . . 55 VAL C . 15525 2 555 . 2 2 58 58 VAL CA C 13 59.093 0.008 . 1 . . . . 55 VAL CA . 15525 2 556 . 2 2 58 58 VAL CB C 13 36.067 0.048 . 1 . . . . 55 VAL CB . 15525 2 557 . 2 2 58 58 VAL CG1 C 13 22.371 0.043 . 2 . . . . 55 VAL CG1 . 15525 2 558 . 2 2 58 58 VAL CG2 C 13 19.509 0.027 . 2 . . . . 55 VAL CG2 . 15525 2 559 . 2 2 58 58 VAL N N 15 119.051 0.047 . 1 . . . . 55 VAL N . 15525 2 560 . 2 2 59 59 VAL H H 1 8.239 0.004 . 1 . . . . 56 VAL H . 15525 2 561 . 2 2 59 59 VAL HA H 1 4.398 0.006 . 1 . . . . 56 VAL HA . 15525 2 562 . 2 2 59 59 VAL HB H 1 1.832 0.004 . 1 . . . . 56 VAL HB . 15525 2 563 . 2 2 59 59 VAL HG11 H 1 0.590 0.003 . 2 . . . . 56 VAL HG11 . 15525 2 564 . 2 2 59 59 VAL HG12 H 1 0.590 0.003 . 2 . . . . 56 VAL HG12 . 15525 2 565 . 2 2 59 59 VAL HG13 H 1 0.590 0.003 . 2 . . . . 56 VAL HG13 . 15525 2 566 . 2 2 59 59 VAL HG21 H 1 0.776 0.004 . 2 . . . . 56 VAL HG21 . 15525 2 567 . 2 2 59 59 VAL HG22 H 1 0.776 0.004 . 2 . . . . 56 VAL HG22 . 15525 2 568 . 2 2 59 59 VAL HG23 H 1 0.776 0.004 . 2 . . . . 56 VAL HG23 . 15525 2 569 . 2 2 59 59 VAL C C 13 172.383 0.000 . 1 . . . . 56 VAL C . 15525 2 570 . 2 2 59 59 VAL CA C 13 61.922 0.046 . 1 . . . . 56 VAL CA . 15525 2 571 . 2 2 59 59 VAL CB C 13 31.353 0.024 . 1 . . . . 56 VAL CB . 15525 2 572 . 2 2 59 59 VAL CG1 C 13 21.226 0.039 . 2 . . . . 56 VAL CG1 . 15525 2 573 . 2 2 59 59 VAL CG2 C 13 21.314 0.046 . 2 . . . . 56 VAL CG2 . 15525 2 574 . 2 2 59 59 VAL N N 15 120.879 0.052 . 1 . . . . 56 VAL N . 15525 2 575 . 2 2 60 60 LEU H H 1 9.062 0.006 . 1 . . . . 57 LEU H . 15525 2 576 . 2 2 60 60 LEU HA H 1 4.534 0.006 . 1 . . . . 57 LEU HA . 15525 2 577 . 2 2 60 60 LEU HB2 H 1 0.775 0.006 . 2 . . . . 57 LEU HB2 . 15525 2 578 . 2 2 60 60 LEU HB3 H 1 1.885 0.007 . 2 . . . . 57 LEU HB3 . 15525 2 579 . 2 2 60 60 LEU HD11 H 1 0.780 0.004 . 2 . . . . 57 LEU HD11 . 15525 2 580 . 2 2 60 60 LEU HD12 H 1 0.780 0.004 . 2 . . . . 57 LEU HD12 . 15525 2 581 . 2 2 60 60 LEU HD13 H 1 0.780 0.004 . 2 . . . . 57 LEU HD13 . 15525 2 582 . 2 2 60 60 LEU HD21 H 1 0.782 0.004 . 2 . . . . 57 LEU HD21 . 15525 2 583 . 2 2 60 60 LEU HD22 H 1 0.782 0.004 . 2 . . . . 57 LEU HD22 . 15525 2 584 . 2 2 60 60 LEU HD23 H 1 0.782 0.004 . 2 . . . . 57 LEU HD23 . 15525 2 585 . 2 2 60 60 LEU HG H 1 1.236 0.004 . 1 . . . . 57 LEU HG . 15525 2 586 . 2 2 60 60 LEU C C 13 173.233 0.000 . 1 . . . . 57 LEU C . 15525 2 587 . 2 2 60 60 LEU CA C 13 52.934 0.002 . 1 . . . . 57 LEU CA . 15525 2 588 . 2 2 60 60 LEU CB C 13 44.813 0.031 . 1 . . . . 57 LEU CB . 15525 2 589 . 2 2 60 60 LEU CD1 C 13 26.716 0.037 . 2 . . . . 57 LEU CD1 . 15525 2 590 . 2 2 60 60 LEU CD2 C 13 23.870 0.054 . 2 . . . . 57 LEU CD2 . 15525 2 591 . 2 2 60 60 LEU CG C 13 27.463 0.000 . 1 . . . . 57 LEU CG . 15525 2 592 . 2 2 60 60 LEU N N 15 129.467 0.056 . 1 . . . . 57 LEU N . 15525 2 593 . 2 2 61 61 ASP H H 1 9.562 0.006 . 1 . . . . 58 ASP H . 15525 2 594 . 2 2 61 61 ASP HA H 1 4.182 0.004 . 1 . . . . 58 ASP HA . 15525 2 595 . 2 2 61 61 ASP HB2 H 1 2.784 0.007 . 2 . . . . 58 ASP HB2 . 15525 2 596 . 2 2 61 61 ASP HB3 H 1 2.577 0.002 . 2 . . . . 58 ASP HB3 . 15525 2 597 . 2 2 61 61 ASP C C 13 173.825 0.000 . 1 . . . . 58 ASP C . 15525 2 598 . 2 2 61 61 ASP CA C 13 55.577 0.028 . 1 . . . . 58 ASP CA . 15525 2 599 . 2 2 61 61 ASP CB C 13 39.695 0.094 . 1 . . . . 58 ASP CB . 15525 2 600 . 2 2 61 61 ASP N N 15 129.552 0.076 . 1 . . . . 58 ASP N . 15525 2 601 . 2 2 62 62 GLY H H 1 7.975 0.003 . 1 . . . . 59 GLY H . 15525 2 602 . 2 2 62 62 GLY HA2 H 1 4.107 0.007 . 2 . . . . 59 GLY HA2 . 15525 2 603 . 2 2 62 62 GLY HA3 H 1 3.372 0.004 . 2 . . . . 59 GLY HA3 . 15525 2 604 . 2 2 62 62 GLY C C 13 170.954 0.000 . 1 . . . . 59 GLY C . 15525 2 605 . 2 2 62 62 GLY CA C 13 45.210 0.039 . 1 . . . . 59 GLY CA . 15525 2 606 . 2 2 62 62 GLY N N 15 102.199 0.070 . 1 . . . . 59 GLY N . 15525 2 607 . 2 2 63 63 GLU H H 1 7.523 0.005 . 1 . . . . 60 GLU H . 15525 2 608 . 2 2 63 63 GLU HA H 1 4.536 0.005 . 1 . . . . 60 GLU HA . 15525 2 609 . 2 2 63 63 GLU HB2 H 1 1.934 0.004 . 2 . . . . 60 GLU HB2 . 15525 2 610 . 2 2 63 63 GLU HB3 H 1 1.776 0.003 . 2 . . . . 60 GLU HB3 . 15525 2 611 . 2 2 63 63 GLU HG2 H 1 2.053 0.022 . 2 . . . . 60 GLU HG2 . 15525 2 612 . 2 2 63 63 GLU HG3 H 1 2.146 0.031 . 2 . . . . 60 GLU HG3 . 15525 2 613 . 2 2 63 63 GLU C C 13 172.294 0.000 . 1 . . . . 60 GLU C . 15525 2 614 . 2 2 63 63 GLU CA C 13 54.186 0.022 . 1 . . . . 60 GLU CA . 15525 2 615 . 2 2 63 63 GLU CB C 13 32.232 0.046 . 1 . . . . 60 GLU CB . 15525 2 616 . 2 2 63 63 GLU CG C 13 35.897 0.099 . 1 . . . . 60 GLU CG . 15525 2 617 . 2 2 63 63 GLU N N 15 120.419 0.052 . 1 . . . . 60 GLU N . 15525 2 618 . 2 2 64 64 GLU H H 1 8.723 0.004 . 1 . . . . 61 GLU H . 15525 2 619 . 2 2 64 64 GLU HA H 1 4.563 0.005 . 1 . . . . 61 GLU HA . 15525 2 620 . 2 2 64 64 GLU HB2 H 1 1.936 0.009 . 2 . . . . 61 GLU HB2 . 15525 2 621 . 2 2 64 64 GLU HB3 H 1 1.847 0.020 . 2 . . . . 61 GLU HB3 . 15525 2 622 . 2 2 64 64 GLU HG2 H 1 1.933 0.007 . 2 . . . . 61 GLU HG2 . 15525 2 623 . 2 2 64 64 GLU HG3 H 1 2.147 0.005 . 2 . . . . 61 GLU HG3 . 15525 2 624 . 2 2 64 64 GLU C C 13 173.267 0.000 . 1 . . . . 61 GLU C . 15525 2 625 . 2 2 64 64 GLU CA C 13 57.180 0.026 . 1 . . . . 61 GLU CA . 15525 2 626 . 2 2 64 64 GLU CB C 13 30.169 0.033 . 1 . . . . 61 GLU CB . 15525 2 627 . 2 2 64 64 GLU CG C 13 37.329 0.083 . 1 . . . . 61 GLU CG . 15525 2 628 . 2 2 64 64 GLU N N 15 125.093 0.043 . 1 . . . . 61 GLU N . 15525 2 629 . 2 2 65 65 VAL H H 1 9.025 0.006 . 1 . . . . 62 VAL H . 15525 2 630 . 2 2 65 65 VAL HA H 1 4.627 0.012 . 1 . . . . 62 VAL HA . 15525 2 631 . 2 2 65 65 VAL HB H 1 1.824 0.007 . 1 . . . . 62 VAL HB . 15525 2 632 . 2 2 65 65 VAL HG11 H 1 0.651 0.003 . 2 . . . . 62 VAL HG11 . 15525 2 633 . 2 2 65 65 VAL HG12 H 1 0.651 0.003 . 2 . . . . 62 VAL HG12 . 15525 2 634 . 2 2 65 65 VAL HG13 H 1 0.651 0.003 . 2 . . . . 62 VAL HG13 . 15525 2 635 . 2 2 65 65 VAL HG21 H 1 0.850 0.003 . 2 . . . . 62 VAL HG21 . 15525 2 636 . 2 2 65 65 VAL HG22 H 1 0.850 0.003 . 2 . . . . 62 VAL HG22 . 15525 2 637 . 2 2 65 65 VAL HG23 H 1 0.850 0.003 . 2 . . . . 62 VAL HG23 . 15525 2 638 . 2 2 65 65 VAL C C 13 171.335 0.000 . 1 . . . . 62 VAL C . 15525 2 639 . 2 2 65 65 VAL CA C 13 59.207 0.030 . 1 . . . . 62 VAL CA . 15525 2 640 . 2 2 65 65 VAL CB C 13 35.862 0.091 . 1 . . . . 62 VAL CB . 15525 2 641 . 2 2 65 65 VAL CG1 C 13 20.458 0.088 . 2 . . . . 62 VAL CG1 . 15525 2 642 . 2 2 65 65 VAL CG2 C 13 21.990 0.074 . 2 . . . . 62 VAL CG2 . 15525 2 643 . 2 2 65 65 VAL N N 15 121.734 0.072 . 1 . . . . 62 VAL N . 15525 2 644 . 2 2 66 66 GLN H H 1 8.172 0.007 . 1 . . . . 63 GLN H . 15525 2 645 . 2 2 66 66 GLN HA H 1 5.239 0.005 . 1 . . . . 63 GLN HA . 15525 2 646 . 2 2 66 66 GLN HB2 H 1 1.818 0.005 . 2 . . . . 63 GLN HB2 . 15525 2 647 . 2 2 66 66 GLN HB3 H 1 1.590 0.006 . 2 . . . . 63 GLN HB3 . 15525 2 648 . 2 2 66 66 GLN HE21 H 1 6.577 0.003 . 1 . . . . 63 GLN HE21 . 15525 2 649 . 2 2 66 66 GLN HE22 H 1 7.224 0.005 . 1 . . . . 63 GLN HE22 . 15525 2 650 . 2 2 66 66 GLN HG2 H 1 1.833 0.010 . 2 . . . . 63 GLN HG2 . 15525 2 651 . 2 2 66 66 GLN HG3 H 1 2.270 0.010 . 2 . . . . 63 GLN HG3 . 15525 2 652 . 2 2 66 66 GLN C C 13 171.033 0.000 . 1 . . . . 63 GLN C . 15525 2 653 . 2 2 66 66 GLN CA C 13 54.346 0.042 . 1 . . . . 63 GLN CA . 15525 2 654 . 2 2 66 66 GLN CB C 13 33.238 0.057 . 1 . . . . 63 GLN CB . 15525 2 655 . 2 2 66 66 GLN CG C 13 35.895 0.065 . 1 . . . . 63 GLN CG . 15525 2 656 . 2 2 66 66 GLN N N 15 117.357 0.038 . 1 . . . . 63 GLN N . 15525 2 657 . 2 2 66 66 GLN NE2 N 15 108.824 0.035 . 1 . . . . 63 GLN NE2 . 15525 2 658 . 2 2 67 67 ILE H H 1 9.047 0.007 . 1 . . . . 64 ILE H . 15525 2 659 . 2 2 67 67 ILE HA H 1 5.153 0.015 . 1 . . . . 64 ILE HA . 15525 2 660 . 2 2 67 67 ILE HB H 1 1.994 0.005 . 1 . . . . 64 ILE HB . 15525 2 661 . 2 2 67 67 ILE HD11 H 1 0.742 0.005 . 1 . . . . 64 ILE HD11 . 15525 2 662 . 2 2 67 67 ILE HD12 H 1 0.742 0.005 . 1 . . . . 64 ILE HD12 . 15525 2 663 . 2 2 67 67 ILE HD13 H 1 0.742 0.005 . 1 . . . . 64 ILE HD13 . 15525 2 664 . 2 2 67 67 ILE HG12 H 1 1.608 0.017 . 2 . . . . 64 ILE HG12 . 15525 2 665 . 2 2 67 67 ILE HG13 H 1 0.946 0.009 . 2 . . . . 64 ILE HG13 . 15525 2 666 . 2 2 67 67 ILE HG21 H 1 0.996 0.006 . 1 . . . . 64 ILE HG21 . 15525 2 667 . 2 2 67 67 ILE HG22 H 1 0.996 0.006 . 1 . . . . 64 ILE HG22 . 15525 2 668 . 2 2 67 67 ILE HG23 H 1 0.996 0.006 . 1 . . . . 64 ILE HG23 . 15525 2 669 . 2 2 67 67 ILE CA C 13 57.370 0.104 . 1 . . . . 64 ILE CA . 15525 2 670 . 2 2 67 67 ILE CB C 13 40.585 0.053 . 1 . . . . 64 ILE CB . 15525 2 671 . 2 2 67 67 ILE CD1 C 13 13.862 0.043 . 1 . . . . 64 ILE CD1 . 15525 2 672 . 2 2 67 67 ILE CG1 C 13 29.041 0.045 . 1 . . . . 64 ILE CG1 . 15525 2 673 . 2 2 67 67 ILE CG2 C 13 15.550 0.045 . 1 . . . . 64 ILE CG2 . 15525 2 674 . 2 2 67 67 ILE N N 15 120.983 0.076 . 1 . . . . 64 ILE N . 15525 2 675 . 2 2 68 68 ASP H H 1 8.661 0.006 . 1 . . . . 65 ASP H . 15525 2 676 . 2 2 68 68 ASP HA H 1 5.978 0.004 . 1 . . . . 65 ASP HA . 15525 2 677 . 2 2 68 68 ASP HB2 H 1 2.867 0.003 . 2 . . . . 65 ASP HB2 . 15525 2 678 . 2 2 68 68 ASP HB3 H 1 2.205 0.007 . 2 . . . . 65 ASP HB3 . 15525 2 679 . 2 2 68 68 ASP CA C 13 52.186 0.015 . 1 . . . . 65 ASP CA . 15525 2 680 . 2 2 68 68 ASP CB C 13 43.863 0.001 . 1 . . . . 65 ASP CB . 15525 2 681 . 2 2 68 68 ASP N N 15 128.462 0.073 . 1 . . . . 65 ASP N . 15525 2 682 . 2 2 69 69 ILE H H 1 9.082 0.004 . 1 . . . . 66 ILE H . 15525 2 683 . 2 2 69 69 ILE HA H 1 5.184 0.011 . 1 . . . . 66 ILE HA . 15525 2 684 . 2 2 69 69 ILE HB H 1 1.526 0.012 . 1 . . . . 66 ILE HB . 15525 2 685 . 2 2 69 69 ILE HD11 H 1 0.528 0.003 . 1 . . . . 66 ILE HD11 . 15525 2 686 . 2 2 69 69 ILE HD12 H 1 0.528 0.003 . 1 . . . . 66 ILE HD12 . 15525 2 687 . 2 2 69 69 ILE HD13 H 1 0.528 0.003 . 1 . . . . 66 ILE HD13 . 15525 2 688 . 2 2 69 69 ILE HG12 H 1 1.645 0.008 . 1 . . . . 66 ILE HG12 . 15525 2 689 . 2 2 69 69 ILE HG13 H 1 1.645 0.008 . 1 . . . . 66 ILE HG13 . 15525 2 690 . 2 2 69 69 ILE HG21 H 1 0.836 0.003 . 1 . . . . 66 ILE HG21 . 15525 2 691 . 2 2 69 69 ILE HG22 H 1 0.836 0.003 . 1 . . . . 66 ILE HG22 . 15525 2 692 . 2 2 69 69 ILE HG23 H 1 0.836 0.003 . 1 . . . . 66 ILE HG23 . 15525 2 693 . 2 2 69 69 ILE CA C 13 59.715 0.126 . 1 . . . . 66 ILE CA . 15525 2 694 . 2 2 69 69 ILE CB C 13 42.538 0.064 . 1 . . . . 66 ILE CB . 15525 2 695 . 2 2 69 69 ILE CD1 C 13 15.669 0.134 . 1 . . . . 66 ILE CD1 . 15525 2 696 . 2 2 69 69 ILE CG1 C 13 27.759 0.013 . 1 . . . . 66 ILE CG1 . 15525 2 697 . 2 2 69 69 ILE CG2 C 13 18.694 0.093 . 1 . . . . 66 ILE CG2 . 15525 2 698 . 2 2 69 69 ILE N N 15 120.916 0.036 . 1 . . . . 66 ILE N . 15525 2 699 . 2 2 70 70 LEU H H 1 9.286 0.005 . 1 . . . . 67 LEU H . 15525 2 700 . 2 2 70 70 LEU HA H 1 4.588 0.024 . 1 . . . . 67 LEU HA . 15525 2 701 . 2 2 70 70 LEU HB2 H 1 1.376 0.009 . 1 . . . . 67 LEU HB2 . 15525 2 702 . 2 2 70 70 LEU HB3 H 1 1.376 0.009 . 1 . . . . 67 LEU HB3 . 15525 2 703 . 2 2 70 70 LEU HD11 H 1 -0.299 0.004 . 2 . . . . 67 LEU HD11 . 15525 2 704 . 2 2 70 70 LEU HD12 H 1 -0.299 0.004 . 2 . . . . 67 LEU HD12 . 15525 2 705 . 2 2 70 70 LEU HD13 H 1 -0.299 0.004 . 2 . . . . 67 LEU HD13 . 15525 2 706 . 2 2 70 70 LEU HD21 H 1 -0.277 0.008 . 2 . . . . 67 LEU HD21 . 15525 2 707 . 2 2 70 70 LEU HD22 H 1 -0.277 0.008 . 2 . . . . 67 LEU HD22 . 15525 2 708 . 2 2 70 70 LEU HD23 H 1 -0.277 0.008 . 2 . . . . 67 LEU HD23 . 15525 2 709 . 2 2 70 70 LEU HG H 1 0.367 0.003 . 1 . . . . 67 LEU HG . 15525 2 710 . 2 2 70 70 LEU CB C 13 42.078 0.013 . 1 . . . . 67 LEU CB . 15525 2 711 . 2 2 70 70 LEU CD1 C 13 22.003 0.040 . 2 . . . . 67 LEU CD1 . 15525 2 712 . 2 2 70 70 LEU CD2 C 13 23.555 0.102 . 2 . . . . 67 LEU CD2 . 15525 2 713 . 2 2 70 70 LEU CG C 13 26.979 0.039 . 1 . . . . 67 LEU CG . 15525 2 714 . 2 2 70 70 LEU N N 15 132.305 0.030 . 1 . . . . 67 LEU N . 15525 2 715 . 2 2 71 71 ASP H H 1 9.001 0.002 . 1 . . . . 68 ASP H . 15525 2 716 . 2 2 71 71 ASP HA H 1 4.627 0.017 . 1 . . . . 68 ASP HA . 15525 2 717 . 2 2 71 71 ASP HB2 H 1 2.390 0.005 . 2 . . . . 68 ASP HB2 . 15525 2 718 . 2 2 71 71 ASP HB3 H 1 2.340 0.003 . 2 . . . . 68 ASP HB3 . 15525 2 719 . 2 2 71 71 ASP CA C 13 53.532 0.000 . 1 . . . . 68 ASP CA . 15525 2 720 . 2 2 71 71 ASP CB C 13 42.695 0.084 . 1 . . . . 68 ASP CB . 15525 2 721 . 2 2 71 71 ASP N N 15 127.665 0.063 . 1 . . . . 68 ASP N . 15525 2 722 . 2 2 72 72 THR H H 1 6.538 0.003 . 1 . . . . 69 THR H . 15525 2 723 . 2 2 72 72 THR HA H 1 4.405 0.015 . 1 . . . . 69 THR HA . 15525 2 724 . 2 2 72 72 THR HB H 1 4.303 0.008 . 1 . . . . 69 THR HB . 15525 2 725 . 2 2 72 72 THR HG1 H 1 5.822 0.003 . 1 . . . . 69 THR HG1 . 15525 2 726 . 2 2 72 72 THR HG21 H 1 1.052 0.004 . 1 . . . . 69 THR HG21 . 15525 2 727 . 2 2 72 72 THR HG22 H 1 1.052 0.004 . 1 . . . . 69 THR HG22 . 15525 2 728 . 2 2 72 72 THR HG23 H 1 1.052 0.004 . 1 . . . . 69 THR HG23 . 15525 2 729 . 2 2 72 72 THR CA C 13 60.064 0.076 . 1 . . . . 69 THR CA . 15525 2 730 . 2 2 72 72 THR CB C 13 72.696 0.050 . 1 . . . . 69 THR CB . 15525 2 731 . 2 2 72 72 THR CG2 C 13 22.375 0.109 . 1 . . . . 69 THR CG2 . 15525 2 732 . 2 2 72 72 THR N N 15 110.661 0.046 . 1 . . . . 69 THR N . 15525 2 733 . 2 2 73 73 ALA H H 1 7.751 0.007 . 1 . . . . 70 ALA H . 15525 2 734 . 2 2 73 73 ALA HA H 1 4.230 0.005 . 1 . . . . 70 ALA HA . 15525 2 735 . 2 2 73 73 ALA HB1 H 1 1.604 0.004 . 1 . . . . 70 ALA HB1 . 15525 2 736 . 2 2 73 73 ALA HB2 H 1 1.604 0.004 . 1 . . . . 70 ALA HB2 . 15525 2 737 . 2 2 73 73 ALA HB3 H 1 1.604 0.004 . 1 . . . . 70 ALA HB3 . 15525 2 738 . 2 2 73 73 ALA CA C 13 52.508 0.001 . 1 . . . . 70 ALA CA . 15525 2 739 . 2 2 73 73 ALA CB C 13 22.181 0.082 . 1 . . . . 70 ALA CB . 15525 2 740 . 2 2 73 73 ALA N N 15 120.068 0.009 . 1 . . . . 70 ALA N . 15525 2 741 . 2 2 74 74 GLY H H 1 9.336 0.007 . 1 . . . . 71 GLY H . 15525 2 742 . 2 2 74 74 GLY HA2 H 1 3.603 0.001 . 2 . . . . 71 GLY HA2 . 15525 2 743 . 2 2 74 74 GLY HA3 H 1 3.614 0.005 . 2 . . . . 71 GLY HA3 . 15525 2 744 . 2 2 74 74 GLY CA C 13 46.722 0.069 . 1 . . . . 71 GLY CA . 15525 2 745 . 2 2 74 74 GLY N N 15 113.164 0.056 . 1 . . . . 71 GLY N . 15525 2 746 . 2 2 75 75 LEU H H 1 7.980 0.005 . 1 . . . . 72 LEU H . 15525 2 747 . 2 2 75 75 LEU HA H 1 4.447 0.008 . 1 . . . . 72 LEU HA . 15525 2 748 . 2 2 75 75 LEU HB2 H 1 1.731 0.011 . 2 . . . . 72 LEU HB2 . 15525 2 749 . 2 2 75 75 LEU HB3 H 1 1.622 0.016 . 2 . . . . 72 LEU HB3 . 15525 2 750 . 2 2 75 75 LEU HD11 H 1 0.912 0.008 . 2 . . . . 72 LEU HD11 . 15525 2 751 . 2 2 75 75 LEU HD12 H 1 0.912 0.008 . 2 . . . . 72 LEU HD12 . 15525 2 752 . 2 2 75 75 LEU HD13 H 1 0.912 0.008 . 2 . . . . 72 LEU HD13 . 15525 2 753 . 2 2 75 75 LEU HD21 H 1 0.867 0.005 . 2 . . . . 72 LEU HD21 . 15525 2 754 . 2 2 75 75 LEU HD22 H 1 0.867 0.005 . 2 . . . . 72 LEU HD22 . 15525 2 755 . 2 2 75 75 LEU HD23 H 1 0.867 0.005 . 2 . . . . 72 LEU HD23 . 15525 2 756 . 2 2 75 75 LEU HG H 1 1.703 0.005 . 1 . . . . 72 LEU HG . 15525 2 757 . 2 2 75 75 LEU C C 13 172.253 0.000 . 1 . . . . 72 LEU C . 15525 2 758 . 2 2 75 75 LEU CA C 13 55.247 0.018 . 1 . . . . 72 LEU CA . 15525 2 759 . 2 2 75 75 LEU CB C 13 42.654 0.068 . 1 . . . . 72 LEU CB . 15525 2 760 . 2 2 75 75 LEU CD1 C 13 24.843 0.064 . 2 . . . . 72 LEU CD1 . 15525 2 761 . 2 2 75 75 LEU CD2 C 13 23.724 0.051 . 2 . . . . 72 LEU CD2 . 15525 2 762 . 2 2 75 75 LEU CG C 13 27.284 0.033 . 1 . . . . 72 LEU CG . 15525 2 763 . 2 2 75 75 LEU N N 15 121.267 0.045 . 1 . . . . 72 LEU N . 15525 2 764 . 2 2 76 76 GLU H H 1 8.590 0.011 . 1 . . . . 73 GLU H . 15525 2 765 . 2 2 76 76 GLU HA H 1 4.090 0.004 . 1 . . . . 73 GLU HA . 15525 2 766 . 2 2 76 76 GLU HB2 H 1 1.920 0.003 . 2 . . . . 73 GLU HB2 . 15525 2 767 . 2 2 76 76 GLU HB3 H 1 1.920 0.003 . 2 . . . . 73 GLU HB3 . 15525 2 768 . 2 2 76 76 GLU HG2 H 1 2.198 0.005 . 2 . . . . 73 GLU HG2 . 15525 2 769 . 2 2 76 76 GLU HG3 H 1 2.198 0.005 . 2 . . . . 73 GLU HG3 . 15525 2 770 . 2 2 76 76 GLU C C 13 174.556 0.000 . 1 . . . . 73 GLU C . 15525 2 771 . 2 2 76 76 GLU CA C 13 57.427 0.023 . 1 . . . . 73 GLU CA . 15525 2 772 . 2 2 76 76 GLU CB C 13 29.728 0.069 . 1 . . . . 73 GLU CB . 15525 2 773 . 2 2 76 76 GLU CG C 13 36.224 0.070 . 1 . . . . 73 GLU CG . 15525 2 774 . 2 2 76 76 GLU N N 15 122.709 0.082 . 1 . . . . 73 GLU N . 15525 2 775 . 2 2 77 77 ASP H H 1 8.310 0.002 . 1 . . . . 74 ASP H . 15525 2 776 . 2 2 77 77 ASP HA H 1 4.236 0.003 . 1 . . . . 74 ASP HA . 15525 2 777 . 2 2 77 77 ASP HB2 H 1 2.170 0.007 . 2 . . . . 74 ASP HB2 . 15525 2 778 . 2 2 77 77 ASP HB3 H 1 1.889 0.014 . 2 . . . . 74 ASP HB3 . 15525 2 779 . 2 2 77 77 ASP C C 13 174.122 0.000 . 1 . . . . 74 ASP C . 15525 2 780 . 2 2 77 77 ASP CA C 13 55.364 0.034 . 1 . . . . 74 ASP CA . 15525 2 781 . 2 2 77 77 ASP CB C 13 40.681 0.120 . 1 . . . . 74 ASP CB . 15525 2 782 . 2 2 77 77 ASP N N 15 119.861 0.042 . 1 . . . . 74 ASP N . 15525 2 783 . 2 2 78 78 TYR H H 1 7.864 0.014 . 1 . . . . 75 TYR H . 15525 2 784 . 2 2 78 78 TYR HA H 1 4.822 0.004 . 1 . . . . 75 TYR HA . 15525 2 785 . 2 2 78 78 TYR HB2 H 1 3.142 0.009 . 2 . . . . 75 TYR HB2 . 15525 2 786 . 2 2 78 78 TYR HB3 H 1 2.670 0.009 . 2 . . . . 75 TYR HB3 . 15525 2 787 . 2 2 78 78 TYR HD1 H 1 7.036 0.004 . 3 . . . . 75 TYR HD1 . 15525 2 788 . 2 2 78 78 TYR HD2 H 1 7.036 0.004 . 3 . . . . 75 TYR HD2 . 15525 2 789 . 2 2 78 78 TYR HE1 H 1 6.734 0.003 . 3 . . . . 75 TYR HE1 . 15525 2 790 . 2 2 78 78 TYR HE2 H 1 6.734 0.003 . 3 . . . . 75 TYR HE2 . 15525 2 791 . 2 2 78 78 TYR C C 13 173.506 0.000 . 1 . . . . 75 TYR C . 15525 2 792 . 2 2 78 78 TYR CA C 13 55.741 0.000 . 1 . . . . 75 TYR CA . 15525 2 793 . 2 2 78 78 TYR CB C 13 37.839 0.051 . 1 . . . . 75 TYR CB . 15525 2 794 . 2 2 78 78 TYR CD1 C 13 132.803 0.063 . 3 . . . . 75 TYR CD1 . 15525 2 795 . 2 2 78 78 TYR CD2 C 13 132.803 0.063 . 3 . . . . 75 TYR CD2 . 15525 2 796 . 2 2 78 78 TYR CE1 C 13 118.240 0.044 . 3 . . . . 75 TYR CE1 . 15525 2 797 . 2 2 78 78 TYR CE2 C 13 118.240 0.044 . 3 . . . . 75 TYR CE2 . 15525 2 798 . 2 2 78 78 TYR N N 15 118.120 0.046 . 1 . . . . 75 TYR N . 15525 2 799 . 2 2 79 79 ALA H H 1 7.892 0.009 . 1 . . . . 76 ALA H . 15525 2 800 . 2 2 79 79 ALA HA H 1 3.733 0.007 . 1 . . . . 76 ALA HA . 15525 2 801 . 2 2 79 79 ALA HB1 H 1 1.343 0.004 . 1 . . . . 76 ALA HB1 . 15525 2 802 . 2 2 79 79 ALA HB2 H 1 1.343 0.004 . 1 . . . . 76 ALA HB2 . 15525 2 803 . 2 2 79 79 ALA HB3 H 1 1.343 0.004 . 1 . . . . 76 ALA HB3 . 15525 2 804 . 2 2 79 79 ALA C C 13 176.123 0.000 . 1 . . . . 76 ALA C . 15525 2 805 . 2 2 79 79 ALA CA C 13 55.439 0.032 . 1 . . . . 76 ALA CA . 15525 2 806 . 2 2 79 79 ALA CB C 13 18.800 0.071 . 1 . . . . 76 ALA CB . 15525 2 807 . 2 2 79 79 ALA N N 15 125.165 0.026 . 1 . . . . 76 ALA N . 15525 2 808 . 2 2 80 80 ALA H H 1 8.277 0.004 . 1 . . . . 77 ALA H . 15525 2 809 . 2 2 80 80 ALA HA H 1 3.972 0.003 . 1 . . . . 77 ALA HA . 15525 2 810 . 2 2 80 80 ALA HB1 H 1 1.226 0.009 . 1 . . . . 77 ALA HB1 . 15525 2 811 . 2 2 80 80 ALA HB2 H 1 1.226 0.009 . 1 . . . . 77 ALA HB2 . 15525 2 812 . 2 2 80 80 ALA HB3 H 1 1.226 0.009 . 1 . . . . 77 ALA HB3 . 15525 2 813 . 2 2 80 80 ALA CA C 13 54.872 0.027 . 1 . . . . 77 ALA CA . 15525 2 814 . 2 2 80 80 ALA CB C 13 18.152 0.080 . 1 . . . . 77 ALA CB . 15525 2 815 . 2 2 80 80 ALA N N 15 117.789 0.046 . 1 . . . . 77 ALA N . 15525 2 816 . 2 2 81 81 ILE H H 1 6.905 0.005 . 1 . . . . 78 ILE H . 15525 2 817 . 2 2 81 81 ILE HA H 1 3.588 0.012 . 1 . . . . 78 ILE HA . 15525 2 818 . 2 2 81 81 ILE HB H 1 1.606 0.006 . 1 . . . . 78 ILE HB . 15525 2 819 . 2 2 81 81 ILE HD11 H 1 0.420 0.005 . 1 . . . . 78 ILE HD11 . 15525 2 820 . 2 2 81 81 ILE HD12 H 1 0.420 0.005 . 1 . . . . 78 ILE HD12 . 15525 2 821 . 2 2 81 81 ILE HD13 H 1 0.420 0.005 . 1 . . . . 78 ILE HD13 . 15525 2 822 . 2 2 81 81 ILE HG12 H 1 1.120 0.011 . 2 . . . . 78 ILE HG12 . 15525 2 823 . 2 2 81 81 ILE HG13 H 1 0.627 0.011 . 2 . . . . 78 ILE HG13 . 15525 2 824 . 2 2 81 81 ILE HG21 H 1 0.411 0.005 . 1 . . . . 78 ILE HG21 . 15525 2 825 . 2 2 81 81 ILE HG22 H 1 0.411 0.005 . 1 . . . . 78 ILE HG22 . 15525 2 826 . 2 2 81 81 ILE HG23 H 1 0.411 0.005 . 1 . . . . 78 ILE HG23 . 15525 2 827 . 2 2 81 81 ILE C C 13 171.557 0.000 . 1 . . . . 78 ILE C . 15525 2 828 . 2 2 81 81 ILE CA C 13 62.858 0.059 . 1 . . . . 78 ILE CA . 15525 2 829 . 2 2 81 81 ILE CB C 13 37.762 0.036 . 1 . . . . 78 ILE CB . 15525 2 830 . 2 2 81 81 ILE CD1 C 13 12.535 0.056 . 1 . . . . 78 ILE CD1 . 15525 2 831 . 2 2 81 81 ILE CG1 C 13 27.347 0.045 . 1 . . . . 78 ILE CG1 . 15525 2 832 . 2 2 81 81 ILE CG2 C 13 17.308 0.072 . 1 . . . . 78 ILE CG2 . 15525 2 833 . 2 2 81 81 ILE N N 15 114.070 0.072 . 1 . . . . 78 ILE N . 15525 2 834 . 2 2 82 82 ARG H H 1 7.352 0.008 . 1 . . . . 79 ARG H . 15525 2 835 . 2 2 82 82 ARG HA H 1 3.691 0.008 . 1 . . . . 79 ARG HA . 15525 2 836 . 2 2 82 82 ARG HB2 H 1 1.670 0.006 . 2 . . . . 79 ARG HB2 . 15525 2 837 . 2 2 82 82 ARG HB3 H 1 1.575 0.030 . 2 . . . . 79 ARG HB3 . 15525 2 838 . 2 2 82 82 ARG HD2 H 1 3.051 0.008 . 2 . . . . 79 ARG HD2 . 15525 2 839 . 2 2 82 82 ARG HD3 H 1 3.101 0.003 . 2 . . . . 79 ARG HD3 . 15525 2 840 . 2 2 82 82 ARG HG2 H 1 0.782 0.002 . 2 . . . . 79 ARG HG2 . 15525 2 841 . 2 2 82 82 ARG HG3 H 1 1.420 0.015 . 2 . . . . 79 ARG HG3 . 15525 2 842 . 2 2 82 82 ARG C C 13 175.229 0.000 . 1 . . . . 79 ARG C . 15525 2 843 . 2 2 82 82 ARG CA C 13 60.275 0.062 . 1 . . . . 79 ARG CA . 15525 2 844 . 2 2 82 82 ARG CB C 13 30.174 0.022 . 1 . . . . 79 ARG CB . 15525 2 845 . 2 2 82 82 ARG CD C 13 43.605 0.020 . 1 . . . . 79 ARG CD . 15525 2 846 . 2 2 82 82 ARG CG C 13 26.581 0.078 . 1 . . . . 79 ARG CG . 15525 2 847 . 2 2 82 82 ARG N N 15 119.651 0.078 . 1 . . . . 79 ARG N . 15525 2 848 . 2 2 83 83 ASP H H 1 8.128 0.009 . 1 . . . . 80 ASP H . 15525 2 849 . 2 2 83 83 ASP HA H 1 3.964 0.006 . 1 . . . . 80 ASP HA . 15525 2 850 . 2 2 83 83 ASP HB2 H 1 2.465 0.003 . 2 . . . . 80 ASP HB2 . 15525 2 851 . 2 2 83 83 ASP HB3 H 1 2.619 0.005 . 2 . . . . 80 ASP HB3 . 15525 2 852 . 2 2 83 83 ASP C C 13 176.067 0.000 . 1 . . . . 80 ASP C . 15525 2 853 . 2 2 83 83 ASP CA C 13 57.678 0.010 . 1 . . . . 80 ASP CA . 15525 2 854 . 2 2 83 83 ASP CB C 13 39.791 0.053 . 1 . . . . 80 ASP CB . 15525 2 855 . 2 2 83 83 ASP N N 15 117.501 0.041 . 1 . . . . 80 ASP N . 15525 2 856 . 2 2 84 84 ASN H H 1 7.466 0.005 . 1 . . . . 81 ASN H . 15525 2 857 . 2 2 84 84 ASN HA H 1 4.381 0.008 . 1 . . . . 81 ASN HA . 15525 2 858 . 2 2 84 84 ASN HB2 H 1 3.028 0.002 . 1 . . . . 81 ASN HB2 . 15525 2 859 . 2 2 84 84 ASN HB3 H 1 3.028 0.002 . 1 . . . . 81 ASN HB3 . 15525 2 860 . 2 2 84 84 ASN HD21 H 1 10.238 0.003 . 1 . . . . 81 ASN HD21 . 15525 2 861 . 2 2 84 84 ASN HD22 H 1 6.336 0.004 . 1 . . . . 81 ASN HD22 . 15525 2 862 . 2 2 84 84 ASN C C 13 176.713 0.000 . 1 . . . . 81 ASN C . 15525 2 863 . 2 2 84 84 ASN CA C 13 55.073 0.075 . 1 . . . . 81 ASN CA . 15525 2 864 . 2 2 84 84 ASN CB C 13 37.819 0.037 . 1 . . . . 81 ASN CB . 15525 2 865 . 2 2 84 84 ASN N N 15 116.565 0.056 . 1 . . . . 81 ASN N . 15525 2 866 . 2 2 84 84 ASN ND2 N 15 114.030 0.085 . 1 . . . . 81 ASN ND2 . 15525 2 867 . 2 2 85 85 TYR H H 1 7.717 0.010 . 1 . . . . 82 TYR H . 15525 2 868 . 2 2 85 85 TYR HA H 1 4.502 0.004 . 1 . . . . 82 TYR HA . 15525 2 869 . 2 2 85 85 TYR HB2 H 1 2.805 0.005 . 2 . . . . 82 TYR HB2 . 15525 2 870 . 2 2 85 85 TYR HB3 H 1 3.016 0.015 . 2 . . . . 82 TYR HB3 . 15525 2 871 . 2 2 85 85 TYR HD1 H 1 6.751 0.006 . 3 . . . . 82 TYR HD1 . 15525 2 872 . 2 2 85 85 TYR HD2 H 1 6.751 0.006 . 3 . . . . 82 TYR HD2 . 15525 2 873 . 2 2 85 85 TYR HE1 H 1 6.371 0.011 . 3 . . . . 82 TYR HE1 . 15525 2 874 . 2 2 85 85 TYR HE2 H 1 6.371 0.011 . 3 . . . . 82 TYR HE2 . 15525 2 875 . 2 2 85 85 TYR HH H 1 10.846 0.021 . 1 . . . . 82 TYR HH . 15525 2 876 . 2 2 85 85 TYR C C 13 176.194 0.000 . 1 . . . . 82 TYR C . 15525 2 877 . 2 2 85 85 TYR CA C 13 61.166 0.032 . 1 . . . . 82 TYR CA . 15525 2 878 . 2 2 85 85 TYR CB C 13 37.844 0.094 . 1 . . . . 82 TYR CB . 15525 2 879 . 2 2 85 85 TYR CD1 C 13 132.920 0.142 . 3 . . . . 82 TYR CD1 . 15525 2 880 . 2 2 85 85 TYR CD2 C 13 132.920 0.142 . 3 . . . . 82 TYR CD2 . 15525 2 881 . 2 2 85 85 TYR CE1 C 13 119.303 0.167 . 3 . . . . 82 TYR CE1 . 15525 2 882 . 2 2 85 85 TYR CE2 C 13 119.303 0.167 . 3 . . . . 82 TYR CE2 . 15525 2 883 . 2 2 85 85 TYR N N 15 117.226 0.049 . 1 . . . . 82 TYR N . 15525 2 884 . 2 2 86 86 PHE H H 1 9.019 0.012 . 1 . . . . 83 PHE H . 15525 2 885 . 2 2 86 86 PHE HA H 1 4.688 0.007 . 1 . . . . 83 PHE HA . 15525 2 886 . 2 2 86 86 PHE HB2 H 1 3.085 0.007 . 2 . . . . 83 PHE HB2 . 15525 2 887 . 2 2 86 86 PHE HB3 H 1 3.648 0.002 . 2 . . . . 83 PHE HB3 . 15525 2 888 . 2 2 86 86 PHE HD1 H 1 7.098 0.008 . 3 . . . . 83 PHE HD1 . 15525 2 889 . 2 2 86 86 PHE HD2 H 1 7.098 0.008 . 3 . . . . 83 PHE HD2 . 15525 2 890 . 2 2 86 86 PHE HE1 H 1 7.307 0.008 . 3 . . . . 83 PHE HE1 . 15525 2 891 . 2 2 86 86 PHE HE2 H 1 7.307 0.008 . 3 . . . . 83 PHE HE2 . 15525 2 892 . 2 2 86 86 PHE CA C 13 54.852 0.000 . 1 . . . . 83 PHE CA . 15525 2 893 . 2 2 86 86 PHE CB C 13 37.790 0.114 . 1 . . . . 83 PHE CB . 15525 2 894 . 2 2 86 86 PHE CD1 C 13 129.195 0.106 . 3 . . . . 83 PHE CD1 . 15525 2 895 . 2 2 86 86 PHE CD2 C 13 129.195 0.106 . 3 . . . . 83 PHE CD2 . 15525 2 896 . 2 2 86 86 PHE CE1 C 13 131.430 0.067 . 3 . . . . 83 PHE CE1 . 15525 2 897 . 2 2 86 86 PHE CE2 C 13 131.430 0.067 . 3 . . . . 83 PHE CE2 . 15525 2 898 . 2 2 86 86 PHE N N 15 118.470 0.068 . 1 . . . . 83 PHE N . 15525 2 899 . 2 2 87 87 ARG H H 1 8.304 0.010 . 1 . . . . 84 ARG H . 15525 2 900 . 2 2 87 87 ARG HA H 1 3.808 0.005 . 1 . . . . 84 ARG HA . 15525 2 901 . 2 2 87 87 ARG HB2 H 1 1.938 0.009 . 2 . . . . 84 ARG HB2 . 15525 2 902 . 2 2 87 87 ARG HB3 H 1 1.938 0.009 . 2 . . . . 84 ARG HB3 . 15525 2 903 . 2 2 87 87 ARG HD2 H 1 3.260 0.006 . 1 . . . . 84 ARG HD2 . 15525 2 904 . 2 2 87 87 ARG HD3 H 1 3.260 0.006 . 1 . . . . 84 ARG HD3 . 15525 2 905 . 2 2 87 87 ARG HG2 H 1 1.705 0.004 . 2 . . . . 84 ARG HG2 . 15525 2 906 . 2 2 87 87 ARG HG3 H 1 1.874 0.005 . 2 . . . . 84 ARG HG3 . 15525 2 907 . 2 2 87 87 ARG C C 13 175.048 0.000 . 1 . . . . 84 ARG C . 15525 2 908 . 2 2 87 87 ARG CA C 13 60.218 0.041 . 1 . . . . 84 ARG CA . 15525 2 909 . 2 2 87 87 ARG CB C 13 30.326 0.078 . 1 . . . . 84 ARG CB . 15525 2 910 . 2 2 87 87 ARG CD C 13 43.468 0.019 . 1 . . . . 84 ARG CD . 15525 2 911 . 2 2 87 87 ARG CG C 13 28.178 0.097 . 1 . . . . 84 ARG CG . 15525 2 912 . 2 2 87 87 ARG N N 15 116.282 0.061 . 1 . . . . 84 ARG N . 15525 2 913 . 2 2 88 88 SER H H 1 7.594 0.006 . 1 . . . . 85 SER H . 15525 2 914 . 2 2 88 88 SER HA H 1 4.516 0.011 . 1 . . . . 85 SER HA . 15525 2 915 . 2 2 88 88 SER HB2 H 1 3.813 0.003 . 2 . . . . 85 SER HB2 . 15525 2 916 . 2 2 88 88 SER HB3 H 1 3.813 0.003 . 2 . . . . 85 SER HB3 . 15525 2 917 . 2 2 88 88 SER C C 13 173.158 0.000 . 1 . . . . 85 SER C . 15525 2 918 . 2 2 88 88 SER CA C 13 58.583 0.017 . 1 . . . . 85 SER CA . 15525 2 919 . 2 2 88 88 SER CB C 13 63.892 0.057 . 1 . . . . 85 SER CB . 15525 2 920 . 2 2 88 88 SER N N 15 109.588 0.054 . 1 . . . . 85 SER N . 15525 2 921 . 2 2 89 89 GLY H H 1 7.841 0.007 . 1 . . . . 86 GLY H . 15525 2 922 . 2 2 89 89 GLY HA2 H 1 3.729 0.007 . 2 . . . . 86 GLY HA2 . 15525 2 923 . 2 2 89 89 GLY HA3 H 1 3.274 0.005 . 2 . . . . 86 GLY HA3 . 15525 2 924 . 2 2 89 89 GLY CA C 13 46.087 0.054 . 1 . . . . 86 GLY CA . 15525 2 925 . 2 2 89 89 GLY N N 15 107.332 0.029 . 1 . . . . 86 GLY N . 15525 2 926 . 2 2 90 90 GLU H H 1 7.918 0.006 . 1 . . . . 87 GLU H . 15525 2 927 . 2 2 90 90 GLU HA H 1 4.518 0.008 . 1 . . . . 87 GLU HA . 15525 2 928 . 2 2 90 90 GLU HB2 H 1 1.939 0.002 . 1 . . . . 87 GLU HB2 . 15525 2 929 . 2 2 90 90 GLU HB3 H 1 1.939 0.002 . 1 . . . . 87 GLU HB3 . 15525 2 930 . 2 2 90 90 GLU HG2 H 1 2.263 0.005 . 1 . . . . 87 GLU HG2 . 15525 2 931 . 2 2 90 90 GLU HG3 H 1 2.263 0.005 . 1 . . . . 87 GLU HG3 . 15525 2 932 . 2 2 90 90 GLU C C 13 174.071 0.000 . 1 . . . . 87 GLU C . 15525 2 933 . 2 2 90 90 GLU CA C 13 55.935 0.059 . 1 . . . . 87 GLU CA . 15525 2 934 . 2 2 90 90 GLU CB C 13 30.539 0.060 . 1 . . . . 87 GLU CB . 15525 2 935 . 2 2 90 90 GLU CG C 13 36.247 0.005 . 1 . . . . 87 GLU CG . 15525 2 936 . 2 2 90 90 GLU N N 15 117.903 0.055 . 1 . . . . 87 GLU N . 15525 2 937 . 2 2 91 91 GLY H H 1 7.548 0.010 . 1 . . . . 88 GLY H . 15525 2 938 . 2 2 91 91 GLY HA2 H 1 3.182 0.010 . 2 . . . . 88 GLY HA2 . 15525 2 939 . 2 2 91 91 GLY HA3 H 1 4.985 0.002 . 2 . . . . 88 GLY HA3 . 15525 2 940 . 2 2 91 91 GLY C C 13 181.585 0.000 . 1 . . . . 88 GLY C . 15525 2 941 . 2 2 91 91 GLY CA C 13 45.469 0.112 . 1 . . . . 88 GLY CA . 15525 2 942 . 2 2 91 91 GLY N N 15 102.731 0.051 . 1 . . . . 88 GLY N . 15525 2 943 . 2 2 92 92 PHE H H 1 8.143 0.010 . 1 . . . . 89 PHE H . 15525 2 944 . 2 2 92 92 PHE HA H 1 5.167 0.010 . 1 . . . . 89 PHE HA . 15525 2 945 . 2 2 92 92 PHE HB2 H 1 2.432 0.006 . 2 . . . . 89 PHE HB2 . 15525 2 946 . 2 2 92 92 PHE HB3 H 1 2.677 0.005 . 2 . . . . 89 PHE HB3 . 15525 2 947 . 2 2 92 92 PHE HD1 H 1 6.858 0.009 . 3 . . . . 89 PHE HD1 . 15525 2 948 . 2 2 92 92 PHE HD2 H 1 6.858 0.009 . 3 . . . . 89 PHE HD2 . 15525 2 949 . 2 2 92 92 PHE HE1 H 1 6.720 0.007 . 3 . . . . 89 PHE HE1 . 15525 2 950 . 2 2 92 92 PHE HE2 H 1 6.720 0.007 . 3 . . . . 89 PHE HE2 . 15525 2 951 . 2 2 92 92 PHE HZ H 1 7.373 0.011 . 1 . . . . 89 PHE HZ . 15525 2 952 . 2 2 92 92 PHE C C 13 171.539 0.000 . 1 . . . . 89 PHE C . 15525 2 953 . 2 2 92 92 PHE CA C 13 57.111 0.058 . 1 . . . . 89 PHE CA . 15525 2 954 . 2 2 92 92 PHE CB C 13 42.639 0.147 . 1 . . . . 89 PHE CB . 15525 2 955 . 2 2 92 92 PHE CD1 C 13 132.231 0.082 . 3 . . . . 89 PHE CD1 . 15525 2 956 . 2 2 92 92 PHE CD2 C 13 132.231 0.082 . 3 . . . . 89 PHE CD2 . 15525 2 957 . 2 2 92 92 PHE CE1 C 13 130.657 0.159 . 3 . . . . 89 PHE CE1 . 15525 2 958 . 2 2 92 92 PHE CE2 C 13 130.657 0.159 . 3 . . . . 89 PHE CE2 . 15525 2 959 . 2 2 92 92 PHE CZ C 13 129.129 0.025 . 1 . . . . 89 PHE CZ . 15525 2 960 . 2 2 92 92 PHE N N 15 119.208 0.071 . 1 . . . . 89 PHE N . 15525 2 961 . 2 2 93 93 LEU H H 1 8.524 0.019 . 1 . . . . 90 LEU H . 15525 2 962 . 2 2 93 93 LEU HA H 1 4.781 0.006 . 1 . . . . 90 LEU HA . 15525 2 963 . 2 2 93 93 LEU HB2 H 1 1.907 0.009 . 2 . . . . 90 LEU HB2 . 15525 2 964 . 2 2 93 93 LEU HB3 H 1 0.679 0.010 . 2 . . . . 90 LEU HB3 . 15525 2 965 . 2 2 93 93 LEU HD11 H 1 0.452 0.003 . 2 . . . . 90 LEU HD11 . 15525 2 966 . 2 2 93 93 LEU HD12 H 1 0.452 0.003 . 2 . . . . 90 LEU HD12 . 15525 2 967 . 2 2 93 93 LEU HD13 H 1 0.452 0.003 . 2 . . . . 90 LEU HD13 . 15525 2 968 . 2 2 93 93 LEU HD21 H 1 -0.259 0.005 . 2 . . . . 90 LEU HD21 . 15525 2 969 . 2 2 93 93 LEU HD22 H 1 -0.259 0.005 . 2 . . . . 90 LEU HD22 . 15525 2 970 . 2 2 93 93 LEU HD23 H 1 -0.259 0.005 . 2 . . . . 90 LEU HD23 . 15525 2 971 . 2 2 93 93 LEU HG H 1 1.104 0.006 . 1 . . . . 90 LEU HG . 15525 2 972 . 2 2 93 93 LEU C C 13 171.230 0.000 . 1 . . . . 90 LEU C . 15525 2 973 . 2 2 93 93 LEU CA C 13 53.241 0.092 . 1 . . . . 90 LEU CA . 15525 2 974 . 2 2 93 93 LEU CB C 13 40.960 0.120 . 1 . . . . 90 LEU CB . 15525 2 975 . 2 2 93 93 LEU CD1 C 13 26.132 0.051 . 2 . . . . 90 LEU CD1 . 15525 2 976 . 2 2 93 93 LEU CD2 C 13 25.502 0.020 . 2 . . . . 90 LEU CD2 . 15525 2 977 . 2 2 93 93 LEU CG C 13 25.791 0.074 . 1 . . . . 90 LEU CG . 15525 2 978 . 2 2 93 93 LEU N N 15 123.152 0.093 . 1 . . . . 90 LEU N . 15525 2 979 . 2 2 94 94 LEU H H 1 8.483 0.005 . 1 . . . . 91 LEU H . 15525 2 980 . 2 2 94 94 LEU HA H 1 4.817 0.011 . 1 . . . . 91 LEU HA . 15525 2 981 . 2 2 94 94 LEU HB2 H 1 1.943 0.004 . 2 . . . . 91 LEU HB2 . 15525 2 982 . 2 2 94 94 LEU HB3 H 1 1.149 0.005 . 2 . . . . 91 LEU HB3 . 15525 2 983 . 2 2 94 94 LEU HD11 H 1 0.765 0.006 . 2 . . . . 91 LEU HD11 . 15525 2 984 . 2 2 94 94 LEU HD12 H 1 0.765 0.006 . 2 . . . . 91 LEU HD12 . 15525 2 985 . 2 2 94 94 LEU HD13 H 1 0.765 0.006 . 2 . . . . 91 LEU HD13 . 15525 2 986 . 2 2 94 94 LEU HD21 H 1 0.740 0.005 . 2 . . . . 91 LEU HD21 . 15525 2 987 . 2 2 94 94 LEU HD22 H 1 0.740 0.005 . 2 . . . . 91 LEU HD22 . 15525 2 988 . 2 2 94 94 LEU HD23 H 1 0.740 0.005 . 2 . . . . 91 LEU HD23 . 15525 2 989 . 2 2 94 94 LEU HG H 1 1.599 0.015 . 1 . . . . 91 LEU HG . 15525 2 990 . 2 2 94 94 LEU C C 13 171.377 0.000 . 1 . . . . 91 LEU C . 15525 2 991 . 2 2 94 94 LEU CA C 13 53.233 0.007 . 1 . . . . 91 LEU CA . 15525 2 992 . 2 2 94 94 LEU CB C 13 42.999 0.044 . 1 . . . . 91 LEU CB . 15525 2 993 . 2 2 94 94 LEU CD1 C 13 26.656 0.034 . 2 . . . . 91 LEU CD1 . 15525 2 994 . 2 2 94 94 LEU CD2 C 13 25.024 0.088 . 2 . . . . 91 LEU CD2 . 15525 2 995 . 2 2 94 94 LEU CG C 13 27.500 0.000 . 1 . . . . 91 LEU CG . 15525 2 996 . 2 2 94 94 LEU N N 15 127.056 0.017 . 1 . . . . 91 LEU N . 15525 2 997 . 2 2 95 95 VAL H H 1 9.198 0.005 . 1 . . . . 92 VAL H . 15525 2 998 . 2 2 95 95 VAL HA H 1 5.014 0.009 . 1 . . . . 92 VAL HA . 15525 2 999 . 2 2 95 95 VAL HB H 1 1.617 0.011 . 1 . . . . 92 VAL HB . 15525 2 1000 . 2 2 95 95 VAL HG11 H 1 0.667 0.007 . 2 . . . . 92 VAL HG11 . 15525 2 1001 . 2 2 95 95 VAL HG12 H 1 0.667 0.007 . 2 . . . . 92 VAL HG12 . 15525 2 1002 . 2 2 95 95 VAL HG13 H 1 0.667 0.007 . 2 . . . . 92 VAL HG13 . 15525 2 1003 . 2 2 95 95 VAL HG21 H 1 0.531 0.007 . 2 . . . . 92 VAL HG21 . 15525 2 1004 . 2 2 95 95 VAL HG22 H 1 0.531 0.007 . 2 . . . . 92 VAL HG22 . 15525 2 1005 . 2 2 95 95 VAL HG23 H 1 0.531 0.007 . 2 . . . . 92 VAL HG23 . 15525 2 1006 . 2 2 95 95 VAL C C 13 172.938 0.000 . 1 . . . . 92 VAL C . 15525 2 1007 . 2 2 95 95 VAL CA C 13 60.714 0.054 . 1 . . . . 92 VAL CA . 15525 2 1008 . 2 2 95 95 VAL CB C 13 33.264 0.093 . 1 . . . . 92 VAL CB . 15525 2 1009 . 2 2 95 95 VAL CG1 C 13 21.547 0.097 . 2 . . . . 92 VAL CG1 . 15525 2 1010 . 2 2 95 95 VAL CG2 C 13 22.538 0.016 . 2 . . . . 92 VAL CG2 . 15525 2 1011 . 2 2 95 95 VAL N N 15 125.804 0.017 . 1 . . . . 92 VAL N . 15525 2 1012 . 2 2 96 96 PHE H H 1 9.234 0.006 . 1 . . . . 93 PHE H . 15525 2 1013 . 2 2 96 96 PHE HA H 1 4.852 0.004 . 1 . . . . 93 PHE HA . 15525 2 1014 . 2 2 96 96 PHE HB2 H 1 3.475 0.014 . 2 . . . . 93 PHE HB2 . 15525 2 1015 . 2 2 96 96 PHE HB3 H 1 2.735 0.012 . 2 . . . . 93 PHE HB3 . 15525 2 1016 . 2 2 96 96 PHE HD1 H 1 7.200 0.007 . 3 . . . . 93 PHE HD1 . 15525 2 1017 . 2 2 96 96 PHE HD2 H 1 7.200 0.007 . 3 . . . . 93 PHE HD2 . 15525 2 1018 . 2 2 96 96 PHE HE1 H 1 7.420 0.009 . 3 . . . . 93 PHE HE1 . 15525 2 1019 . 2 2 96 96 PHE HE2 H 1 7.420 0.009 . 3 . . . . 93 PHE HE2 . 15525 2 1020 . 2 2 96 96 PHE HZ H 1 6.860 0.004 . 1 . . . . 93 PHE HZ . 15525 2 1021 . 2 2 96 96 PHE CA C 13 55.804 0.000 . 1 . . . . 93 PHE CA . 15525 2 1022 . 2 2 96 96 PHE CB C 13 40.640 0.050 . 1 . . . . 93 PHE CB . 15525 2 1023 . 2 2 96 96 PHE CD1 C 13 132.821 0.142 . 3 . . . . 93 PHE CD1 . 15525 2 1024 . 2 2 96 96 PHE CD2 C 13 132.821 0.142 . 3 . . . . 93 PHE CD2 . 15525 2 1025 . 2 2 96 96 PHE CE1 C 13 132.116 0.044 . 3 . . . . 93 PHE CE1 . 15525 2 1026 . 2 2 96 96 PHE CE2 C 13 132.116 0.044 . 3 . . . . 93 PHE CE2 . 15525 2 1027 . 2 2 96 96 PHE N N 15 122.578 0.053 . 1 . . . . 93 PHE N . 15525 2 1028 . 2 2 97 97 SER H H 1 8.777 0.009 . 1 . . . . 94 SER H . 15525 2 1029 . 2 2 97 97 SER HA H 1 4.856 0.004 . 1 . . . . 94 SER HA . 15525 2 1030 . 2 2 97 97 SER HB2 H 1 3.754 0.010 . 2 . . . . 94 SER HB2 . 15525 2 1031 . 2 2 97 97 SER HB3 H 1 3.497 0.010 . 2 . . . . 94 SER HB3 . 15525 2 1032 . 2 2 97 97 SER C C 13 175.150 0.000 . 1 . . . . 94 SER C . 15525 2 1033 . 2 2 97 97 SER CA C 13 54.359 0.000 . 1 . . . . 94 SER CA . 15525 2 1034 . 2 2 97 97 SER CB C 13 64.723 0.092 . 1 . . . . 94 SER CB . 15525 2 1035 . 2 2 97 97 SER N N 15 112.017 0.054 . 1 . . . . 94 SER N . 15525 2 1036 . 2 2 98 98 ILE H H 1 8.830 0.005 . 1 . . . . 95 ILE H . 15525 2 1037 . 2 2 98 98 ILE HA H 1 4.082 0.007 . 1 . . . . 95 ILE HA . 15525 2 1038 . 2 2 98 98 ILE HB H 1 2.001 0.008 . 1 . . . . 95 ILE HB . 15525 2 1039 . 2 2 98 98 ILE HD11 H 1 0.466 0.004 . 1 . . . . 95 ILE HD11 . 15525 2 1040 . 2 2 98 98 ILE HD12 H 1 0.466 0.004 . 1 . . . . 95 ILE HD12 . 15525 2 1041 . 2 2 98 98 ILE HD13 H 1 0.466 0.004 . 1 . . . . 95 ILE HD13 . 15525 2 1042 . 2 2 98 98 ILE HG12 H 1 1.047 0.009 . 2 . . . . 95 ILE HG12 . 15525 2 1043 . 2 2 98 98 ILE HG13 H 1 0.832 0.017 . 2 . . . . 95 ILE HG13 . 15525 2 1044 . 2 2 98 98 ILE HG21 H 1 0.764 0.006 . 1 . . . . 95 ILE HG21 . 15525 2 1045 . 2 2 98 98 ILE HG22 H 1 0.764 0.006 . 1 . . . . 95 ILE HG22 . 15525 2 1046 . 2 2 98 98 ILE HG23 H 1 0.764 0.006 . 1 . . . . 95 ILE HG23 . 15525 2 1047 . 2 2 98 98 ILE C C 13 174.520 0.000 . 1 . . . . 95 ILE C . 15525 2 1048 . 2 2 98 98 ILE CA C 13 64.406 0.060 . 1 . . . . 95 ILE CA . 15525 2 1049 . 2 2 98 98 ILE CB C 13 38.549 0.061 . 1 . . . . 95 ILE CB . 15525 2 1050 . 2 2 98 98 ILE CD1 C 13 15.476 0.043 . 1 . . . . 95 ILE CD1 . 15525 2 1051 . 2 2 98 98 ILE CG1 C 13 26.618 0.037 . 1 . . . . 95 ILE CG1 . 15525 2 1052 . 2 2 98 98 ILE CG2 C 13 18.643 0.060 . 1 . . . . 95 ILE CG2 . 15525 2 1053 . 2 2 98 98 ILE N N 15 121.564 0.075 . 1 . . . . 95 ILE N . 15525 2 1054 . 2 2 99 99 THR H H 1 8.164 0.005 . 1 . . . . 96 THR H . 15525 2 1055 . 2 2 99 99 THR HA H 1 4.475 0.009 . 1 . . . . 96 THR HA . 15525 2 1056 . 2 2 99 99 THR HB H 1 4.483 0.008 . 1 . . . . 96 THR HB . 15525 2 1057 . 2 2 99 99 THR HG1 H 1 4.708 0.016 . 1 . . . . 96 THR HG1 . 15525 2 1058 . 2 2 99 99 THR HG21 H 1 0.972 0.004 . 1 . . . . 96 THR HG21 . 15525 2 1059 . 2 2 99 99 THR HG22 H 1 0.972 0.004 . 1 . . . . 96 THR HG22 . 15525 2 1060 . 2 2 99 99 THR HG23 H 1 0.972 0.004 . 1 . . . . 96 THR HG23 . 15525 2 1061 . 2 2 99 99 THR C C 13 171.337 0.000 . 1 . . . . 96 THR C . 15525 2 1062 . 2 2 99 99 THR CA C 13 61.807 0.049 . 1 . . . . 96 THR CA . 15525 2 1063 . 2 2 99 99 THR CB C 13 68.784 0.098 . 1 . . . . 96 THR CB . 15525 2 1064 . 2 2 99 99 THR CG2 C 13 24.399 0.078 . 1 . . . . 96 THR CG2 . 15525 2 1065 . 2 2 99 99 THR N N 15 110.809 0.065 . 1 . . . . 96 THR N . 15525 2 1066 . 2 2 100 100 GLU H H 1 7.663 0.003 . 1 . . . . 97 GLU H . 15525 2 1067 . 2 2 100 100 GLU HA H 1 4.916 0.003 . 1 . . . . 97 GLU HA . 15525 2 1068 . 2 2 100 100 GLU HB2 H 1 1.774 0.004 . 2 . . . . 97 GLU HB2 . 15525 2 1069 . 2 2 100 100 GLU HB3 H 1 2.135 0.005 . 2 . . . . 97 GLU HB3 . 15525 2 1070 . 2 2 100 100 GLU HG2 H 1 2.159 0.005 . 2 . . . . 97 GLU HG2 . 15525 2 1071 . 2 2 100 100 GLU HG3 H 1 2.326 0.004 . 2 . . . . 97 GLU HG3 . 15525 2 1072 . 2 2 100 100 GLU C C 13 174.702 0.000 . 1 . . . . 97 GLU C . 15525 2 1073 . 2 2 100 100 GLU CA C 13 54.189 0.033 . 1 . . . . 97 GLU CA . 15525 2 1074 . 2 2 100 100 GLU CB C 13 32.168 0.064 . 1 . . . . 97 GLU CB . 15525 2 1075 . 2 2 100 100 GLU CG C 13 36.200 0.051 . 1 . . . . 97 GLU CG . 15525 2 1076 . 2 2 100 100 GLU N N 15 120.589 0.040 . 1 . . . . 97 GLU N . 15525 2 1077 . 2 2 101 101 HIS H H 1 10.030 0.009 . 1 . . . . 98 HIS H . 15525 2 1078 . 2 2 101 101 HIS HA H 1 3.957 0.005 . 1 . . . . 98 HIS HA . 15525 2 1079 . 2 2 101 101 HIS HB2 H 1 3.259 0.005 . 2 . . . . 98 HIS HB2 . 15525 2 1080 . 2 2 101 101 HIS HB3 H 1 3.282 0.008 . 2 . . . . 98 HIS HB3 . 15525 2 1081 . 2 2 101 101 HIS HD2 H 1 7.359 0.007 . 1 . . . . 98 HIS HD2 . 15525 2 1082 . 2 2 101 101 HIS HE1 H 1 8.273 0.004 . 1 . . . . 98 HIS HE1 . 15525 2 1083 . 2 2 101 101 HIS C C 13 174.976 0.000 . 1 . . . . 98 HIS C . 15525 2 1084 . 2 2 101 101 HIS CA C 13 61.858 0.053 . 1 . . . . 98 HIS CA . 15525 2 1085 . 2 2 101 101 HIS CB C 13 28.385 0.050 . 1 . . . . 98 HIS CB . 15525 2 1086 . 2 2 101 101 HIS CD2 C 13 120.178 0.036 . 1 . . . . 98 HIS CD2 . 15525 2 1087 . 2 2 101 101 HIS CE1 C 13 136.590 0.006 . 1 . . . . 98 HIS CE1 . 15525 2 1088 . 2 2 101 101 HIS N N 15 130.794 0.093 . 1 . . . . 98 HIS N . 15525 2 1089 . 2 2 102 102 GLU H H 1 9.854 0.005 . 1 . . . . 99 GLU H . 15525 2 1090 . 2 2 102 102 GLU HA H 1 4.284 0.003 . 1 . . . . 99 GLU HA . 15525 2 1091 . 2 2 102 102 GLU HB2 H 1 2.054 0.008 . 2 . . . . 99 GLU HB2 . 15525 2 1092 . 2 2 102 102 GLU HB3 H 1 2.054 0.008 . 2 . . . . 99 GLU HB3 . 15525 2 1093 . 2 2 102 102 GLU HG2 H 1 2.422 0.005 . 2 . . . . 99 GLU HG2 . 15525 2 1094 . 2 2 102 102 GLU HG3 H 1 2.422 0.005 . 2 . . . . 99 GLU HG3 . 15525 2 1095 . 2 2 102 102 GLU C C 13 176.421 0.000 . 1 . . . . 99 GLU C . 15525 2 1096 . 2 2 102 102 GLU CA C 13 59.643 0.061 . 1 . . . . 99 GLU CA . 15525 2 1097 . 2 2 102 102 GLU CB C 13 29.063 0.077 . 1 . . . . 99 GLU CB . 15525 2 1098 . 2 2 102 102 GLU CG C 13 36.817 0.047 . 1 . . . . 99 GLU CG . 15525 2 1099 . 2 2 102 102 GLU N N 15 118.497 0.043 . 1 . . . . 99 GLU N . 15525 2 1100 . 2 2 103 103 SER H H 1 7.567 0.006 . 1 . . . . 100 SER H . 15525 2 1101 . 2 2 103 103 SER HA H 1 4.496 0.008 . 1 . . . . 100 SER HA . 15525 2 1102 . 2 2 103 103 SER HB2 H 1 4.246 0.006 . 1 . . . . 100 SER HB2 . 15525 2 1103 . 2 2 103 103 SER HB3 H 1 4.246 0.006 . 1 . . . . 100 SER HB3 . 15525 2 1104 . 2 2 103 103 SER HG H 1 6.111 0.027 . 1 . . . . 100 SER HG . 15525 2 1105 . 2 2 103 103 SER C C 13 173.852 0.000 . 1 . . . . 100 SER C . 15525 2 1106 . 2 2 103 103 SER CA C 13 61.187 0.020 . 1 . . . . 100 SER CA . 15525 2 1107 . 2 2 103 103 SER CB C 13 63.651 0.022 . 1 . . . . 100 SER CB . 15525 2 1108 . 2 2 103 103 SER N N 15 115.501 0.047 . 1 . . . . 100 SER N . 15525 2 1109 . 2 2 104 104 PHE H H 1 7.236 0.007 . 1 . . . . 101 PHE H . 15525 2 1110 . 2 2 104 104 PHE HA H 1 3.826 0.006 . 1 . . . . 101 PHE HA . 15525 2 1111 . 2 2 104 104 PHE HB2 H 1 2.726 0.016 . 2 . . . . 101 PHE HB2 . 15525 2 1112 . 2 2 104 104 PHE HB3 H 1 2.421 0.011 . 2 . . . . 101 PHE HB3 . 15525 2 1113 . 2 2 104 104 PHE HD1 H 1 5.592 0.004 . 3 . . . . 101 PHE HD1 . 15525 2 1114 . 2 2 104 104 PHE HD2 H 1 5.592 0.004 . 3 . . . . 101 PHE HD2 . 15525 2 1115 . 2 2 104 104 PHE HE1 H 1 6.699 0.005 . 3 . . . . 101 PHE HE1 . 15525 2 1116 . 2 2 104 104 PHE HE2 H 1 6.699 0.005 . 3 . . . . 101 PHE HE2 . 15525 2 1117 . 2 2 104 104 PHE HZ H 1 6.572 0.006 . 1 . . . . 101 PHE HZ . 15525 2 1118 . 2 2 104 104 PHE C C 13 176.388 0.000 . 1 . . . . 101 PHE C . 15525 2 1119 . 2 2 104 104 PHE CA C 13 59.795 0.043 . 1 . . . . 101 PHE CA . 15525 2 1120 . 2 2 104 104 PHE CB C 13 39.328 0.075 . 1 . . . . 101 PHE CB . 15525 2 1121 . 2 2 104 104 PHE CD1 C 13 131.323 0.037 . 3 . . . . 101 PHE CD1 . 15525 2 1122 . 2 2 104 104 PHE CD2 C 13 131.323 0.037 . 3 . . . . 101 PHE CD2 . 15525 2 1123 . 2 2 104 104 PHE CE1 C 13 130.152 0.059 . 3 . . . . 101 PHE CE1 . 15525 2 1124 . 2 2 104 104 PHE CE2 C 13 130.152 0.059 . 3 . . . . 101 PHE CE2 . 15525 2 1125 . 2 2 104 104 PHE CZ C 13 128.409 0.042 . 1 . . . . 101 PHE CZ . 15525 2 1126 . 2 2 104 104 PHE N N 15 125.003 0.073 . 1 . . . . 101 PHE N . 15525 2 1127 . 2 2 105 105 THR H H 1 8.326 0.005 . 1 . . . . 102 THR H . 15525 2 1128 . 2 2 105 105 THR HA H 1 3.480 0.003 . 1 . . . . 102 THR HA . 15525 2 1129 . 2 2 105 105 THR HB H 1 4.151 0.004 . 1 . . . . 102 THR HB . 15525 2 1130 . 2 2 105 105 THR HG21 H 1 1.140 0.004 . 1 . . . . 102 THR HG21 . 15525 2 1131 . 2 2 105 105 THR HG22 H 1 1.140 0.004 . 1 . . . . 102 THR HG22 . 15525 2 1132 . 2 2 105 105 THR HG23 H 1 1.140 0.004 . 1 . . . . 102 THR HG23 . 15525 2 1133 . 2 2 105 105 THR C C 13 175.354 0.000 . 1 . . . . 102 THR C . 15525 2 1134 . 2 2 105 105 THR CA C 13 66.056 0.034 . 1 . . . . 102 THR CA . 15525 2 1135 . 2 2 105 105 THR CB C 13 67.750 0.060 . 1 . . . . 102 THR CB . 15525 2 1136 . 2 2 105 105 THR CG2 C 13 22.618 0.032 . 1 . . . . 102 THR CG2 . 15525 2 1137 . 2 2 105 105 THR N N 15 117.946 0.039 . 1 . . . . 102 THR N . 15525 2 1138 . 2 2 106 106 ALA H H 1 7.664 0.008 . 1 . . . . 103 ALA H . 15525 2 1139 . 2 2 106 106 ALA HA H 1 4.135 0.009 . 1 . . . . 103 ALA HA . 15525 2 1140 . 2 2 106 106 ALA HB1 H 1 1.595 0.004 . 1 . . . . 103 ALA HB1 . 15525 2 1141 . 2 2 106 106 ALA HB2 H 1 1.595 0.004 . 1 . . . . 103 ALA HB2 . 15525 2 1142 . 2 2 106 106 ALA HB3 H 1 1.595 0.004 . 1 . . . . 103 ALA HB3 . 15525 2 1143 . 2 2 106 106 ALA C C 13 177.214 0.000 . 1 . . . . 103 ALA C . 15525 2 1144 . 2 2 106 106 ALA CA C 13 54.723 0.076 . 1 . . . . 103 ALA CA . 15525 2 1145 . 2 2 106 106 ALA CB C 13 18.554 0.049 . 1 . . . . 103 ALA CB . 15525 2 1146 . 2 2 106 106 ALA N N 15 121.808 0.040 . 1 . . . . 103 ALA N . 15525 2 1147 . 2 2 107 107 THR H H 1 7.447 0.004 . 1 . . . . 104 THR H . 15525 2 1148 . 2 2 107 107 THR HA H 1 4.102 0.017 . 1 . . . . 104 THR HA . 15525 2 1149 . 2 2 107 107 THR HB H 1 4.230 0.004 . 1 . . . . 104 THR HB . 15525 2 1150 . 2 2 107 107 THR HG1 H 1 4.437 0.007 . 1 . . . . 104 THR HG1 . 15525 2 1151 . 2 2 107 107 THR HG21 H 1 1.597 0.003 . 1 . . . . 104 THR HG21 . 15525 2 1152 . 2 2 107 107 THR HG22 H 1 1.597 0.003 . 1 . . . . 104 THR HG22 . 15525 2 1153 . 2 2 107 107 THR HG23 H 1 1.597 0.003 . 1 . . . . 104 THR HG23 . 15525 2 1154 . 2 2 107 107 THR C C 13 174.084 0.000 . 1 . . . . 104 THR C . 15525 2 1155 . 2 2 107 107 THR CA C 13 66.678 0.030 . 1 . . . . 104 THR CA . 15525 2 1156 . 2 2 107 107 THR CB C 13 68.994 0.034 . 1 . . . . 104 THR CB . 15525 2 1157 . 2 2 107 107 THR CG2 C 13 23.016 0.042 . 1 . . . . 104 THR CG2 . 15525 2 1158 . 2 2 107 107 THR N N 15 108.241 0.064 . 1 . . . . 104 THR N . 15525 2 1159 . 2 2 108 108 ALA H H 1 7.040 0.003 . 1 . . . . 105 ALA H . 15525 2 1160 . 2 2 108 108 ALA HA H 1 4.100 0.004 . 1 . . . . 105 ALA HA . 15525 2 1161 . 2 2 108 108 ALA HB1 H 1 1.588 0.004 . 1 . . . . 105 ALA HB1 . 15525 2 1162 . 2 2 108 108 ALA HB2 H 1 1.588 0.004 . 1 . . . . 105 ALA HB2 . 15525 2 1163 . 2 2 108 108 ALA HB3 H 1 1.588 0.004 . 1 . . . . 105 ALA HB3 . 15525 2 1164 . 2 2 108 108 ALA C C 13 177.651 0.000 . 1 . . . . 105 ALA C . 15525 2 1165 . 2 2 108 108 ALA CA C 13 55.468 0.038 . 1 . . . . 105 ALA CA . 15525 2 1166 . 2 2 108 108 ALA CB C 13 18.544 0.053 . 1 . . . . 105 ALA CB . 15525 2 1167 . 2 2 108 108 ALA N N 15 122.366 0.046 . 1 . . . . 105 ALA N . 15525 2 1168 . 2 2 109 109 GLU H H 1 7.289 0.004 . 1 . . . . 106 GLU H . 15525 2 1169 . 2 2 109 109 GLU HA H 1 4.013 0.007 . 1 . . . . 106 GLU HA . 15525 2 1170 . 2 2 109 109 GLU HB2 H 1 1.916 0.007 . 2 . . . . 106 GLU HB2 . 15525 2 1171 . 2 2 109 109 GLU HB3 H 1 1.800 0.008 . 2 . . . . 106 GLU HB3 . 15525 2 1172 . 2 2 109 109 GLU HG2 H 1 2.061 0.002 . 2 . . . . 106 GLU HG2 . 15525 2 1173 . 2 2 109 109 GLU HG3 H 1 2.061 0.002 . 2 . . . . 106 GLU HG3 . 15525 2 1174 . 2 2 109 109 GLU C C 13 177.045 0.000 . 1 . . . . 106 GLU C . 15525 2 1175 . 2 2 109 109 GLU CA C 13 58.561 0.035 . 1 . . . . 106 GLU CA . 15525 2 1176 . 2 2 109 109 GLU CB C 13 28.887 0.059 . 1 . . . . 106 GLU CB . 15525 2 1177 . 2 2 109 109 GLU CG C 13 35.831 0.045 . 1 . . . . 106 GLU CG . 15525 2 1178 . 2 2 109 109 GLU N N 15 118.635 0.033 . 1 . . . . 106 GLU N . 15525 2 1179 . 2 2 110 110 PHE H H 1 7.567 0.004 . 1 . . . . 107 PHE H . 15525 2 1180 . 2 2 110 110 PHE HA H 1 4.201 0.007 . 1 . . . . 107 PHE HA . 15525 2 1181 . 2 2 110 110 PHE HB2 H 1 2.767 0.003 . 2 . . . . 107 PHE HB2 . 15525 2 1182 . 2 2 110 110 PHE HB3 H 1 2.767 0.003 . 2 . . . . 107 PHE HB3 . 15525 2 1183 . 2 2 110 110 PHE HD1 H 1 7.150 0.010 . 3 . . . . 107 PHE HD1 . 15525 2 1184 . 2 2 110 110 PHE HD2 H 1 7.150 0.010 . 3 . . . . 107 PHE HD2 . 15525 2 1185 . 2 2 110 110 PHE HE1 H 1 7.343 0.001 . 3 . . . . 107 PHE HE1 . 15525 2 1186 . 2 2 110 110 PHE HE2 H 1 7.343 0.001 . 3 . . . . 107 PHE HE2 . 15525 2 1187 . 2 2 110 110 PHE C C 13 175.540 0.000 . 1 . . . . 107 PHE C . 15525 2 1188 . 2 2 110 110 PHE CA C 13 61.950 0.027 . 1 . . . . 107 PHE CA . 15525 2 1189 . 2 2 110 110 PHE CB C 13 39.666 0.056 . 1 . . . . 107 PHE CB . 15525 2 1190 . 2 2 110 110 PHE CD1 C 13 131.298 0.048 . 3 . . . . 107 PHE CD1 . 15525 2 1191 . 2 2 110 110 PHE CD2 C 13 131.298 0.048 . 3 . . . . 107 PHE CD2 . 15525 2 1192 . 2 2 110 110 PHE CE1 C 13 131.456 0.034 . 3 . . . . 107 PHE CE1 . 15525 2 1193 . 2 2 110 110 PHE CE2 C 13 131.456 0.034 . 3 . . . . 107 PHE CE2 . 15525 2 1194 . 2 2 110 110 PHE N N 15 117.428 0.029 . 1 . . . . 107 PHE N . 15525 2 1195 . 2 2 111 111 ARG H H 1 8.247 0.006 . 1 . . . . 108 ARG H . 15525 2 1196 . 2 2 111 111 ARG HA H 1 3.365 0.007 . 1 . . . . 108 ARG HA . 15525 2 1197 . 2 2 111 111 ARG HB2 H 1 0.837 0.016 . 2 . . . . 108 ARG HB2 . 15525 2 1198 . 2 2 111 111 ARG HB3 H 1 0.839 0.010 . 2 . . . . 108 ARG HB3 . 15525 2 1199 . 2 2 111 111 ARG HD2 H 1 0.875 0.005 . 2 . . . . 108 ARG HD2 . 15525 2 1200 . 2 2 111 111 ARG HD3 H 1 1.115 0.004 . 2 . . . . 108 ARG HD3 . 15525 2 1201 . 2 2 111 111 ARG HE H 1 6.777 0.004 . 1 . . . . 108 ARG HE . 15525 2 1202 . 2 2 111 111 ARG HG2 H 1 0.542 0.008 . 2 . . . . 108 ARG HG2 . 15525 2 1203 . 2 2 111 111 ARG HG3 H 1 1.190 0.011 . 2 . . . . 108 ARG HG3 . 15525 2 1204 . 2 2 111 111 ARG HH11 H 1 6.381 0.007 . 1 . . . . 108 ARG HH11 . 15525 2 1205 . 2 2 111 111 ARG HH12 H 1 6.388 0.000 . 1 . . . . 108 ARG HH12 . 15525 2 1206 . 2 2 111 111 ARG HH21 H 1 6.381 0.007 . 1 . . . . 108 ARG HH21 . 15525 2 1207 . 2 2 111 111 ARG HH22 H 1 6.388 0.000 . 1 . . . . 108 ARG HH22 . 15525 2 1208 . 2 2 111 111 ARG C C 13 174.443 0.000 . 1 . . . . 108 ARG C . 15525 2 1209 . 2 2 111 111 ARG CA C 13 59.999 0.069 . 1 . . . . 108 ARG CA . 15525 2 1210 . 2 2 111 111 ARG CB C 13 28.293 0.036 . 1 . . . . 108 ARG CB . 15525 2 1211 . 2 2 111 111 ARG CD C 13 41.427 0.059 . 1 . . . . 108 ARG CD . 15525 2 1212 . 2 2 111 111 ARG CG C 13 27.818 0.014 . 1 . . . . 108 ARG CG . 15525 2 1213 . 2 2 111 111 ARG N N 15 117.377 0.017 . 1 . . . . 108 ARG N . 15525 2 1214 . 2 2 111 111 ARG NE N 15 82.749 0.026 . 1 . . . . 108 ARG NE . 15525 2 1215 . 2 2 112 112 GLU H H 1 7.460 0.008 . 1 . . . . 109 GLU H . 15525 2 1216 . 2 2 112 112 GLU HA H 1 3.662 0.005 . 1 . . . . 109 GLU HA . 15525 2 1217 . 2 2 112 112 GLU HB2 H 1 2.016 0.018 . 2 . . . . 109 GLU HB2 . 15525 2 1218 . 2 2 112 112 GLU HB3 H 1 1.965 0.008 . 2 . . . . 109 GLU HB3 . 15525 2 1219 . 2 2 112 112 GLU HG2 H 1 2.196 0.017 . 2 . . . . 109 GLU HG2 . 15525 2 1220 . 2 2 112 112 GLU HG3 H 1 2.249 0.010 . 2 . . . . 109 GLU HG3 . 15525 2 1221 . 2 2 112 112 GLU C C 13 176.680 0.000 . 1 . . . . 109 GLU C . 15525 2 1222 . 2 2 112 112 GLU CA C 13 59.368 0.035 . 1 . . . . 109 GLU CA . 15525 2 1223 . 2 2 112 112 GLU CB C 13 29.003 0.018 . 1 . . . . 109 GLU CB . 15525 2 1224 . 2 2 112 112 GLU CG C 13 35.970 0.035 . 1 . . . . 109 GLU CG . 15525 2 1225 . 2 2 112 112 GLU N N 15 116.614 0.041 . 1 . . . . 109 GLU N . 15525 2 1226 . 2 2 113 113 GLN H H 1 7.631 0.011 . 1 . . . . 110 GLN H . 15525 2 1227 . 2 2 113 113 GLN HA H 1 3.939 0.007 . 1 . . . . 110 GLN HA . 15525 2 1228 . 2 2 113 113 GLN HB2 H 1 2.332 0.009 . 2 . . . . 110 GLN HB2 . 15525 2 1229 . 2 2 113 113 GLN HB3 H 1 2.181 0.005 . 2 . . . . 110 GLN HB3 . 15525 2 1230 . 2 2 113 113 GLN HE21 H 1 6.363 0.005 . 1 . . . . 110 GLN HE21 . 15525 2 1231 . 2 2 113 113 GLN HE22 H 1 7.463 0.006 . 1 . . . . 110 GLN HE22 . 15525 2 1232 . 2 2 113 113 GLN HG2 H 1 2.429 0.013 . 2 . . . . 110 GLN HG2 . 15525 2 1233 . 2 2 113 113 GLN HG3 H 1 2.499 0.007 . 2 . . . . 110 GLN HG3 . 15525 2 1234 . 2 2 113 113 GLN C C 13 176.171 0.000 . 1 . . . . 110 GLN C . 15525 2 1235 . 2 2 113 113 GLN CA C 13 58.991 0.089 . 1 . . . . 110 GLN CA . 15525 2 1236 . 2 2 113 113 GLN CB C 13 27.863 0.019 . 1 . . . . 110 GLN CB . 15525 2 1237 . 2 2 113 113 GLN CG C 13 33.047 0.045 . 1 . . . . 110 GLN CG . 15525 2 1238 . 2 2 113 113 GLN N N 15 118.243 0.091 . 1 . . . . 110 GLN N . 15525 2 1239 . 2 2 113 113 GLN NE2 N 15 110.349 0.080 . 1 . . . . 110 GLN NE2 . 15525 2 1240 . 2 2 114 114 ILE H H 1 7.780 0.007 . 1 . . . . 111 ILE H . 15525 2 1241 . 2 2 114 114 ILE HA H 1 2.987 0.007 . 1 . . . . 111 ILE HA . 15525 2 1242 . 2 2 114 114 ILE HB H 1 1.279 0.010 . 1 . . . . 111 ILE HB . 15525 2 1243 . 2 2 114 114 ILE HD11 H 1 -0.041 0.004 . 1 . . . . 111 ILE HD11 . 15525 2 1244 . 2 2 114 114 ILE HD12 H 1 -0.041 0.004 . 1 . . . . 111 ILE HD12 . 15525 2 1245 . 2 2 114 114 ILE HD13 H 1 -0.041 0.004 . 1 . . . . 111 ILE HD13 . 15525 2 1246 . 2 2 114 114 ILE HG12 H 1 1.188 0.011 . 2 . . . . 111 ILE HG12 . 15525 2 1247 . 2 2 114 114 ILE HG13 H 1 -0.673 0.010 . 2 . . . . 111 ILE HG13 . 15525 2 1248 . 2 2 114 114 ILE HG21 H 1 -0.441 0.005 . 1 . . . . 111 ILE HG21 . 15525 2 1249 . 2 2 114 114 ILE HG22 H 1 -0.441 0.005 . 1 . . . . 111 ILE HG22 . 15525 2 1250 . 2 2 114 114 ILE HG23 H 1 -0.441 0.005 . 1 . . . . 111 ILE HG23 . 15525 2 1251 . 2 2 114 114 ILE C C 13 174.643 0.000 . 1 . . . . 111 ILE C . 15525 2 1252 . 2 2 114 114 ILE CA C 13 65.761 0.094 . 1 . . . . 111 ILE CA . 15525 2 1253 . 2 2 114 114 ILE CB C 13 37.972 0.054 . 1 . . . . 111 ILE CB . 15525 2 1254 . 2 2 114 114 ILE CD1 C 13 14.796 0.038 . 1 . . . . 111 ILE CD1 . 15525 2 1255 . 2 2 114 114 ILE CG1 C 13 28.054 0.101 . 1 . . . . 111 ILE CG1 . 15525 2 1256 . 2 2 114 114 ILE CG2 C 13 15.984 0.037 . 1 . . . . 111 ILE CG2 . 15525 2 1257 . 2 2 114 114 ILE N N 15 120.104 0.037 . 1 . . . . 111 ILE N . 15525 2 1258 . 2 2 115 115 LEU H H 1 7.876 0.011 . 1 . . . . 112 LEU H . 15525 2 1259 . 2 2 115 115 LEU HA H 1 3.532 0.005 . 1 . . . . 112 LEU HA . 15525 2 1260 . 2 2 115 115 LEU HB2 H 1 1.511 0.008 . 2 . . . . 112 LEU HB2 . 15525 2 1261 . 2 2 115 115 LEU HB3 H 1 1.283 0.006 . 2 . . . . 112 LEU HB3 . 15525 2 1262 . 2 2 115 115 LEU HD11 H 1 0.533 0.006 . 2 . . . . 112 LEU HD11 . 15525 2 1263 . 2 2 115 115 LEU HD12 H 1 0.533 0.006 . 2 . . . . 112 LEU HD12 . 15525 2 1264 . 2 2 115 115 LEU HD13 H 1 0.533 0.006 . 2 . . . . 112 LEU HD13 . 15525 2 1265 . 2 2 115 115 LEU HD21 H 1 0.481 0.008 . 2 . . . . 112 LEU HD21 . 15525 2 1266 . 2 2 115 115 LEU HD22 H 1 0.481 0.008 . 2 . . . . 112 LEU HD22 . 15525 2 1267 . 2 2 115 115 LEU HD23 H 1 0.481 0.008 . 2 . . . . 112 LEU HD23 . 15525 2 1268 . 2 2 115 115 LEU HG H 1 1.511 0.005 . 1 . . . . 112 LEU HG . 15525 2 1269 . 2 2 115 115 LEU C C 13 175.400 0.000 . 1 . . . . 112 LEU C . 15525 2 1270 . 2 2 115 115 LEU CA C 13 57.887 0.018 . 1 . . . . 112 LEU CA . 15525 2 1271 . 2 2 115 115 LEU CB C 13 40.733 0.038 . 1 . . . . 112 LEU CB . 15525 2 1272 . 2 2 115 115 LEU CD1 C 13 22.499 0.017 . 2 . . . . 112 LEU CD1 . 15525 2 1273 . 2 2 115 115 LEU CD2 C 13 24.191 0.031 . 2 . . . . 112 LEU CD2 . 15525 2 1274 . 2 2 115 115 LEU CG C 13 27.425 0.059 . 1 . . . . 112 LEU CG . 15525 2 1275 . 2 2 115 115 LEU N N 15 116.747 0.089 . 1 . . . . 112 LEU N . 15525 2 1276 . 2 2 116 116 ARG H H 1 7.664 0.005 . 1 . . . . 113 ARG H . 15525 2 1277 . 2 2 116 116 ARG HA H 1 3.993 0.004 . 1 . . . . 113 ARG HA . 15525 2 1278 . 2 2 116 116 ARG HB2 H 1 1.837 0.002 . 2 . . . . 113 ARG HB2 . 15525 2 1279 . 2 2 116 116 ARG HB3 H 1 1.837 0.002 . 2 . . . . 113 ARG HB3 . 15525 2 1280 . 2 2 116 116 ARG HD2 H 1 3.154 0.005 . 2 . . . . 113 ARG HD2 . 15525 2 1281 . 2 2 116 116 ARG HD3 H 1 3.154 0.005 . 2 . . . . 113 ARG HD3 . 15525 2 1282 . 2 2 116 116 ARG HG2 H 1 1.620 0.007 . 2 . . . . 113 ARG HG2 . 15525 2 1283 . 2 2 116 116 ARG HG3 H 1 1.512 0.008 . 2 . . . . 113 ARG HG3 . 15525 2 1284 . 2 2 116 116 ARG C C 13 176.719 0.000 . 1 . . . . 113 ARG C . 15525 2 1285 . 2 2 116 116 ARG CA C 13 58.995 0.128 . 1 . . . . 113 ARG CA . 15525 2 1286 . 2 2 116 116 ARG CB C 13 30.315 0.061 . 1 . . . . 113 ARG CB . 15525 2 1287 . 2 2 116 116 ARG CD C 13 43.480 0.105 . 1 . . . . 113 ARG CD . 15525 2 1288 . 2 2 116 116 ARG CG C 13 27.316 0.046 . 1 . . . . 113 ARG CG . 15525 2 1289 . 2 2 116 116 ARG N N 15 117.116 0.041 . 1 . . . . 113 ARG N . 15525 2 1290 . 2 2 117 117 VAL H H 1 7.717 0.006 . 1 . . . . 114 VAL H . 15525 2 1291 . 2 2 117 117 VAL HA H 1 3.975 0.002 . 1 . . . . 114 VAL HA . 15525 2 1292 . 2 2 117 117 VAL HB H 1 2.192 0.005 . 1 . . . . 114 VAL HB . 15525 2 1293 . 2 2 117 117 VAL HG11 H 1 1.170 0.005 . 2 . . . . 114 VAL HG11 . 15525 2 1294 . 2 2 117 117 VAL HG12 H 1 1.170 0.005 . 2 . . . . 114 VAL HG12 . 15525 2 1295 . 2 2 117 117 VAL HG13 H 1 1.170 0.005 . 2 . . . . 114 VAL HG13 . 15525 2 1296 . 2 2 117 117 VAL HG21 H 1 1.077 0.011 . 2 . . . . 114 VAL HG21 . 15525 2 1297 . 2 2 117 117 VAL HG22 H 1 1.077 0.011 . 2 . . . . 114 VAL HG22 . 15525 2 1298 . 2 2 117 117 VAL HG23 H 1 1.077 0.011 . 2 . . . . 114 VAL HG23 . 15525 2 1299 . 2 2 117 117 VAL C C 13 175.351 0.000 . 1 . . . . 114 VAL C . 15525 2 1300 . 2 2 117 117 VAL CA C 13 64.532 0.077 . 1 . . . . 114 VAL CA . 15525 2 1301 . 2 2 117 117 VAL CB C 13 31.995 0.054 . 1 . . . . 114 VAL CB . 15525 2 1302 . 2 2 117 117 VAL CG1 C 13 22.184 0.065 . 2 . . . . 114 VAL CG1 . 15525 2 1303 . 2 2 117 117 VAL CG2 C 13 21.816 0.079 . 2 . . . . 114 VAL CG2 . 15525 2 1304 . 2 2 117 117 VAL N N 15 116.195 0.071 . 1 . . . . 114 VAL N . 15525 2 1305 . 2 2 118 118 LYS H H 1 7.854 0.007 . 1 . . . . 115 LYS H . 15525 2 1306 . 2 2 118 118 LYS HA H 1 4.569 0.010 . 1 . . . . 115 LYS HA . 15525 2 1307 . 2 2 118 118 LYS HB2 H 1 1.639 0.009 . 2 . . . . 115 LYS HB2 . 15525 2 1308 . 2 2 118 118 LYS HB3 H 1 1.936 0.009 . 2 . . . . 115 LYS HB3 . 15525 2 1309 . 2 2 118 118 LYS HD2 H 1 1.776 0.014 . 2 . . . . 115 LYS HD2 . 15525 2 1310 . 2 2 118 118 LYS HD3 H 1 1.802 0.010 . 2 . . . . 115 LYS HD3 . 15525 2 1311 . 2 2 118 118 LYS HE2 H 1 3.088 0.008 . 2 . . . . 115 LYS HE2 . 15525 2 1312 . 2 2 118 118 LYS HE3 H 1 3.222 0.005 . 2 . . . . 115 LYS HE3 . 15525 2 1313 . 2 2 118 118 LYS HG2 H 1 1.453 0.004 . 2 . . . . 115 LYS HG2 . 15525 2 1314 . 2 2 118 118 LYS HG3 H 1 1.282 0.016 . 2 . . . . 115 LYS HG3 . 15525 2 1315 . 2 2 118 118 LYS C C 13 174.194 0.000 . 1 . . . . 115 LYS C . 15525 2 1316 . 2 2 118 118 LYS CA C 13 54.210 0.002 . 1 . . . . 115 LYS CA . 15525 2 1317 . 2 2 118 118 LYS CB C 13 30.360 0.082 . 1 . . . . 115 LYS CB . 15525 2 1318 . 2 2 118 118 LYS CD C 13 28.473 0.059 . 1 . . . . 115 LYS CD . 15525 2 1319 . 2 2 118 118 LYS CE C 13 42.110 0.145 . 1 . . . . 115 LYS CE . 15525 2 1320 . 2 2 118 118 LYS CG C 13 24.038 0.076 . 1 . . . . 115 LYS CG . 15525 2 1321 . 2 2 118 118 LYS N N 15 120.034 0.028 . 1 . . . . 115 LYS N . 15525 2 1322 . 2 2 119 119 ALA H H 1 7.011 0.004 . 1 . . . . 116 ALA H . 15525 2 1323 . 2 2 119 119 ALA HA H 1 4.037 0.002 . 1 . . . . 116 ALA HA . 15525 2 1324 . 2 2 119 119 ALA HB1 H 1 1.420 0.002 . 1 . . . . 116 ALA HB1 . 15525 2 1325 . 2 2 119 119 ALA HB2 H 1 1.420 0.002 . 1 . . . . 116 ALA HB2 . 15525 2 1326 . 2 2 119 119 ALA HB3 H 1 1.420 0.002 . 1 . . . . 116 ALA HB3 . 15525 2 1327 . 2 2 119 119 ALA C C 13 175.986 0.000 . 1 . . . . 116 ALA C . 15525 2 1328 . 2 2 119 119 ALA CA C 13 54.613 0.079 . 1 . . . . 116 ALA CA . 15525 2 1329 . 2 2 119 119 ALA CB C 13 18.957 0.013 . 1 . . . . 116 ALA CB . 15525 2 1330 . 2 2 119 119 ALA N N 15 120.860 0.029 . 1 . . . . 116 ALA N . 15525 2 1331 . 2 2 120 120 GLU H H 1 8.737 0.004 . 1 . . . . 117 GLU H . 15525 2 1332 . 2 2 120 120 GLU HA H 1 4.196 0.005 . 1 . . . . 117 GLU HA . 15525 2 1333 . 2 2 120 120 GLU HB2 H 1 2.101 0.006 . 2 . . . . 117 GLU HB2 . 15525 2 1334 . 2 2 120 120 GLU HB3 H 1 1.920 0.009 . 2 . . . . 117 GLU HB3 . 15525 2 1335 . 2 2 120 120 GLU HG2 H 1 2.176 0.010 . 2 . . . . 117 GLU HG2 . 15525 2 1336 . 2 2 120 120 GLU HG3 H 1 2.181 0.006 . 2 . . . . 117 GLU HG3 . 15525 2 1337 . 2 2 120 120 GLU C C 13 174.206 0.000 . 1 . . . . 117 GLU C . 15525 2 1338 . 2 2 120 120 GLU CA C 13 56.891 0.031 . 1 . . . . 117 GLU CA . 15525 2 1339 . 2 2 120 120 GLU CB C 13 29.472 0.069 . 1 . . . . 117 GLU CB . 15525 2 1340 . 2 2 120 120 GLU CG C 13 36.404 0.079 . 1 . . . . 117 GLU CG . 15525 2 1341 . 2 2 120 120 GLU N N 15 115.564 0.035 . 1 . . . . 117 GLU N . 15525 2 1342 . 2 2 121 121 GLU H H 1 7.920 0.004 . 1 . . . . 118 GLU H . 15525 2 1343 . 2 2 121 121 GLU HA H 1 4.310 0.005 . 1 . . . . 118 GLU HA . 15525 2 1344 . 2 2 121 121 GLU HB2 H 1 1.930 0.007 . 2 . . . . 118 GLU HB2 . 15525 2 1345 . 2 2 121 121 GLU HB3 H 1 1.930 0.007 . 2 . . . . 118 GLU HB3 . 15525 2 1346 . 2 2 121 121 GLU HG2 H 1 2.180 0.004 . 2 . . . . 118 GLU HG2 . 15525 2 1347 . 2 2 121 121 GLU HG3 H 1 2.178 0.005 . 2 . . . . 118 GLU HG3 . 15525 2 1348 . 2 2 121 121 GLU C C 13 173.191 0.000 . 1 . . . . 118 GLU C . 15525 2 1349 . 2 2 121 121 GLU CA C 13 55.703 0.049 . 1 . . . . 118 GLU CA . 15525 2 1350 . 2 2 121 121 GLU CB C 13 30.577 0.028 . 1 . . . . 118 GLU CB . 15525 2 1351 . 2 2 121 121 GLU CG C 13 36.308 0.050 . 1 . . . . 118 GLU CG . 15525 2 1352 . 2 2 121 121 GLU N N 15 119.444 0.100 . 1 . . . . 118 GLU N . 15525 2 1353 . 2 2 122 122 ASP H H 1 8.306 0.003 . 1 . . . . 119 ASP H . 15525 2 1354 . 2 2 122 122 ASP HA H 1 4.330 0.013 . 1 . . . . 119 ASP HA . 15525 2 1355 . 2 2 122 122 ASP HB2 H 1 2.612 0.003 . 2 . . . . 119 ASP HB2 . 15525 2 1356 . 2 2 122 122 ASP HB3 H 1 2.612 0.003 . 2 . . . . 119 ASP HB3 . 15525 2 1357 . 2 2 122 122 ASP C C 13 173.520 0.000 . 1 . . . . 119 ASP C . 15525 2 1358 . 2 2 122 122 ASP CA C 13 55.177 0.160 . 1 . . . . 119 ASP CA . 15525 2 1359 . 2 2 122 122 ASP CB C 13 41.646 0.044 . 1 . . . . 119 ASP CB . 15525 2 1360 . 2 2 122 122 ASP N N 15 120.581 0.071 . 1 . . . . 119 ASP N . 15525 2 1361 . 2 2 123 123 LYS H H 1 8.021 0.006 . 1 . . . . 120 LYS H . 15525 2 1362 . 2 2 123 123 LYS HA H 1 4.288 0.004 . 1 . . . . 120 LYS HA . 15525 2 1363 . 2 2 123 123 LYS HB2 H 1 1.678 0.006 . 2 . . . . 120 LYS HB2 . 15525 2 1364 . 2 2 123 123 LYS HB3 H 1 1.678 0.006 . 2 . . . . 120 LYS HB3 . 15525 2 1365 . 2 2 123 123 LYS HD2 H 1 1.616 0.005 . 2 . . . . 120 LYS HD2 . 15525 2 1366 . 2 2 123 123 LYS HD3 H 1 1.616 0.005 . 2 . . . . 120 LYS HD3 . 15525 2 1367 . 2 2 123 123 LYS HE2 H 1 2.936 0.001 . 2 . . . . 120 LYS HE2 . 15525 2 1368 . 2 2 123 123 LYS HE3 H 1 2.936 0.001 . 2 . . . . 120 LYS HE3 . 15525 2 1369 . 2 2 123 123 LYS HG2 H 1 1.267 0.003 . 2 . . . . 120 LYS HG2 . 15525 2 1370 . 2 2 123 123 LYS HG3 H 1 1.267 0.003 . 2 . . . . 120 LYS HG3 . 15525 2 1371 . 2 2 123 123 LYS C C 13 172.946 0.000 . 1 . . . . 120 LYS C . 15525 2 1372 . 2 2 123 123 LYS CA C 13 55.556 0.037 . 1 . . . . 120 LYS CA . 15525 2 1373 . 2 2 123 123 LYS CB C 13 33.211 0.020 . 1 . . . . 120 LYS CB . 15525 2 1374 . 2 2 123 123 LYS CD C 13 28.982 0.009 . 1 . . . . 120 LYS CD . 15525 2 1375 . 2 2 123 123 LYS CE C 13 42.186 0.007 . 1 . . . . 120 LYS CE . 15525 2 1376 . 2 2 123 123 LYS CG C 13 24.728 0.024 . 1 . . . . 120 LYS CG . 15525 2 1377 . 2 2 123 123 LYS N N 15 119.200 0.029 . 1 . . . . 120 LYS N . 15525 2 1378 . 2 2 124 124 ILE H H 1 8.307 0.007 . 1 . . . . 121 ILE H . 15525 2 1379 . 2 2 124 124 ILE HA H 1 4.384 0.010 . 1 . . . . 121 ILE HA . 15525 2 1380 . 2 2 124 124 ILE HB H 1 1.597 0.006 . 1 . . . . 121 ILE HB . 15525 2 1381 . 2 2 124 124 ILE HD11 H 1 0.682 0.005 . 1 . . . . 121 ILE HD11 . 15525 2 1382 . 2 2 124 124 ILE HD12 H 1 0.682 0.005 . 1 . . . . 121 ILE HD12 . 15525 2 1383 . 2 2 124 124 ILE HD13 H 1 0.682 0.005 . 1 . . . . 121 ILE HD13 . 15525 2 1384 . 2 2 124 124 ILE HG12 H 1 1.252 0.004 . 2 . . . . 121 ILE HG12 . 15525 2 1385 . 2 2 124 124 ILE HG13 H 1 0.983 0.006 . 2 . . . . 121 ILE HG13 . 15525 2 1386 . 2 2 124 124 ILE HG21 H 1 0.710 0.004 . 1 . . . . 121 ILE HG21 . 15525 2 1387 . 2 2 124 124 ILE HG22 H 1 0.710 0.004 . 1 . . . . 121 ILE HG22 . 15525 2 1388 . 2 2 124 124 ILE HG23 H 1 0.710 0.004 . 1 . . . . 121 ILE HG23 . 15525 2 1389 . 2 2 124 124 ILE CA C 13 57.608 0.058 . 1 . . . . 121 ILE CA . 15525 2 1390 . 2 2 124 124 ILE CB C 13 39.549 0.066 . 1 . . . . 121 ILE CB . 15525 2 1391 . 2 2 124 124 ILE CD1 C 13 14.274 0.032 . 1 . . . . 121 ILE CD1 . 15525 2 1392 . 2 2 124 124 ILE CG1 C 13 27.880 0.036 . 1 . . . . 121 ILE CG1 . 15525 2 1393 . 2 2 124 124 ILE CG2 C 13 17.849 0.069 . 1 . . . . 121 ILE CG2 . 15525 2 1394 . 2 2 124 124 ILE N N 15 125.195 0.009 . 1 . . . . 121 ILE N . 15525 2 1395 . 2 2 125 125 PRO HA H 1 4.395 0.008 . 1 . . . . 122 PRO HA . 15525 2 1396 . 2 2 125 125 PRO HB2 H 1 1.808 0.001 . 2 . . . . 122 PRO HB2 . 15525 2 1397 . 2 2 125 125 PRO HB3 H 1 2.218 0.000 . 2 . . . . 122 PRO HB3 . 15525 2 1398 . 2 2 125 125 PRO HD2 H 1 3.780 0.005 . 2 . . . . 122 PRO HD2 . 15525 2 1399 . 2 2 125 125 PRO HD3 H 1 3.608 0.004 . 2 . . . . 122 PRO HD3 . 15525 2 1400 . 2 2 125 125 PRO HG2 H 1 1.928 0.004 . 2 . . . . 122 PRO HG2 . 15525 2 1401 . 2 2 125 125 PRO HG3 H 1 1.929 0.008 . 2 . . . . 122 PRO HG3 . 15525 2 1402 . 2 2 125 125 PRO C C 13 172.494 0.000 . 1 . . . . 122 PRO C . 15525 2 1403 . 2 2 125 125 PRO CA C 13 63.723 0.050 . 1 . . . . 122 PRO CA . 15525 2 1404 . 2 2 125 125 PRO CB C 13 32.323 0.000 . 1 . . . . 122 PRO CB . 15525 2 1405 . 2 2 125 125 PRO CD C 13 50.961 0.048 . 1 . . . . 122 PRO CD . 15525 2 1406 . 2 2 125 125 PRO CG C 13 27.936 0.000 . 1 . . . . 122 PRO CG . 15525 2 1407 . 2 2 126 126 LEU H H 1 7.929 0.005 . 1 . . . . 123 LEU H . 15525 2 1408 . 2 2 126 126 LEU HA H 1 5.475 0.008 . 1 . . . . 123 LEU HA . 15525 2 1409 . 2 2 126 126 LEU HB2 H 1 1.634 0.005 . 2 . . . . 123 LEU HB2 . 15525 2 1410 . 2 2 126 126 LEU HB3 H 1 1.539 0.012 . 2 . . . . 123 LEU HB3 . 15525 2 1411 . 2 2 126 126 LEU HD11 H 1 0.593 0.009 . 2 . . . . 123 LEU HD11 . 15525 2 1412 . 2 2 126 126 LEU HD12 H 1 0.593 0.009 . 2 . . . . 123 LEU HD12 . 15525 2 1413 . 2 2 126 126 LEU HD13 H 1 0.593 0.009 . 2 . . . . 123 LEU HD13 . 15525 2 1414 . 2 2 126 126 LEU HD21 H 1 0.671 0.008 . 2 . . . . 123 LEU HD21 . 15525 2 1415 . 2 2 126 126 LEU HD22 H 1 0.671 0.008 . 2 . . . . 123 LEU HD22 . 15525 2 1416 . 2 2 126 126 LEU HD23 H 1 0.671 0.008 . 2 . . . . 123 LEU HD23 . 15525 2 1417 . 2 2 126 126 LEU HG H 1 1.624 0.004 . 1 . . . . 123 LEU HG . 15525 2 1418 . 2 2 126 126 LEU C C 13 171.990 0.000 . 1 . . . . 123 LEU C . 15525 2 1419 . 2 2 126 126 LEU CA C 13 55.024 0.046 . 1 . . . . 123 LEU CA . 15525 2 1420 . 2 2 126 126 LEU CB C 13 45.668 0.045 . 1 . . . . 123 LEU CB . 15525 2 1421 . 2 2 126 126 LEU CD1 C 13 26.303 0.052 . 2 . . . . 123 LEU CD1 . 15525 2 1422 . 2 2 126 126 LEU CD2 C 13 25.871 0.073 . 2 . . . . 123 LEU CD2 . 15525 2 1423 . 2 2 126 126 LEU CG C 13 26.878 0.118 . 1 . . . . 123 LEU CG . 15525 2 1424 . 2 2 126 126 LEU N N 15 127.899 0.028 . 1 . . . . 123 LEU N . 15525 2 1425 . 2 2 127 127 LEU H H 1 8.238 0.007 . 1 . . . . 124 LEU H . 15525 2 1426 . 2 2 127 127 LEU HA H 1 4.650 0.005 . 1 . . . . 124 LEU HA . 15525 2 1427 . 2 2 127 127 LEU HB2 H 1 1.313 0.005 . 2 . . . . 124 LEU HB2 . 15525 2 1428 . 2 2 127 127 LEU HB3 H 1 1.460 0.002 . 2 . . . . 124 LEU HB3 . 15525 2 1429 . 2 2 127 127 LEU HD11 H 1 0.670 0.007 . 2 . . . . 124 LEU HD11 . 15525 2 1430 . 2 2 127 127 LEU HD12 H 1 0.670 0.007 . 2 . . . . 124 LEU HD12 . 15525 2 1431 . 2 2 127 127 LEU HD13 H 1 0.670 0.007 . 2 . . . . 124 LEU HD13 . 15525 2 1432 . 2 2 127 127 LEU HD21 H 1 0.748 0.009 . 2 . . . . 124 LEU HD21 . 15525 2 1433 . 2 2 127 127 LEU HD22 H 1 0.748 0.009 . 2 . . . . 124 LEU HD22 . 15525 2 1434 . 2 2 127 127 LEU HD23 H 1 0.748 0.009 . 2 . . . . 124 LEU HD23 . 15525 2 1435 . 2 2 127 127 LEU HG H 1 1.617 0.003 . 1 . . . . 124 LEU HG . 15525 2 1436 . 2 2 127 127 LEU C C 13 172.275 0.000 . 1 . . . . 124 LEU C . 15525 2 1437 . 2 2 127 127 LEU CA C 13 55.860 0.037 . 1 . . . . 124 LEU CA . 15525 2 1438 . 2 2 127 127 LEU CB C 13 46.476 0.021 . 1 . . . . 124 LEU CB . 15525 2 1439 . 2 2 127 127 LEU CD1 C 13 26.009 0.086 . 2 . . . . 124 LEU CD1 . 15525 2 1440 . 2 2 127 127 LEU CD2 C 13 26.100 0.050 . 2 . . . . 124 LEU CD2 . 15525 2 1441 . 2 2 127 127 LEU CG C 13 28.993 0.012 . 1 . . . . 124 LEU CG . 15525 2 1442 . 2 2 127 127 LEU N N 15 125.544 0.059 . 1 . . . . 124 LEU N . 15525 2 1443 . 2 2 128 128 VAL H H 1 8.297 0.007 . 1 . . . . 125 VAL H . 15525 2 1444 . 2 2 128 128 VAL HA H 1 4.916 0.006 . 1 . . . . 125 VAL HA . 15525 2 1445 . 2 2 128 128 VAL HB H 1 2.314 0.004 . 1 . . . . 125 VAL HB . 15525 2 1446 . 2 2 128 128 VAL HG11 H 1 1.409 0.006 . 2 . . . . 125 VAL HG11 . 15525 2 1447 . 2 2 128 128 VAL HG12 H 1 1.409 0.006 . 2 . . . . 125 VAL HG12 . 15525 2 1448 . 2 2 128 128 VAL HG13 H 1 1.409 0.006 . 2 . . . . 125 VAL HG13 . 15525 2 1449 . 2 2 128 128 VAL HG21 H 1 1.224 0.004 . 2 . . . . 125 VAL HG21 . 15525 2 1450 . 2 2 128 128 VAL HG22 H 1 1.224 0.004 . 2 . . . . 125 VAL HG22 . 15525 2 1451 . 2 2 128 128 VAL HG23 H 1 1.224 0.004 . 2 . . . . 125 VAL HG23 . 15525 2 1452 . 2 2 128 128 VAL C C 13 170.785 0.000 . 1 . . . . 125 VAL C . 15525 2 1453 . 2 2 128 128 VAL CA C 13 62.200 0.068 . 1 . . . . 125 VAL CA . 15525 2 1454 . 2 2 128 128 VAL CB C 13 32.610 0.042 . 1 . . . . 125 VAL CB . 15525 2 1455 . 2 2 128 128 VAL CG1 C 13 22.121 0.043 . 2 . . . . 125 VAL CG1 . 15525 2 1456 . 2 2 128 128 VAL CG2 C 13 22.973 0.048 . 2 . . . . 125 VAL CG2 . 15525 2 1457 . 2 2 128 128 VAL N N 15 124.427 0.028 . 1 . . . . 125 VAL N . 15525 2 1458 . 2 2 129 129 VAL H H 1 9.138 0.009 . 1 . . . . 126 VAL H . 15525 2 1459 . 2 2 129 129 VAL HA H 1 4.845 0.011 . 1 . . . . 126 VAL HA . 15525 2 1460 . 2 2 129 129 VAL HB H 1 1.728 0.006 . 1 . . . . 126 VAL HB . 15525 2 1461 . 2 2 129 129 VAL HG11 H 1 0.547 0.008 . 2 . . . . 126 VAL HG11 . 15525 2 1462 . 2 2 129 129 VAL HG12 H 1 0.547 0.008 . 2 . . . . 126 VAL HG12 . 15525 2 1463 . 2 2 129 129 VAL HG13 H 1 0.547 0.008 . 2 . . . . 126 VAL HG13 . 15525 2 1464 . 2 2 129 129 VAL HG21 H 1 0.656 0.005 . 2 . . . . 126 VAL HG21 . 15525 2 1465 . 2 2 129 129 VAL HG22 H 1 0.656 0.005 . 2 . . . . 126 VAL HG22 . 15525 2 1466 . 2 2 129 129 VAL HG23 H 1 0.656 0.005 . 2 . . . . 126 VAL HG23 . 15525 2 1467 . 2 2 129 129 VAL C C 13 171.620 0.000 . 1 . . . . 126 VAL C . 15525 2 1468 . 2 2 129 129 VAL CA C 13 60.050 0.020 . 1 . . . . 126 VAL CA . 15525 2 1469 . 2 2 129 129 VAL CB C 13 34.895 0.030 . 1 . . . . 126 VAL CB . 15525 2 1470 . 2 2 129 129 VAL CG1 C 13 22.562 0.022 . 2 . . . . 126 VAL CG1 . 15525 2 1471 . 2 2 129 129 VAL CG2 C 13 23.509 0.091 . 2 . . . . 126 VAL CG2 . 15525 2 1472 . 2 2 129 129 VAL N N 15 128.652 0.053 . 1 . . . . 126 VAL N . 15525 2 1473 . 2 2 130 130 GLY H H 1 8.257 0.004 . 1 . . . . 127 GLY H . 15525 2 1474 . 2 2 130 130 GLY HA2 H 1 2.697 0.009 . 2 . . . . 127 GLY HA2 . 15525 2 1475 . 2 2 130 130 GLY HA3 H 1 2.943 0.012 . 2 . . . . 127 GLY HA3 . 15525 2 1476 . 2 2 130 130 GLY CA C 13 44.952 0.082 . 1 . . . . 127 GLY CA . 15525 2 1477 . 2 2 130 130 GLY N N 15 114.819 0.087 . 1 . . . . 127 GLY N . 15525 2 1478 . 2 2 131 131 ASN H H 1 8.690 0.009 . 1 . . . . 128 ASN H . 15525 2 1479 . 2 2 131 131 ASN HA H 1 5.477 0.008 . 1 . . . . 128 ASN HA . 15525 2 1480 . 2 2 131 131 ASN HB2 H 1 2.113 0.008 . 2 . . . . 128 ASN HB2 . 15525 2 1481 . 2 2 131 131 ASN HB3 H 1 2.595 0.006 . 2 . . . . 128 ASN HB3 . 15525 2 1482 . 2 2 131 131 ASN HD21 H 1 7.543 0.004 . 1 . . . . 128 ASN HD21 . 15525 2 1483 . 2 2 131 131 ASN HD22 H 1 8.785 0.006 . 1 . . . . 128 ASN HD22 . 15525 2 1484 . 2 2 131 131 ASN C C 13 171.921 0.000 . 1 . . . . 128 ASN C . 15525 2 1485 . 2 2 131 131 ASN CA C 13 51.440 0.070 . 1 . . . . 128 ASN CA . 15525 2 1486 . 2 2 131 131 ASN CB C 13 40.947 0.085 . 1 . . . . 128 ASN CB . 15525 2 1487 . 2 2 131 131 ASN N N 15 121.537 0.046 . 1 . . . . 128 ASN N . 15525 2 1488 . 2 2 131 131 ASN ND2 N 15 120.999 0.034 . 1 . . . . 128 ASN ND2 . 15525 2 1489 . 2 2 132 132 LYS H H 1 7.197 0.007 . 1 . . . . 129 LYS H . 15525 2 1490 . 2 2 132 132 LYS HA H 1 4.147 0.013 . 1 . . . . 129 LYS HA . 15525 2 1491 . 2 2 132 132 LYS HB2 H 1 2.534 0.008 . 2 . . . . 129 LYS HB2 . 15525 2 1492 . 2 2 132 132 LYS HB3 H 1 1.422 0.005 . 2 . . . . 129 LYS HB3 . 15525 2 1493 . 2 2 132 132 LYS HD2 H 1 0.861 0.006 . 1 . . . . 129 LYS HD2 . 15525 2 1494 . 2 2 132 132 LYS HD3 H 1 0.861 0.006 . 1 . . . . 129 LYS HD3 . 15525 2 1495 . 2 2 132 132 LYS C C 13 175.700 0.000 . 1 . . . . 129 LYS C . 15525 2 1496 . 2 2 132 132 LYS CA C 13 57.487 0.091 . 1 . . . . 129 LYS CA . 15525 2 1497 . 2 2 132 132 LYS CB C 13 28.962 0.090 . 1 . . . . 129 LYS CB . 15525 2 1498 . 2 2 132 132 LYS CD C 13 26.650 0.069 . 1 . . . . 129 LYS CD . 15525 2 1499 . 2 2 132 132 LYS N N 15 110.605 0.087 . 1 . . . . 129 LYS N . 15525 2 1500 . 2 2 133 133 SER H H 1 9.154 0.003 . 1 . . . . 130 SER H . 15525 2 1501 . 2 2 133 133 SER HA H 1 3.781 0.005 . 1 . . . . 130 SER HA . 15525 2 1502 . 2 2 133 133 SER HB2 H 1 3.498 0.004 . 2 . . . . 130 SER HB2 . 15525 2 1503 . 2 2 133 133 SER HB3 H 1 3.966 0.005 . 2 . . . . 130 SER HB3 . 15525 2 1504 . 2 2 133 133 SER C C 13 172.165 0.000 . 1 . . . . 130 SER C . 15525 2 1505 . 2 2 133 133 SER CA C 13 60.625 0.097 . 1 . . . . 130 SER CA . 15525 2 1506 . 2 2 133 133 SER CB C 13 62.801 0.078 . 1 . . . . 130 SER CB . 15525 2 1507 . 2 2 133 133 SER N N 15 114.308 0.047 . 1 . . . . 130 SER N . 15525 2 1508 . 2 2 134 134 ASP H H 1 8.654 0.005 . 1 . . . . 131 ASP H . 15525 2 1509 . 2 2 134 134 ASP HA H 1 4.471 0.007 . 1 . . . . 131 ASP HA . 15525 2 1510 . 2 2 134 134 ASP HB2 H 1 2.614 0.005 . 2 . . . . 131 ASP HB2 . 15525 2 1511 . 2 2 134 134 ASP HB3 H 1 2.541 0.012 . 2 . . . . 131 ASP HB3 . 15525 2 1512 . 2 2 134 134 ASP C C 13 173.879 0.000 . 1 . . . . 131 ASP C . 15525 2 1513 . 2 2 134 134 ASP CA C 13 54.805 0.017 . 1 . . . . 131 ASP CA . 15525 2 1514 . 2 2 134 134 ASP CB C 13 40.133 0.032 . 1 . . . . 131 ASP CB . 15525 2 1515 . 2 2 134 134 ASP N N 15 116.742 0.044 . 1 . . . . 131 ASP N . 15525 2 1516 . 2 2 135 135 LEU H H 1 8.012 0.003 . 1 . . . . 132 LEU H . 15525 2 1517 . 2 2 135 135 LEU HA H 1 4.661 0.004 . 1 . . . . 132 LEU HA . 15525 2 1518 . 2 2 135 135 LEU HB2 H 1 1.281 0.009 . 2 . . . . 132 LEU HB2 . 15525 2 1519 . 2 2 135 135 LEU HB3 H 1 1.830 0.006 . 2 . . . . 132 LEU HB3 . 15525 2 1520 . 2 2 135 135 LEU HD11 H 1 0.652 0.004 . 2 . . . . 132 LEU HD11 . 15525 2 1521 . 2 2 135 135 LEU HD12 H 1 0.652 0.004 . 2 . . . . 132 LEU HD12 . 15525 2 1522 . 2 2 135 135 LEU HD13 H 1 0.652 0.004 . 2 . . . . 132 LEU HD13 . 15525 2 1523 . 2 2 135 135 LEU HD21 H 1 0.864 0.005 . 2 . . . . 132 LEU HD21 . 15525 2 1524 . 2 2 135 135 LEU HD22 H 1 0.864 0.005 . 2 . . . . 132 LEU HD22 . 15525 2 1525 . 2 2 135 135 LEU HD23 H 1 0.864 0.005 . 2 . . . . 132 LEU HD23 . 15525 2 1526 . 2 2 135 135 LEU HG H 1 1.449 0.004 . 1 . . . . 132 LEU HG . 15525 2 1527 . 2 2 135 135 LEU C C 13 174.303 0.000 . 1 . . . . 132 LEU C . 15525 2 1528 . 2 2 135 135 LEU CA C 13 53.230 0.052 . 1 . . . . 132 LEU CA . 15525 2 1529 . 2 2 135 135 LEU CB C 13 39.945 0.080 . 1 . . . . 132 LEU CB . 15525 2 1530 . 2 2 135 135 LEU CD1 C 13 22.589 0.069 . 2 . . . . 132 LEU CD1 . 15525 2 1531 . 2 2 135 135 LEU CD2 C 13 26.698 0.037 . 2 . . . . 132 LEU CD2 . 15525 2 1532 . 2 2 135 135 LEU CG C 13 25.727 0.117 . 1 . . . . 132 LEU CG . 15525 2 1533 . 2 2 135 135 LEU N N 15 122.958 0.089 . 1 . . . . 132 LEU N . 15525 2 1534 . 2 2 136 136 GLU H H 1 6.617 0.002 . 1 . . . . 133 GLU H . 15525 2 1535 . 2 2 136 136 GLU HA H 1 3.674 0.007 . 1 . . . . 133 GLU HA . 15525 2 1536 . 2 2 136 136 GLU HB2 H 1 2.154 0.007 . 2 . . . . 133 GLU HB2 . 15525 2 1537 . 2 2 136 136 GLU HB3 H 1 1.816 0.005 . 2 . . . . 133 GLU HB3 . 15525 2 1538 . 2 2 136 136 GLU HG2 H 1 2.383 0.004 . 2 . . . . 133 GLU HG2 . 15525 2 1539 . 2 2 136 136 GLU HG3 H 1 2.064 0.009 . 2 . . . . 133 GLU HG3 . 15525 2 1540 . 2 2 136 136 GLU C C 13 175.812 0.000 . 1 . . . . 133 GLU C . 15525 2 1541 . 2 2 136 136 GLU CA C 13 59.358 0.026 . 1 . . . . 133 GLU CA . 15525 2 1542 . 2 2 136 136 GLU CB C 13 30.180 0.061 . 1 . . . . 133 GLU CB . 15525 2 1543 . 2 2 136 136 GLU CG C 13 34.502 0.066 . 1 . . . . 133 GLU CG . 15525 2 1544 . 2 2 136 136 GLU N N 15 119.289 0.062 . 1 . . . . 133 GLU N . 15525 2 1545 . 2 2 137 137 GLU H H 1 9.122 0.003 . 1 . . . . 134 GLU H . 15525 2 1546 . 2 2 137 137 GLU HA H 1 4.110 0.006 . 1 . . . . 134 GLU HA . 15525 2 1547 . 2 2 137 137 GLU HB2 H 1 1.984 0.004 . 2 . . . . 134 GLU HB2 . 15525 2 1548 . 2 2 137 137 GLU HB3 H 1 1.984 0.004 . 2 . . . . 134 GLU HB3 . 15525 2 1549 . 2 2 137 137 GLU HG2 H 1 2.181 0.019 . 2 . . . . 134 GLU HG2 . 15525 2 1550 . 2 2 137 137 GLU HG3 H 1 2.250 0.026 . 2 . . . . 134 GLU HG3 . 15525 2 1551 . 2 2 137 137 GLU C C 13 174.709 0.000 . 1 . . . . 134 GLU C . 15525 2 1552 . 2 2 137 137 GLU CA C 13 58.722 0.018 . 1 . . . . 134 GLU CA . 15525 2 1553 . 2 2 137 137 GLU CB C 13 28.919 0.047 . 1 . . . . 134 GLU CB . 15525 2 1554 . 2 2 137 137 GLU CG C 13 36.223 0.052 . 1 . . . . 134 GLU CG . 15525 2 1555 . 2 2 137 137 GLU N N 15 116.893 0.066 . 1 . . . . 134 GLU N . 15525 2 1556 . 2 2 138 138 ARG H H 1 7.914 0.004 . 1 . . . . 135 ARG H . 15525 2 1557 . 2 2 138 138 ARG HA H 1 4.506 0.003 . 1 . . . . 135 ARG HA . 15525 2 1558 . 2 2 138 138 ARG HB2 H 1 1.629 0.013 . 2 . . . . 135 ARG HB2 . 15525 2 1559 . 2 2 138 138 ARG HB3 H 1 2.219 0.010 . 2 . . . . 135 ARG HB3 . 15525 2 1560 . 2 2 138 138 ARG HD2 H 1 3.156 0.004 . 2 . . . . 135 ARG HD2 . 15525 2 1561 . 2 2 138 138 ARG HD3 H 1 3.156 0.004 . 2 . . . . 135 ARG HD3 . 15525 2 1562 . 2 2 138 138 ARG HG2 H 1 1.554 0.006 . 2 . . . . 135 ARG HG2 . 15525 2 1563 . 2 2 138 138 ARG HG3 H 1 1.554 0.006 . 2 . . . . 135 ARG HG3 . 15525 2 1564 . 2 2 138 138 ARG C C 13 173.197 0.000 . 1 . . . . 135 ARG C . 15525 2 1565 . 2 2 138 138 ARG CA C 13 54.144 0.021 . 1 . . . . 135 ARG CA . 15525 2 1566 . 2 2 138 138 ARG CB C 13 30.356 0.073 . 1 . . . . 135 ARG CB . 15525 2 1567 . 2 2 138 138 ARG CD C 13 43.685 0.031 . 1 . . . . 135 ARG CD . 15525 2 1568 . 2 2 138 138 ARG CG C 13 27.211 0.032 . 1 . . . . 135 ARG CG . 15525 2 1569 . 2 2 138 138 ARG N N 15 117.314 0.094 . 1 . . . . 135 ARG N . 15525 2 1570 . 2 2 139 139 ARG H H 1 7.408 0.006 . 1 . . . . 136 ARG H . 15525 2 1571 . 2 2 139 139 ARG HA H 1 3.459 0.005 . 1 . . . . 136 ARG HA . 15525 2 1572 . 2 2 139 139 ARG HB2 H 1 1.954 0.008 . 2 . . . . 136 ARG HB2 . 15525 2 1573 . 2 2 139 139 ARG HB3 H 1 1.550 0.006 . 2 . . . . 136 ARG HB3 . 15525 2 1574 . 2 2 139 139 ARG HD2 H 1 2.853 0.009 . 2 . . . . 136 ARG HD2 . 15525 2 1575 . 2 2 139 139 ARG HD3 H 1 3.569 0.001 . 2 . . . . 136 ARG HD3 . 15525 2 1576 . 2 2 139 139 ARG HE H 1 8.160 0.014 . 1 . . . . 136 ARG HE . 15525 2 1577 . 2 2 139 139 ARG HG2 H 1 1.090 0.000 . 2 . . . . 136 ARG HG2 . 15525 2 1578 . 2 2 139 139 ARG HG3 H 1 1.287 0.007 . 2 . . . . 136 ARG HG3 . 15525 2 1579 . 2 2 139 139 ARG C C 13 174.474 0.000 . 1 . . . . 136 ARG C . 15525 2 1580 . 2 2 139 139 ARG CA C 13 58.810 0.085 . 1 . . . . 136 ARG CA . 15525 2 1581 . 2 2 139 139 ARG CB C 13 31.769 0.056 . 1 . . . . 136 ARG CB . 15525 2 1582 . 2 2 139 139 ARG CD C 13 43.519 0.082 . 1 . . . . 136 ARG CD . 15525 2 1583 . 2 2 139 139 ARG N N 15 120.315 0.069 . 1 . . . . 136 ARG N . 15525 2 1584 . 2 2 139 139 ARG NE N 15 79.979 0.072 . 1 . . . . 136 ARG NE . 15525 2 1585 . 2 2 140 140 GLN H H 1 9.524 0.004 . 1 . . . . 137 GLN H . 15525 2 1586 . 2 2 140 140 GLN HA H 1 4.542 0.004 . 1 . . . . 137 GLN HA . 15525 2 1587 . 2 2 140 140 GLN HB2 H 1 1.457 0.009 . 2 . . . . 137 GLN HB2 . 15525 2 1588 . 2 2 140 140 GLN HB3 H 1 1.457 0.009 . 2 . . . . 137 GLN HB3 . 15525 2 1589 . 2 2 140 140 GLN HE21 H 1 6.976 0.002 . 1 . . . . 137 GLN HE21 . 15525 2 1590 . 2 2 140 140 GLN HE22 H 1 7.369 0.002 . 1 . . . . 137 GLN HE22 . 15525 2 1591 . 2 2 140 140 GLN HG2 H 1 2.452 0.004 . 2 . . . . 137 GLN HG2 . 15525 2 1592 . 2 2 140 140 GLN HG3 H 1 2.650 0.005 . 2 . . . . 137 GLN HG3 . 15525 2 1593 . 2 2 140 140 GLN C C 13 172.552 0.000 . 1 . . . . 137 GLN C . 15525 2 1594 . 2 2 140 140 GLN CA C 13 55.103 0.011 . 1 . . . . 137 GLN CA . 15525 2 1595 . 2 2 140 140 GLN CB C 13 32.550 0.041 . 1 . . . . 137 GLN CB . 15525 2 1596 . 2 2 140 140 GLN CG C 13 33.968 0.049 . 1 . . . . 137 GLN CG . 15525 2 1597 . 2 2 140 140 GLN N N 15 123.915 0.062 . 1 . . . . 137 GLN N . 15525 2 1598 . 2 2 140 140 GLN NE2 N 15 110.883 0.035 . 1 . . . . 137 GLN NE2 . 15525 2 1599 . 2 2 141 141 VAL H H 1 7.149 0.010 . 1 . . . . 138 VAL H . 15525 2 1600 . 2 2 141 141 VAL HA H 1 4.386 0.010 . 1 . . . . 138 VAL HA . 15525 2 1601 . 2 2 141 141 VAL HB H 1 2.036 0.006 . 1 . . . . 138 VAL HB . 15525 2 1602 . 2 2 141 141 VAL HG11 H 1 -0.051 0.004 . 2 . . . . 138 VAL HG11 . 15525 2 1603 . 2 2 141 141 VAL HG12 H 1 -0.051 0.004 . 2 . . . . 138 VAL HG12 . 15525 2 1604 . 2 2 141 141 VAL HG13 H 1 -0.051 0.004 . 2 . . . . 138 VAL HG13 . 15525 2 1605 . 2 2 141 141 VAL HG21 H 1 0.711 0.005 . 2 . . . . 138 VAL HG21 . 15525 2 1606 . 2 2 141 141 VAL HG22 H 1 0.711 0.005 . 2 . . . . 138 VAL HG22 . 15525 2 1607 . 2 2 141 141 VAL HG23 H 1 0.711 0.005 . 2 . . . . 138 VAL HG23 . 15525 2 1608 . 2 2 141 141 VAL CA C 13 58.851 0.044 . 1 . . . . 138 VAL CA . 15525 2 1609 . 2 2 141 141 VAL CB C 13 33.147 0.031 . 1 . . . . 138 VAL CB . 15525 2 1610 . 2 2 141 141 VAL CG1 C 13 19.577 0.040 . 2 . . . . 138 VAL CG1 . 15525 2 1611 . 2 2 141 141 VAL CG2 C 13 20.370 0.075 . 2 . . . . 138 VAL CG2 . 15525 2 1612 . 2 2 141 141 VAL N N 15 120.645 0.051 . 1 . . . . 138 VAL N . 15525 2 1613 . 2 2 142 142 PRO HA H 1 4.377 0.004 . 1 . . . . 139 PRO HA . 15525 2 1614 . 2 2 142 142 PRO HB2 H 1 1.671 0.003 . 2 . . . . 139 PRO HB2 . 15525 2 1615 . 2 2 142 142 PRO HB3 H 1 2.376 0.004 . 2 . . . . 139 PRO HB3 . 15525 2 1616 . 2 2 142 142 PRO HD2 H 1 3.969 0.006 . 2 . . . . 139 PRO HD2 . 15525 2 1617 . 2 2 142 142 PRO HD3 H 1 3.767 0.006 . 2 . . . . 139 PRO HD3 . 15525 2 1618 . 2 2 142 142 PRO HG2 H 1 1.797 0.005 . 2 . . . . 139 PRO HG2 . 15525 2 1619 . 2 2 142 142 PRO HG3 H 1 2.015 0.004 . 2 . . . . 139 PRO HG3 . 15525 2 1620 . 2 2 142 142 PRO C C 13 174.817 0.000 . 1 . . . . 139 PRO C . 15525 2 1621 . 2 2 142 142 PRO CA C 13 62.581 0.060 . 1 . . . . 139 PRO CA . 15525 2 1622 . 2 2 142 142 PRO CB C 13 32.610 0.077 . 1 . . . . 139 PRO CB . 15525 2 1623 . 2 2 142 142 PRO CD C 13 50.825 0.078 . 1 . . . . 139 PRO CD . 15525 2 1624 . 2 2 142 142 PRO CG C 13 27.613 0.052 . 1 . . . . 139 PRO CG . 15525 2 1625 . 2 2 143 143 VAL H H 1 8.770 0.006 . 1 . . . . 140 VAL H . 15525 2 1626 . 2 2 143 143 VAL HA H 1 3.482 0.006 . 1 . . . . 140 VAL HA . 15525 2 1627 . 2 2 143 143 VAL HB H 1 1.914 0.003 . 1 . . . . 140 VAL HB . 15525 2 1628 . 2 2 143 143 VAL HG11 H 1 1.167 0.008 . 2 . . . . 140 VAL HG11 . 15525 2 1629 . 2 2 143 143 VAL HG12 H 1 1.167 0.008 . 2 . . . . 140 VAL HG12 . 15525 2 1630 . 2 2 143 143 VAL HG13 H 1 1.167 0.008 . 2 . . . . 140 VAL HG13 . 15525 2 1631 . 2 2 143 143 VAL HG21 H 1 0.925 0.005 . 2 . . . . 140 VAL HG21 . 15525 2 1632 . 2 2 143 143 VAL HG22 H 1 0.925 0.005 . 2 . . . . 140 VAL HG22 . 15525 2 1633 . 2 2 143 143 VAL HG23 H 1 0.925 0.005 . 2 . . . . 140 VAL HG23 . 15525 2 1634 . 2 2 143 143 VAL C C 13 175.331 0.000 . 1 . . . . 140 VAL C . 15525 2 1635 . 2 2 143 143 VAL CA C 13 66.366 0.076 . 1 . . . . 140 VAL CA . 15525 2 1636 . 2 2 143 143 VAL CB C 13 32.128 0.022 . 1 . . . . 140 VAL CB . 15525 2 1637 . 2 2 143 143 VAL CG1 C 13 22.193 0.094 . 2 . . . . 140 VAL CG1 . 15525 2 1638 . 2 2 143 143 VAL CG2 C 13 21.078 0.047 . 2 . . . . 140 VAL CG2 . 15525 2 1639 . 2 2 143 143 VAL N N 15 125.730 0.035 . 1 . . . . 140 VAL N . 15525 2 1640 . 2 2 144 144 GLU H H 1 8.801 0.004 . 1 . . . . 141 GLU H . 15525 2 1641 . 2 2 144 144 GLU HA H 1 3.841 0.003 . 1 . . . . 141 GLU HA . 15525 2 1642 . 2 2 144 144 GLU HB2 H 1 1.846 0.006 . 2 . . . . 141 GLU HB2 . 15525 2 1643 . 2 2 144 144 GLU HB3 H 1 1.846 0.006 . 2 . . . . 141 GLU HB3 . 15525 2 1644 . 2 2 144 144 GLU HG2 H 1 2.170 0.010 . 2 . . . . 141 GLU HG2 . 15525 2 1645 . 2 2 144 144 GLU HG3 H 1 2.248 0.010 . 2 . . . . 141 GLU HG3 . 15525 2 1646 . 2 2 144 144 GLU C C 13 176.595 0.000 . 1 . . . . 141 GLU C . 15525 2 1647 . 2 2 144 144 GLU CA C 13 59.293 0.040 . 1 . . . . 141 GLU CA . 15525 2 1648 . 2 2 144 144 GLU CB C 13 28.818 0.075 . 1 . . . . 141 GLU CB . 15525 2 1649 . 2 2 144 144 GLU CG C 13 36.064 0.022 . 1 . . . . 141 GLU CG . 15525 2 1650 . 2 2 144 144 GLU N N 15 114.287 0.043 . 1 . . . . 141 GLU N . 15525 2 1651 . 2 2 145 145 GLU H H 1 6.968 0.004 . 1 . . . . 142 GLU H . 15525 2 1652 . 2 2 145 145 GLU HA H 1 3.794 0.005 . 1 . . . . 142 GLU HA . 15525 2 1653 . 2 2 145 145 GLU HB2 H 1 1.774 0.007 . 1 . . . . 142 GLU HB2 . 15525 2 1654 . 2 2 145 145 GLU HB3 H 1 1.774 0.007 . 1 . . . . 142 GLU HB3 . 15525 2 1655 . 2 2 145 145 GLU HG2 H 1 1.760 0.005 . 2 . . . . 142 GLU HG2 . 15525 2 1656 . 2 2 145 145 GLU HG3 H 1 2.133 0.004 . 2 . . . . 142 GLU HG3 . 15525 2 1657 . 2 2 145 145 GLU C C 13 176.209 0.000 . 1 . . . . 142 GLU C . 15525 2 1658 . 2 2 145 145 GLU CA C 13 58.878 0.079 . 1 . . . . 142 GLU CA . 15525 2 1659 . 2 2 145 145 GLU CB C 13 29.554 0.070 . 1 . . . . 142 GLU CB . 15525 2 1660 . 2 2 145 145 GLU CG C 13 35.616 0.052 . 1 . . . . 142 GLU CG . 15525 2 1661 . 2 2 145 145 GLU N N 15 120.510 0.035 . 1 . . . . 142 GLU N . 15525 2 1662 . 2 2 146 146 ALA H H 1 6.693 0.002 . 1 . . . . 143 ALA H . 15525 2 1663 . 2 2 146 146 ALA HA H 1 3.511 0.013 . 1 . . . . 143 ALA HA . 15525 2 1664 . 2 2 146 146 ALA HB1 H 1 0.383 0.006 . 1 . . . . 143 ALA HB1 . 15525 2 1665 . 2 2 146 146 ALA HB2 H 1 0.383 0.006 . 1 . . . . 143 ALA HB2 . 15525 2 1666 . 2 2 146 146 ALA HB3 H 1 0.383 0.006 . 1 . . . . 143 ALA HB3 . 15525 2 1667 . 2 2 146 146 ALA C C 13 176.304 0.000 . 1 . . . . 143 ALA C . 15525 2 1668 . 2 2 146 146 ALA CA C 13 54.619 0.082 . 1 . . . . 143 ALA CA . 15525 2 1669 . 2 2 146 146 ALA CB C 13 17.638 0.038 . 1 . . . . 143 ALA CB . 15525 2 1670 . 2 2 146 146 ALA N N 15 121.572 0.054 . 1 . . . . 143 ALA N . 15525 2 1671 . 2 2 147 147 ARG H H 1 8.540 0.007 . 1 . . . . 144 ARG H . 15525 2 1672 . 2 2 147 147 ARG HA H 1 3.520 0.006 . 1 . . . . 144 ARG HA . 15525 2 1673 . 2 2 147 147 ARG HB2 H 1 1.686 0.012 . 2 . . . . 144 ARG HB2 . 15525 2 1674 . 2 2 147 147 ARG HB3 H 1 1.712 0.012 . 2 . . . . 144 ARG HB3 . 15525 2 1675 . 2 2 147 147 ARG HD2 H 1 3.158 0.010 . 2 . . . . 144 ARG HD2 . 15525 2 1676 . 2 2 147 147 ARG HD3 H 1 3.128 0.013 . 2 . . . . 144 ARG HD3 . 15525 2 1677 . 2 2 147 147 ARG HG2 H 1 1.753 0.031 . 2 . . . . 144 ARG HG2 . 15525 2 1678 . 2 2 147 147 ARG HG3 H 1 1.608 0.016 . 2 . . . . 144 ARG HG3 . 15525 2 1679 . 2 2 147 147 ARG C C 13 176.681 0.000 . 1 . . . . 144 ARG C . 15525 2 1680 . 2 2 147 147 ARG CA C 13 59.909 0.084 . 1 . . . . 144 ARG CA . 15525 2 1681 . 2 2 147 147 ARG CB C 13 30.151 0.011 . 1 . . . . 144 ARG CB . 15525 2 1682 . 2 2 147 147 ARG CD C 13 43.529 0.073 . 1 . . . . 144 ARG CD . 15525 2 1683 . 2 2 147 147 ARG CG C 13 27.814 0.091 . 1 . . . . 144 ARG CG . 15525 2 1684 . 2 2 147 147 ARG N N 15 116.860 0.045 . 1 . . . . 144 ARG N . 15525 2 1685 . 2 2 148 148 SER H H 1 7.660 0.009 . 1 . . . . 145 SER H . 15525 2 1686 . 2 2 148 148 SER HA H 1 4.054 0.005 . 1 . . . . 145 SER HA . 15525 2 1687 . 2 2 148 148 SER HB2 H 1 3.821 0.009 . 2 . . . . 145 SER HB2 . 15525 2 1688 . 2 2 148 148 SER HB3 H 1 3.792 0.004 . 2 . . . . 145 SER HB3 . 15525 2 1689 . 2 2 148 148 SER C C 13 174.456 0.000 . 1 . . . . 145 SER C . 15525 2 1690 . 2 2 148 148 SER CA C 13 61.697 0.056 . 1 . . . . 145 SER CA . 15525 2 1691 . 2 2 148 148 SER CB C 13 62.599 0.033 . 1 . . . . 145 SER CB . 15525 2 1692 . 2 2 148 148 SER N N 15 112.639 0.034 . 1 . . . . 145 SER N . 15525 2 1693 . 2 2 149 149 LYS H H 1 7.057 0.009 . 1 . . . . 146 LYS H . 15525 2 1694 . 2 2 149 149 LYS HA H 1 3.606 0.009 . 1 . . . . 146 LYS HA . 15525 2 1695 . 2 2 149 149 LYS HB2 H 1 1.495 0.009 . 2 . . . . 146 LYS HB2 . 15525 2 1696 . 2 2 149 149 LYS HB3 H 1 1.269 0.008 . 2 . . . . 146 LYS HB3 . 15525 2 1697 . 2 2 149 149 LYS HD2 H 1 0.938 0.019 . 2 . . . . 146 LYS HD2 . 15525 2 1698 . 2 2 149 149 LYS HD3 H 1 0.960 0.011 . 2 . . . . 146 LYS HD3 . 15525 2 1699 . 2 2 149 149 LYS HE2 H 1 2.335 0.006 . 2 . . . . 146 LYS HE2 . 15525 2 1700 . 2 2 149 149 LYS HE3 H 1 2.528 0.006 . 2 . . . . 146 LYS HE3 . 15525 2 1701 . 2 2 149 149 LYS HG2 H 1 0.433 0.010 . 2 . . . . 146 LYS HG2 . 15525 2 1702 . 2 2 149 149 LYS HG3 H 1 -0.445 0.006 . 2 . . . . 146 LYS HG3 . 15525 2 1703 . 2 2 149 149 LYS C C 13 174.066 0.000 . 1 . . . . 146 LYS C . 15525 2 1704 . 2 2 149 149 LYS CA C 13 56.543 0.053 . 1 . . . . 146 LYS CA . 15525 2 1705 . 2 2 149 149 LYS CB C 13 30.076 0.095 . 1 . . . . 146 LYS CB . 15525 2 1706 . 2 2 149 149 LYS CD C 13 26.110 0.043 . 1 . . . . 146 LYS CD . 15525 2 1707 . 2 2 149 149 LYS CE C 13 40.907 0.067 . 1 . . . . 146 LYS CE . 15525 2 1708 . 2 2 149 149 LYS CG C 13 21.363 0.042 . 1 . . . . 146 LYS CG . 15525 2 1709 . 2 2 149 149 LYS N N 15 123.421 0.042 . 1 . . . . 146 LYS N . 15525 2 1710 . 2 2 150 150 ALA H H 1 7.745 0.008 . 1 . . . . 147 ALA H . 15525 2 1711 . 2 2 150 150 ALA HA H 1 3.715 0.006 . 1 . . . . 147 ALA HA . 15525 2 1712 . 2 2 150 150 ALA HB1 H 1 1.359 0.004 . 1 . . . . 147 ALA HB1 . 15525 2 1713 . 2 2 150 150 ALA HB2 H 1 1.359 0.004 . 1 . . . . 147 ALA HB2 . 15525 2 1714 . 2 2 150 150 ALA HB3 H 1 1.359 0.004 . 1 . . . . 147 ALA HB3 . 15525 2 1715 . 2 2 150 150 ALA C C 13 177.138 0.000 . 1 . . . . 147 ALA C . 15525 2 1716 . 2 2 150 150 ALA CA C 13 55.476 0.028 . 1 . . . . 147 ALA CA . 15525 2 1717 . 2 2 150 150 ALA CB C 13 17.842 0.026 . 1 . . . . 147 ALA CB . 15525 2 1718 . 2 2 150 150 ALA N N 15 119.450 0.047 . 1 . . . . 147 ALA N . 15525 2 1719 . 2 2 151 151 GLU H H 1 8.166 0.005 . 1 . . . . 148 GLU H . 15525 2 1720 . 2 2 151 151 GLU HA H 1 4.069 0.006 . 1 . . . . 148 GLU HA . 15525 2 1721 . 2 2 151 151 GLU HB2 H 1 2.081 0.010 . 2 . . . . 148 GLU HB2 . 15525 2 1722 . 2 2 151 151 GLU HB3 H 1 2.002 0.009 . 2 . . . . 148 GLU HB3 . 15525 2 1723 . 2 2 151 151 GLU HG2 H 1 2.189 0.003 . 2 . . . . 148 GLU HG2 . 15525 2 1724 . 2 2 151 151 GLU HG3 H 1 2.366 0.005 . 2 . . . . 148 GLU HG3 . 15525 2 1725 . 2 2 151 151 GLU C C 13 178.401 0.000 . 1 . . . . 148 GLU C . 15525 2 1726 . 2 2 151 151 GLU CA C 13 59.537 0.050 . 1 . . . . 148 GLU CA . 15525 2 1727 . 2 2 151 151 GLU CB C 13 29.232 0.056 . 1 . . . . 148 GLU CB . 15525 2 1728 . 2 2 151 151 GLU CG C 13 36.575 0.060 . 1 . . . . 148 GLU CG . 15525 2 1729 . 2 2 151 151 GLU N N 15 116.789 0.079 . 1 . . . . 148 GLU N . 15525 2 1730 . 2 2 152 152 GLU H H 1 7.732 0.004 . 1 . . . . 149 GLU H . 15525 2 1731 . 2 2 152 152 GLU HA H 1 3.935 0.005 . 1 . . . . 149 GLU HA . 15525 2 1732 . 2 2 152 152 GLU HB2 H 1 2.019 0.008 . 2 . . . . 149 GLU HB2 . 15525 2 1733 . 2 2 152 152 GLU HB3 H 1 2.019 0.008 . 2 . . . . 149 GLU HB3 . 15525 2 1734 . 2 2 152 152 GLU HG2 H 1 2.344 0.004 . 2 . . . . 149 GLU HG2 . 15525 2 1735 . 2 2 152 152 GLU HG3 H 1 2.069 0.003 . 2 . . . . 149 GLU HG3 . 15525 2 1736 . 2 2 152 152 GLU C C 13 176.644 0.000 . 1 . . . . 149 GLU C . 15525 2 1737 . 2 2 152 152 GLU CA C 13 59.466 0.047 . 1 . . . . 149 GLU CA . 15525 2 1738 . 2 2 152 152 GLU CB C 13 29.109 0.025 . 1 . . . . 149 GLU CB . 15525 2 1739 . 2 2 152 152 GLU CG C 13 35.999 0.017 . 1 . . . . 149 GLU CG . 15525 2 1740 . 2 2 152 152 GLU N N 15 122.914 0.049 . 1 . . . . 149 GLU N . 15525 2 1741 . 2 2 153 153 TRP H H 1 7.736 0.005 . 1 . . . . 150 TRP H . 15525 2 1742 . 2 2 153 153 TRP HA H 1 4.737 0.002 . 1 . . . . 150 TRP HA . 15525 2 1743 . 2 2 153 153 TRP HB2 H 1 3.354 0.006 . 2 . . . . 150 TRP HB2 . 15525 2 1744 . 2 2 153 153 TRP HB3 H 1 3.089 0.010 . 2 . . . . 150 TRP HB3 . 15525 2 1745 . 2 2 153 153 TRP HD1 H 1 6.808 0.010 . 1 . . . . 150 TRP HD1 . 15525 2 1746 . 2 2 153 153 TRP HE1 H 1 9.818 0.002 . 1 . . . . 150 TRP HE1 . 15525 2 1747 . 2 2 153 153 TRP HE3 H 1 6.921 0.005 . 1 . . . . 150 TRP HE3 . 15525 2 1748 . 2 2 153 153 TRP HH2 H 1 6.813 0.006 . 1 . . . . 150 TRP HH2 . 15525 2 1749 . 2 2 153 153 TRP HZ2 H 1 7.040 0.004 . 1 . . . . 150 TRP HZ2 . 15525 2 1750 . 2 2 153 153 TRP HZ3 H 1 6.607 0.005 . 1 . . . . 150 TRP HZ3 . 15525 2 1751 . 2 2 153 153 TRP C C 13 174.239 0.000 . 1 . . . . 150 TRP C . 15525 2 1752 . 2 2 153 153 TRP CA C 13 54.867 0.003 . 1 . . . . 150 TRP CA . 15525 2 1753 . 2 2 153 153 TRP CB C 13 30.143 0.048 . 1 . . . . 150 TRP CB . 15525 2 1754 . 2 2 153 153 TRP CD1 C 13 122.598 0.037 . 1 . . . . 150 TRP CD1 . 15525 2 1755 . 2 2 153 153 TRP CE3 C 13 118.863 0.048 . 1 . . . . 150 TRP CE3 . 15525 2 1756 . 2 2 153 153 TRP CH2 C 13 123.253 0.043 . 1 . . . . 150 TRP CH2 . 15525 2 1757 . 2 2 153 153 TRP CZ2 C 13 113.632 0.051 . 1 . . . . 150 TRP CZ2 . 15525 2 1758 . 2 2 153 153 TRP CZ3 C 13 120.653 0.066 . 1 . . . . 150 TRP CZ3 . 15525 2 1759 . 2 2 153 153 TRP N N 15 118.538 0.062 . 1 . . . . 150 TRP N . 15525 2 1760 . 2 2 153 153 TRP NE1 N 15 127.032 0.065 . 1 . . . . 150 TRP NE1 . 15525 2 1761 . 2 2 154 154 GLY H H 1 8.240 0.003 . 1 . . . . 151 GLY H . 15525 2 1762 . 2 2 154 154 GLY HA2 H 1 4.029 0.010 . 2 . . . . 151 GLY HA2 . 15525 2 1763 . 2 2 154 154 GLY HA3 H 1 4.002 0.013 . 2 . . . . 151 GLY HA3 . 15525 2 1764 . 2 2 154 154 GLY C C 13 172.885 0.000 . 1 . . . . 151 GLY C . 15525 2 1765 . 2 2 154 154 GLY CA C 13 46.602 0.038 . 1 . . . . 151 GLY CA . 15525 2 1766 . 2 2 154 154 GLY N N 15 111.138 0.029 . 1 . . . . 151 GLY N . 15525 2 1767 . 2 2 155 155 VAL H H 1 8.236 0.008 . 1 . . . . 152 VAL H . 15525 2 1768 . 2 2 155 155 VAL HA H 1 4.983 0.004 . 1 . . . . 152 VAL HA . 15525 2 1769 . 2 2 155 155 VAL HB H 1 2.693 0.004 . 1 . . . . 152 VAL HB . 15525 2 1770 . 2 2 155 155 VAL HG11 H 1 1.031 0.010 . 2 . . . . 152 VAL HG11 . 15525 2 1771 . 2 2 155 155 VAL HG12 H 1 1.031 0.010 . 2 . . . . 152 VAL HG12 . 15525 2 1772 . 2 2 155 155 VAL HG13 H 1 1.031 0.010 . 2 . . . . 152 VAL HG13 . 15525 2 1773 . 2 2 155 155 VAL HG21 H 1 0.980 0.010 . 2 . . . . 152 VAL HG21 . 15525 2 1774 . 2 2 155 155 VAL HG22 H 1 0.980 0.010 . 2 . . . . 152 VAL HG22 . 15525 2 1775 . 2 2 155 155 VAL HG23 H 1 0.980 0.010 . 2 . . . . 152 VAL HG23 . 15525 2 1776 . 2 2 155 155 VAL C C 13 172.284 0.000 . 1 . . . . 152 VAL C . 15525 2 1777 . 2 2 155 155 VAL CA C 13 58.876 0.033 . 1 . . . . 152 VAL CA . 15525 2 1778 . 2 2 155 155 VAL CB C 13 35.632 0.061 . 1 . . . . 152 VAL CB . 15525 2 1779 . 2 2 155 155 VAL CG1 C 13 18.979 0.034 . 2 . . . . 152 VAL CG1 . 15525 2 1780 . 2 2 155 155 VAL CG2 C 13 22.668 0.082 . 2 . . . . 152 VAL CG2 . 15525 2 1781 . 2 2 155 155 VAL N N 15 112.397 0.055 . 1 . . . . 152 VAL N . 15525 2 1782 . 2 2 156 156 GLN H H 1 8.797 0.003 . 1 . . . . 153 GLN H . 15525 2 1783 . 2 2 156 156 GLN HA H 1 4.353 0.005 . 1 . . . . 153 GLN HA . 15525 2 1784 . 2 2 156 156 GLN HB2 H 1 1.941 0.011 . 2 . . . . 153 GLN HB2 . 15525 2 1785 . 2 2 156 156 GLN HB3 H 1 1.941 0.011 . 2 . . . . 153 GLN HB3 . 15525 2 1786 . 2 2 156 156 GLN HE21 H 1 7.113 0.003 . 1 . . . . 153 GLN HE21 . 15525 2 1787 . 2 2 156 156 GLN HE22 H 1 7.495 0.003 . 1 . . . . 153 GLN HE22 . 15525 2 1788 . 2 2 156 156 GLN HG2 H 1 2.366 0.006 . 2 . . . . 153 GLN HG2 . 15525 2 1789 . 2 2 156 156 GLN HG3 H 1 2.262 0.007 . 2 . . . . 153 GLN HG3 . 15525 2 1790 . 2 2 156 156 GLN C C 13 171.540 0.000 . 1 . . . . 153 GLN C . 15525 2 1791 . 2 2 156 156 GLN CA C 13 55.243 0.049 . 1 . . . . 153 GLN CA . 15525 2 1792 . 2 2 156 156 GLN CB C 13 30.556 0.036 . 1 . . . . 153 GLN CB . 15525 2 1793 . 2 2 156 156 GLN CD C 13 178.084 0.002 . 1 . . . . 153 GLN CD . 15525 2 1794 . 2 2 156 156 GLN CG C 13 34.419 0.060 . 1 . . . . 153 GLN CG . 15525 2 1795 . 2 2 156 156 GLN N N 15 118.627 0.048 . 1 . . . . 153 GLN N . 15525 2 1796 . 2 2 156 156 GLN NE2 N 15 113.512 0.132 . 1 . . . . 153 GLN NE2 . 15525 2 1797 . 2 2 157 157 TYR H H 1 8.105 0.008 . 1 . . . . 154 TYR H . 15525 2 1798 . 2 2 157 157 TYR HA H 1 5.777 0.007 . 1 . . . . 154 TYR HA . 15525 2 1799 . 2 2 157 157 TYR HB2 H 1 2.563 0.007 . 2 . . . . 154 TYR HB2 . 15525 2 1800 . 2 2 157 157 TYR HB3 H 1 2.724 0.003 . 2 . . . . 154 TYR HB3 . 15525 2 1801 . 2 2 157 157 TYR HD1 H 1 6.854 0.004 . 3 . . . . 154 TYR HD1 . 15525 2 1802 . 2 2 157 157 TYR HD2 H 1 6.854 0.004 . 3 . . . . 154 TYR HD2 . 15525 2 1803 . 2 2 157 157 TYR HE1 H 1 6.660 0.009 . 3 . . . . 154 TYR HE1 . 15525 2 1804 . 2 2 157 157 TYR HE2 H 1 6.660 0.009 . 3 . . . . 154 TYR HE2 . 15525 2 1805 . 2 2 157 157 TYR HH H 1 11.414 0.004 . 1 . . . . 154 TYR HH . 15525 2 1806 . 2 2 157 157 TYR C C 13 172.803 0.000 . 1 . . . . 154 TYR C . 15525 2 1807 . 2 2 157 157 TYR CA C 13 55.138 0.059 . 1 . . . . 154 TYR CA . 15525 2 1808 . 2 2 157 157 TYR CB C 13 41.318 0.030 . 1 . . . . 154 TYR CB . 15525 2 1809 . 2 2 157 157 TYR CD1 C 13 132.003 0.092 . 3 . . . . 154 TYR CD1 . 15525 2 1810 . 2 2 157 157 TYR CD2 C 13 132.003 0.092 . 3 . . . . 154 TYR CD2 . 15525 2 1811 . 2 2 157 157 TYR CE1 C 13 119.539 0.095 . 3 . . . . 154 TYR CE1 . 15525 2 1812 . 2 2 157 157 TYR CE2 C 13 119.539 0.095 . 3 . . . . 154 TYR CE2 . 15525 2 1813 . 2 2 157 157 TYR N N 15 120.150 0.064 . 1 . . . . 154 TYR N . 15525 2 1814 . 2 2 158 158 VAL H H 1 8.240 0.006 . 1 . . . . 155 VAL H . 15525 2 1815 . 2 2 158 158 VAL HA H 1 3.690 0.003 . 1 . . . . 155 VAL HA . 15525 2 1816 . 2 2 158 158 VAL HB H 1 1.382 0.004 . 1 . . . . 155 VAL HB . 15525 2 1817 . 2 2 158 158 VAL HG11 H 1 0.674 0.007 . 2 . . . . 155 VAL HG11 . 15525 2 1818 . 2 2 158 158 VAL HG12 H 1 0.674 0.007 . 2 . . . . 155 VAL HG12 . 15525 2 1819 . 2 2 158 158 VAL HG13 H 1 0.674 0.007 . 2 . . . . 155 VAL HG13 . 15525 2 1820 . 2 2 158 158 VAL HG21 H 1 0.605 0.014 . 2 . . . . 155 VAL HG21 . 15525 2 1821 . 2 2 158 158 VAL HG22 H 1 0.605 0.014 . 2 . . . . 155 VAL HG22 . 15525 2 1822 . 2 2 158 158 VAL HG23 H 1 0.605 0.014 . 2 . . . . 155 VAL HG23 . 15525 2 1823 . 2 2 158 158 VAL C C 13 170.745 0.000 . 1 . . . . 155 VAL C . 15525 2 1824 . 2 2 158 158 VAL CA C 13 60.366 0.053 . 1 . . . . 155 VAL CA . 15525 2 1825 . 2 2 158 158 VAL CB C 13 36.197 0.043 . 1 . . . . 155 VAL CB . 15525 2 1826 . 2 2 158 158 VAL CG1 C 13 22.111 0.031 . 2 . . . . 155 VAL CG1 . 15525 2 1827 . 2 2 158 158 VAL CG2 C 13 22.080 0.042 . 2 . . . . 155 VAL CG2 . 15525 2 1828 . 2 2 158 158 VAL N N 15 129.201 0.036 . 1 . . . . 155 VAL N . 15525 2 1829 . 2 2 159 159 GLU H H 1 8.182 0.009 . 1 . . . . 156 GLU H . 15525 2 1830 . 2 2 159 159 GLU HA H 1 5.119 0.005 . 1 . . . . 156 GLU HA . 15525 2 1831 . 2 2 159 159 GLU HB2 H 1 1.658 0.010 . 2 . . . . 156 GLU HB2 . 15525 2 1832 . 2 2 159 159 GLU HB3 H 1 1.658 0.010 . 2 . . . . 156 GLU HB3 . 15525 2 1833 . 2 2 159 159 GLU HG2 H 1 2.178 0.007 . 2 . . . . 156 GLU HG2 . 15525 2 1834 . 2 2 159 159 GLU HG3 H 1 2.178 0.007 . 2 . . . . 156 GLU HG3 . 15525 2 1835 . 2 2 159 159 GLU C C 13 174.873 0.000 . 1 . . . . 156 GLU C . 15525 2 1836 . 2 2 159 159 GLU CA C 13 54.980 0.023 . 1 . . . . 156 GLU CA . 15525 2 1837 . 2 2 159 159 GLU CB C 13 30.524 0.122 . 1 . . . . 156 GLU CB . 15525 2 1838 . 2 2 159 159 GLU CG C 13 36.234 0.104 . 1 . . . . 156 GLU CG . 15525 2 1839 . 2 2 159 159 GLU N N 15 122.665 0.074 . 1 . . . . 156 GLU N . 15525 2 1840 . 2 2 160 160 THR H H 1 8.826 0.012 . 1 . . . . 157 THR H . 15525 2 1841 . 2 2 160 160 THR HA H 1 4.770 0.010 . 1 . . . . 157 THR HA . 15525 2 1842 . 2 2 160 160 THR HB H 1 3.860 0.004 . 1 . . . . 157 THR HB . 15525 2 1843 . 2 2 160 160 THR HG21 H 1 0.662 0.002 . 1 . . . . 157 THR HG21 . 15525 2 1844 . 2 2 160 160 THR HG22 H 1 0.662 0.002 . 1 . . . . 157 THR HG22 . 15525 2 1845 . 2 2 160 160 THR HG23 H 1 0.662 0.002 . 1 . . . . 157 THR HG23 . 15525 2 1846 . 2 2 160 160 THR C C 13 173.285 0.000 . 1 . . . . 157 THR C . 15525 2 1847 . 2 2 160 160 THR CA C 13 59.609 0.022 . 1 . . . . 157 THR CA . 15525 2 1848 . 2 2 160 160 THR CB C 13 73.381 0.019 . 1 . . . . 157 THR CB . 15525 2 1849 . 2 2 160 160 THR CG2 C 13 22.939 0.082 . 1 . . . . 157 THR CG2 . 15525 2 1850 . 2 2 160 160 THR N N 15 114.155 0.077 . 1 . . . . 157 THR N . 15525 2 1851 . 2 2 161 161 SER H H 1 8.031 0.007 . 1 . . . . 158 SER H . 15525 2 1852 . 2 2 161 161 SER HA H 1 4.871 0.002 . 1 . . . . 158 SER HA . 15525 2 1853 . 2 2 161 161 SER HB2 H 1 3.737 0.004 . 2 . . . . 158 SER HB2 . 15525 2 1854 . 2 2 161 161 SER HB3 H 1 3.862 0.001 . 2 . . . . 158 SER HB3 . 15525 2 1855 . 2 2 161 161 SER C C 13 173.322 0.000 . 1 . . . . 158 SER C . 15525 2 1856 . 2 2 161 161 SER CA C 13 57.616 0.009 . 1 . . . . 158 SER CA . 15525 2 1857 . 2 2 161 161 SER CB C 13 64.145 0.030 . 1 . . . . 158 SER CB . 15525 2 1858 . 2 2 161 161 SER N N 15 110.549 0.047 . 1 . . . . 158 SER N . 15525 2 1859 . 2 2 162 162 ALA H H 1 9.029 0.005 . 1 . . . . 159 ALA H . 15525 2 1860 . 2 2 162 162 ALA HA H 1 3.845 0.005 . 1 . . . . 159 ALA HA . 15525 2 1861 . 2 2 162 162 ALA HB1 H 1 1.508 0.005 . 1 . . . . 159 ALA HB1 . 15525 2 1862 . 2 2 162 162 ALA HB2 H 1 1.508 0.005 . 1 . . . . 159 ALA HB2 . 15525 2 1863 . 2 2 162 162 ALA HB3 H 1 1.508 0.005 . 1 . . . . 159 ALA HB3 . 15525 2 1864 . 2 2 162 162 ALA C C 13 173.391 0.000 . 1 . . . . 159 ALA C . 15525 2 1865 . 2 2 162 162 ALA CA C 13 54.769 0.055 . 1 . . . . 159 ALA CA . 15525 2 1866 . 2 2 162 162 ALA CB C 13 18.612 0.066 . 1 . . . . 159 ALA CB . 15525 2 1867 . 2 2 162 162 ALA N N 15 132.038 0.081 . 1 . . . . 159 ALA N . 15525 2 1868 . 2 2 163 163 LYS H H 1 6.876 0.006 . 1 . . . . 160 LYS H . 15525 2 1869 . 2 2 163 163 LYS HA H 1 2.214 0.009 . 1 . . . . 160 LYS HA . 15525 2 1870 . 2 2 163 163 LYS HB2 H 1 0.986 0.009 . 2 . . . . 160 LYS HB2 . 15525 2 1871 . 2 2 163 163 LYS HB3 H 1 0.429 0.007 . 2 . . . . 160 LYS HB3 . 15525 2 1872 . 2 2 163 163 LYS HD2 H 1 1.321 0.006 . 2 . . . . 160 LYS HD2 . 15525 2 1873 . 2 2 163 163 LYS HD3 H 1 1.193 0.005 . 2 . . . . 160 LYS HD3 . 15525 2 1874 . 2 2 163 163 LYS HE2 H 1 2.706 0.007 . 2 . . . . 160 LYS HE2 . 15525 2 1875 . 2 2 163 163 LYS HE3 H 1 2.696 0.007 . 2 . . . . 160 LYS HE3 . 15525 2 1876 . 2 2 163 163 LYS HG2 H 1 0.290 0.008 . 2 . . . . 160 LYS HG2 . 15525 2 1877 . 2 2 163 163 LYS HG3 H 1 0.600 0.007 . 2 . . . . 160 LYS HG3 . 15525 2 1878 . 2 2 163 163 LYS C C 13 174.651 0.000 . 1 . . . . 160 LYS C . 15525 2 1879 . 2 2 163 163 LYS CA C 13 58.290 0.057 . 1 . . . . 160 LYS CA . 15525 2 1880 . 2 2 163 163 LYS CB C 13 34.016 0.055 . 1 . . . . 160 LYS CB . 15525 2 1881 . 2 2 163 163 LYS CD C 13 29.710 0.080 . 1 . . . . 160 LYS CD . 15525 2 1882 . 2 2 163 163 LYS CE C 13 42.118 0.051 . 1 . . . . 160 LYS CE . 15525 2 1883 . 2 2 163 163 LYS CG C 13 24.749 0.098 . 1 . . . . 160 LYS CG . 15525 2 1884 . 2 2 163 163 LYS N N 15 115.128 0.052 . 1 . . . . 160 LYS N . 15525 2 1885 . 2 2 164 164 THR H H 1 7.668 0.003 . 1 . . . . 161 THR H . 15525 2 1886 . 2 2 164 164 THR HA H 1 4.047 0.004 . 1 . . . . 161 THR HA . 15525 2 1887 . 2 2 164 164 THR HB H 1 4.345 0.004 . 1 . . . . 161 THR HB . 15525 2 1888 . 2 2 164 164 THR HG1 H 1 5.249 0.007 . 1 . . . . 161 THR HG1 . 15525 2 1889 . 2 2 164 164 THR HG21 H 1 0.965 0.003 . 1 . . . . 161 THR HG21 . 15525 2 1890 . 2 2 164 164 THR HG22 H 1 0.965 0.003 . 1 . . . . 161 THR HG22 . 15525 2 1891 . 2 2 164 164 THR HG23 H 1 0.965 0.003 . 1 . . . . 161 THR HG23 . 15525 2 1892 . 2 2 164 164 THR C C 13 173.057 0.000 . 1 . . . . 161 THR C . 15525 2 1893 . 2 2 164 164 THR CA C 13 61.351 0.052 . 1 . . . . 161 THR CA . 15525 2 1894 . 2 2 164 164 THR CB C 13 69.200 0.035 . 1 . . . . 161 THR CB . 15525 2 1895 . 2 2 164 164 THR CG2 C 13 21.242 0.082 . 1 . . . . 161 THR CG2 . 15525 2 1896 . 2 2 164 164 THR N N 15 105.784 0.067 . 1 . . . . 161 THR N . 15525 2 1897 . 2 2 165 165 ARG H H 1 7.634 0.006 . 1 . . . . 162 ARG H . 15525 2 1898 . 2 2 165 165 ARG HA H 1 3.440 0.015 . 1 . . . . 162 ARG HA . 15525 2 1899 . 2 2 165 165 ARG HB2 H 1 2.139 0.006 . 2 . . . . 162 ARG HB2 . 15525 2 1900 . 2 2 165 165 ARG HB3 H 1 2.139 0.006 . 2 . . . . 162 ARG HB3 . 15525 2 1901 . 2 2 165 165 ARG HD2 H 1 3.055 0.009 . 2 . . . . 162 ARG HD2 . 15525 2 1902 . 2 2 165 165 ARG HD3 H 1 3.055 0.009 . 2 . . . . 162 ARG HD3 . 15525 2 1903 . 2 2 165 165 ARG HE H 1 6.887 0.005 . 1 . . . . 162 ARG HE . 15525 2 1904 . 2 2 165 165 ARG HG2 H 1 1.736 0.020 . 2 . . . . 162 ARG HG2 . 15525 2 1905 . 2 2 165 165 ARG HG3 H 1 1.198 0.005 . 2 . . . . 162 ARG HG3 . 15525 2 1906 . 2 2 165 165 ARG C C 13 173.434 0.000 . 1 . . . . 162 ARG C . 15525 2 1907 . 2 2 165 165 ARG CA C 13 58.552 0.098 . 1 . . . . 162 ARG CA . 15525 2 1908 . 2 2 165 165 ARG CB C 13 30.197 0.062 . 1 . . . . 162 ARG CB . 15525 2 1909 . 2 2 165 165 ARG CD C 13 43.251 0.030 . 1 . . . . 162 ARG CD . 15525 2 1910 . 2 2 165 165 ARG CG C 13 32.266 0.048 . 1 . . . . 162 ARG CG . 15525 2 1911 . 2 2 165 165 ARG N N 15 118.938 0.058 . 1 . . . . 162 ARG N . 15525 2 1912 . 2 2 165 165 ARG NE N 15 84.261 0.036 . 1 . . . . 162 ARG NE . 15525 2 1913 . 2 2 166 166 ALA H H 1 7.562 0.006 . 1 . . . . 163 ALA H . 15525 2 1914 . 2 2 166 166 ALA HA H 1 4.069 0.002 . 1 . . . . 163 ALA HA . 15525 2 1915 . 2 2 166 166 ALA HB1 H 1 1.119 0.002 . 1 . . . . 163 ALA HB1 . 15525 2 1916 . 2 2 166 166 ALA HB2 H 1 1.119 0.002 . 1 . . . . 163 ALA HB2 . 15525 2 1917 . 2 2 166 166 ALA HB3 H 1 1.119 0.002 . 1 . . . . 163 ALA HB3 . 15525 2 1918 . 2 2 166 166 ALA C C 13 175.194 0.000 . 1 . . . . 163 ALA C . 15525 2 1919 . 2 2 166 166 ALA CA C 13 54.044 0.038 . 1 . . . . 163 ALA CA . 15525 2 1920 . 2 2 166 166 ALA CB C 13 18.406 0.054 . 1 . . . . 163 ALA CB . 15525 2 1921 . 2 2 166 166 ALA N N 15 126.151 0.031 . 1 . . . . 163 ALA N . 15525 2 1922 . 2 2 167 167 ASN H H 1 8.942 0.007 . 1 . . . . 164 ASN H . 15525 2 1923 . 2 2 167 167 ASN HA H 1 4.526 0.006 . 1 . . . . 164 ASN HA . 15525 2 1924 . 2 2 167 167 ASN HB2 H 1 3.181 0.007 . 2 . . . . 164 ASN HB2 . 15525 2 1925 . 2 2 167 167 ASN HB3 H 1 2.727 0.006 . 2 . . . . 164 ASN HB3 . 15525 2 1926 . 2 2 167 167 ASN HD21 H 1 6.776 0.005 . 1 . . . . 164 ASN HD21 . 15525 2 1927 . 2 2 167 167 ASN HD22 H 1 7.829 0.005 . 1 . . . . 164 ASN HD22 . 15525 2 1928 . 2 2 167 167 ASN C C 13 171.515 0.000 . 1 . . . . 164 ASN C . 15525 2 1929 . 2 2 167 167 ASN CA C 13 54.266 0.041 . 1 . . . . 164 ASN CA . 15525 2 1930 . 2 2 167 167 ASN CB C 13 37.070 0.075 . 1 . . . . 164 ASN CB . 15525 2 1931 . 2 2 167 167 ASN N N 15 115.708 0.052 . 1 . . . . 164 ASN N . 15525 2 1932 . 2 2 167 167 ASN ND2 N 15 111.502 0.045 . 1 . . . . 164 ASN ND2 . 15525 2 1933 . 2 2 168 168 VAL H H 1 7.285 0.006 . 1 . . . . 165 VAL H . 15525 2 1934 . 2 2 168 168 VAL HA H 1 3.364 0.004 . 1 . . . . 165 VAL HA . 15525 2 1935 . 2 2 168 168 VAL HB H 1 1.834 0.004 . 1 . . . . 165 VAL HB . 15525 2 1936 . 2 2 168 168 VAL HG11 H 1 0.742 0.003 . 2 . . . . 165 VAL HG11 . 15525 2 1937 . 2 2 168 168 VAL HG12 H 1 0.742 0.003 . 2 . . . . 165 VAL HG12 . 15525 2 1938 . 2 2 168 168 VAL HG13 H 1 0.742 0.003 . 2 . . . . 165 VAL HG13 . 15525 2 1939 . 2 2 168 168 VAL HG21 H 1 1.024 0.006 . 2 . . . . 165 VAL HG21 . 15525 2 1940 . 2 2 168 168 VAL HG22 H 1 1.024 0.006 . 2 . . . . 165 VAL HG22 . 15525 2 1941 . 2 2 168 168 VAL HG23 H 1 1.024 0.006 . 2 . . . . 165 VAL HG23 . 15525 2 1942 . 2 2 168 168 VAL C C 13 173.722 0.000 . 1 . . . . 165 VAL C . 15525 2 1943 . 2 2 168 168 VAL CA C 13 67.725 0.047 . 1 . . . . 165 VAL CA . 15525 2 1944 . 2 2 168 168 VAL CB C 13 31.479 0.036 . 1 . . . . 165 VAL CB . 15525 2 1945 . 2 2 168 168 VAL CG1 C 13 24.689 0.050 . 2 . . . . 165 VAL CG1 . 15525 2 1946 . 2 2 168 168 VAL CG2 C 13 21.338 0.018 . 2 . . . . 165 VAL CG2 . 15525 2 1947 . 2 2 168 168 VAL N N 15 119.506 0.062 . 1 . . . . 165 VAL N . 15525 2 1948 . 2 2 169 169 ASP H H 1 7.976 0.004 . 1 . . . . 166 ASP H . 15525 2 1949 . 2 2 169 169 ASP HA H 1 4.455 0.004 . 1 . . . . 166 ASP HA . 15525 2 1950 . 2 2 169 169 ASP HB2 H 1 2.455 0.010 . 2 . . . . 166 ASP HB2 . 15525 2 1951 . 2 2 169 169 ASP HB3 H 1 2.405 0.010 . 2 . . . . 166 ASP HB3 . 15525 2 1952 . 2 2 169 169 ASP C C 13 177.446 0.000 . 1 . . . . 166 ASP C . 15525 2 1953 . 2 2 169 169 ASP CA C 13 58.077 0.045 . 1 . . . . 166 ASP CA . 15525 2 1954 . 2 2 169 169 ASP CB C 13 39.565 0.052 . 1 . . . . 166 ASP CB . 15525 2 1955 . 2 2 169 169 ASP N N 15 116.182 0.046 . 1 . . . . 166 ASP N . 15525 2 1956 . 2 2 170 170 LYS H H 1 7.666 0.003 . 1 . . . . 167 LYS H . 15525 2 1957 . 2 2 170 170 LYS HA H 1 3.865 0.012 . 1 . . . . 167 LYS HA . 15525 2 1958 . 2 2 170 170 LYS HB2 H 1 1.709 0.004 . 2 . . . . 167 LYS HB2 . 15525 2 1959 . 2 2 170 170 LYS HB3 H 1 1.469 0.007 . 2 . . . . 167 LYS HB3 . 15525 2 1960 . 2 2 170 170 LYS HD2 H 1 1.242 0.004 . 2 . . . . 167 LYS HD2 . 15525 2 1961 . 2 2 170 170 LYS HD3 H 1 1.554 0.002 . 2 . . . . 167 LYS HD3 . 15525 2 1962 . 2 2 170 170 LYS HE2 H 1 2.638 0.005 . 2 . . . . 167 LYS HE2 . 15525 2 1963 . 2 2 170 170 LYS HE3 H 1 3.041 0.003 . 2 . . . . 167 LYS HE3 . 15525 2 1964 . 2 2 170 170 LYS HG2 H 1 1.382 0.010 . 2 . . . . 167 LYS HG2 . 15525 2 1965 . 2 2 170 170 LYS HG3 H 1 1.382 0.009 . 2 . . . . 167 LYS HG3 . 15525 2 1966 . 2 2 170 170 LYS C C 13 175.439 0.000 . 1 . . . . 167 LYS C . 15525 2 1967 . 2 2 170 170 LYS CA C 13 59.669 0.120 . 1 . . . . 167 LYS CA . 15525 2 1968 . 2 2 170 170 LYS CB C 13 32.536 0.048 . 1 . . . . 167 LYS CB . 15525 2 1969 . 2 2 170 170 LYS CD C 13 29.601 0.043 . 1 . . . . 167 LYS CD . 15525 2 1970 . 2 2 170 170 LYS CE C 13 42.367 0.072 . 1 . . . . 167 LYS CE . 15525 2 1971 . 2 2 170 170 LYS CG C 13 24.767 0.022 . 1 . . . . 167 LYS CG . 15525 2 1972 . 2 2 170 170 LYS N N 15 117.086 0.045 . 1 . . . . 167 LYS N . 15525 2 1973 . 2 2 171 171 VAL H H 1 7.324 0.005 . 1 . . . . 168 VAL H . 15525 2 1974 . 2 2 171 171 VAL HA H 1 3.668 0.006 . 1 . . . . 168 VAL HA . 15525 2 1975 . 2 2 171 171 VAL HB H 1 1.679 0.005 . 1 . . . . 168 VAL HB . 15525 2 1976 . 2 2 171 171 VAL HG11 H 1 0.654 0.006 . 2 . . . . 168 VAL HG11 . 15525 2 1977 . 2 2 171 171 VAL HG12 H 1 0.654 0.006 . 2 . . . . 168 VAL HG12 . 15525 2 1978 . 2 2 171 171 VAL HG13 H 1 0.654 0.006 . 2 . . . . 168 VAL HG13 . 15525 2 1979 . 2 2 171 171 VAL HG21 H 1 0.706 0.006 . 2 . . . . 168 VAL HG21 . 15525 2 1980 . 2 2 171 171 VAL HG22 H 1 0.706 0.006 . 2 . . . . 168 VAL HG22 . 15525 2 1981 . 2 2 171 171 VAL HG23 H 1 0.706 0.006 . 2 . . . . 168 VAL HG23 . 15525 2 1982 . 2 2 171 171 VAL C C 13 174.452 0.000 . 1 . . . . 168 VAL C . 15525 2 1983 . 2 2 171 171 VAL CA C 13 66.043 0.037 . 1 . . . . 168 VAL CA . 15525 2 1984 . 2 2 171 171 VAL CB C 13 30.197 0.047 . 1 . . . . 168 VAL CB . 15525 2 1985 . 2 2 171 171 VAL CG1 C 13 18.437 0.048 . 2 . . . . 168 VAL CG1 . 15525 2 1986 . 2 2 171 171 VAL CG2 C 13 23.798 0.067 . 2 . . . . 168 VAL CG2 . 15525 2 1987 . 2 2 171 171 VAL N N 15 109.267 0.054 . 1 . . . . 168 VAL N . 15525 2 1988 . 2 2 172 172 PHE H H 1 6.627 0.012 . 1 . . . . 169 PHE H . 15525 2 1989 . 2 2 172 172 PHE HA H 1 3.663 0.004 . 1 . . . . 169 PHE HA . 15525 2 1990 . 2 2 172 172 PHE HB2 H 1 2.149 0.008 . 2 . . . . 169 PHE HB2 . 15525 2 1991 . 2 2 172 172 PHE HB3 H 1 1.906 0.011 . 2 . . . . 169 PHE HB3 . 15525 2 1992 . 2 2 172 172 PHE HD1 H 1 6.746 0.015 . 3 . . . . 169 PHE HD1 . 15525 2 1993 . 2 2 172 172 PHE HD2 H 1 6.746 0.015 . 3 . . . . 169 PHE HD2 . 15525 2 1994 . 2 2 172 172 PHE HE1 H 1 6.721 0.009 . 3 . . . . 169 PHE HE1 . 15525 2 1995 . 2 2 172 172 PHE HE2 H 1 6.721 0.009 . 3 . . . . 169 PHE HE2 . 15525 2 1996 . 2 2 172 172 PHE C C 13 175.976 0.000 . 1 . . . . 169 PHE C . 15525 2 1997 . 2 2 172 172 PHE CA C 13 63.179 0.081 . 1 . . . . 169 PHE CA . 15525 2 1998 . 2 2 172 172 PHE CB C 13 39.614 0.051 . 1 . . . . 169 PHE CB . 15525 2 1999 . 2 2 172 172 PHE CD1 C 13 130.806 0.065 . 3 . . . . 169 PHE CD1 . 15525 2 2000 . 2 2 172 172 PHE CD2 C 13 130.806 0.065 . 3 . . . . 169 PHE CD2 . 15525 2 2001 . 2 2 172 172 PHE CE1 C 13 128.521 0.081 . 3 . . . . 169 PHE CE1 . 15525 2 2002 . 2 2 172 172 PHE CE2 C 13 128.521 0.081 . 3 . . . . 169 PHE CE2 . 15525 2 2003 . 2 2 172 172 PHE N N 15 116.803 0.049 . 1 . . . . 169 PHE N . 15525 2 2004 . 2 2 173 173 PHE H H 1 8.894 0.004 . 1 . . . . 170 PHE H . 15525 2 2005 . 2 2 173 173 PHE HA H 1 4.111 0.004 . 1 . . . . 170 PHE HA . 15525 2 2006 . 2 2 173 173 PHE HB2 H 1 2.853 0.008 . 2 . . . . 170 PHE HB2 . 15525 2 2007 . 2 2 173 173 PHE HB3 H 1 3.225 0.008 . 2 . . . . 170 PHE HB3 . 15525 2 2008 . 2 2 173 173 PHE HD1 H 1 7.374 0.006 . 3 . . . . 170 PHE HD1 . 15525 2 2009 . 2 2 173 173 PHE HD2 H 1 7.374 0.006 . 3 . . . . 170 PHE HD2 . 15525 2 2010 . 2 2 173 173 PHE HE1 H 1 7.412 0.005 . 3 . . . . 170 PHE HE1 . 15525 2 2011 . 2 2 173 173 PHE HE2 H 1 7.412 0.005 . 3 . . . . 170 PHE HE2 . 15525 2 2012 . 2 2 173 173 PHE HZ H 1 7.280 0.004 . 1 . . . . 170 PHE HZ . 15525 2 2013 . 2 2 173 173 PHE C C 13 175.895 0.000 . 1 . . . . 170 PHE C . 15525 2 2014 . 2 2 173 173 PHE CA C 13 61.447 0.032 . 1 . . . . 170 PHE CA . 15525 2 2015 . 2 2 173 173 PHE CB C 13 37.795 0.043 . 1 . . . . 170 PHE CB . 15525 2 2016 . 2 2 173 173 PHE CD1 C 13 131.037 0.093 . 3 . . . . 170 PHE CD1 . 15525 2 2017 . 2 2 173 173 PHE CD2 C 13 131.037 0.093 . 3 . . . . 170 PHE CD2 . 15525 2 2018 . 2 2 173 173 PHE CE1 C 13 130.988 0.081 . 3 . . . . 170 PHE CE1 . 15525 2 2019 . 2 2 173 173 PHE CE2 C 13 130.988 0.081 . 3 . . . . 170 PHE CE2 . 15525 2 2020 . 2 2 173 173 PHE CZ C 13 129.645 0.082 . 1 . . . . 170 PHE CZ . 15525 2 2021 . 2 2 173 173 PHE N N 15 119.032 0.041 . 1 . . . . 170 PHE N . 15525 2 2022 . 2 2 174 174 ASP H H 1 9.463 0.004 . 1 . . . . 171 ASP H . 15525 2 2023 . 2 2 174 174 ASP HA H 1 4.353 0.005 . 1 . . . . 171 ASP HA . 15525 2 2024 . 2 2 174 174 ASP HB2 H 1 2.688 0.010 . 2 . . . . 171 ASP HB2 . 15525 2 2025 . 2 2 174 174 ASP HB3 H 1 2.377 0.008 . 2 . . . . 171 ASP HB3 . 15525 2 2026 . 2 2 174 174 ASP C C 13 178.229 0.000 . 1 . . . . 171 ASP C . 15525 2 2027 . 2 2 174 174 ASP CA C 13 57.644 0.072 . 1 . . . . 171 ASP CA . 15525 2 2028 . 2 2 174 174 ASP CB C 13 38.910 0.084 . 1 . . . . 171 ASP CB . 15525 2 2029 . 2 2 174 174 ASP N N 15 119.786 0.058 . 1 . . . . 171 ASP N . 15525 2 2030 . 2 2 175 175 LEU H H 1 7.515 0.008 . 1 . . . . 172 LEU H . 15525 2 2031 . 2 2 175 175 LEU HA H 1 3.943 0.003 . 1 . . . . 172 LEU HA . 15525 2 2032 . 2 2 175 175 LEU HB2 H 1 1.658 0.006 . 2 . . . . 172 LEU HB2 . 15525 2 2033 . 2 2 175 175 LEU HB3 H 1 1.402 0.005 . 2 . . . . 172 LEU HB3 . 15525 2 2034 . 2 2 175 175 LEU HD11 H 1 0.639 0.006 . 2 . . . . 172 LEU HD11 . 15525 2 2035 . 2 2 175 175 LEU HD12 H 1 0.639 0.006 . 2 . . . . 172 LEU HD12 . 15525 2 2036 . 2 2 175 175 LEU HD13 H 1 0.639 0.006 . 2 . . . . 172 LEU HD13 . 15525 2 2037 . 2 2 175 175 LEU HD21 H 1 0.575 0.009 . 2 . . . . 172 LEU HD21 . 15525 2 2038 . 2 2 175 175 LEU HD22 H 1 0.575 0.009 . 2 . . . . 172 LEU HD22 . 15525 2 2039 . 2 2 175 175 LEU HD23 H 1 0.575 0.009 . 2 . . . . 172 LEU HD23 . 15525 2 2040 . 2 2 175 175 LEU HG H 1 1.243 0.008 . 1 . . . . 172 LEU HG . 15525 2 2041 . 2 2 175 175 LEU C C 13 176.716 0.000 . 1 . . . . 172 LEU C . 15525 2 2042 . 2 2 175 175 LEU CA C 13 57.904 0.083 . 1 . . . . 172 LEU CA . 15525 2 2043 . 2 2 175 175 LEU CB C 13 41.138 0.060 . 1 . . . . 172 LEU CB . 15525 2 2044 . 2 2 175 175 LEU CD1 C 13 22.303 0.047 . 2 . . . . 172 LEU CD1 . 15525 2 2045 . 2 2 175 175 LEU CD2 C 13 28.214 0.084 . 2 . . . . 172 LEU CD2 . 15525 2 2046 . 2 2 175 175 LEU CG C 13 26.559 0.089 . 1 . . . . 172 LEU CG . 15525 2 2047 . 2 2 175 175 LEU N N 15 120.106 0.061 . 1 . . . . 172 LEU N . 15525 2 2048 . 2 2 176 176 MET H H 1 8.197 0.013 . 1 . . . . 173 MET H . 15525 2 2049 . 2 2 176 176 MET HA H 1 3.322 0.009 . 1 . . . . 173 MET HA . 15525 2 2050 . 2 2 176 176 MET HB2 H 1 1.574 0.010 . 2 . . . . 173 MET HB2 . 15525 2 2051 . 2 2 176 176 MET HB3 H 1 2.363 0.005 . 2 . . . . 173 MET HB3 . 15525 2 2052 . 2 2 176 176 MET HE1 H 1 1.540 0.007 . 1 . . . . 173 MET HE1 . 15525 2 2053 . 2 2 176 176 MET HE2 H 1 1.540 0.007 . 1 . . . . 173 MET HE2 . 15525 2 2054 . 2 2 176 176 MET HE3 H 1 1.540 0.007 . 1 . . . . 173 MET HE3 . 15525 2 2055 . 2 2 176 176 MET HG2 H 1 1.834 0.005 . 2 . . . . 173 MET HG2 . 15525 2 2056 . 2 2 176 176 MET HG3 H 1 2.790 0.008 . 2 . . . . 173 MET HG3 . 15525 2 2057 . 2 2 176 176 MET C C 13 175.513 0.000 . 1 . . . . 173 MET C . 15525 2 2058 . 2 2 176 176 MET CA C 13 61.230 0.038 . 1 . . . . 173 MET CA . 15525 2 2059 . 2 2 176 176 MET CB C 13 35.530 0.084 . 1 . . . . 173 MET CB . 15525 2 2060 . 2 2 176 176 MET CE C 13 17.656 0.033 . 1 . . . . 173 MET CE . 15525 2 2061 . 2 2 176 176 MET CG C 13 33.568 0.038 . 1 . . . . 173 MET CG . 15525 2 2062 . 2 2 176 176 MET N N 15 117.287 0.060 . 1 . . . . 173 MET N . 15525 2 2063 . 2 2 177 177 ARG H H 1 8.222 0.008 . 1 . . . . 174 ARG H . 15525 2 2064 . 2 2 177 177 ARG HA H 1 3.648 0.006 . 1 . . . . 174 ARG HA . 15525 2 2065 . 2 2 177 177 ARG HB2 H 1 1.813 0.005 . 1 . . . . 174 ARG HB2 . 15525 2 2066 . 2 2 177 177 ARG HB3 H 1 1.813 0.005 . 1 . . . . 174 ARG HB3 . 15525 2 2067 . 2 2 177 177 ARG HD2 H 1 3.149 0.005 . 2 . . . . 174 ARG HD2 . 15525 2 2068 . 2 2 177 177 ARG HD3 H 1 3.113 0.013 . 2 . . . . 174 ARG HD3 . 15525 2 2069 . 2 2 177 177 ARG HE H 1 9.083 0.009 . 1 . . . . 174 ARG HE . 15525 2 2070 . 2 2 177 177 ARG HG2 H 1 1.330 0.005 . 2 . . . . 174 ARG HG2 . 15525 2 2071 . 2 2 177 177 ARG HG3 H 1 2.091 0.004 . 2 . . . . 174 ARG HG3 . 15525 2 2072 . 2 2 177 177 ARG HH12 H 1 6.667 0.000 . 1 . . . . 174 ARG HH12 . 15525 2 2073 . 2 2 177 177 ARG HH22 H 1 7.046 0.000 . 1 . . . . 174 ARG HH22 . 15525 2 2074 . 2 2 177 177 ARG C C 13 176.738 0.000 . 1 . . . . 174 ARG C . 15525 2 2075 . 2 2 177 177 ARG CA C 13 61.180 0.000 . 1 . . . . 174 ARG CA . 15525 2 2076 . 2 2 177 177 ARG CB C 13 29.584 0.000 . 1 . . . . 174 ARG CB . 15525 2 2077 . 2 2 177 177 ARG CD C 13 43.597 0.017 . 1 . . . . 174 ARG CD . 15525 2 2078 . 2 2 177 177 ARG CG C 13 30.667 0.052 . 1 . . . . 174 ARG CG . 15525 2 2079 . 2 2 177 177 ARG N N 15 117.222 0.049 . 1 . . . . 174 ARG N . 15525 2 2080 . 2 2 177 177 ARG NE N 15 115.576 0.057 . 1 . . . . 174 ARG NE . 15525 2 2081 . 2 2 178 178 GLU H H 1 7.567 0.006 . 1 . . . . 175 GLU H . 15525 2 2082 . 2 2 178 178 GLU HA H 1 4.042 0.005 . 1 . . . . 175 GLU HA . 15525 2 2083 . 2 2 178 178 GLU HB2 H 1 2.221 0.003 . 2 . . . . 175 GLU HB2 . 15525 2 2084 . 2 2 178 178 GLU HB3 H 1 2.115 0.020 . 2 . . . . 175 GLU HB3 . 15525 2 2085 . 2 2 178 178 GLU HG2 H 1 2.249 0.006 . 2 . . . . 175 GLU HG2 . 15525 2 2086 . 2 2 178 178 GLU HG3 H 1 2.357 0.013 . 2 . . . . 175 GLU HG3 . 15525 2 2087 . 2 2 178 178 GLU C C 13 177.731 0.000 . 1 . . . . 175 GLU C . 15525 2 2088 . 2 2 178 178 GLU CA C 13 59.958 0.017 . 1 . . . . 175 GLU CA . 15525 2 2089 . 2 2 178 178 GLU CB C 13 29.878 0.091 . 1 . . . . 175 GLU CB . 15525 2 2090 . 2 2 178 178 GLU CG C 13 36.022 0.105 . 1 . . . . 175 GLU CG . 15525 2 2091 . 2 2 178 178 GLU N N 15 120.301 0.047 . 1 . . . . 175 GLU N . 15525 2 2092 . 2 2 179 179 ILE H H 1 8.271 0.009 . 1 . . . . 176 ILE H . 15525 2 2093 . 2 2 179 179 ILE HA H 1 3.397 0.008 . 1 . . . . 176 ILE HA . 15525 2 2094 . 2 2 179 179 ILE HB H 1 1.401 0.008 . 1 . . . . 176 ILE HB . 15525 2 2095 . 2 2 179 179 ILE HD11 H 1 0.525 0.008 . 1 . . . . 176 ILE HD11 . 15525 2 2096 . 2 2 179 179 ILE HD12 H 1 0.525 0.008 . 1 . . . . 176 ILE HD12 . 15525 2 2097 . 2 2 179 179 ILE HD13 H 1 0.525 0.008 . 1 . . . . 176 ILE HD13 . 15525 2 2098 . 2 2 179 179 ILE HG12 H 1 1.689 0.016 . 2 . . . . 176 ILE HG12 . 15525 2 2099 . 2 2 179 179 ILE HG13 H 1 0.705 0.013 . 2 . . . . 176 ILE HG13 . 15525 2 2100 . 2 2 179 179 ILE HG21 H 1 0.873 0.007 . 1 . . . . 176 ILE HG21 . 15525 2 2101 . 2 2 179 179 ILE HG22 H 1 0.873 0.007 . 1 . . . . 176 ILE HG22 . 15525 2 2102 . 2 2 179 179 ILE HG23 H 1 0.873 0.007 . 1 . . . . 176 ILE HG23 . 15525 2 2103 . 2 2 179 179 ILE C C 13 174.975 0.000 . 1 . . . . 176 ILE C . 15525 2 2104 . 2 2 179 179 ILE CA C 13 66.084 0.046 . 1 . . . . 176 ILE CA . 15525 2 2105 . 2 2 179 179 ILE CB C 13 38.108 0.063 . 1 . . . . 176 ILE CB . 15525 2 2106 . 2 2 179 179 ILE CD1 C 13 15.273 0.103 . 1 . . . . 176 ILE CD1 . 15525 2 2107 . 2 2 179 179 ILE CG1 C 13 27.827 0.103 . 1 . . . . 176 ILE CG1 . 15525 2 2108 . 2 2 179 179 ILE CG2 C 13 19.597 0.054 . 1 . . . . 176 ILE CG2 . 15525 2 2109 . 2 2 179 179 ILE N N 15 121.483 0.031 . 1 . . . . 176 ILE N . 15525 2 2110 . 2 2 180 180 ARG H H 1 8.605 0.004 . 1 . . . . 177 ARG H . 15525 2 2111 . 2 2 180 180 ARG HA H 1 3.655 0.003 . 1 . . . . 177 ARG HA . 15525 2 2112 . 2 2 180 180 ARG HB2 H 1 2.085 0.006 . 2 . . . . 177 ARG HB2 . 15525 2 2113 . 2 2 180 180 ARG HB3 H 1 2.087 0.009 . 2 . . . . 177 ARG HB3 . 15525 2 2114 . 2 2 180 180 ARG HD2 H 1 3.024 0.004 . 2 . . . . 177 ARG HD2 . 15525 2 2115 . 2 2 180 180 ARG HD3 H 1 3.276 0.005 . 2 . . . . 177 ARG HD3 . 15525 2 2116 . 2 2 180 180 ARG HE H 1 7.366 0.014 . 1 . . . . 177 ARG HE . 15525 2 2117 . 2 2 180 180 ARG HG2 H 1 1.435 0.005 . 2 . . . . 177 ARG HG2 . 15525 2 2118 . 2 2 180 180 ARG HG3 H 1 1.812 0.005 . 2 . . . . 177 ARG HG3 . 15525 2 2119 . 2 2 180 180 ARG C C 13 175.571 0.000 . 1 . . . . 177 ARG C . 15525 2 2120 . 2 2 180 180 ARG CA C 13 60.313 0.017 . 1 . . . . 177 ARG CA . 15525 2 2121 . 2 2 180 180 ARG CB C 13 30.362 0.088 . 1 . . . . 177 ARG CB . 15525 2 2122 . 2 2 180 180 ARG CD C 13 43.744 0.027 . 1 . . . . 177 ARG CD . 15525 2 2123 . 2 2 180 180 ARG CG C 13 26.569 0.034 . 1 . . . . 177 ARG CG . 15525 2 2124 . 2 2 180 180 ARG N N 15 120.594 0.031 . 1 . . . . 177 ARG N . 15525 2 2125 . 2 2 180 180 ARG NE N 15 113.024 0.000 . 1 . . . . 177 ARG NE . 15525 2 2126 . 2 2 181 181 THR H H 1 8.186 0.009 . 1 . . . . 178 THR H . 15525 2 2127 . 2 2 181 181 THR HA H 1 3.789 0.004 . 1 . . . . 178 THR HA . 15525 2 2128 . 2 2 181 181 THR HB H 1 4.218 0.003 . 1 . . . . 178 THR HB . 15525 2 2129 . 2 2 181 181 THR HG1 H 1 4.704 0.000 . 1 . . . . 178 THR HG1 . 15525 2 2130 . 2 2 181 181 THR HG21 H 1 1.178 0.004 . 1 . . . . 178 THR HG21 . 15525 2 2131 . 2 2 181 181 THR HG22 H 1 1.178 0.004 . 1 . . . . 178 THR HG22 . 15525 2 2132 . 2 2 181 181 THR HG23 H 1 1.178 0.004 . 1 . . . . 178 THR HG23 . 15525 2 2133 . 2 2 181 181 THR C C 13 174.230 0.000 . 1 . . . . 178 THR C . 15525 2 2134 . 2 2 181 181 THR CA C 13 66.883 0.054 . 1 . . . . 178 THR CA . 15525 2 2135 . 2 2 181 181 THR CB C 13 68.933 0.037 . 1 . . . . 178 THR CB . 15525 2 2136 . 2 2 181 181 THR CG2 C 13 21.673 0.035 . 1 . . . . 178 THR CG2 . 15525 2 2137 . 2 2 181 181 THR N N 15 115.217 0.042 . 1 . . . . 178 THR N . 15525 2 2138 . 2 2 182 182 LYS H H 1 7.673 0.004 . 1 . . . . 179 LYS H . 15525 2 2139 . 2 2 182 182 LYS HA H 1 3.996 0.006 . 1 . . . . 179 LYS HA . 15525 2 2140 . 2 2 182 182 LYS HB2 H 1 2.085 0.007 . 2 . . . . 179 LYS HB2 . 15525 2 2141 . 2 2 182 182 LYS HB3 H 1 1.870 0.009 . 2 . . . . 179 LYS HB3 . 15525 2 2142 . 2 2 182 182 LYS HD2 H 1 1.641 0.002 . 2 . . . . 179 LYS HD2 . 15525 2 2143 . 2 2 182 182 LYS HD3 H 1 1.641 0.002 . 2 . . . . 179 LYS HD3 . 15525 2 2144 . 2 2 182 182 LYS HE2 H 1 3.089 0.005 . 1 . . . . 179 LYS HE2 . 15525 2 2145 . 2 2 182 182 LYS HE3 H 1 3.089 0.005 . 1 . . . . 179 LYS HE3 . 15525 2 2146 . 2 2 182 182 LYS HG2 H 1 1.329 0.005 . 2 . . . . 179 LYS HG2 . 15525 2 2147 . 2 2 182 182 LYS HG3 H 1 1.456 0.003 . 2 . . . . 179 LYS HG3 . 15525 2 2148 . 2 2 182 182 LYS C C 13 177.027 0.000 . 1 . . . . 179 LYS C . 15525 2 2149 . 2 2 182 182 LYS CA C 13 59.453 0.114 . 1 . . . . 179 LYS CA . 15525 2 2150 . 2 2 182 182 LYS CB C 13 32.451 0.065 . 1 . . . . 179 LYS CB . 15525 2 2151 . 2 2 182 182 LYS CD C 13 30.023 0.056 . 1 . . . . 179 LYS CD . 15525 2 2152 . 2 2 182 182 LYS CE C 13 42.667 0.055 . 1 . . . . 179 LYS CE . 15525 2 2153 . 2 2 182 182 LYS CG C 13 24.885 0.020 . 1 . . . . 179 LYS CG . 15525 2 2154 . 2 2 182 182 LYS N N 15 123.532 0.044 . 1 . . . . 179 LYS N . 15525 2 2155 . 2 2 183 183 LYS H H 1 8.443 0.007 . 1 . . . . 180 LYS H . 15525 2 2156 . 2 2 183 183 LYS HA H 1 3.971 0.010 . 1 . . . . 180 LYS HA . 15525 2 2157 . 2 2 183 183 LYS HB2 H 1 1.833 0.007 . 2 . . . . 180 LYS HB2 . 15525 2 2158 . 2 2 183 183 LYS HB3 H 1 1.834 0.006 . 2 . . . . 180 LYS HB3 . 15525 2 2159 . 2 2 183 183 LYS HD2 H 1 1.642 0.001 . 2 . . . . 180 LYS HD2 . 15525 2 2160 . 2 2 183 183 LYS HD3 H 1 1.644 0.002 . 2 . . . . 180 LYS HD3 . 15525 2 2161 . 2 2 183 183 LYS HE2 H 1 2.940 0.003 . 1 . . . . 180 LYS HE2 . 15525 2 2162 . 2 2 183 183 LYS HE3 H 1 2.940 0.003 . 1 . . . . 180 LYS HE3 . 15525 2 2163 . 2 2 183 183 LYS HG2 H 1 1.462 0.004 . 2 . . . . 180 LYS HG2 . 15525 2 2164 . 2 2 183 183 LYS HG3 H 1 1.333 0.006 . 2 . . . . 180 LYS HG3 . 15525 2 2165 . 2 2 183 183 LYS C C 13 177.139 0.000 . 1 . . . . 180 LYS C . 15525 2 2166 . 2 2 183 183 LYS CA C 13 59.609 0.133 . 1 . . . . 180 LYS CA . 15525 2 2167 . 2 2 183 183 LYS CB C 13 33.491 0.056 . 1 . . . . 180 LYS CB . 15525 2 2168 . 2 2 183 183 LYS CD C 13 30.135 0.003 . 1 . . . . 180 LYS CD . 15525 2 2169 . 2 2 183 183 LYS CE C 13 41.952 0.000 . 1 . . . . 180 LYS CE . 15525 2 2170 . 2 2 183 183 LYS CG C 13 24.883 0.014 . 1 . . . . 180 LYS CG . 15525 2 2171 . 2 2 183 183 LYS N N 15 119.398 0.060 . 1 . . . . 180 LYS N . 15525 2 2172 . 2 2 184 184 MET H H 1 8.261 0.009 . 1 . . . . 181 MET H . 15525 2 2173 . 2 2 184 184 MET HA H 1 4.257 0.005 . 1 . . . . 181 MET HA . 15525 2 2174 . 2 2 184 184 MET HB2 H 1 2.182 0.011 . 2 . . . . 181 MET HB2 . 15525 2 2175 . 2 2 184 184 MET HB3 H 1 2.102 0.012 . 2 . . . . 181 MET HB3 . 15525 2 2176 . 2 2 184 184 MET HE1 H 1 2.057 0.011 . 1 . . . . 181 MET HE1 . 15525 2 2177 . 2 2 184 184 MET HE2 H 1 2.057 0.011 . 1 . . . . 181 MET HE2 . 15525 2 2178 . 2 2 184 184 MET HE3 H 1 2.057 0.011 . 1 . . . . 181 MET HE3 . 15525 2 2179 . 2 2 184 184 MET HG2 H 1 2.575 0.003 . 2 . . . . 181 MET HG2 . 15525 2 2180 . 2 2 184 184 MET HG3 H 1 2.766 0.004 . 2 . . . . 181 MET HG3 . 15525 2 2181 . 2 2 184 184 MET C C 13 175.512 0.000 . 1 . . . . 181 MET C . 15525 2 2182 . 2 2 184 184 MET CA C 13 57.606 0.032 . 1 . . . . 181 MET CA . 15525 2 2183 . 2 2 184 184 MET CB C 13 32.557 0.023 . 1 . . . . 181 MET CB . 15525 2 2184 . 2 2 184 184 MET CE C 13 16.679 0.034 . 1 . . . . 181 MET CE . 15525 2 2185 . 2 2 184 184 MET CG C 13 32.536 0.022 . 1 . . . . 181 MET CG . 15525 2 2186 . 2 2 184 184 MET N N 15 116.740 0.028 . 1 . . . . 181 MET N . 15525 2 2187 . 2 2 185 185 SER H H 1 7.728 0.003 . 1 . . . . 182 SER H . 15525 2 2188 . 2 2 185 185 SER HA H 1 4.368 0.002 . 1 . . . . 182 SER HA . 15525 2 2189 . 2 2 185 185 SER HB2 H 1 3.981 0.005 . 2 . . . . 182 SER HB2 . 15525 2 2190 . 2 2 185 185 SER HB3 H 1 3.981 0.005 . 2 . . . . 182 SER HB3 . 15525 2 2191 . 2 2 185 185 SER C C 13 172.557 0.000 . 1 . . . . 182 SER C . 15525 2 2192 . 2 2 185 185 SER CA C 13 59.845 0.011 . 1 . . . . 182 SER CA . 15525 2 2193 . 2 2 185 185 SER CB C 13 63.734 0.041 . 1 . . . . 182 SER CB . 15525 2 2194 . 2 2 185 185 SER N N 15 114.106 0.042 . 1 . . . . 182 SER N . 15525 2 2195 . 2 2 186 186 GLU H H 1 7.691 0.004 . 1 . . . . 183 GLU H . 15525 2 2196 . 2 2 186 186 GLU HA H 1 4.253 0.006 . 1 . . . . 183 GLU HA . 15525 2 2197 . 2 2 186 186 GLU HB2 H 1 1.964 0.008 . 2 . . . . 183 GLU HB2 . 15525 2 2198 . 2 2 186 186 GLU HB3 H 1 2.044 0.011 . 2 . . . . 183 GLU HB3 . 15525 2 2199 . 2 2 186 186 GLU HG2 H 1 2.236 0.008 . 2 . . . . 183 GLU HG2 . 15525 2 2200 . 2 2 186 186 GLU HG3 H 1 2.371 0.015 . 2 . . . . 183 GLU HG3 . 15525 2 2201 . 2 2 186 186 GLU C C 13 173.947 0.000 . 1 . . . . 183 GLU C . 15525 2 2202 . 2 2 186 186 GLU CA C 13 56.833 0.066 . 1 . . . . 183 GLU CA . 15525 2 2203 . 2 2 186 186 GLU CB C 13 30.341 0.060 . 1 . . . . 183 GLU CB . 15525 2 2204 . 2 2 186 186 GLU CG C 13 36.303 0.121 . 1 . . . . 183 GLU CG . 15525 2 2205 . 2 2 186 186 GLU N N 15 120.518 0.019 . 1 . . . . 183 GLU N . 15525 2 2206 . 2 2 187 187 ASN H H 1 8.078 0.006 . 1 . . . . 184 ASN H . 15525 2 2207 . 2 2 187 187 ASN HA H 1 4.693 0.003 . 1 . . . . 184 ASN HA . 15525 2 2208 . 2 2 187 187 ASN HB2 H 1 2.705 0.004 . 2 . . . . 184 ASN HB2 . 15525 2 2209 . 2 2 187 187 ASN HB3 H 1 2.840 0.004 . 2 . . . . 184 ASN HB3 . 15525 2 2210 . 2 2 187 187 ASN HD21 H 1 6.862 0.010 . 1 . . . . 184 ASN HD21 . 15525 2 2211 . 2 2 187 187 ASN HD22 H 1 7.539 0.002 . 1 . . . . 184 ASN HD22 . 15525 2 2212 . 2 2 187 187 ASN C C 13 171.738 0.000 . 1 . . . . 184 ASN C . 15525 2 2213 . 2 2 187 187 ASN CA C 13 53.448 0.003 . 1 . . . . 184 ASN CA . 15525 2 2214 . 2 2 187 187 ASN CB C 13 38.874 0.049 . 1 . . . . 184 ASN CB . 15525 2 2215 . 2 2 187 187 ASN N N 15 119.052 0.042 . 1 . . . . 184 ASN N . 15525 2 2216 . 2 2 187 187 ASN ND2 N 15 112.457 0.047 . 1 . . . . 184 ASN ND2 . 15525 2 2217 . 2 2 188 188 LYS H H 1 7.760 0.006 . 1 . . . . 185 LYS H . 15525 2 2218 . 2 2 188 188 LYS HA H 1 4.110 0.006 . 1 . . . . 185 LYS HA . 15525 2 2219 . 2 2 188 188 LYS HB2 H 1 1.665 0.004 . 2 . . . . 185 LYS HB2 . 15525 2 2220 . 2 2 188 188 LYS HB3 H 1 1.789 0.004 . 2 . . . . 185 LYS HB3 . 15525 2 2221 . 2 2 188 188 LYS HD2 H 1 1.621 0.006 . 2 . . . . 185 LYS HD2 . 15525 2 2222 . 2 2 188 188 LYS HD3 H 1 1.621 0.006 . 2 . . . . 185 LYS HD3 . 15525 2 2223 . 2 2 188 188 LYS HE2 H 1 2.934 0.005 . 2 . . . . 185 LYS HE2 . 15525 2 2224 . 2 2 188 188 LYS HE3 H 1 2.934 0.005 . 2 . . . . 185 LYS HE3 . 15525 2 2225 . 2 2 188 188 LYS HG2 H 1 1.340 0.011 . 1 . . . . 185 LYS HG2 . 15525 2 2226 . 2 2 188 188 LYS HG3 H 1 1.340 0.011 . 1 . . . . 185 LYS HG3 . 15525 2 2227 . 2 2 188 188 LYS CA C 13 57.736 0.018 . 1 . . . . 185 LYS CA . 15525 2 2228 . 2 2 188 188 LYS CB C 13 33.699 0.037 . 1 . . . . 185 LYS CB . 15525 2 2229 . 2 2 188 188 LYS CD C 13 29.154 0.049 . 1 . . . . 185 LYS CD . 15525 2 2230 . 2 2 188 188 LYS CE C 13 42.082 0.045 . 1 . . . . 185 LYS CE . 15525 2 2231 . 2 2 188 188 LYS CG C 13 24.845 0.022 . 1 . . . . 185 LYS CG . 15525 2 2232 . 2 2 188 188 LYS N N 15 126.123 0.037 . 1 . . . . 185 LYS N . 15525 2 2233 . 3 3 1 1 GNP H21 H 1 6.283 0.008 . 1 . . . . . GNP H21 . 15525 2 2234 . 3 3 1 1 GNP H22 H 1 6.283 0.008 . 1 . . . . . GNP H22 . 15525 2 2235 . 3 3 1 1 GNP H1 H 1 13.068 0.028 . 1 . . . . . GNP H1 . 15525 2 stop_ save_