data_15803 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15803 _Entry.Title ; RalB in complex with its effector RLIP76 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-13 _Entry.Accession_date 2008-06-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Helen Mott . R. . 15803 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15803 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 759 15803 '15N chemical shifts' 193 15803 '1H chemical shifts' 1283 15803 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 . . 2009-08-18 2008-06-13 update BMRB 'added PubMed ID' 15803 2 . . 2008-12-03 2008-06-13 update BMRB 'complete entry citation' 15803 1 . . 2008-11-05 2008-06-13 original author 'original release' 15803 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15525 RalB-GMPPNP 15803 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15803 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636899 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments for the active conformation of the small G proteins RalB in complex with its effector RLIP76' _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 179 _Citation.Page_last 182 _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 . . . 15803 1 2 Sunil Prasannan . . . 15803 1 3 Louise Campbell . J. . 15803 1 4 Katrina Evetts . A. . 15803 1 5 Daniel Nietlispach . . . 15803 1 6 Darerca Owen . . . 15803 1 7 Helen Mott . R. . 15803 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Endocytosis 15803 1 GTPase 15803 1 Ral 15803 1 RalBP1 15803 1 RLIP76 15803 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15803 _Assembly.ID 1 _Assembly.Name 'RalB-RLIP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RalB 1 $RalB A . yes native no no . . . 15803 1 2 RLIP76 2 $RLIP76 B . no native no no . . . 15803 1 3 GNP 3 $GNP C . yes native no no . . . 15803 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RalB _Entity.Sf_category entity _Entity.Sf_framecode RalB _Entity.Entry_ID 15803 _Entity.ID 1 _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 . _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 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 15230 . RalB . . . . . 98.94 186 100.00 100.00 1.95e-131 . . . . 15803 1 2 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 1.35e-121 . . . . 15803 1 3 no PDB 2KWI . "Ralb-Rlip76 (Ralbp1) Complex" . . . . . 94.68 178 100.00 100.00 1.14e-124 . . . . 15803 1 4 no DBJ BAE02438 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.40 206 99.46 99.46 3.86e-129 . . . . 15803 1 5 no DBJ BAG35360 . "unnamed protein product [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 6 no DBJ BAG64302 . "unnamed protein product [Homo sapiens]" . . . . . 99.47 228 98.93 98.93 4.81e-130 . . . . 15803 1 7 no DBJ BAJ20798 . "v-ral simian leukemia viral oncogene homolog B [synthetic construct]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 8 no EMBL CAA33119 . "unnamed protein product [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 9 no EMBL CAH93398 . "hypothetical protein [Pongo abelii]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 10 no GB AAA60250 . "GTP-binding protein (RALB) [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 11 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 2.75e-129 . . . . 15803 1 12 no GB AAI46174 . "RALB protein [Bos taurus]" . . . . . 98.40 206 97.84 98.38 2.07e-126 . . . . 15803 1 13 no GB AAM12625 . "Ras family small GTP binding protein RALB [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 14 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 2.75e-129 . . . . 15803 1 15 no REF NP_001091454 . "ras-related protein Ral-B [Bos taurus]" . . . . . 98.40 206 97.84 98.38 2.07e-126 . . . . 15803 1 16 no REF NP_001126995 . "ras-related protein Ral-B precursor [Pongo abelii]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 17 no REF NP_001244728 . "ras-related protein Ral-B [Macaca mulatta]" . . . . . 98.40 206 99.46 99.46 3.86e-129 . . . . 15803 1 18 no REF NP_002872 . "ras-related protein Ral-B [Homo sapiens]" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 19 no REF XP_001492315 . "PREDICTED: ras-related protein Ral-B [Equus caballus]" . . . . . 98.40 206 97.30 97.84 6.50e-127 . . . . 15803 1 20 no SP P11234 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 21 no SP Q4R379 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" . . . . . 98.40 206 99.46 99.46 3.86e-129 . . . . 15803 1 22 no SP Q5R4B8 . "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" . . . . . 98.40 206 99.46 99.46 2.75e-129 . . . . 15803 1 23 no TPG DAA32595 . "TPA: v-ral simian leukemia viral oncogene homolog B [Bos taurus]" . . . . . 98.40 206 97.84 98.38 2.07e-126 . . . . 15803 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 . GLY . 15803 1 2 . SER . 15803 1 3 . HIS . 15803 1 4 . MET . 15803 1 5 . ALA . 15803 1 6 . ALA . 15803 1 7 . ASN . 15803 1 8 . LYS . 15803 1 9 . SER . 15803 1 10 . LYS . 15803 1 11 . GLY . 15803 1 12 . GLN . 15803 1 13 . SER . 15803 1 14 . SER . 15803 1 15 . LEU . 15803 1 16 . ALA . 15803 1 17 . LEU . 15803 1 18 . HIS . 15803 1 19 . LYS . 15803 1 20 . VAL . 15803 1 21 . ILE . 15803 1 22 . MET . 15803 1 23 . VAL . 15803 1 24 . GLY . 15803 1 25 . SER . 15803 1 26 . GLY . 15803 1 27 . GLY . 15803 1 28 . VAL . 15803 1 29 . GLY . 15803 1 30 . LYS . 15803 1 31 . SER . 15803 1 32 . ALA . 15803 1 33 . LEU . 15803 1 34 . THR . 15803 1 35 . LEU . 15803 1 36 . GLN . 15803 1 37 . PHE . 15803 1 38 . MET . 15803 1 39 . TYR . 15803 1 40 . ASP . 15803 1 41 . GLU . 15803 1 42 . PHE . 15803 1 43 . VAL . 15803 1 44 . GLU . 15803 1 45 . ASP . 15803 1 46 . TYR . 15803 1 47 . GLU . 15803 1 48 . PRO . 15803 1 49 . THR . 15803 1 50 . LYS . 15803 1 51 . ALA . 15803 1 52 . ASP . 15803 1 53 . SER . 15803 1 54 . TYR . 15803 1 55 . ARG . 15803 1 56 . LYS . 15803 1 57 . LYS . 15803 1 58 . VAL . 15803 1 59 . VAL . 15803 1 60 . LEU . 15803 1 61 . ASP . 15803 1 62 . GLY . 15803 1 63 . GLU . 15803 1 64 . GLU . 15803 1 65 . VAL . 15803 1 66 . GLN . 15803 1 67 . ILE . 15803 1 68 . ASP . 15803 1 69 . ILE . 15803 1 70 . LEU . 15803 1 71 . ASP . 15803 1 72 . THR . 15803 1 73 . ALA . 15803 1 74 . GLY . 15803 1 75 . LEU . 15803 1 76 . GLU . 15803 1 77 . ASP . 15803 1 78 . TYR . 15803 1 79 . ALA . 15803 1 80 . ALA . 15803 1 81 . ILE . 15803 1 82 . ARG . 15803 1 83 . ASP . 15803 1 84 . ASN . 15803 1 85 . TYR . 15803 1 86 . PHE . 15803 1 87 . ARG . 15803 1 88 . SER . 15803 1 89 . GLY . 15803 1 90 . GLU . 15803 1 91 . GLY . 15803 1 92 . PHE . 15803 1 93 . LEU . 15803 1 94 . LEU . 15803 1 95 . VAL . 15803 1 96 . PHE . 15803 1 97 . SER . 15803 1 98 . ILE . 15803 1 99 . THR . 15803 1 100 . GLU . 15803 1 101 . HIS . 15803 1 102 . GLU . 15803 1 103 . SER . 15803 1 104 . PHE . 15803 1 105 . THR . 15803 1 106 . ALA . 15803 1 107 . THR . 15803 1 108 . ALA . 15803 1 109 . GLU . 15803 1 110 . PHE . 15803 1 111 . ARG . 15803 1 112 . GLU . 15803 1 113 . GLN . 15803 1 114 . ILE . 15803 1 115 . LEU . 15803 1 116 . ARG . 15803 1 117 . VAL . 15803 1 118 . LYS . 15803 1 119 . ALA . 15803 1 120 . GLU . 15803 1 121 . GLU . 15803 1 122 . ASP . 15803 1 123 . LYS . 15803 1 124 . ILE . 15803 1 125 . PRO . 15803 1 126 . LEU . 15803 1 127 . LEU . 15803 1 128 . VAL . 15803 1 129 . VAL . 15803 1 130 . GLY . 15803 1 131 . ASN . 15803 1 132 . LYS . 15803 1 133 . SER . 15803 1 134 . ASP . 15803 1 135 . LEU . 15803 1 136 . GLU . 15803 1 137 . GLU . 15803 1 138 . ARG . 15803 1 139 . ARG . 15803 1 140 . GLN . 15803 1 141 . VAL . 15803 1 142 . PRO . 15803 1 143 . VAL . 15803 1 144 . GLU . 15803 1 145 . GLU . 15803 1 146 . ALA . 15803 1 147 . ARG . 15803 1 148 . SER . 15803 1 149 . LYS . 15803 1 150 . ALA . 15803 1 151 . GLU . 15803 1 152 . GLU . 15803 1 153 . TRP . 15803 1 154 . GLY . 15803 1 155 . VAL . 15803 1 156 . GLN . 15803 1 157 . TYR . 15803 1 158 . VAL . 15803 1 159 . GLU . 15803 1 160 . THR . 15803 1 161 . SER . 15803 1 162 . ALA . 15803 1 163 . LYS . 15803 1 164 . THR . 15803 1 165 . ARG . 15803 1 166 . ALA . 15803 1 167 . ASN . 15803 1 168 . VAL . 15803 1 169 . ASP . 15803 1 170 . LYS . 15803 1 171 . VAL . 15803 1 172 . PHE . 15803 1 173 . PHE . 15803 1 174 . ASP . 15803 1 175 . LEU . 15803 1 176 . MET . 15803 1 177 . ARG . 15803 1 178 . GLU . 15803 1 179 . ILE . 15803 1 180 . ARG . 15803 1 181 . THR . 15803 1 182 . LYS . 15803 1 183 . LYS . 15803 1 184 . MET . 15803 1 185 . SER . 15803 1 186 . GLU . 15803 1 187 . ASN . 15803 1 188 . LYS . 15803 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 15803 1 . SER 2 2 15803 1 . HIS 3 3 15803 1 . MET 4 4 15803 1 . ALA 5 5 15803 1 . ALA 6 6 15803 1 . ASN 7 7 15803 1 . LYS 8 8 15803 1 . SER 9 9 15803 1 . LYS 10 10 15803 1 . GLY 11 11 15803 1 . GLN 12 12 15803 1 . SER 13 13 15803 1 . SER 14 14 15803 1 . LEU 15 15 15803 1 . ALA 16 16 15803 1 . LEU 17 17 15803 1 . HIS 18 18 15803 1 . LYS 19 19 15803 1 . VAL 20 20 15803 1 . ILE 21 21 15803 1 . MET 22 22 15803 1 . VAL 23 23 15803 1 . GLY 24 24 15803 1 . SER 25 25 15803 1 . GLY 26 26 15803 1 . GLY 27 27 15803 1 . VAL 28 28 15803 1 . GLY 29 29 15803 1 . LYS 30 30 15803 1 . SER 31 31 15803 1 . ALA 32 32 15803 1 . LEU 33 33 15803 1 . THR 34 34 15803 1 . LEU 35 35 15803 1 . GLN 36 36 15803 1 . PHE 37 37 15803 1 . MET 38 38 15803 1 . TYR 39 39 15803 1 . ASP 40 40 15803 1 . GLU 41 41 15803 1 . PHE 42 42 15803 1 . VAL 43 43 15803 1 . GLU 44 44 15803 1 . ASP 45 45 15803 1 . TYR 46 46 15803 1 . GLU 47 47 15803 1 . PRO 48 48 15803 1 . THR 49 49 15803 1 . LYS 50 50 15803 1 . ALA 51 51 15803 1 . ASP 52 52 15803 1 . SER 53 53 15803 1 . TYR 54 54 15803 1 . ARG 55 55 15803 1 . LYS 56 56 15803 1 . LYS 57 57 15803 1 . VAL 58 58 15803 1 . VAL 59 59 15803 1 . LEU 60 60 15803 1 . ASP 61 61 15803 1 . GLY 62 62 15803 1 . GLU 63 63 15803 1 . GLU 64 64 15803 1 . VAL 65 65 15803 1 . GLN 66 66 15803 1 . ILE 67 67 15803 1 . ASP 68 68 15803 1 . ILE 69 69 15803 1 . LEU 70 70 15803 1 . ASP 71 71 15803 1 . THR 72 72 15803 1 . ALA 73 73 15803 1 . GLY 74 74 15803 1 . LEU 75 75 15803 1 . GLU 76 76 15803 1 . ASP 77 77 15803 1 . TYR 78 78 15803 1 . ALA 79 79 15803 1 . ALA 80 80 15803 1 . ILE 81 81 15803 1 . ARG 82 82 15803 1 . ASP 83 83 15803 1 . ASN 84 84 15803 1 . TYR 85 85 15803 1 . PHE 86 86 15803 1 . ARG 87 87 15803 1 . SER 88 88 15803 1 . GLY 89 89 15803 1 . GLU 90 90 15803 1 . GLY 91 91 15803 1 . PHE 92 92 15803 1 . LEU 93 93 15803 1 . LEU 94 94 15803 1 . VAL 95 95 15803 1 . PHE 96 96 15803 1 . SER 97 97 15803 1 . ILE 98 98 15803 1 . THR 99 99 15803 1 . GLU 100 100 15803 1 . HIS 101 101 15803 1 . GLU 102 102 15803 1 . SER 103 103 15803 1 . PHE 104 104 15803 1 . THR 105 105 15803 1 . ALA 106 106 15803 1 . THR 107 107 15803 1 . ALA 108 108 15803 1 . GLU 109 109 15803 1 . PHE 110 110 15803 1 . ARG 111 111 15803 1 . GLU 112 112 15803 1 . GLN 113 113 15803 1 . ILE 114 114 15803 1 . LEU 115 115 15803 1 . ARG 116 116 15803 1 . VAL 117 117 15803 1 . LYS 118 118 15803 1 . ALA 119 119 15803 1 . GLU 120 120 15803 1 . GLU 121 121 15803 1 . ASP 122 122 15803 1 . LYS 123 123 15803 1 . ILE 124 124 15803 1 . PRO 125 125 15803 1 . LEU 126 126 15803 1 . LEU 127 127 15803 1 . VAL 128 128 15803 1 . VAL 129 129 15803 1 . GLY 130 130 15803 1 . ASN 131 131 15803 1 . LYS 132 132 15803 1 . SER 133 133 15803 1 . ASP 134 134 15803 1 . LEU 135 135 15803 1 . GLU 136 136 15803 1 . GLU 137 137 15803 1 . ARG 138 138 15803 1 . ARG 139 139 15803 1 . GLN 140 140 15803 1 . VAL 141 141 15803 1 . PRO 142 142 15803 1 . VAL 143 143 15803 1 . GLU 144 144 15803 1 . GLU 145 145 15803 1 . ALA 146 146 15803 1 . ARG 147 147 15803 1 . SER 148 148 15803 1 . LYS 149 149 15803 1 . ALA 150 150 15803 1 . GLU 151 151 15803 1 . GLU 152 152 15803 1 . TRP 153 153 15803 1 . GLY 154 154 15803 1 . VAL 155 155 15803 1 . GLN 156 156 15803 1 . TYR 157 157 15803 1 . VAL 158 158 15803 1 . GLU 159 159 15803 1 . THR 160 160 15803 1 . SER 161 161 15803 1 . ALA 162 162 15803 1 . LYS 163 163 15803 1 . THR 164 164 15803 1 . ARG 165 165 15803 1 . ALA 166 166 15803 1 . ASN 167 167 15803 1 . VAL 168 168 15803 1 . ASP 169 169 15803 1 . LYS 170 170 15803 1 . VAL 171 171 15803 1 . PHE 172 172 15803 1 . PHE 173 173 15803 1 . ASP 174 174 15803 1 . LEU 175 175 15803 1 . MET 176 176 15803 1 . ARG 177 177 15803 1 . GLU 178 178 15803 1 . ILE 179 179 15803 1 . ARG 180 180 15803 1 . THR 181 181 15803 1 . LYS 182 182 15803 1 . LYS 183 183 15803 1 . MET 184 184 15803 1 . SER 185 185 15803 1 . GLU 186 186 15803 1 . ASN 187 187 15803 1 . LYS 188 188 15803 1 stop_ save_ save_RLIP76 _Entity.Sf_category entity _Entity.Sf_framecode RLIP76 _Entity.Entry_ID 15803 _Entity.ID 2 _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 2 _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 2015-01-31 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 15524 . RLIP76 . . . . . 100.00 56 100.00 100.00 3.86e-29 . . . . 15803 2 2 no BMRB 15525 . RLIP76 . . . . . 100.00 56 100.00 100.00 3.86e-29 . . . . 15803 2 3 no PDB 2KWH . "Ral Binding Domain Of Rlip76 (Ralbp1)" . . . . . 100.00 56 100.00 100.00 3.86e-29 . . . . 15803 2 4 no PDB 2KWI . "Ralb-Rlip76 (Ralbp1) Complex" . . . . . 100.00 56 100.00 100.00 3.86e-29 . . . . 15803 2 5 no GB AAI45321 . "Ralbp1 protein [Mus musculus]" . . . . . 75.00 594 97.62 97.62 2.09e-17 . . . . 15803 2 6 no REF XP_004656898 . "PREDICTED: ralA-binding protein 1 isoform X2 [Jaculus jaculus]" . . . . . 75.00 601 97.62 97.62 2.19e-17 . . . . 15803 2 7 no REF XP_005077223 . "PREDICTED: ralA-binding protein 1 isoform X2 [Mesocricetus auratus]" . . . . . 75.00 589 97.62 97.62 2.04e-17 . . . . 15803 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 1 391 GLY . 15803 2 2 392 SER . 15803 2 3 393 GLU . 15803 2 4 394 THR . 15803 2 5 395 GLN . 15803 2 6 396 ALA . 15803 2 7 397 GLY . 15803 2 8 398 ILE . 15803 2 9 399 LYS . 15803 2 10 400 GLU . 15803 2 11 401 GLU . 15803 2 12 402 ILE . 15803 2 13 403 ARG . 15803 2 14 404 ARG . 15803 2 15 405 GLN . 15803 2 16 406 GLU . 15803 2 17 407 PHE . 15803 2 18 408 LEU . 15803 2 19 409 LEU . 15803 2 20 410 ASN . 15803 2 21 411 SER . 15803 2 22 412 LEU . 15803 2 23 413 HIS . 15803 2 24 414 ARG . 15803 2 25 415 ASP . 15803 2 26 416 LEU . 15803 2 27 417 GLN . 15803 2 28 418 GLY . 15803 2 29 419 GLY . 15803 2 30 420 ILE . 15803 2 31 421 LYS . 15803 2 32 422 ASP . 15803 2 33 423 LEU . 15803 2 34 424 SER . 15803 2 35 425 LYS . 15803 2 36 426 GLU . 15803 2 37 427 GLU . 15803 2 38 428 ARG . 15803 2 39 429 LEU . 15803 2 40 430 TRP . 15803 2 41 431 GLU . 15803 2 42 432 VAL . 15803 2 43 433 GLN . 15803 2 44 434 ARG . 15803 2 45 435 ILE . 15803 2 46 436 LEU . 15803 2 47 437 THR . 15803 2 48 438 ALA . 15803 2 49 439 LEU . 15803 2 50 440 LYS . 15803 2 51 441 ARG . 15803 2 52 442 LYS . 15803 2 53 443 LEU . 15803 2 54 444 ARG . 15803 2 55 445 GLU . 15803 2 56 446 ALA . 15803 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 15803 2 . SER 2 2 15803 2 . GLU 3 3 15803 2 . THR 4 4 15803 2 . GLN 5 5 15803 2 . ALA 6 6 15803 2 . GLY 7 7 15803 2 . ILE 8 8 15803 2 . LYS 9 9 15803 2 . GLU 10 10 15803 2 . GLU 11 11 15803 2 . ILE 12 12 15803 2 . ARG 13 13 15803 2 . ARG 14 14 15803 2 . GLN 15 15 15803 2 . GLU 16 16 15803 2 . PHE 17 17 15803 2 . LEU 18 18 15803 2 . LEU 19 19 15803 2 . ASN 20 20 15803 2 . SER 21 21 15803 2 . LEU 22 22 15803 2 . HIS 23 23 15803 2 . ARG 24 24 15803 2 . ASP 25 25 15803 2 . LEU 26 26 15803 2 . GLN 27 27 15803 2 . GLY 28 28 15803 2 . GLY 29 29 15803 2 . ILE 30 30 15803 2 . LYS 31 31 15803 2 . ASP 32 32 15803 2 . LEU 33 33 15803 2 . SER 34 34 15803 2 . LYS 35 35 15803 2 . GLU 36 36 15803 2 . GLU 37 37 15803 2 . ARG 38 38 15803 2 . LEU 39 39 15803 2 . TRP 40 40 15803 2 . GLU 41 41 15803 2 . VAL 42 42 15803 2 . GLN 43 43 15803 2 . ARG 44 44 15803 2 . ILE 45 45 15803 2 . LEU 46 46 15803 2 . THR 47 47 15803 2 . ALA 48 48 15803 2 . LEU 49 49 15803 2 . LYS 50 50 15803 2 . ARG 51 51 15803 2 . LYS 52 52 15803 2 . LEU 53 53 15803 2 . ARG 54 54 15803 2 . GLU 55 55 15803 2 . ALA 56 56 15803 2 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 15803 _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 . 15803 3 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 15803 _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 $RalB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15803 1 2 2 $RLIP76 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15803 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 15803 _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 $RalB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet16b . . . . . . 15803 1 2 2 $RLIP76 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGex2T . . . . . . 15803 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 15803 _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 21 12:48:02 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 15803 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 15803 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 15803 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 15803 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 15803 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 15803 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 15803 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 15803 GNP 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 15803 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 . 15803 GNP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 15803 GNP O2G . O2G . . O . . N 0 . . . . no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 15803 GNP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 15803 GNP N3B . N3B . . N . . N 0 . . . . no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 15803 GNP PB . PB . . P . . R 0 . . . . no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 15803 GNP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 15803 GNP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 15803 GNP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 15803 GNP PA . PA . . P . . S 0 . . . . no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 15803 GNP O1A . O1A . . O . . N 0 . . . . no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 15803 GNP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 15803 GNP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 15803 GNP C5' . C5' . . C . . N 0 . . . . no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 15803 GNP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 15803 GNP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 15803 GNP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 15803 GNP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 15803 GNP C2' . C2' . . C . . R 0 . . . . no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 15803 GNP O2' . O2' . . O . . N 0 . . . . no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 15803 GNP C1' . C1' . . C . . R 0 . . . . no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 15803 GNP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 15803 GNP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 15803 GNP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 15803 GNP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 15803 GNP C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 15803 GNP O6 . O6 . . O . . N 0 . . . . no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 15803 GNP N1 . N1 . . N . . N 0 . . . . yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 15803 GNP C2 . C2 . . C . . N 0 . . . . yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 15803 GNP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 15803 GNP N3 . N3 . . N . . N 0 . . . . yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 15803 GNP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 15803 GNP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 15803 GNP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 15803 GNP HNB3 . HNB3 . . H . . N 0 . . . . no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 15803 GNP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 15803 GNP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 15803 GNP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 15803 GNP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 15803 GNP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 15803 GNP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 15803 GNP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 15803 GNP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 15803 GNP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 15803 GNP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 15803 GNP H8 . H8 . . H . . N 0 . . . . no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 15803 GNP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 15803 GNP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 15803 GNP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 15803 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 . 15803 GNP 2 . SING PG O2G no N 2 . 15803 GNP 3 . SING PG O3G no N 3 . 15803 GNP 4 . SING PG N3B no N 4 . 15803 GNP 5 . SING O2G HOG2 no N 5 . 15803 GNP 6 . SING O3G HOG3 no N 6 . 15803 GNP 7 . SING N3B PB no N 7 . 15803 GNP 8 . SING N3B HNB3 no N 8 . 15803 GNP 9 . DOUB PB O1B no N 9 . 15803 GNP 10 . SING PB O2B no N 10 . 15803 GNP 11 . SING PB O3A no N 11 . 15803 GNP 12 . SING O2B HOB2 no N 12 . 15803 GNP 13 . SING O3A PA no N 13 . 15803 GNP 14 . DOUB PA O1A no N 14 . 15803 GNP 15 . SING PA O2A no N 15 . 15803 GNP 16 . SING PA O5' no N 16 . 15803 GNP 17 . SING O2A HOA2 no N 17 . 15803 GNP 18 . SING O5' C5' no N 18 . 15803 GNP 19 . SING C5' C4' no N 19 . 15803 GNP 20 . SING C5' H5'2 no N 20 . 15803 GNP 21 . SING C5' H5'1 no N 21 . 15803 GNP 22 . SING C4' O4' no N 22 . 15803 GNP 23 . SING C4' C3' no N 23 . 15803 GNP 24 . SING C4' H4' no N 24 . 15803 GNP 25 . SING O4' C1' no N 25 . 15803 GNP 26 . SING C3' O3' no N 26 . 15803 GNP 27 . SING C3' C2' no N 27 . 15803 GNP 28 . SING C3' H3' no N 28 . 15803 GNP 29 . SING O3' HO3' no N 29 . 15803 GNP 30 . SING C2' O2' no N 30 . 15803 GNP 31 . SING C2' C1' no N 31 . 15803 GNP 32 . SING C2' H2' no N 32 . 15803 GNP 33 . SING O2' HO2' no N 33 . 15803 GNP 34 . SING C1' N9 no N 34 . 15803 GNP 35 . SING C1' H1' no N 35 . 15803 GNP 36 . SING N9 C8 yes N 36 . 15803 GNP 37 . SING N9 C4 yes N 37 . 15803 GNP 38 . DOUB C8 N7 yes N 38 . 15803 GNP 39 . SING C8 H8 no N 39 . 15803 GNP 40 . SING N7 C5 yes N 40 . 15803 GNP 41 . SING C5 C6 yes N 41 . 15803 GNP 42 . DOUB C5 C4 yes N 42 . 15803 GNP 43 . DOUB C6 O6 no N 43 . 15803 GNP 44 . SING C6 N1 yes N 44 . 15803 GNP 45 . SING N1 C2 yes N 45 . 15803 GNP 46 . SING N1 HN1 no N 46 . 15803 GNP 47 . SING C2 N2 no N 47 . 15803 GNP 48 . DOUB C2 N3 yes N 48 . 15803 GNP 49 . SING N2 HN21 no N 49 . 15803 GNP 50 . SING N2 HN22 no N 50 . 15803 GNP 51 . SING N3 C4 yes N 51 . 15803 GNP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15803 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalB '[U-99% 15N]' . . 1 $RalB . . 0.8 . . mM . . . . 15803 1 2 RLIP76 'natural abundance' . . 2 $RLIP76 . . 0.8 . . mM . . . . 15803 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15803 1 4 D2O . . . . . . . 10 . . % . . . . 15803 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15803 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalB '[U-99% 13C; U-99% 15N]' . . 1 $RalB . . 0.8 . . mM . . . . 15803 2 2 RLIP76 'natural abundance' . . 2 $RLIP76 . . 0.8 . . mM . . . . 15803 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15803 2 4 D2O . . . . . . . 10 . . % . . . . 15803 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15803 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.16 . M 15803 1 pH 7.6 . pH 15803 1 pressure 1 . atm 15803 1 temperature 298 . K 15803 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15803 _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 . . 15803 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15803 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 15803 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wranken etal' . . 15803 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15803 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15803 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15803 _NMR_spectrometer.ID 2 _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 15803 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15803 1 2 spectrometer_2 Bruker DRX . 800 . . . 15803 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 15803 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15803 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 15803 _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 15803 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15803 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15803 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 15803 _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' . . . 15803 1 2 '3D HNCA' . . . 15803 1 3 '3D HNCO' . . . 15803 1 4 '3D HN(CO)CA' . . . 15803 1 5 '3D HNCACB' . . . 15803 1 6 '3D CBCA(CO)NH' . . . 15803 1 7 '3D H(CCO)NH' . . . 15803 1 8 '2D 1H-13C HSQC' . . . 15803 1 9 '3D HCCH-TOCSY' . . . 15803 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HD2 H 1 7.029 0.000 . 1 . . . . 3 HIS HD2 . 15803 1 2 . 1 1 3 3 HIS HE1 H 1 7.924 0.000 . 1 . . . . 3 HIS HE1 . 15803 1 3 . 1 1 3 3 HIS CD2 C 13 120.013 0.000 . 1 . . . . 3 HIS CD2 . 15803 1 4 . 1 1 3 3 HIS CE1 C 13 138.399 0.000 . 1 . . . . 3 HIS CE1 . 15803 1 5 . 1 1 5 5 ALA H H 1 8.497 0.000 . 1 . . . . 5 ALA H . 15803 1 6 . 1 1 5 5 ALA HB1 H 1 1.421 0.000 . 1 . . . . 5 ALA HB1 . 15803 1 7 . 1 1 5 5 ALA HB2 H 1 1.421 0.000 . 1 . . . . 5 ALA HB2 . 15803 1 8 . 1 1 5 5 ALA HB3 H 1 1.421 0.000 . 1 . . . . 5 ALA HB3 . 15803 1 9 . 1 1 5 5 ALA CB C 13 19.184 0.000 . 1 . . . . 5 ALA CB . 15803 1 10 . 1 1 5 5 ALA N N 15 126.114 0.000 . 1 . . . . 5 ALA N . 15803 1 11 . 1 1 6 6 ALA H H 1 8.262 0.000 . 1 . . . . 6 ALA H . 15803 1 12 . 1 1 6 6 ALA HB1 H 1 1.310 0.000 . 1 . . . . 6 ALA HB1 . 15803 1 13 . 1 1 6 6 ALA HB2 H 1 1.310 0.000 . 1 . . . . 6 ALA HB2 . 15803 1 14 . 1 1 6 6 ALA HB3 H 1 1.310 0.000 . 1 . . . . 6 ALA HB3 . 15803 1 15 . 1 1 6 6 ALA CB C 13 19.193 0.000 . 1 . . . . 6 ALA CB . 15803 1 16 . 1 1 6 6 ALA N N 15 123.108 0.000 . 1 . . . . 6 ALA N . 15803 1 17 . 1 1 7 7 ASN H H 1 8.295 0.000 . 1 . . . . 7 ASN H . 15803 1 18 . 1 1 7 7 ASN N N 15 117.377 0.000 . 1 . . . . 7 ASN N . 15803 1 19 . 1 1 8 8 LYS H H 1 8.215 0.000 . 1 . . . . 8 LYS H . 15803 1 20 . 1 1 8 8 LYS N N 15 121.482 0.000 . 1 . . . . 8 LYS N . 15803 1 21 . 1 1 9 9 SER H H 1 8.247 0.000 . 1 . . . . 9 SER H . 15803 1 22 . 1 1 9 9 SER C C 13 172.016 0.000 . 1 . . . . 9 SER C . 15803 1 23 . 1 1 9 9 SER N N 15 116.485 0.000 . 1 . . . . 9 SER N . 15803 1 24 . 1 1 10 10 LYS H H 1 8.554 0.000 . 1 . . . . 10 LYS H . 15803 1 25 . 1 1 10 10 LYS C C 13 174.811 0.000 . 1 . . . . 10 LYS C . 15803 1 26 . 1 1 10 10 LYS N N 15 123.407 0.008 . 1 . . . . 10 LYS N . 15803 1 27 . 1 1 11 11 GLY H H 1 8.425 0.004 . 1 . . . . 11 GLY H . 15803 1 28 . 1 1 11 11 GLY HA2 H 1 3.873 0.002 . 1 . . . . 11 GLY HA2 . 15803 1 29 . 1 1 11 11 GLY HA3 H 1 3.873 0.002 . 1 . . . . 11 GLY HA3 . 15803 1 30 . 1 1 11 11 GLY C C 13 171.766 0.000 . 1 . . . . 11 GLY C . 15803 1 31 . 1 1 11 11 GLY CA C 13 45.316 0.015 . 1 . . . . 11 GLY CA . 15803 1 32 . 1 1 11 11 GLY N N 15 109.713 0.018 . 1 . . . . 11 GLY N . 15803 1 33 . 1 1 12 12 GLN H H 1 8.229 0.002 . 1 . . . . 12 GLN H . 15803 1 34 . 1 1 12 12 GLN HA H 1 4.294 0.001 . 1 . . . . 12 GLN HA . 15803 1 35 . 1 1 12 12 GLN HB2 H 1 1.916 0.006 . 2 . . . . 12 GLN HB2 . 15803 1 36 . 1 1 12 12 GLN HB3 H 1 2.039 0.001 . 2 . . . . 12 GLN HB3 . 15803 1 37 . 1 1 12 12 GLN HE21 H 1 6.788 0.004 . 1 . . . . 12 GLN HE21 . 15803 1 38 . 1 1 12 12 GLN HE22 H 1 7.466 0.007 . 1 . . . . 12 GLN HE22 . 15803 1 39 . 1 1 12 12 GLN HG2 H 1 2.270 0.003 . 1 . . . . 12 GLN HG2 . 15803 1 40 . 1 1 12 12 GLN HG3 H 1 2.270 0.003 . 1 . . . . 12 GLN HG3 . 15803 1 41 . 1 1 12 12 GLN C C 13 173.954 0.000 . 1 . . . . 12 GLN C . 15803 1 42 . 1 1 12 12 GLN CA C 13 56.094 0.021 . 1 . . . . 12 GLN CA . 15803 1 43 . 1 1 12 12 GLN CB C 13 29.565 0.001 . 1 . . . . 12 GLN CB . 15803 1 44 . 1 1 12 12 GLN CG C 13 33.800 0.039 . 1 . . . . 12 GLN CG . 15803 1 45 . 1 1 12 12 GLN N N 15 119.740 0.019 . 1 . . . . 12 GLN N . 15803 1 46 . 1 1 12 12 GLN NE2 N 15 112.129 0.049 . 1 . . . . 12 GLN NE2 . 15803 1 47 . 1 1 13 13 SER H H 1 8.403 0.004 . 1 . . . . 13 SER H . 15803 1 48 . 1 1 13 13 SER HA H 1 4.342 0.004 . 1 . . . . 13 SER HA . 15803 1 49 . 1 1 13 13 SER HB2 H 1 3.755 0.015 . 2 . . . . 13 SER HB2 . 15803 1 50 . 1 1 13 13 SER HB3 H 1 3.800 0.003 . 2 . . . . 13 SER HB3 . 15803 1 51 . 1 1 13 13 SER C C 13 172.385 0.000 . 1 . . . . 13 SER C . 15803 1 52 . 1 1 13 13 SER CA C 13 58.710 0.068 . 1 . . . . 13 SER CA . 15803 1 53 . 1 1 13 13 SER CB C 13 63.807 0.068 . 1 . . . . 13 SER CB . 15803 1 54 . 1 1 13 13 SER N N 15 117.303 0.043 . 1 . . . . 13 SER N . 15803 1 55 . 1 1 14 14 SER H H 1 8.515 0.005 . 1 . . . . 14 SER H . 15803 1 56 . 1 1 14 14 SER HA H 1 4.442 0.010 . 1 . . . . 14 SER HA . 15803 1 57 . 1 1 14 14 SER HB2 H 1 3.804 0.005 . 2 . . . . 14 SER HB2 . 15803 1 58 . 1 1 14 14 SER HB3 H 1 3.752 0.015 . 2 . . . . 14 SER HB3 . 15803 1 59 . 1 1 14 14 SER C C 13 172.832 0.000 . 1 . . . . 14 SER C . 15803 1 60 . 1 1 14 14 SER CA C 13 58.247 0.104 . 1 . . . . 14 SER CA . 15803 1 61 . 1 1 14 14 SER CB C 13 63.862 0.059 . 1 . . . . 14 SER CB . 15803 1 62 . 1 1 14 14 SER N N 15 117.372 0.017 . 1 . . . . 14 SER N . 15803 1 63 . 1 1 15 15 LEU H H 1 8.218 0.005 . 1 . . . . 15 LEU H . 15803 1 64 . 1 1 15 15 LEU HA H 1 4.080 0.008 . 1 . . . . 15 LEU HA . 15803 1 65 . 1 1 15 15 LEU HB2 H 1 1.577 0.006 . 2 . . . . 15 LEU HB2 . 15803 1 66 . 1 1 15 15 LEU HB3 H 1 1.524 0.015 . 2 . . . . 15 LEU HB3 . 15803 1 67 . 1 1 15 15 LEU HD11 H 1 0.833 0.005 . 2 . . . . 15 LEU HD11 . 15803 1 68 . 1 1 15 15 LEU HD12 H 1 0.833 0.005 . 2 . . . . 15 LEU HD12 . 15803 1 69 . 1 1 15 15 LEU HD13 H 1 0.833 0.005 . 2 . . . . 15 LEU HD13 . 15803 1 70 . 1 1 15 15 LEU HD21 H 1 0.799 0.007 . 2 . . . . 15 LEU HD21 . 15803 1 71 . 1 1 15 15 LEU HD22 H 1 0.799 0.007 . 2 . . . . 15 LEU HD22 . 15803 1 72 . 1 1 15 15 LEU HD23 H 1 0.799 0.007 . 2 . . . . 15 LEU HD23 . 15803 1 73 . 1 1 15 15 LEU HG H 1 1.634 0.005 . 1 . . . . 15 LEU HG . 15803 1 74 . 1 1 15 15 LEU C C 13 173.747 0.000 . 1 . . . . 15 LEU C . 15803 1 75 . 1 1 15 15 LEU CA C 13 55.667 0.027 . 1 . . . . 15 LEU CA . 15803 1 76 . 1 1 15 15 LEU CB C 13 41.859 0.101 . 1 . . . . 15 LEU CB . 15803 1 77 . 1 1 15 15 LEU CD1 C 13 25.293 0.031 . 2 . . . . 15 LEU CD1 . 15803 1 78 . 1 1 15 15 LEU CD2 C 13 24.250 0.025 . 2 . . . . 15 LEU CD2 . 15803 1 79 . 1 1 15 15 LEU CG C 13 27.284 0.038 . 1 . . . . 15 LEU CG . 15803 1 80 . 1 1 15 15 LEU N N 15 123.753 0.082 . 1 . . . . 15 LEU N . 15803 1 81 . 1 1 16 16 ALA H H 1 8.015 0.009 . 1 . . . . 16 ALA H . 15803 1 82 . 1 1 16 16 ALA HA H 1 4.181 0.008 . 1 . . . . 16 ALA HA . 15803 1 83 . 1 1 16 16 ALA HB1 H 1 1.213 0.005 . 1 . . . . 16 ALA HB1 . 15803 1 84 . 1 1 16 16 ALA HB2 H 1 1.213 0.005 . 1 . . . . 16 ALA HB2 . 15803 1 85 . 1 1 16 16 ALA HB3 H 1 1.213 0.005 . 1 . . . . 16 ALA HB3 . 15803 1 86 . 1 1 16 16 ALA C C 13 173.265 0.000 . 1 . . . . 16 ALA C . 15803 1 87 . 1 1 16 16 ALA CA C 13 51.640 0.082 . 1 . . . . 16 ALA CA . 15803 1 88 . 1 1 16 16 ALA CB C 13 19.485 0.023 . 1 . . . . 16 ALA CB . 15803 1 89 . 1 1 16 16 ALA N N 15 120.457 0.062 . 1 . . . . 16 ALA N . 15803 1 90 . 1 1 17 17 LEU H H 1 6.867 0.018 . 1 . . . . 17 LEU H . 15803 1 91 . 1 1 17 17 LEU HA H 1 4.972 0.009 . 1 . . . . 17 LEU HA . 15803 1 92 . 1 1 17 17 LEU HB2 H 1 1.324 0.010 . 2 . . . . 17 LEU HB2 . 15803 1 93 . 1 1 17 17 LEU HB3 H 1 1.094 0.019 . 2 . . . . 17 LEU HB3 . 15803 1 94 . 1 1 17 17 LEU HD11 H 1 0.551 0.004 . 2 . . . . 17 LEU HD11 . 15803 1 95 . 1 1 17 17 LEU HD12 H 1 0.551 0.004 . 2 . . . . 17 LEU HD12 . 15803 1 96 . 1 1 17 17 LEU HD13 H 1 0.551 0.004 . 2 . . . . 17 LEU HD13 . 15803 1 97 . 1 1 17 17 LEU HD21 H 1 0.531 0.007 . 2 . . . . 17 LEU HD21 . 15803 1 98 . 1 1 17 17 LEU HD22 H 1 0.531 0.007 . 2 . . . . 17 LEU HD22 . 15803 1 99 . 1 1 17 17 LEU HD23 H 1 0.531 0.007 . 2 . . . . 17 LEU HD23 . 15803 1 100 . 1 1 17 17 LEU HG H 1 0.949 0.005 . 1 . . . . 17 LEU HG . 15803 1 101 . 1 1 17 17 LEU C C 13 172.086 0.000 . 1 . . . . 17 LEU C . 15803 1 102 . 1 1 17 17 LEU CA C 13 53.687 0.124 . 1 . . . . 17 LEU CA . 15803 1 103 . 1 1 17 17 LEU CB C 13 44.723 0.033 . 1 . . . . 17 LEU CB . 15803 1 104 . 1 1 17 17 LEU CD1 C 13 25.497 0.055 . 2 . . . . 17 LEU CD1 . 15803 1 105 . 1 1 17 17 LEU CD2 C 13 23.424 0.089 . 2 . . . . 17 LEU CD2 . 15803 1 106 . 1 1 17 17 LEU CG C 13 27.945 0.041 . 1 . . . . 17 LEU CG . 15803 1 107 . 1 1 17 17 LEU N N 15 122.673 0.031 . 1 . . . . 17 LEU N . 15803 1 108 . 1 1 18 18 HIS H H 1 8.366 0.006 . 1 . . . . 18 HIS H . 15803 1 109 . 1 1 18 18 HIS HA H 1 5.341 0.006 . 1 . . . . 18 HIS HA . 15803 1 110 . 1 1 18 18 HIS HB2 H 1 2.717 0.010 . 2 . . . . 18 HIS HB2 . 15803 1 111 . 1 1 18 18 HIS HB3 H 1 2.655 0.011 . 2 . . . . 18 HIS HB3 . 15803 1 112 . 1 1 18 18 HIS HD2 H 1 6.575 0.009 . 1 . . . . 18 HIS HD2 . 15803 1 113 . 1 1 18 18 HIS HE1 H 1 7.278 0.008 . 1 . . . . 18 HIS HE1 . 15803 1 114 . 1 1 18 18 HIS C C 13 172.169 0.000 . 1 . . . . 18 HIS C . 15803 1 115 . 1 1 18 18 HIS CA C 13 53.457 0.099 . 1 . . . . 18 HIS CA . 15803 1 116 . 1 1 18 18 HIS CB C 13 33.553 0.080 . 1 . . . . 18 HIS CB . 15803 1 117 . 1 1 18 18 HIS CD2 C 13 117.093 0.100 . 1 . . . . 18 HIS CD2 . 15803 1 118 . 1 1 18 18 HIS CE1 C 13 137.765 0.064 . 1 . . . . 18 HIS CE1 . 15803 1 119 . 1 1 18 18 HIS N N 15 124.934 0.038 . 1 . . . . 18 HIS N . 15803 1 120 . 1 1 19 19 LYS H H 1 8.421 0.003 . 1 . . . . 19 LYS H . 15803 1 121 . 1 1 19 19 LYS HA H 1 4.751 0.019 . 1 . . . . 19 LYS HA . 15803 1 122 . 1 1 19 19 LYS HB2 H 1 1.330 0.011 . 2 . . . . 19 LYS HB2 . 15803 1 123 . 1 1 19 19 LYS HB3 H 1 1.586 0.001 . 2 . . . . 19 LYS HB3 . 15803 1 124 . 1 1 19 19 LYS HD2 H 1 0.585 0.009 . 2 . . . . 19 LYS HD2 . 15803 1 125 . 1 1 19 19 LYS HD3 H 1 0.844 0.007 . 2 . . . . 19 LYS HD3 . 15803 1 126 . 1 1 19 19 LYS HE2 H 1 2.096 0.006 . 2 . . . . 19 LYS HE2 . 15803 1 127 . 1 1 19 19 LYS HE3 H 1 2.278 0.004 . 2 . . . . 19 LYS HE3 . 15803 1 128 . 1 1 19 19 LYS HG2 H 1 0.551 0.004 . 2 . . . . 19 LYS HG2 . 15803 1 129 . 1 1 19 19 LYS HG3 H 1 0.834 0.005 . 2 . . . . 19 LYS HG3 . 15803 1 130 . 1 1 19 19 LYS C C 13 173.090 0.008 . 1 . . . . 19 LYS C . 15803 1 131 . 1 1 19 19 LYS CB C 13 33.668 0.109 . 1 . . . . 19 LYS CB . 15803 1 132 . 1 1 19 19 LYS CD C 13 29.342 0.052 . 1 . . . . 19 LYS CD . 15803 1 133 . 1 1 19 19 LYS CE C 13 41.571 0.046 . 1 . . . . 19 LYS CE . 15803 1 134 . 1 1 19 19 LYS CG C 13 25.427 0.070 . 1 . . . . 19 LYS CG . 15803 1 135 . 1 1 19 19 LYS N N 15 122.871 0.077 . 1 . . . . 19 LYS N . 15803 1 136 . 1 1 20 20 VAL H H 1 9.666 0.010 . 1 . . . . 20 VAL H . 15803 1 137 . 1 1 20 20 VAL HA H 1 4.506 0.013 . 1 . . . . 20 VAL HA . 15803 1 138 . 1 1 20 20 VAL HB H 1 1.933 0.009 . 1 . . . . 20 VAL HB . 15803 1 139 . 1 1 20 20 VAL HG11 H 1 0.655 0.008 . 2 . . . . 20 VAL HG11 . 15803 1 140 . 1 1 20 20 VAL HG12 H 1 0.655 0.008 . 2 . . . . 20 VAL HG12 . 15803 1 141 . 1 1 20 20 VAL HG13 H 1 0.655 0.008 . 2 . . . . 20 VAL HG13 . 15803 1 142 . 1 1 20 20 VAL HG21 H 1 0.716 0.008 . 2 . . . . 20 VAL HG21 . 15803 1 143 . 1 1 20 20 VAL HG22 H 1 0.716 0.008 . 2 . . . . 20 VAL HG22 . 15803 1 144 . 1 1 20 20 VAL HG23 H 1 0.716 0.008 . 2 . . . . 20 VAL HG23 . 15803 1 145 . 1 1 20 20 VAL C C 13 171.270 0.000 . 1 . . . . 20 VAL C . 15803 1 146 . 1 1 20 20 VAL CA C 13 61.170 0.033 . 1 . . . . 20 VAL CA . 15803 1 147 . 1 1 20 20 VAL CB C 13 35.068 0.134 . 1 . . . . 20 VAL CB . 15803 1 148 . 1 1 20 20 VAL CG1 C 13 21.283 0.058 . 2 . . . . 20 VAL CG1 . 15803 1 149 . 1 1 20 20 VAL CG2 C 13 21.346 0.027 . 2 . . . . 20 VAL CG2 . 15803 1 150 . 1 1 20 20 VAL N N 15 126.887 0.037 . 1 . . . . 20 VAL N . 15803 1 151 . 1 1 21 21 ILE H H 1 7.983 0.004 . 1 . . . . 21 ILE H . 15803 1 152 . 1 1 21 21 ILE HA H 1 4.977 0.006 . 1 . . . . 21 ILE HA . 15803 1 153 . 1 1 21 21 ILE HB H 1 1.575 0.006 . 1 . . . . 21 ILE HB . 15803 1 154 . 1 1 21 21 ILE HD11 H 1 0.994 0.008 . 1 . . . . 21 ILE HD11 . 15803 1 155 . 1 1 21 21 ILE HD12 H 1 0.994 0.008 . 1 . . . . 21 ILE HD12 . 15803 1 156 . 1 1 21 21 ILE HD13 H 1 0.994 0.008 . 1 . . . . 21 ILE HD13 . 15803 1 157 . 1 1 21 21 ILE HG12 H 1 1.178 0.000 . 2 . . . . 21 ILE HG12 . 15803 1 158 . 1 1 21 21 ILE HG13 H 1 1.427 0.005 . 2 . . . . 21 ILE HG13 . 15803 1 159 . 1 1 21 21 ILE HG21 H 1 0.923 0.007 . 1 . . . . 21 ILE HG21 . 15803 1 160 . 1 1 21 21 ILE HG22 H 1 0.923 0.007 . 1 . . . . 21 ILE HG22 . 15803 1 161 . 1 1 21 21 ILE HG23 H 1 0.923 0.007 . 1 . . . . 21 ILE HG23 . 15803 1 162 . 1 1 21 21 ILE C C 13 172.695 0.000 . 1 . . . . 21 ILE C . 15803 1 163 . 1 1 21 21 ILE CA C 13 59.245 0.143 . 1 . . . . 21 ILE CA . 15803 1 164 . 1 1 21 21 ILE CB C 13 38.780 0.063 . 1 . . . . 21 ILE CB . 15803 1 165 . 1 1 21 21 ILE CD1 C 13 15.553 0.045 . 1 . . . . 21 ILE CD1 . 15803 1 166 . 1 1 21 21 ILE CG1 C 13 27.943 0.039 . 1 . . . . 21 ILE CG1 . 15803 1 167 . 1 1 21 21 ILE CG2 C 13 17.850 0.041 . 1 . . . . 21 ILE CG2 . 15803 1 168 . 1 1 21 21 ILE N N 15 123.798 0.056 . 1 . . . . 21 ILE N . 15803 1 169 . 1 1 22 22 MET H H 1 8.420 0.005 . 1 . . . . 22 MET H . 15803 1 170 . 1 1 22 22 MET HA H 1 5.052 0.017 . 1 . . . . 22 MET HA . 15803 1 171 . 1 1 22 22 MET HB2 H 1 1.700 0.000 . 2 . . . . 22 MET HB2 . 15803 1 172 . 1 1 22 22 MET HB3 H 1 2.379 0.007 . 2 . . . . 22 MET HB3 . 15803 1 173 . 1 1 22 22 MET HE1 H 1 1.808 0.008 . 1 . . . . 22 MET HE1 . 15803 1 174 . 1 1 22 22 MET HE2 H 1 1.808 0.008 . 1 . . . . 22 MET HE2 . 15803 1 175 . 1 1 22 22 MET HE3 H 1 1.808 0.008 . 1 . . . . 22 MET HE3 . 15803 1 176 . 1 1 22 22 MET C C 13 173.259 0.000 . 1 . . . . 22 MET C . 15803 1 177 . 1 1 22 22 MET CA C 13 52.785 0.088 . 1 . . . . 22 MET CA . 15803 1 178 . 1 1 22 22 MET CB C 13 31.292 0.089 . 1 . . . . 22 MET CB . 15803 1 179 . 1 1 22 22 MET CE C 13 16.020 0.022 . 1 . . . . 22 MET CE . 15803 1 180 . 1 1 22 22 MET N N 15 123.260 0.055 . 1 . . . . 22 MET N . 15803 1 181 . 1 1 23 23 VAL H H 1 9.031 0.005 . 1 . . . . 23 VAL H . 15803 1 182 . 1 1 23 23 VAL HA H 1 4.299 0.009 . 1 . . . . 23 VAL HA . 15803 1 183 . 1 1 23 23 VAL HB H 1 1.813 0.007 . 1 . . . . 23 VAL HB . 15803 1 184 . 1 1 23 23 VAL HG11 H 1 0.727 0.013 . 2 . . . . 23 VAL HG11 . 15803 1 185 . 1 1 23 23 VAL HG12 H 1 0.727 0.013 . 2 . . . . 23 VAL HG12 . 15803 1 186 . 1 1 23 23 VAL HG13 H 1 0.727 0.013 . 2 . . . . 23 VAL HG13 . 15803 1 187 . 1 1 23 23 VAL HG21 H 1 0.829 0.006 . 2 . . . . 23 VAL HG21 . 15803 1 188 . 1 1 23 23 VAL HG22 H 1 0.829 0.006 . 2 . . . . 23 VAL HG22 . 15803 1 189 . 1 1 23 23 VAL HG23 H 1 0.829 0.006 . 2 . . . . 23 VAL HG23 . 15803 1 190 . 1 1 23 23 VAL CA C 13 59.995 0.115 . 1 . . . . 23 VAL CA . 15803 1 191 . 1 1 23 23 VAL CB C 13 35.257 0.171 . 1 . . . . 23 VAL CB . 15803 1 192 . 1 1 23 23 VAL CG1 C 13 22.702 0.126 . 2 . . . . 23 VAL CG1 . 15803 1 193 . 1 1 23 23 VAL CG2 C 13 23.148 0.039 . 2 . . . . 23 VAL CG2 . 15803 1 194 . 1 1 23 23 VAL N N 15 122.730 0.040 . 1 . . . . 23 VAL N . 15803 1 195 . 1 1 24 24 GLY H H 1 7.743 0.008 . 1 . . . . 24 GLY H . 15803 1 196 . 1 1 24 24 GLY N N 15 112.261 0.029 . 1 . . . . 24 GLY N . 15803 1 197 . 1 1 25 25 SER H H 1 9.408 0.006 . 1 . . . . 25 SER H . 15803 1 198 . 1 1 25 25 SER HA H 1 4.389 0.022 . 1 . . . . 25 SER HA . 15803 1 199 . 1 1 25 25 SER HB2 H 1 3.977 0.007 . 1 . . . . 25 SER HB2 . 15803 1 200 . 1 1 25 25 SER HB3 H 1 3.977 0.007 . 1 . . . . 25 SER HB3 . 15803 1 201 . 1 1 25 25 SER C C 13 171.692 0.000 . 1 . . . . 25 SER C . 15803 1 202 . 1 1 25 25 SER CB C 13 63.884 0.071 . 1 . . . . 25 SER CB . 15803 1 203 . 1 1 25 25 SER N N 15 115.754 0.076 . 1 . . . . 25 SER N . 15803 1 204 . 1 1 26 26 GLY H H 1 8.448 0.003 . 1 . . . . 26 GLY H . 15803 1 205 . 1 1 26 26 GLY HA2 H 1 3.649 0.011 . 2 . . . . 26 GLY HA2 . 15803 1 206 . 1 1 26 26 GLY HA3 H 1 4.736 0.004 . 2 . . . . 26 GLY HA3 . 15803 1 207 . 1 1 26 26 GLY C C 13 174.117 0.000 . 1 . . . . 26 GLY C . 15803 1 208 . 1 1 26 26 GLY CA C 13 46.729 0.034 . 1 . . . . 26 GLY CA . 15803 1 209 . 1 1 26 26 GLY N N 15 106.659 0.069 . 1 . . . . 26 GLY N . 15803 1 210 . 1 1 27 27 GLY H H 1 9.119 0.003 . 1 . . . . 27 GLY H . 15803 1 211 . 1 1 27 27 GLY HA2 H 1 3.931 0.002 . 2 . . . . 27 GLY HA2 . 15803 1 212 . 1 1 27 27 GLY HA3 H 1 3.047 0.000 . 2 . . . . 27 GLY HA3 . 15803 1 213 . 1 1 27 27 GLY C C 13 171.308 0.000 . 1 . . . . 27 GLY C . 15803 1 214 . 1 1 27 27 GLY CA C 13 45.994 0.158 . 1 . . . . 27 GLY CA . 15803 1 215 . 1 1 27 27 GLY N N 15 113.413 0.015 . 1 . . . . 27 GLY N . 15803 1 216 . 1 1 28 28 VAL H H 1 7.177 0.007 . 1 . . . . 28 VAL H . 15803 1 217 . 1 1 28 28 VAL HA H 1 3.702 0.006 . 1 . . . . 28 VAL HA . 15803 1 218 . 1 1 28 28 VAL HB H 1 1.849 0.004 . 1 . . . . 28 VAL HB . 15803 1 219 . 1 1 28 28 VAL HG11 H 1 0.835 0.012 . 2 . . . . 28 VAL HG11 . 15803 1 220 . 1 1 28 28 VAL HG12 H 1 0.835 0.012 . 2 . . . . 28 VAL HG12 . 15803 1 221 . 1 1 28 28 VAL HG13 H 1 0.835 0.012 . 2 . . . . 28 VAL HG13 . 15803 1 222 . 1 1 28 28 VAL HG21 H 1 0.934 0.012 . 2 . . . . 28 VAL HG21 . 15803 1 223 . 1 1 28 28 VAL HG22 H 1 0.934 0.012 . 2 . . . . 28 VAL HG22 . 15803 1 224 . 1 1 28 28 VAL HG23 H 1 0.934 0.012 . 2 . . . . 28 VAL HG23 . 15803 1 225 . 1 1 28 28 VAL C C 13 172.050 0.000 . 1 . . . . 28 VAL C . 15803 1 226 . 1 1 28 28 VAL CA C 13 63.041 0.003 . 1 . . . . 28 VAL CA . 15803 1 227 . 1 1 28 28 VAL CB C 13 31.691 0.064 . 1 . . . . 28 VAL CB . 15803 1 228 . 1 1 28 28 VAL CG1 C 13 17.436 0.076 . 2 . . . . 28 VAL CG1 . 15803 1 229 . 1 1 28 28 VAL CG2 C 13 22.383 0.053 . 2 . . . . 28 VAL CG2 . 15803 1 230 . 1 1 28 28 VAL N N 15 111.692 0.033 . 1 . . . . 28 VAL N . 15803 1 231 . 1 1 29 29 GLY H H 1 8.234 0.004 . 1 . . . . 29 GLY H . 15803 1 232 . 1 1 29 29 GLY HA2 H 1 4.281 0.009 . 2 . . . . 29 GLY HA2 . 15803 1 233 . 1 1 29 29 GLY HA3 H 1 4.647 0.012 . 2 . . . . 29 GLY HA3 . 15803 1 234 . 1 1 29 29 GLY C C 13 171.564 0.000 . 1 . . . . 29 GLY C . 15803 1 235 . 1 1 29 29 GLY CA C 13 45.484 0.060 . 1 . . . . 29 GLY CA . 15803 1 236 . 1 1 29 29 GLY N N 15 107.107 0.076 . 1 . . . . 29 GLY N . 15803 1 237 . 1 1 30 30 LYS H H 1 8.980 0.006 . 1 . . . . 30 LYS H . 15803 1 238 . 1 1 30 30 LYS HA H 1 3.568 0.004 . 1 . . . . 30 LYS HA . 15803 1 239 . 1 1 30 30 LYS HB2 H 1 1.620 0.003 . 2 . . . . 30 LYS HB2 . 15803 1 240 . 1 1 30 30 LYS HB3 H 1 2.376 0.015 . 2 . . . . 30 LYS HB3 . 15803 1 241 . 1 1 30 30 LYS C C 13 177.153 0.000 . 1 . . . . 30 LYS C . 15803 1 242 . 1 1 30 30 LYS CA C 13 61.218 0.055 . 1 . . . . 30 LYS CA . 15803 1 243 . 1 1 30 30 LYS CB C 13 30.273 0.014 . 1 . . . . 30 LYS CB . 15803 1 244 . 1 1 30 30 LYS N N 15 123.037 0.053 . 1 . . . . 30 LYS N . 15803 1 245 . 1 1 31 31 SER H H 1 9.445 0.006 . 1 . . . . 31 SER H . 15803 1 246 . 1 1 31 31 SER HA H 1 4.121 0.012 . 1 . . . . 31 SER HA . 15803 1 247 . 1 1 31 31 SER HB2 H 1 3.770 0.003 . 1 . . . . 31 SER HB2 . 15803 1 248 . 1 1 31 31 SER HB3 H 1 3.770 0.003 . 1 . . . . 31 SER HB3 . 15803 1 249 . 1 1 31 31 SER HG H 1 4.154 0.007 . 1 . . . . 31 SER HG . 15803 1 250 . 1 1 31 31 SER C C 13 173.214 0.000 . 1 . . . . 31 SER C . 15803 1 251 . 1 1 31 31 SER CA C 13 61.319 0.058 . 1 . . . . 31 SER CA . 15803 1 252 . 1 1 31 31 SER N N 15 120.419 0.057 . 1 . . . . 31 SER N . 15803 1 253 . 1 1 32 32 ALA H H 1 9.409 0.006 . 1 . . . . 32 ALA H . 15803 1 254 . 1 1 32 32 ALA HA H 1 4.109 0.010 . 1 . . . . 32 ALA HA . 15803 1 255 . 1 1 32 32 ALA HB1 H 1 1.355 0.006 . 1 . . . . 32 ALA HB1 . 15803 1 256 . 1 1 32 32 ALA HB2 H 1 1.355 0.006 . 1 . . . . 32 ALA HB2 . 15803 1 257 . 1 1 32 32 ALA HB3 H 1 1.355 0.006 . 1 . . . . 32 ALA HB3 . 15803 1 258 . 1 1 32 32 ALA C C 13 179.625 0.000 . 1 . . . . 32 ALA C . 15803 1 259 . 1 1 32 32 ALA CA C 13 54.430 0.020 . 1 . . . . 32 ALA CA . 15803 1 260 . 1 1 32 32 ALA CB C 13 18.768 0.067 . 1 . . . . 32 ALA CB . 15803 1 261 . 1 1 32 32 ALA N N 15 126.089 0.048 . 1 . . . . 32 ALA N . 15803 1 262 . 1 1 33 33 LEU H H 1 8.662 0.005 . 1 . . . . 33 LEU H . 15803 1 263 . 1 1 33 33 LEU HA H 1 3.856 0.006 . 1 . . . . 33 LEU HA . 15803 1 264 . 1 1 33 33 LEU HB2 H 1 1.140 0.010 . 2 . . . . 33 LEU HB2 . 15803 1 265 . 1 1 33 33 LEU HB3 H 1 2.121 0.010 . 2 . . . . 33 LEU HB3 . 15803 1 266 . 1 1 33 33 LEU HD11 H 1 0.570 0.007 . 2 . . . . 33 LEU HD11 . 15803 1 267 . 1 1 33 33 LEU HD12 H 1 0.570 0.007 . 2 . . . . 33 LEU HD12 . 15803 1 268 . 1 1 33 33 LEU HD13 H 1 0.570 0.007 . 2 . . . . 33 LEU HD13 . 15803 1 269 . 1 1 33 33 LEU HD21 H 1 0.761 0.007 . 2 . . . . 33 LEU HD21 . 15803 1 270 . 1 1 33 33 LEU HD22 H 1 0.761 0.007 . 2 . . . . 33 LEU HD22 . 15803 1 271 . 1 1 33 33 LEU HD23 H 1 0.761 0.007 . 2 . . . . 33 LEU HD23 . 15803 1 272 . 1 1 33 33 LEU HG H 1 1.843 0.006 . 1 . . . . 33 LEU HG . 15803 1 273 . 1 1 33 33 LEU C C 13 175.591 0.000 . 1 . . . . 33 LEU C . 15803 1 274 . 1 1 33 33 LEU CA C 13 58.981 0.115 . 1 . . . . 33 LEU CA . 15803 1 275 . 1 1 33 33 LEU CB C 13 43.579 0.112 . 1 . . . . 33 LEU CB . 15803 1 276 . 1 1 33 33 LEU CD1 C 13 26.657 0.058 . 2 . . . . 33 LEU CD1 . 15803 1 277 . 1 1 33 33 LEU CD2 C 13 24.288 0.036 . 2 . . . . 33 LEU CD2 . 15803 1 278 . 1 1 33 33 LEU CG C 13 27.404 0.076 . 1 . . . . 33 LEU CG . 15803 1 279 . 1 1 33 33 LEU N N 15 119.273 0.050 . 1 . . . . 33 LEU N . 15803 1 280 . 1 1 34 34 THR H H 1 7.555 0.005 . 1 . . . . 34 THR H . 15803 1 281 . 1 1 34 34 THR HA H 1 4.167 0.008 . 1 . . . . 34 THR HA . 15803 1 282 . 1 1 34 34 THR HB H 1 3.383 0.005 . 1 . . . . 34 THR HB . 15803 1 283 . 1 1 34 34 THR HG1 H 1 4.342 0.009 . 1 . . . . 34 THR HG1 . 15803 1 284 . 1 1 34 34 THR HG21 H 1 0.537 0.004 . 1 . . . . 34 THR HG21 . 15803 1 285 . 1 1 34 34 THR HG22 H 1 0.537 0.004 . 1 . . . . 34 THR HG22 . 15803 1 286 . 1 1 34 34 THR HG23 H 1 0.537 0.004 . 1 . . . . 34 THR HG23 . 15803 1 287 . 1 1 34 34 THR C C 13 173.737 0.000 . 1 . . . . 34 THR C . 15803 1 288 . 1 1 34 34 THR CA C 13 68.052 0.051 . 1 . . . . 34 THR CA . 15803 1 289 . 1 1 34 34 THR CB C 13 68.431 0.031 . 1 . . . . 34 THR CB . 15803 1 290 . 1 1 34 34 THR CG2 C 13 22.930 0.054 . 1 . . . . 34 THR CG2 . 15803 1 291 . 1 1 34 34 THR N N 15 116.288 0.070 . 1 . . . . 34 THR N . 15803 1 292 . 1 1 35 35 LEU H H 1 9.067 0.004 . 1 . . . . 35 LEU H . 15803 1 293 . 1 1 35 35 LEU HA H 1 3.654 0.013 . 1 . . . . 35 LEU HA . 15803 1 294 . 1 1 35 35 LEU HB2 H 1 1.901 0.007 . 2 . . . . 35 LEU HB2 . 15803 1 295 . 1 1 35 35 LEU HB3 H 1 1.430 0.012 . 2 . . . . 35 LEU HB3 . 15803 1 296 . 1 1 35 35 LEU HD11 H 1 0.714 0.004 . 2 . . . . 35 LEU HD11 . 15803 1 297 . 1 1 35 35 LEU HD12 H 1 0.714 0.004 . 2 . . . . 35 LEU HD12 . 15803 1 298 . 1 1 35 35 LEU HD13 H 1 0.714 0.004 . 2 . . . . 35 LEU HD13 . 15803 1 299 . 1 1 35 35 LEU HD21 H 1 0.748 0.005 . 2 . . . . 35 LEU HD21 . 15803 1 300 . 1 1 35 35 LEU HD22 H 1 0.748 0.005 . 2 . . . . 35 LEU HD22 . 15803 1 301 . 1 1 35 35 LEU HD23 H 1 0.748 0.005 . 2 . . . . 35 LEU HD23 . 15803 1 302 . 1 1 35 35 LEU HG H 1 1.622 0.005 . 1 . . . . 35 LEU HG . 15803 1 303 . 1 1 35 35 LEU C C 13 178.363 0.000 . 1 . . . . 35 LEU C . 15803 1 304 . 1 1 35 35 LEU CA C 13 58.273 0.049 . 1 . . . . 35 LEU CA . 15803 1 305 . 1 1 35 35 LEU CB C 13 40.791 0.043 . 1 . . . . 35 LEU CB . 15803 1 306 . 1 1 35 35 LEU CD1 C 13 25.365 0.050 . 2 . . . . 35 LEU CD1 . 15803 1 307 . 1 1 35 35 LEU CD2 C 13 22.259 0.040 . 2 . . . . 35 LEU CD2 . 15803 1 308 . 1 1 35 35 LEU CG C 13 27.320 0.000 . 1 . . . . 35 LEU CG . 15803 1 309 . 1 1 35 35 LEU N N 15 120.839 0.081 . 1 . . . . 35 LEU N . 15803 1 310 . 1 1 36 36 GLN H H 1 7.840 0.007 . 1 . . . . 36 GLN H . 15803 1 311 . 1 1 36 36 GLN HA H 1 4.501 0.012 . 1 . . . . 36 GLN HA . 15803 1 312 . 1 1 36 36 GLN HB2 H 1 1.928 0.005 . 2 . . . . 36 GLN HB2 . 15803 1 313 . 1 1 36 36 GLN HB3 H 1 1.967 0.000 . 2 . . . . 36 GLN HB3 . 15803 1 314 . 1 1 36 36 GLN HE21 H 1 6.412 0.010 . 1 . . . . 36 GLN HE21 . 15803 1 315 . 1 1 36 36 GLN HE22 H 1 7.707 0.005 . 1 . . . . 36 GLN HE22 . 15803 1 316 . 1 1 36 36 GLN HG2 H 1 2.309 0.000 . 2 . . . . 36 GLN HG2 . 15803 1 317 . 1 1 36 36 GLN HG3 H 1 2.650 0.015 . 2 . . . . 36 GLN HG3 . 15803 1 318 . 1 1 36 36 GLN C C 13 176.304 0.000 . 1 . . . . 36 GLN C . 15803 1 319 . 1 1 36 36 GLN CB C 13 30.563 0.050 . 1 . . . . 36 GLN CB . 15803 1 320 . 1 1 36 36 GLN N N 15 121.364 0.053 . 1 . . . . 36 GLN N . 15803 1 321 . 1 1 36 36 GLN NE2 N 15 107.375 0.058 . 1 . . . . 36 GLN NE2 . 15803 1 322 . 1 1 37 37 PHE H H 1 7.924 0.006 . 1 . . . . 37 PHE H . 15803 1 323 . 1 1 37 37 PHE HA H 1 3.767 0.009 . 1 . . . . 37 PHE HA . 15803 1 324 . 1 1 37 37 PHE HB2 H 1 2.594 0.007 . 2 . . . . 37 PHE HB2 . 15803 1 325 . 1 1 37 37 PHE HB3 H 1 2.227 0.013 . 2 . . . . 37 PHE HB3 . 15803 1 326 . 1 1 37 37 PHE HD1 H 1 6.461 0.013 . 3 . . . . 37 PHE HD1 . 15803 1 327 . 1 1 37 37 PHE HD2 H 1 6.461 0.013 . 3 . . . . 37 PHE HD2 . 15803 1 328 . 1 1 37 37 PHE HE1 H 1 6.871 0.007 . 3 . . . . 37 PHE HE1 . 15803 1 329 . 1 1 37 37 PHE HE2 H 1 6.871 0.007 . 3 . . . . 37 PHE HE2 . 15803 1 330 . 1 1 37 37 PHE HZ H 1 6.633 0.003 . 1 . . . . 37 PHE HZ . 15803 1 331 . 1 1 37 37 PHE C C 13 175.560 0.000 . 1 . . . . 37 PHE C . 15803 1 332 . 1 1 37 37 PHE CA C 13 61.374 0.059 . 1 . . . . 37 PHE CA . 15803 1 333 . 1 1 37 37 PHE CB C 13 39.714 0.074 . 1 . . . . 37 PHE CB . 15803 1 334 . 1 1 37 37 PHE CD1 C 13 131.781 0.075 . 3 . . . . 37 PHE CD1 . 15803 1 335 . 1 1 37 37 PHE CD2 C 13 131.781 0.075 . 3 . . . . 37 PHE CD2 . 15803 1 336 . 1 1 37 37 PHE CE1 C 13 130.335 0.094 . 3 . . . . 37 PHE CE1 . 15803 1 337 . 1 1 37 37 PHE CE2 C 13 130.335 0.094 . 3 . . . . 37 PHE CE2 . 15803 1 338 . 1 1 37 37 PHE CZ C 13 127.411 0.039 . 1 . . . . 37 PHE CZ . 15803 1 339 . 1 1 37 37 PHE N N 15 119.667 0.061 . 1 . . . . 37 PHE N . 15803 1 340 . 1 1 38 38 MET H H 1 8.562 0.004 . 1 . . . . 38 MET H . 15803 1 341 . 1 1 38 38 MET HA H 1 3.573 0.011 . 1 . . . . 38 MET HA . 15803 1 342 . 1 1 38 38 MET HB2 H 1 -0.086 0.006 . 2 . . . . 38 MET HB2 . 15803 1 343 . 1 1 38 38 MET HB3 H 1 1.032 0.008 . 2 . . . . 38 MET HB3 . 15803 1 344 . 1 1 38 38 MET HE1 H 1 1.660 0.006 . 1 . . . . 38 MET HE1 . 15803 1 345 . 1 1 38 38 MET HE2 H 1 1.660 0.006 . 1 . . . . 38 MET HE2 . 15803 1 346 . 1 1 38 38 MET HE3 H 1 1.660 0.006 . 1 . . . . 38 MET HE3 . 15803 1 347 . 1 1 38 38 MET HG2 H 1 1.876 0.000 . 1 . . . . 38 MET HG2 . 15803 1 348 . 1 1 38 38 MET HG3 H 1 1.876 0.000 . 1 . . . . 38 MET HG3 . 15803 1 349 . 1 1 38 38 MET C C 13 175.993 0.000 . 1 . . . . 38 MET C . 15803 1 350 . 1 1 38 38 MET CA C 13 55.765 0.105 . 1 . . . . 38 MET CA . 15803 1 351 . 1 1 38 38 MET CB C 13 30.295 0.063 . 1 . . . . 38 MET CB . 15803 1 352 . 1 1 38 38 MET CE C 13 15.247 0.039 . 1 . . . . 38 MET CE . 15803 1 353 . 1 1 38 38 MET N N 15 114.121 0.104 . 1 . . . . 38 MET N . 15803 1 354 . 1 1 39 39 TYR H H 1 7.633 0.005 . 1 . . . . 39 TYR H . 15803 1 355 . 1 1 39 39 TYR HA H 1 4.953 0.009 . 1 . . . . 39 TYR HA . 15803 1 356 . 1 1 39 39 TYR HB2 H 1 2.447 0.011 . 2 . . . . 39 TYR HB2 . 15803 1 357 . 1 1 39 39 TYR HB3 H 1 3.403 0.006 . 2 . . . . 39 TYR HB3 . 15803 1 358 . 1 1 39 39 TYR HD1 H 1 6.958 0.007 . 3 . . . . 39 TYR HD1 . 15803 1 359 . 1 1 39 39 TYR HD2 H 1 6.958 0.007 . 3 . . . . 39 TYR HD2 . 15803 1 360 . 1 1 39 39 TYR HE1 H 1 6.626 0.003 . 3 . . . . 39 TYR HE1 . 15803 1 361 . 1 1 39 39 TYR HE2 H 1 6.626 0.003 . 3 . . . . 39 TYR HE2 . 15803 1 362 . 1 1 39 39 TYR C C 13 172.778 0.000 . 1 . . . . 39 TYR C . 15803 1 363 . 1 1 39 39 TYR CA C 13 56.068 0.033 . 1 . . . . 39 TYR CA . 15803 1 364 . 1 1 39 39 TYR CB C 13 41.039 0.061 . 1 . . . . 39 TYR CB . 15803 1 365 . 1 1 39 39 TYR CD1 C 13 133.542 0.061 . 3 . . . . 39 TYR CD1 . 15803 1 366 . 1 1 39 39 TYR CD2 C 13 133.542 0.061 . 3 . . . . 39 TYR CD2 . 15803 1 367 . 1 1 39 39 TYR CE1 C 13 117.252 0.051 . 3 . . . . 39 TYR CE1 . 15803 1 368 . 1 1 39 39 TYR CE2 C 13 117.252 0.051 . 3 . . . . 39 TYR CE2 . 15803 1 369 . 1 1 39 39 TYR N N 15 114.936 0.096 . 1 . . . . 39 TYR N . 15803 1 370 . 1 1 40 40 ASP H H 1 8.198 0.004 . 1 . . . . 40 ASP H . 15803 1 371 . 1 1 40 40 ASP HA H 1 4.755 0.002 . 1 . . . . 40 ASP HA . 15803 1 372 . 1 1 40 40 ASP HB2 H 1 2.859 0.008 . 2 . . . . 40 ASP HB2 . 15803 1 373 . 1 1 40 40 ASP HB3 H 1 2.845 0.010 . 2 . . . . 40 ASP HB3 . 15803 1 374 . 1 1 40 40 ASP C C 13 172.611 0.000 . 1 . . . . 40 ASP C . 15803 1 375 . 1 1 40 40 ASP CA C 13 55.749 0.050 . 1 . . . . 40 ASP CA . 15803 1 376 . 1 1 40 40 ASP CB C 13 38.991 0.090 . 1 . . . . 40 ASP CB . 15803 1 377 . 1 1 40 40 ASP N N 15 118.421 0.056 . 1 . . . . 40 ASP N . 15803 1 378 . 1 1 41 41 GLU H H 1 6.953 0.010 . 1 . . . . 41 GLU H . 15803 1 379 . 1 1 41 41 GLU HA H 1 4.490 0.009 . 1 . . . . 41 GLU HA . 15803 1 380 . 1 1 41 41 GLU HB2 H 1 1.690 0.008 . 2 . . . . 41 GLU HB2 . 15803 1 381 . 1 1 41 41 GLU HB3 H 1 1.615 0.015 . 2 . . . . 41 GLU HB3 . 15803 1 382 . 1 1 41 41 GLU HG2 H 1 1.963 0.008 . 2 . . . . 41 GLU HG2 . 15803 1 383 . 1 1 41 41 GLU HG3 H 1 2.041 0.015 . 2 . . . . 41 GLU HG3 . 15803 1 384 . 1 1 41 41 GLU C C 13 172.163 0.000 . 1 . . . . 41 GLU C . 15803 1 385 . 1 1 41 41 GLU CA C 13 54.303 0.063 . 1 . . . . 41 GLU CA . 15803 1 386 . 1 1 41 41 GLU CB C 13 33.490 0.041 . 1 . . . . 41 GLU CB . 15803 1 387 . 1 1 41 41 GLU CG C 13 35.632 0.072 . 1 . . . . 41 GLU CG . 15803 1 388 . 1 1 41 41 GLU N N 15 116.210 0.067 . 1 . . . . 41 GLU N . 15803 1 389 . 1 1 42 42 PHE H H 1 8.326 0.003 . 1 . . . . 42 PHE H . 15803 1 390 . 1 1 42 42 PHE HA H 1 4.869 0.003 . 1 . . . . 42 PHE HA . 15803 1 391 . 1 1 42 42 PHE HB2 H 1 2.679 0.008 . 2 . . . . 42 PHE HB2 . 15803 1 392 . 1 1 42 42 PHE HB3 H 1 2.918 0.010 . 2 . . . . 42 PHE HB3 . 15803 1 393 . 1 1 42 42 PHE HD1 H 1 6.922 0.008 . 3 . . . . 42 PHE HD1 . 15803 1 394 . 1 1 42 42 PHE HD2 H 1 6.922 0.008 . 3 . . . . 42 PHE HD2 . 15803 1 395 . 1 1 42 42 PHE HE1 H 1 6.361 0.012 . 3 . . . . 42 PHE HE1 . 15803 1 396 . 1 1 42 42 PHE HE2 H 1 6.361 0.012 . 3 . . . . 42 PHE HE2 . 15803 1 397 . 1 1 42 42 PHE HZ H 1 6.479 0.004 . 1 . . . . 42 PHE HZ . 15803 1 398 . 1 1 42 42 PHE C C 13 172.125 0.000 . 1 . . . . 42 PHE C . 15803 1 399 . 1 1 42 42 PHE CA C 13 55.989 0.024 . 1 . . . . 42 PHE CA . 15803 1 400 . 1 1 42 42 PHE CB C 13 40.542 0.099 . 1 . . . . 42 PHE CB . 15803 1 401 . 1 1 42 42 PHE CD1 C 13 131.906 0.034 . 3 . . . . 42 PHE CD1 . 15803 1 402 . 1 1 42 42 PHE CD2 C 13 131.906 0.034 . 3 . . . . 42 PHE CD2 . 15803 1 403 . 1 1 42 42 PHE CE1 C 13 129.719 0.036 . 3 . . . . 42 PHE CE1 . 15803 1 404 . 1 1 42 42 PHE CE2 C 13 129.719 0.036 . 3 . . . . 42 PHE CE2 . 15803 1 405 . 1 1 42 42 PHE CZ C 13 129.816 0.044 . 1 . . . . 42 PHE CZ . 15803 1 406 . 1 1 42 42 PHE N N 15 120.867 0.040 . 1 . . . . 42 PHE N . 15803 1 407 . 1 1 43 43 VAL H H 1 7.415 0.004 . 1 . . . . 43 VAL H . 15803 1 408 . 1 1 43 43 VAL HA H 1 3.911 0.004 . 1 . . . . 43 VAL HA . 15803 1 409 . 1 1 43 43 VAL HB H 1 1.739 0.003 . 1 . . . . 43 VAL HB . 15803 1 410 . 1 1 43 43 VAL HG11 H 1 0.718 0.005 . 2 . . . . 43 VAL HG11 . 15803 1 411 . 1 1 43 43 VAL HG12 H 1 0.718 0.005 . 2 . . . . 43 VAL HG12 . 15803 1 412 . 1 1 43 43 VAL HG13 H 1 0.718 0.005 . 2 . . . . 43 VAL HG13 . 15803 1 413 . 1 1 43 43 VAL HG21 H 1 0.746 0.004 . 2 . . . . 43 VAL HG21 . 15803 1 414 . 1 1 43 43 VAL HG22 H 1 0.746 0.004 . 2 . . . . 43 VAL HG22 . 15803 1 415 . 1 1 43 43 VAL HG23 H 1 0.746 0.004 . 2 . . . . 43 VAL HG23 . 15803 1 416 . 1 1 43 43 VAL C C 13 171.712 0.000 . 1 . . . . 43 VAL C . 15803 1 417 . 1 1 43 43 VAL CA C 13 60.116 0.044 . 1 . . . . 43 VAL CA . 15803 1 418 . 1 1 43 43 VAL CB C 13 33.044 0.034 . 1 . . . . 43 VAL CB . 15803 1 419 . 1 1 43 43 VAL CG1 C 13 19.972 0.124 . 2 . . . . 43 VAL CG1 . 15803 1 420 . 1 1 43 43 VAL CG2 C 13 20.757 0.048 . 2 . . . . 43 VAL CG2 . 15803 1 421 . 1 1 43 43 VAL N N 15 126.618 0.035 . 1 . . . . 43 VAL N . 15803 1 422 . 1 1 44 44 GLU H H 1 8.122 0.006 . 1 . . . . 44 GLU H . 15803 1 423 . 1 1 44 44 GLU HA H 1 3.559 0.007 . 1 . . . . 44 GLU HA . 15803 1 424 . 1 1 44 44 GLU HB2 H 1 1.920 0.002 . 2 . . . . 44 GLU HB2 . 15803 1 425 . 1 1 44 44 GLU HB3 H 1 1.703 0.005 . 2 . . . . 44 GLU HB3 . 15803 1 426 . 1 1 44 44 GLU HG2 H 1 2.102 0.003 . 2 . . . . 44 GLU HG2 . 15803 1 427 . 1 1 44 44 GLU HG3 H 1 2.185 0.015 . 2 . . . . 44 GLU HG3 . 15803 1 428 . 1 1 44 44 GLU C C 13 175.259 0.000 . 1 . . . . 44 GLU C . 15803 1 429 . 1 1 44 44 GLU CA C 13 57.714 0.091 . 1 . . . . 44 GLU CA . 15803 1 430 . 1 1 44 44 GLU CB C 13 30.649 0.033 . 1 . . . . 44 GLU CB . 15803 1 431 . 1 1 44 44 GLU CG C 13 36.786 0.047 . 1 . . . . 44 GLU CG . 15803 1 432 . 1 1 44 44 GLU N N 15 124.146 0.034 . 1 . . . . 44 GLU N . 15803 1 433 . 1 1 45 45 ASP H H 1 7.557 0.003 . 1 . . . . 45 ASP H . 15803 1 434 . 1 1 45 45 ASP HA H 1 4.492 0.007 . 1 . . . . 45 ASP HA . 15803 1 435 . 1 1 45 45 ASP HB2 H 1 2.336 0.002 . 2 . . . . 45 ASP HB2 . 15803 1 436 . 1 1 45 45 ASP HB3 H 1 2.485 0.004 . 2 . . . . 45 ASP HB3 . 15803 1 437 . 1 1 45 45 ASP C C 13 172.108 0.000 . 1 . . . . 45 ASP C . 15803 1 438 . 1 1 45 45 ASP CA C 13 53.966 0.062 . 1 . . . . 45 ASP CA . 15803 1 439 . 1 1 45 45 ASP CB C 13 41.539 0.056 . 1 . . . . 45 ASP CB . 15803 1 440 . 1 1 45 45 ASP N N 15 119.606 0.057 . 1 . . . . 45 ASP N . 15803 1 441 . 1 1 46 46 TYR H H 1 8.613 0.006 . 1 . . . . 46 TYR H . 15803 1 442 . 1 1 46 46 TYR HA H 1 4.954 0.001 . 1 . . . . 46 TYR HA . 15803 1 443 . 1 1 46 46 TYR HB2 H 1 2.830 0.001 . 2 . . . . 46 TYR HB2 . 15803 1 444 . 1 1 46 46 TYR HB3 H 1 3.044 0.020 . 2 . . . . 46 TYR HB3 . 15803 1 445 . 1 1 46 46 TYR HD1 H 1 7.085 0.004 . 3 . . . . 46 TYR HD1 . 15803 1 446 . 1 1 46 46 TYR HD2 H 1 7.085 0.004 . 3 . . . . 46 TYR HD2 . 15803 1 447 . 1 1 46 46 TYR HE1 H 1 6.869 0.005 . 3 . . . . 46 TYR HE1 . 15803 1 448 . 1 1 46 46 TYR HE2 H 1 6.869 0.005 . 3 . . . . 46 TYR HE2 . 15803 1 449 . 1 1 46 46 TYR C C 13 171.043 0.000 . 1 . . . . 46 TYR C . 15803 1 450 . 1 1 46 46 TYR CD1 C 13 132.247 0.070 . 3 . . . . 46 TYR CD1 . 15803 1 451 . 1 1 46 46 TYR CD2 C 13 132.247 0.070 . 3 . . . . 46 TYR CD2 . 15803 1 452 . 1 1 46 46 TYR CE1 C 13 117.136 0.066 . 3 . . . . 46 TYR CE1 . 15803 1 453 . 1 1 46 46 TYR CE2 C 13 117.136 0.066 . 3 . . . . 46 TYR CE2 . 15803 1 454 . 1 1 46 46 TYR N N 15 120.896 0.044 . 1 . . . . 46 TYR N . 15803 1 455 . 1 1 47 47 GLU HA H 1 4.622 0.005 . 1 . . . . 47 GLU HA . 15803 1 456 . 1 1 47 47 GLU HG2 H 1 1.978 0.002 . 1 . . . . 47 GLU HG2 . 15803 1 457 . 1 1 47 47 GLU HG3 H 1 1.978 0.002 . 1 . . . . 47 GLU HG3 . 15803 1 458 . 1 1 47 47 GLU CG C 13 35.779 0.082 . 1 . . . . 47 GLU CG . 15803 1 459 . 1 1 48 48 PRO HB2 H 1 1.781 0.004 . 2 . . . . 48 PRO HB2 . 15803 1 460 . 1 1 48 48 PRO HB3 H 1 1.781 0.005 . 2 . . . . 48 PRO HB3 . 15803 1 461 . 1 1 48 48 PRO HD2 H 1 3.028 0.006 . 2 . . . . 48 PRO HD2 . 15803 1 462 . 1 1 48 48 PRO HD3 H 1 3.433 0.008 . 2 . . . . 48 PRO HD3 . 15803 1 463 . 1 1 48 48 PRO HG2 H 1 1.829 0.007 . 2 . . . . 48 PRO HG2 . 15803 1 464 . 1 1 48 48 PRO HG3 H 1 1.435 0.007 . 2 . . . . 48 PRO HG3 . 15803 1 465 . 1 1 48 48 PRO CB C 13 32.396 0.017 . 1 . . . . 48 PRO CB . 15803 1 466 . 1 1 48 48 PRO CD C 13 51.246 0.048 . 1 . . . . 48 PRO CD . 15803 1 467 . 1 1 48 48 PRO CG C 13 26.915 0.101 . 1 . . . . 48 PRO CG . 15803 1 468 . 1 1 49 49 THR HB H 1 3.969 0.005 . 1 . . . . 49 THR HB . 15803 1 469 . 1 1 49 49 THR HG21 H 1 0.743 0.002 . 1 . . . . 49 THR HG21 . 15803 1 470 . 1 1 49 49 THR HG22 H 1 0.743 0.002 . 1 . . . . 49 THR HG22 . 15803 1 471 . 1 1 49 49 THR HG23 H 1 0.743 0.002 . 1 . . . . 49 THR HG23 . 15803 1 472 . 1 1 49 49 THR CB C 13 69.724 0.030 . 1 . . . . 49 THR CB . 15803 1 473 . 1 1 49 49 THR CG2 C 13 20.131 0.008 . 1 . . . . 49 THR CG2 . 15803 1 474 . 1 1 50 50 LYS H H 1 8.534 0.006 . 1 . . . . 50 LYS H . 15803 1 475 . 1 1 50 50 LYS HA H 1 4.066 0.003 . 1 . . . . 50 LYS HA . 15803 1 476 . 1 1 50 50 LYS HB2 H 1 1.416 0.007 . 2 . . . . 50 LYS HB2 . 15803 1 477 . 1 1 50 50 LYS HB3 H 1 1.615 0.008 . 2 . . . . 50 LYS HB3 . 15803 1 478 . 1 1 50 50 LYS HE2 H 1 2.772 0.004 . 2 . . . . 50 LYS HE2 . 15803 1 479 . 1 1 50 50 LYS HE3 H 1 2.772 0.005 . 2 . . . . 50 LYS HE3 . 15803 1 480 . 1 1 50 50 LYS HG2 H 1 0.788 0.008 . 2 . . . . 50 LYS HG2 . 15803 1 481 . 1 1 50 50 LYS HG3 H 1 0.970 0.008 . 2 . . . . 50 LYS HG3 . 15803 1 482 . 1 1 50 50 LYS CA C 13 58.836 0.095 . 1 . . . . 50 LYS CA . 15803 1 483 . 1 1 50 50 LYS CB C 13 32.238 0.096 . 1 . . . . 50 LYS CB . 15803 1 484 . 1 1 50 50 LYS CE C 13 41.967 0.062 . 1 . . . . 50 LYS CE . 15803 1 485 . 1 1 50 50 LYS CG C 13 24.738 0.033 . 1 . . . . 50 LYS CG . 15803 1 486 . 1 1 50 50 LYS N N 15 126.208 0.122 . 1 . . . . 50 LYS N . 15803 1 487 . 1 1 51 51 ALA H H 1 6.926 0.004 . 1 . . . . 51 ALA H . 15803 1 488 . 1 1 51 51 ALA HA H 1 4.245 0.002 . 1 . . . . 51 ALA HA . 15803 1 489 . 1 1 51 51 ALA HB1 H 1 1.001 0.004 . 1 . . . . 51 ALA HB1 . 15803 1 490 . 1 1 51 51 ALA HB2 H 1 1.001 0.004 . 1 . . . . 51 ALA HB2 . 15803 1 491 . 1 1 51 51 ALA HB3 H 1 1.001 0.004 . 1 . . . . 51 ALA HB3 . 15803 1 492 . 1 1 51 51 ALA CA C 13 52.637 0.044 . 1 . . . . 51 ALA CA . 15803 1 493 . 1 1 51 51 ALA CB C 13 21.526 0.047 . 1 . . . . 51 ALA CB . 15803 1 494 . 1 1 51 51 ALA N N 15 115.121 0.055 . 1 . . . . 51 ALA N . 15803 1 495 . 1 1 52 52 ASP H H 1 8.251 0.001 . 1 . . . . 52 ASP H . 15803 1 496 . 1 1 52 52 ASP N N 15 117.368 0.010 . 1 . . . . 52 ASP N . 15803 1 497 . 1 1 54 54 TYR HA H 1 4.686 0.000 . 1 . . . . 54 TYR HA . 15803 1 498 . 1 1 54 54 TYR HB2 H 1 2.493 0.000 . 2 . . . . 54 TYR HB2 . 15803 1 499 . 1 1 54 54 TYR HB3 H 1 3.218 0.000 . 2 . . . . 54 TYR HB3 . 15803 1 500 . 1 1 55 55 ARG H H 1 8.812 0.007 . 1 . . . . 55 ARG H . 15803 1 501 . 1 1 55 55 ARG HA H 1 5.921 0.008 . 1 . . . . 55 ARG HA . 15803 1 502 . 1 1 55 55 ARG HB2 H 1 1.448 0.005 . 2 . . . . 55 ARG HB2 . 15803 1 503 . 1 1 55 55 ARG HB3 H 1 1.652 0.000 . 2 . . . . 55 ARG HB3 . 15803 1 504 . 1 1 55 55 ARG HD2 H 1 3.285 0.007 . 1 . . . . 55 ARG HD2 . 15803 1 505 . 1 1 55 55 ARG HD3 H 1 3.285 0.007 . 1 . . . . 55 ARG HD3 . 15803 1 506 . 1 1 55 55 ARG HG2 H 1 1.376 0.012 . 1 . . . . 55 ARG HG2 . 15803 1 507 . 1 1 55 55 ARG CA C 13 55.540 0.021 . 1 . . . . 55 ARG CA . 15803 1 508 . 1 1 55 55 ARG CB C 13 32.540 0.002 . 1 . . . . 55 ARG CB . 15803 1 509 . 1 1 55 55 ARG CG C 13 26.465 0.111 . 1 . . . . 55 ARG CG . 15803 1 510 . 1 1 55 55 ARG N N 15 124.232 0.074 . 1 . . . . 55 ARG N . 15803 1 511 . 1 1 56 56 LYS H H 1 9.046 0.003 . 1 . . . . 56 LYS H . 15803 1 512 . 1 1 56 56 LYS HA H 1 4.546 0.003 . 1 . . . . 56 LYS HA . 15803 1 513 . 1 1 56 56 LYS HB2 H 1 1.587 0.011 . 1 . . . . 56 LYS HB2 . 15803 1 514 . 1 1 56 56 LYS HB3 H 1 1.587 0.011 . 1 . . . . 56 LYS HB3 . 15803 1 515 . 1 1 56 56 LYS HD2 H 1 1.261 0.006 . 2 . . . . 56 LYS HD2 . 15803 1 516 . 1 1 56 56 LYS HD3 H 1 0.890 0.012 . 2 . . . . 56 LYS HD3 . 15803 1 517 . 1 1 56 56 LYS HE2 H 1 2.420 0.003 . 2 . . . . 56 LYS HE2 . 15803 1 518 . 1 1 56 56 LYS HE3 H 1 2.626 0.004 . 2 . . . . 56 LYS HE3 . 15803 1 519 . 1 1 56 56 LYS HG2 H 1 1.254 0.010 . 2 . . . . 56 LYS HG2 . 15803 1 520 . 1 1 56 56 LYS HG3 H 1 1.191 0.013 . 2 . . . . 56 LYS HG3 . 15803 1 521 . 1 1 56 56 LYS C C 13 171.413 0.000 . 1 . . . . 56 LYS C . 15803 1 522 . 1 1 56 56 LYS CA C 13 55.277 0.083 . 1 . . . . 56 LYS CA . 15803 1 523 . 1 1 56 56 LYS CB C 13 38.317 0.078 . 1 . . . . 56 LYS CB . 15803 1 524 . 1 1 56 56 LYS CD C 13 30.458 0.068 . 1 . . . . 56 LYS CD . 15803 1 525 . 1 1 56 56 LYS CE C 13 42.035 0.039 . 1 . . . . 56 LYS CE . 15803 1 526 . 1 1 56 56 LYS CG C 13 25.112 0.119 . 1 . . . . 56 LYS CG . 15803 1 527 . 1 1 56 56 LYS N N 15 127.212 0.049 . 1 . . . . 56 LYS N . 15803 1 528 . 1 1 57 57 LYS H H 1 8.344 0.007 . 1 . . . . 57 LYS H . 15803 1 529 . 1 1 57 57 LYS HA H 1 4.974 0.007 . 1 . . . . 57 LYS HA . 15803 1 530 . 1 1 57 57 LYS HB2 H 1 1.696 0.009 . 2 . . . . 57 LYS HB2 . 15803 1 531 . 1 1 57 57 LYS HB3 H 1 1.593 0.006 . 2 . . . . 57 LYS HB3 . 15803 1 532 . 1 1 57 57 LYS HD2 H 1 1.508 0.005 . 2 . . . . 57 LYS HD2 . 15803 1 533 . 1 1 57 57 LYS HD3 H 1 1.508 0.005 . 2 . . . . 57 LYS HD3 . 15803 1 534 . 1 1 57 57 LYS HE2 H 1 2.764 0.004 . 1 . . . . 57 LYS HE2 . 15803 1 535 . 1 1 57 57 LYS HE3 H 1 2.764 0.004 . 1 . . . . 57 LYS HE3 . 15803 1 536 . 1 1 57 57 LYS HG2 H 1 1.183 0.010 . 2 . . . . 57 LYS HG2 . 15803 1 537 . 1 1 57 57 LYS HG3 H 1 1.335 0.011 . 2 . . . . 57 LYS HG3 . 15803 1 538 . 1 1 57 57 LYS C C 13 173.681 0.000 . 1 . . . . 57 LYS C . 15803 1 539 . 1 1 57 57 LYS CA C 13 55.960 0.051 . 1 . . . . 57 LYS CA . 15803 1 540 . 1 1 57 57 LYS CB C 13 33.120 0.023 . 1 . . . . 57 LYS CB . 15803 1 541 . 1 1 57 57 LYS CD C 13 29.332 0.037 . 1 . . . . 57 LYS CD . 15803 1 542 . 1 1 57 57 LYS CE C 13 41.817 0.032 . 1 . . . . 57 LYS CE . 15803 1 543 . 1 1 57 57 LYS CG C 13 25.028 0.037 . 1 . . . . 57 LYS CG . 15803 1 544 . 1 1 57 57 LYS N N 15 124.634 0.068 . 1 . . . . 57 LYS N . 15803 1 545 . 1 1 58 58 VAL H H 1 8.911 0.008 . 1 . . . . 58 VAL H . 15803 1 546 . 1 1 58 58 VAL HA H 1 4.612 0.005 . 1 . . . . 58 VAL HA . 15803 1 547 . 1 1 58 58 VAL HB H 1 2.120 0.004 . 1 . . . . 58 VAL HB . 15803 1 548 . 1 1 58 58 VAL HG11 H 1 0.734 0.003 . 2 . . . . 58 VAL HG11 . 15803 1 549 . 1 1 58 58 VAL HG12 H 1 0.734 0.003 . 2 . . . . 58 VAL HG12 . 15803 1 550 . 1 1 58 58 VAL HG13 H 1 0.734 0.003 . 2 . . . . 58 VAL HG13 . 15803 1 551 . 1 1 58 58 VAL HG21 H 1 0.551 0.003 . 2 . . . . 58 VAL HG21 . 15803 1 552 . 1 1 58 58 VAL HG22 H 1 0.551 0.003 . 2 . . . . 58 VAL HG22 . 15803 1 553 . 1 1 58 58 VAL HG23 H 1 0.551 0.003 . 2 . . . . 58 VAL HG23 . 15803 1 554 . 1 1 58 58 VAL C C 13 170.970 0.000 . 1 . . . . 58 VAL C . 15803 1 555 . 1 1 58 58 VAL CA C 13 59.093 0.008 . 1 . . . . 58 VAL CA . 15803 1 556 . 1 1 58 58 VAL CB C 13 36.067 0.048 . 1 . . . . 58 VAL CB . 15803 1 557 . 1 1 58 58 VAL CG1 C 13 22.371 0.043 . 2 . . . . 58 VAL CG1 . 15803 1 558 . 1 1 58 58 VAL CG2 C 13 19.509 0.027 . 2 . . . . 58 VAL CG2 . 15803 1 559 . 1 1 58 58 VAL N N 15 119.051 0.047 . 1 . . . . 58 VAL N . 15803 1 560 . 1 1 59 59 VAL H H 1 8.239 0.004 . 1 . . . . 59 VAL H . 15803 1 561 . 1 1 59 59 VAL HA H 1 4.398 0.006 . 1 . . . . 59 VAL HA . 15803 1 562 . 1 1 59 59 VAL HB H 1 1.832 0.004 . 1 . . . . 59 VAL HB . 15803 1 563 . 1 1 59 59 VAL HG11 H 1 0.590 0.003 . 2 . . . . 59 VAL HG11 . 15803 1 564 . 1 1 59 59 VAL HG12 H 1 0.590 0.003 . 2 . . . . 59 VAL HG12 . 15803 1 565 . 1 1 59 59 VAL HG13 H 1 0.590 0.003 . 2 . . . . 59 VAL HG13 . 15803 1 566 . 1 1 59 59 VAL HG21 H 1 0.776 0.004 . 2 . . . . 59 VAL HG21 . 15803 1 567 . 1 1 59 59 VAL HG22 H 1 0.776 0.004 . 2 . . . . 59 VAL HG22 . 15803 1 568 . 1 1 59 59 VAL HG23 H 1 0.776 0.004 . 2 . . . . 59 VAL HG23 . 15803 1 569 . 1 1 59 59 VAL C C 13 172.383 0.000 . 1 . . . . 59 VAL C . 15803 1 570 . 1 1 59 59 VAL CA C 13 61.922 0.046 . 1 . . . . 59 VAL CA . 15803 1 571 . 1 1 59 59 VAL CB C 13 31.353 0.024 . 1 . . . . 59 VAL CB . 15803 1 572 . 1 1 59 59 VAL CG1 C 13 21.226 0.039 . 2 . . . . 59 VAL CG1 . 15803 1 573 . 1 1 59 59 VAL CG2 C 13 21.314 0.046 . 2 . . . . 59 VAL CG2 . 15803 1 574 . 1 1 59 59 VAL N N 15 120.879 0.052 . 1 . . . . 59 VAL N . 15803 1 575 . 1 1 60 60 LEU H H 1 9.062 0.006 . 1 . . . . 60 LEU H . 15803 1 576 . 1 1 60 60 LEU HA H 1 4.534 0.006 . 1 . . . . 60 LEU HA . 15803 1 577 . 1 1 60 60 LEU HB2 H 1 0.775 0.006 . 2 . . . . 60 LEU HB2 . 15803 1 578 . 1 1 60 60 LEU HB3 H 1 1.885 0.007 . 2 . . . . 60 LEU HB3 . 15803 1 579 . 1 1 60 60 LEU HD11 H 1 0.780 0.004 . 2 . . . . 60 LEU HD11 . 15803 1 580 . 1 1 60 60 LEU HD12 H 1 0.780 0.004 . 2 . . . . 60 LEU HD12 . 15803 1 581 . 1 1 60 60 LEU HD13 H 1 0.780 0.004 . 2 . . . . 60 LEU HD13 . 15803 1 582 . 1 1 60 60 LEU HD21 H 1 0.782 0.004 . 2 . . . . 60 LEU HD21 . 15803 1 583 . 1 1 60 60 LEU HD22 H 1 0.782 0.004 . 2 . . . . 60 LEU HD22 . 15803 1 584 . 1 1 60 60 LEU HD23 H 1 0.782 0.004 . 2 . . . . 60 LEU HD23 . 15803 1 585 . 1 1 60 60 LEU HG H 1 1.236 0.004 . 1 . . . . 60 LEU HG . 15803 1 586 . 1 1 60 60 LEU C C 13 173.233 0.000 . 1 . . . . 60 LEU C . 15803 1 587 . 1 1 60 60 LEU CA C 13 52.934 0.002 . 1 . . . . 60 LEU CA . 15803 1 588 . 1 1 60 60 LEU CB C 13 44.813 0.031 . 1 . . . . 60 LEU CB . 15803 1 589 . 1 1 60 60 LEU CD1 C 13 26.716 0.037 . 2 . . . . 60 LEU CD1 . 15803 1 590 . 1 1 60 60 LEU CD2 C 13 23.870 0.054 . 2 . . . . 60 LEU CD2 . 15803 1 591 . 1 1 60 60 LEU CG C 13 27.463 0.000 . 1 . . . . 60 LEU CG . 15803 1 592 . 1 1 60 60 LEU N N 15 129.467 0.056 . 1 . . . . 60 LEU N . 15803 1 593 . 1 1 61 61 ASP H H 1 9.562 0.006 . 1 . . . . 61 ASP H . 15803 1 594 . 1 1 61 61 ASP HA H 1 4.182 0.004 . 1 . . . . 61 ASP HA . 15803 1 595 . 1 1 61 61 ASP HB2 H 1 2.784 0.007 . 2 . . . . 61 ASP HB2 . 15803 1 596 . 1 1 61 61 ASP HB3 H 1 2.577 0.002 . 2 . . . . 61 ASP HB3 . 15803 1 597 . 1 1 61 61 ASP C C 13 173.825 0.000 . 1 . . . . 61 ASP C . 15803 1 598 . 1 1 61 61 ASP CA C 13 55.577 0.028 . 1 . . . . 61 ASP CA . 15803 1 599 . 1 1 61 61 ASP CB C 13 39.695 0.094 . 1 . . . . 61 ASP CB . 15803 1 600 . 1 1 61 61 ASP N N 15 129.552 0.076 . 1 . . . . 61 ASP N . 15803 1 601 . 1 1 62 62 GLY H H 1 7.975 0.003 . 1 . . . . 62 GLY H . 15803 1 602 . 1 1 62 62 GLY HA2 H 1 4.107 0.007 . 2 . . . . 62 GLY HA2 . 15803 1 603 . 1 1 62 62 GLY HA3 H 1 3.372 0.004 . 2 . . . . 62 GLY HA3 . 15803 1 604 . 1 1 62 62 GLY C C 13 170.954 0.000 . 1 . . . . 62 GLY C . 15803 1 605 . 1 1 62 62 GLY CA C 13 45.210 0.039 . 1 . . . . 62 GLY CA . 15803 1 606 . 1 1 62 62 GLY N N 15 102.199 0.070 . 1 . . . . 62 GLY N . 15803 1 607 . 1 1 63 63 GLU H H 1 7.523 0.005 . 1 . . . . 63 GLU H . 15803 1 608 . 1 1 63 63 GLU HA H 1 4.536 0.005 . 1 . . . . 63 GLU HA . 15803 1 609 . 1 1 63 63 GLU HB2 H 1 1.934 0.004 . 2 . . . . 63 GLU HB2 . 15803 1 610 . 1 1 63 63 GLU HB3 H 1 1.776 0.003 . 2 . . . . 63 GLU HB3 . 15803 1 611 . 1 1 63 63 GLU HG2 H 1 2.053 0.022 . 2 . . . . 63 GLU HG2 . 15803 1 612 . 1 1 63 63 GLU HG3 H 1 2.146 0.031 . 2 . . . . 63 GLU HG3 . 15803 1 613 . 1 1 63 63 GLU C C 13 172.294 0.000 . 1 . . . . 63 GLU C . 15803 1 614 . 1 1 63 63 GLU CA C 13 54.186 0.022 . 1 . . . . 63 GLU CA . 15803 1 615 . 1 1 63 63 GLU CB C 13 32.232 0.046 . 1 . . . . 63 GLU CB . 15803 1 616 . 1 1 63 63 GLU CG C 13 35.897 0.099 . 1 . . . . 63 GLU CG . 15803 1 617 . 1 1 63 63 GLU N N 15 120.419 0.052 . 1 . . . . 63 GLU N . 15803 1 618 . 1 1 64 64 GLU H H 1 8.723 0.004 . 1 . . . . 64 GLU H . 15803 1 619 . 1 1 64 64 GLU HA H 1 4.563 0.005 . 1 . . . . 64 GLU HA . 15803 1 620 . 1 1 64 64 GLU HB2 H 1 1.936 0.009 . 2 . . . . 64 GLU HB2 . 15803 1 621 . 1 1 64 64 GLU HB3 H 1 1.847 0.020 . 2 . . . . 64 GLU HB3 . 15803 1 622 . 1 1 64 64 GLU HG2 H 1 1.933 0.007 . 2 . . . . 64 GLU HG2 . 15803 1 623 . 1 1 64 64 GLU HG3 H 1 2.147 0.005 . 2 . . . . 64 GLU HG3 . 15803 1 624 . 1 1 64 64 GLU C C 13 173.267 0.000 . 1 . . . . 64 GLU C . 15803 1 625 . 1 1 64 64 GLU CA C 13 57.180 0.026 . 1 . . . . 64 GLU CA . 15803 1 626 . 1 1 64 64 GLU CB C 13 30.169 0.033 . 1 . . . . 64 GLU CB . 15803 1 627 . 1 1 64 64 GLU CG C 13 37.329 0.083 . 1 . . . . 64 GLU CG . 15803 1 628 . 1 1 64 64 GLU N N 15 125.093 0.043 . 1 . . . . 64 GLU N . 15803 1 629 . 1 1 65 65 VAL H H 1 9.025 0.006 . 1 . . . . 65 VAL H . 15803 1 630 . 1 1 65 65 VAL HA H 1 4.627 0.012 . 1 . . . . 65 VAL HA . 15803 1 631 . 1 1 65 65 VAL HB H 1 1.824 0.007 . 1 . . . . 65 VAL HB . 15803 1 632 . 1 1 65 65 VAL HG11 H 1 0.651 0.003 . 2 . . . . 65 VAL HG11 . 15803 1 633 . 1 1 65 65 VAL HG12 H 1 0.651 0.003 . 2 . . . . 65 VAL HG12 . 15803 1 634 . 1 1 65 65 VAL HG13 H 1 0.651 0.003 . 2 . . . . 65 VAL HG13 . 15803 1 635 . 1 1 65 65 VAL HG21 H 1 0.850 0.003 . 2 . . . . 65 VAL HG21 . 15803 1 636 . 1 1 65 65 VAL HG22 H 1 0.850 0.003 . 2 . . . . 65 VAL HG22 . 15803 1 637 . 1 1 65 65 VAL HG23 H 1 0.850 0.003 . 2 . . . . 65 VAL HG23 . 15803 1 638 . 1 1 65 65 VAL C C 13 171.335 0.000 . 1 . . . . 65 VAL C . 15803 1 639 . 1 1 65 65 VAL CA C 13 59.207 0.030 . 1 . . . . 65 VAL CA . 15803 1 640 . 1 1 65 65 VAL CB C 13 35.862 0.091 . 1 . . . . 65 VAL CB . 15803 1 641 . 1 1 65 65 VAL CG1 C 13 20.458 0.088 . 2 . . . . 65 VAL CG1 . 15803 1 642 . 1 1 65 65 VAL CG2 C 13 21.990 0.074 . 2 . . . . 65 VAL CG2 . 15803 1 643 . 1 1 65 65 VAL N N 15 121.734 0.072 . 1 . . . . 65 VAL N . 15803 1 644 . 1 1 66 66 GLN H H 1 8.172 0.007 . 1 . . . . 66 GLN H . 15803 1 645 . 1 1 66 66 GLN HA H 1 5.239 0.005 . 1 . . . . 66 GLN HA . 15803 1 646 . 1 1 66 66 GLN HB2 H 1 1.818 0.005 . 2 . . . . 66 GLN HB2 . 15803 1 647 . 1 1 66 66 GLN HB3 H 1 1.590 0.006 . 2 . . . . 66 GLN HB3 . 15803 1 648 . 1 1 66 66 GLN HE21 H 1 6.577 0.003 . 1 . . . . 66 GLN HE21 . 15803 1 649 . 1 1 66 66 GLN HE22 H 1 7.224 0.005 . 1 . . . . 66 GLN HE22 . 15803 1 650 . 1 1 66 66 GLN HG2 H 1 1.833 0.010 . 2 . . . . 66 GLN HG2 . 15803 1 651 . 1 1 66 66 GLN HG3 H 1 2.270 0.010 . 2 . . . . 66 GLN HG3 . 15803 1 652 . 1 1 66 66 GLN C C 13 171.033 0.000 . 1 . . . . 66 GLN C . 15803 1 653 . 1 1 66 66 GLN CA C 13 54.346 0.042 . 1 . . . . 66 GLN CA . 15803 1 654 . 1 1 66 66 GLN CB C 13 33.238 0.057 . 1 . . . . 66 GLN CB . 15803 1 655 . 1 1 66 66 GLN CG C 13 35.895 0.065 . 1 . . . . 66 GLN CG . 15803 1 656 . 1 1 66 66 GLN N N 15 117.357 0.038 . 1 . . . . 66 GLN N . 15803 1 657 . 1 1 66 66 GLN NE2 N 15 108.824 0.035 . 1 . . . . 66 GLN NE2 . 15803 1 658 . 1 1 67 67 ILE H H 1 9.047 0.007 . 1 . . . . 67 ILE H . 15803 1 659 . 1 1 67 67 ILE HA H 1 5.153 0.015 . 1 . . . . 67 ILE HA . 15803 1 660 . 1 1 67 67 ILE HB H 1 1.994 0.005 . 1 . . . . 67 ILE HB . 15803 1 661 . 1 1 67 67 ILE HD11 H 1 0.742 0.005 . 1 . . . . 67 ILE HD11 . 15803 1 662 . 1 1 67 67 ILE HD12 H 1 0.742 0.005 . 1 . . . . 67 ILE HD12 . 15803 1 663 . 1 1 67 67 ILE HD13 H 1 0.742 0.005 . 1 . . . . 67 ILE HD13 . 15803 1 664 . 1 1 67 67 ILE HG12 H 1 1.608 0.017 . 2 . . . . 67 ILE HG12 . 15803 1 665 . 1 1 67 67 ILE HG13 H 1 0.946 0.009 . 2 . . . . 67 ILE HG13 . 15803 1 666 . 1 1 67 67 ILE HG21 H 1 0.996 0.006 . 1 . . . . 67 ILE HG21 . 15803 1 667 . 1 1 67 67 ILE HG22 H 1 0.996 0.006 . 1 . . . . 67 ILE HG22 . 15803 1 668 . 1 1 67 67 ILE HG23 H 1 0.996 0.006 . 1 . . . . 67 ILE HG23 . 15803 1 669 . 1 1 67 67 ILE CA C 13 57.370 0.104 . 1 . . . . 67 ILE CA . 15803 1 670 . 1 1 67 67 ILE CB C 13 40.585 0.053 . 1 . . . . 67 ILE CB . 15803 1 671 . 1 1 67 67 ILE CD1 C 13 13.862 0.043 . 1 . . . . 67 ILE CD1 . 15803 1 672 . 1 1 67 67 ILE CG1 C 13 29.041 0.045 . 1 . . . . 67 ILE CG1 . 15803 1 673 . 1 1 67 67 ILE CG2 C 13 15.550 0.045 . 1 . . . . 67 ILE CG2 . 15803 1 674 . 1 1 67 67 ILE N N 15 120.983 0.076 . 1 . . . . 67 ILE N . 15803 1 675 . 1 1 68 68 ASP H H 1 8.661 0.006 . 1 . . . . 68 ASP H . 15803 1 676 . 1 1 68 68 ASP HA H 1 5.978 0.004 . 1 . . . . 68 ASP HA . 15803 1 677 . 1 1 68 68 ASP HB2 H 1 2.867 0.003 . 2 . . . . 68 ASP HB2 . 15803 1 678 . 1 1 68 68 ASP HB3 H 1 2.205 0.007 . 2 . . . . 68 ASP HB3 . 15803 1 679 . 1 1 68 68 ASP CA C 13 52.186 0.015 . 1 . . . . 68 ASP CA . 15803 1 680 . 1 1 68 68 ASP CB C 13 43.863 0.001 . 1 . . . . 68 ASP CB . 15803 1 681 . 1 1 68 68 ASP N N 15 128.462 0.073 . 1 . . . . 68 ASP N . 15803 1 682 . 1 1 69 69 ILE H H 1 9.082 0.004 . 1 . . . . 69 ILE H . 15803 1 683 . 1 1 69 69 ILE HA H 1 5.184 0.011 . 1 . . . . 69 ILE HA . 15803 1 684 . 1 1 69 69 ILE HB H 1 1.526 0.012 . 1 . . . . 69 ILE HB . 15803 1 685 . 1 1 69 69 ILE HD11 H 1 0.528 0.003 . 1 . . . . 69 ILE HD11 . 15803 1 686 . 1 1 69 69 ILE HD12 H 1 0.528 0.003 . 1 . . . . 69 ILE HD12 . 15803 1 687 . 1 1 69 69 ILE HD13 H 1 0.528 0.003 . 1 . . . . 69 ILE HD13 . 15803 1 688 . 1 1 69 69 ILE HG12 H 1 1.645 0.008 . 1 . . . . 69 ILE HG12 . 15803 1 689 . 1 1 69 69 ILE HG13 H 1 1.645 0.008 . 1 . . . . 69 ILE HG13 . 15803 1 690 . 1 1 69 69 ILE HG21 H 1 0.836 0.003 . 1 . . . . 69 ILE HG21 . 15803 1 691 . 1 1 69 69 ILE HG22 H 1 0.836 0.003 . 1 . . . . 69 ILE HG22 . 15803 1 692 . 1 1 69 69 ILE HG23 H 1 0.836 0.003 . 1 . . . . 69 ILE HG23 . 15803 1 693 . 1 1 69 69 ILE CA C 13 59.715 0.126 . 1 . . . . 69 ILE CA . 15803 1 694 . 1 1 69 69 ILE CB C 13 42.538 0.064 . 1 . . . . 69 ILE CB . 15803 1 695 . 1 1 69 69 ILE CD1 C 13 15.669 0.134 . 1 . . . . 69 ILE CD1 . 15803 1 696 . 1 1 69 69 ILE CG1 C 13 27.759 0.013 . 1 . . . . 69 ILE CG1 . 15803 1 697 . 1 1 69 69 ILE CG2 C 13 18.694 0.093 . 1 . . . . 69 ILE CG2 . 15803 1 698 . 1 1 69 69 ILE N N 15 120.916 0.036 . 1 . . . . 69 ILE N . 15803 1 699 . 1 1 70 70 LEU H H 1 9.286 0.005 . 1 . . . . 70 LEU H . 15803 1 700 . 1 1 70 70 LEU HA H 1 4.588 0.024 . 1 . . . . 70 LEU HA . 15803 1 701 . 1 1 70 70 LEU HB2 H 1 1.376 0.009 . 1 . . . . 70 LEU HB2 . 15803 1 702 . 1 1 70 70 LEU HB3 H 1 1.376 0.009 . 1 . . . . 70 LEU HB3 . 15803 1 703 . 1 1 70 70 LEU HD11 H 1 -0.299 0.004 . 2 . . . . 70 LEU HD11 . 15803 1 704 . 1 1 70 70 LEU HD12 H 1 -0.299 0.004 . 2 . . . . 70 LEU HD12 . 15803 1 705 . 1 1 70 70 LEU HD13 H 1 -0.299 0.004 . 2 . . . . 70 LEU HD13 . 15803 1 706 . 1 1 70 70 LEU HD21 H 1 -0.277 0.008 . 2 . . . . 70 LEU HD21 . 15803 1 707 . 1 1 70 70 LEU HD22 H 1 -0.277 0.008 . 2 . . . . 70 LEU HD22 . 15803 1 708 . 1 1 70 70 LEU HD23 H 1 -0.277 0.008 . 2 . . . . 70 LEU HD23 . 15803 1 709 . 1 1 70 70 LEU HG H 1 0.367 0.003 . 1 . . . . 70 LEU HG . 15803 1 710 . 1 1 70 70 LEU CB C 13 42.078 0.013 . 1 . . . . 70 LEU CB . 15803 1 711 . 1 1 70 70 LEU CD1 C 13 22.003 0.040 . 2 . . . . 70 LEU CD1 . 15803 1 712 . 1 1 70 70 LEU CD2 C 13 23.555 0.102 . 2 . . . . 70 LEU CD2 . 15803 1 713 . 1 1 70 70 LEU CG C 13 26.979 0.039 . 1 . . . . 70 LEU CG . 15803 1 714 . 1 1 70 70 LEU N N 15 132.305 0.030 . 1 . . . . 70 LEU N . 15803 1 715 . 1 1 71 71 ASP H H 1 9.001 0.002 . 1 . . . . 71 ASP H . 15803 1 716 . 1 1 71 71 ASP HA H 1 4.627 0.017 . 1 . . . . 71 ASP HA . 15803 1 717 . 1 1 71 71 ASP HB2 H 1 2.390 0.005 . 2 . . . . 71 ASP HB2 . 15803 1 718 . 1 1 71 71 ASP HB3 H 1 2.340 0.003 . 2 . . . . 71 ASP HB3 . 15803 1 719 . 1 1 71 71 ASP CA C 13 53.532 0.000 . 1 . . . . 71 ASP CA . 15803 1 720 . 1 1 71 71 ASP CB C 13 42.695 0.084 . 1 . . . . 71 ASP CB . 15803 1 721 . 1 1 71 71 ASP N N 15 127.665 0.063 . 1 . . . . 71 ASP N . 15803 1 722 . 1 1 72 72 THR H H 1 6.538 0.003 . 1 . . . . 72 THR H . 15803 1 723 . 1 1 72 72 THR HA H 1 4.405 0.015 . 1 . . . . 72 THR HA . 15803 1 724 . 1 1 72 72 THR HB H 1 4.303 0.008 . 1 . . . . 72 THR HB . 15803 1 725 . 1 1 72 72 THR HG1 H 1 5.822 0.003 . 1 . . . . 72 THR HG1 . 15803 1 726 . 1 1 72 72 THR HG21 H 1 1.052 0.004 . 1 . . . . 72 THR HG21 . 15803 1 727 . 1 1 72 72 THR HG22 H 1 1.052 0.004 . 1 . . . . 72 THR HG22 . 15803 1 728 . 1 1 72 72 THR HG23 H 1 1.052 0.004 . 1 . . . . 72 THR HG23 . 15803 1 729 . 1 1 72 72 THR CA C 13 60.064 0.076 . 1 . . . . 72 THR CA . 15803 1 730 . 1 1 72 72 THR CB C 13 72.696 0.050 . 1 . . . . 72 THR CB . 15803 1 731 . 1 1 72 72 THR CG2 C 13 22.375 0.109 . 1 . . . . 72 THR CG2 . 15803 1 732 . 1 1 72 72 THR N N 15 110.661 0.046 . 1 . . . . 72 THR N . 15803 1 733 . 1 1 73 73 ALA H H 1 7.751 0.007 . 1 . . . . 73 ALA H . 15803 1 734 . 1 1 73 73 ALA HA H 1 4.230 0.005 . 1 . . . . 73 ALA HA . 15803 1 735 . 1 1 73 73 ALA HB1 H 1 1.604 0.004 . 1 . . . . 73 ALA HB1 . 15803 1 736 . 1 1 73 73 ALA HB2 H 1 1.604 0.004 . 1 . . . . 73 ALA HB2 . 15803 1 737 . 1 1 73 73 ALA HB3 H 1 1.604 0.004 . 1 . . . . 73 ALA HB3 . 15803 1 738 . 1 1 73 73 ALA CA C 13 52.508 0.001 . 1 . . . . 73 ALA CA . 15803 1 739 . 1 1 73 73 ALA CB C 13 22.181 0.082 . 1 . . . . 73 ALA CB . 15803 1 740 . 1 1 73 73 ALA N N 15 120.068 0.009 . 1 . . . . 73 ALA N . 15803 1 741 . 1 1 74 74 GLY H H 1 9.336 0.007 . 1 . . . . 74 GLY H . 15803 1 742 . 1 1 74 74 GLY HA2 H 1 3.603 0.001 . 2 . . . . 74 GLY HA2 . 15803 1 743 . 1 1 74 74 GLY HA3 H 1 3.614 0.005 . 2 . . . . 74 GLY HA3 . 15803 1 744 . 1 1 74 74 GLY CA C 13 46.722 0.069 . 1 . . . . 74 GLY CA . 15803 1 745 . 1 1 74 74 GLY N N 15 113.164 0.056 . 1 . . . . 74 GLY N . 15803 1 746 . 1 1 75 75 LEU H H 1 7.980 0.005 . 1 . . . . 75 LEU H . 15803 1 747 . 1 1 75 75 LEU HA H 1 4.447 0.008 . 1 . . . . 75 LEU HA . 15803 1 748 . 1 1 75 75 LEU HB2 H 1 1.731 0.011 . 2 . . . . 75 LEU HB2 . 15803 1 749 . 1 1 75 75 LEU HB3 H 1 1.622 0.016 . 2 . . . . 75 LEU HB3 . 15803 1 750 . 1 1 75 75 LEU HD11 H 1 0.912 0.008 . 2 . . . . 75 LEU HD11 . 15803 1 751 . 1 1 75 75 LEU HD12 H 1 0.912 0.008 . 2 . . . . 75 LEU HD12 . 15803 1 752 . 1 1 75 75 LEU HD13 H 1 0.912 0.008 . 2 . . . . 75 LEU HD13 . 15803 1 753 . 1 1 75 75 LEU HD21 H 1 0.867 0.005 . 2 . . . . 75 LEU HD21 . 15803 1 754 . 1 1 75 75 LEU HD22 H 1 0.867 0.005 . 2 . . . . 75 LEU HD22 . 15803 1 755 . 1 1 75 75 LEU HD23 H 1 0.867 0.005 . 2 . . . . 75 LEU HD23 . 15803 1 756 . 1 1 75 75 LEU HG H 1 1.703 0.005 . 1 . . . . 75 LEU HG . 15803 1 757 . 1 1 75 75 LEU C C 13 172.253 0.000 . 1 . . . . 75 LEU C . 15803 1 758 . 1 1 75 75 LEU CA C 13 55.247 0.018 . 1 . . . . 75 LEU CA . 15803 1 759 . 1 1 75 75 LEU CB C 13 42.654 0.068 . 1 . . . . 75 LEU CB . 15803 1 760 . 1 1 75 75 LEU CD1 C 13 24.843 0.064 . 2 . . . . 75 LEU CD1 . 15803 1 761 . 1 1 75 75 LEU CD2 C 13 23.724 0.051 . 2 . . . . 75 LEU CD2 . 15803 1 762 . 1 1 75 75 LEU CG C 13 27.284 0.033 . 1 . . . . 75 LEU CG . 15803 1 763 . 1 1 75 75 LEU N N 15 121.267 0.045 . 1 . . . . 75 LEU N . 15803 1 764 . 1 1 76 76 GLU H H 1 8.590 0.011 . 1 . . . . 76 GLU H . 15803 1 765 . 1 1 76 76 GLU HA H 1 4.090 0.004 . 1 . . . . 76 GLU HA . 15803 1 766 . 1 1 76 76 GLU HB2 H 1 1.920 0.003 . 2 . . . . 76 GLU HB2 . 15803 1 767 . 1 1 76 76 GLU HB3 H 1 1.920 0.003 . 2 . . . . 76 GLU HB3 . 15803 1 768 . 1 1 76 76 GLU HG2 H 1 2.198 0.005 . 2 . . . . 76 GLU HG2 . 15803 1 769 . 1 1 76 76 GLU HG3 H 1 2.198 0.005 . 2 . . . . 76 GLU HG3 . 15803 1 770 . 1 1 76 76 GLU C C 13 174.556 0.000 . 1 . . . . 76 GLU C . 15803 1 771 . 1 1 76 76 GLU CA C 13 57.427 0.023 . 1 . . . . 76 GLU CA . 15803 1 772 . 1 1 76 76 GLU CB C 13 29.728 0.069 . 1 . . . . 76 GLU CB . 15803 1 773 . 1 1 76 76 GLU CG C 13 36.224 0.070 . 1 . . . . 76 GLU CG . 15803 1 774 . 1 1 76 76 GLU N N 15 122.709 0.082 . 1 . . . . 76 GLU N . 15803 1 775 . 1 1 77 77 ASP H H 1 8.310 0.002 . 1 . . . . 77 ASP H . 15803 1 776 . 1 1 77 77 ASP HA H 1 4.236 0.003 . 1 . . . . 77 ASP HA . 15803 1 777 . 1 1 77 77 ASP HB2 H 1 2.170 0.007 . 2 . . . . 77 ASP HB2 . 15803 1 778 . 1 1 77 77 ASP HB3 H 1 1.889 0.014 . 2 . . . . 77 ASP HB3 . 15803 1 779 . 1 1 77 77 ASP C C 13 174.122 0.000 . 1 . . . . 77 ASP C . 15803 1 780 . 1 1 77 77 ASP CA C 13 55.364 0.034 . 1 . . . . 77 ASP CA . 15803 1 781 . 1 1 77 77 ASP CB C 13 40.681 0.120 . 1 . . . . 77 ASP CB . 15803 1 782 . 1 1 77 77 ASP N N 15 119.861 0.042 . 1 . . . . 77 ASP N . 15803 1 783 . 1 1 78 78 TYR H H 1 7.864 0.014 . 1 . . . . 78 TYR H . 15803 1 784 . 1 1 78 78 TYR HA H 1 4.822 0.004 . 1 . . . . 78 TYR HA . 15803 1 785 . 1 1 78 78 TYR HB2 H 1 3.142 0.009 . 2 . . . . 78 TYR HB2 . 15803 1 786 . 1 1 78 78 TYR HB3 H 1 2.670 0.009 . 2 . . . . 78 TYR HB3 . 15803 1 787 . 1 1 78 78 TYR HD1 H 1 7.036 0.004 . 3 . . . . 78 TYR HD1 . 15803 1 788 . 1 1 78 78 TYR HD2 H 1 7.036 0.004 . 3 . . . . 78 TYR HD2 . 15803 1 789 . 1 1 78 78 TYR HE1 H 1 6.734 0.003 . 3 . . . . 78 TYR HE1 . 15803 1 790 . 1 1 78 78 TYR HE2 H 1 6.734 0.003 . 3 . . . . 78 TYR HE2 . 15803 1 791 . 1 1 78 78 TYR C C 13 173.506 0.000 . 1 . . . . 78 TYR C . 15803 1 792 . 1 1 78 78 TYR CA C 13 55.741 0.000 . 1 . . . . 78 TYR CA . 15803 1 793 . 1 1 78 78 TYR CB C 13 37.839 0.051 . 1 . . . . 78 TYR CB . 15803 1 794 . 1 1 78 78 TYR CD1 C 13 132.803 0.063 . 3 . . . . 78 TYR CD1 . 15803 1 795 . 1 1 78 78 TYR CD2 C 13 132.803 0.063 . 3 . . . . 78 TYR CD2 . 15803 1 796 . 1 1 78 78 TYR CE1 C 13 118.240 0.044 . 3 . . . . 78 TYR CE1 . 15803 1 797 . 1 1 78 78 TYR CE2 C 13 118.240 0.044 . 3 . . . . 78 TYR CE2 . 15803 1 798 . 1 1 78 78 TYR N N 15 118.120 0.046 . 1 . . . . 78 TYR N . 15803 1 799 . 1 1 79 79 ALA H H 1 7.892 0.009 . 1 . . . . 79 ALA H . 15803 1 800 . 1 1 79 79 ALA HA H 1 3.733 0.007 . 1 . . . . 79 ALA HA . 15803 1 801 . 1 1 79 79 ALA HB1 H 1 1.343 0.004 . 1 . . . . 79 ALA HB1 . 15803 1 802 . 1 1 79 79 ALA HB2 H 1 1.343 0.004 . 1 . . . . 79 ALA HB2 . 15803 1 803 . 1 1 79 79 ALA HB3 H 1 1.343 0.004 . 1 . . . . 79 ALA HB3 . 15803 1 804 . 1 1 79 79 ALA C C 13 176.123 0.000 . 1 . . . . 79 ALA C . 15803 1 805 . 1 1 79 79 ALA CA C 13 55.439 0.032 . 1 . . . . 79 ALA CA . 15803 1 806 . 1 1 79 79 ALA CB C 13 18.800 0.071 . 1 . . . . 79 ALA CB . 15803 1 807 . 1 1 79 79 ALA N N 15 125.165 0.026 . 1 . . . . 79 ALA N . 15803 1 808 . 1 1 80 80 ALA H H 1 8.277 0.004 . 1 . . . . 80 ALA H . 15803 1 809 . 1 1 80 80 ALA HA H 1 3.972 0.003 . 1 . . . . 80 ALA HA . 15803 1 810 . 1 1 80 80 ALA HB1 H 1 1.226 0.009 . 1 . . . . 80 ALA HB1 . 15803 1 811 . 1 1 80 80 ALA HB2 H 1 1.226 0.009 . 1 . . . . 80 ALA HB2 . 15803 1 812 . 1 1 80 80 ALA HB3 H 1 1.226 0.009 . 1 . . . . 80 ALA HB3 . 15803 1 813 . 1 1 80 80 ALA CA C 13 54.872 0.027 . 1 . . . . 80 ALA CA . 15803 1 814 . 1 1 80 80 ALA CB C 13 18.152 0.080 . 1 . . . . 80 ALA CB . 15803 1 815 . 1 1 80 80 ALA N N 15 117.789 0.046 . 1 . . . . 80 ALA N . 15803 1 816 . 1 1 81 81 ILE H H 1 6.905 0.005 . 1 . . . . 81 ILE H . 15803 1 817 . 1 1 81 81 ILE HA H 1 3.588 0.012 . 1 . . . . 81 ILE HA . 15803 1 818 . 1 1 81 81 ILE HB H 1 1.606 0.006 . 1 . . . . 81 ILE HB . 15803 1 819 . 1 1 81 81 ILE HD11 H 1 0.420 0.005 . 1 . . . . 81 ILE HD11 . 15803 1 820 . 1 1 81 81 ILE HD12 H 1 0.420 0.005 . 1 . . . . 81 ILE HD12 . 15803 1 821 . 1 1 81 81 ILE HD13 H 1 0.420 0.005 . 1 . . . . 81 ILE HD13 . 15803 1 822 . 1 1 81 81 ILE HG12 H 1 1.120 0.011 . 2 . . . . 81 ILE HG12 . 15803 1 823 . 1 1 81 81 ILE HG13 H 1 0.627 0.011 . 2 . . . . 81 ILE HG13 . 15803 1 824 . 1 1 81 81 ILE HG21 H 1 0.411 0.005 . 1 . . . . 81 ILE HG21 . 15803 1 825 . 1 1 81 81 ILE HG22 H 1 0.411 0.005 . 1 . . . . 81 ILE HG22 . 15803 1 826 . 1 1 81 81 ILE HG23 H 1 0.411 0.005 . 1 . . . . 81 ILE HG23 . 15803 1 827 . 1 1 81 81 ILE C C 13 171.557 0.000 . 1 . . . . 81 ILE C . 15803 1 828 . 1 1 81 81 ILE CA C 13 62.858 0.059 . 1 . . . . 81 ILE CA . 15803 1 829 . 1 1 81 81 ILE CB C 13 37.762 0.036 . 1 . . . . 81 ILE CB . 15803 1 830 . 1 1 81 81 ILE CD1 C 13 12.535 0.056 . 1 . . . . 81 ILE CD1 . 15803 1 831 . 1 1 81 81 ILE CG1 C 13 27.347 0.045 . 1 . . . . 81 ILE CG1 . 15803 1 832 . 1 1 81 81 ILE CG2 C 13 17.308 0.072 . 1 . . . . 81 ILE CG2 . 15803 1 833 . 1 1 81 81 ILE N N 15 114.070 0.072 . 1 . . . . 81 ILE N . 15803 1 834 . 1 1 82 82 ARG H H 1 7.352 0.008 . 1 . . . . 82 ARG H . 15803 1 835 . 1 1 82 82 ARG HA H 1 3.691 0.008 . 1 . . . . 82 ARG HA . 15803 1 836 . 1 1 82 82 ARG HB2 H 1 1.670 0.006 . 2 . . . . 82 ARG HB2 . 15803 1 837 . 1 1 82 82 ARG HB3 H 1 1.575 0.030 . 2 . . . . 82 ARG HB3 . 15803 1 838 . 1 1 82 82 ARG HD2 H 1 3.051 0.008 . 2 . . . . 82 ARG HD2 . 15803 1 839 . 1 1 82 82 ARG HD3 H 1 3.101 0.003 . 2 . . . . 82 ARG HD3 . 15803 1 840 . 1 1 82 82 ARG HG2 H 1 0.782 0.002 . 2 . . . . 82 ARG HG2 . 15803 1 841 . 1 1 82 82 ARG HG3 H 1 1.420 0.015 . 2 . . . . 82 ARG HG3 . 15803 1 842 . 1 1 82 82 ARG C C 13 175.229 0.000 . 1 . . . . 82 ARG C . 15803 1 843 . 1 1 82 82 ARG CA C 13 60.275 0.062 . 1 . . . . 82 ARG CA . 15803 1 844 . 1 1 82 82 ARG CB C 13 30.174 0.022 . 1 . . . . 82 ARG CB . 15803 1 845 . 1 1 82 82 ARG CD C 13 43.605 0.020 . 1 . . . . 82 ARG CD . 15803 1 846 . 1 1 82 82 ARG CG C 13 26.581 0.078 . 1 . . . . 82 ARG CG . 15803 1 847 . 1 1 82 82 ARG N N 15 119.651 0.078 . 1 . . . . 82 ARG N . 15803 1 848 . 1 1 83 83 ASP H H 1 8.128 0.009 . 1 . . . . 83 ASP H . 15803 1 849 . 1 1 83 83 ASP HA H 1 3.964 0.006 . 1 . . . . 83 ASP HA . 15803 1 850 . 1 1 83 83 ASP HB2 H 1 2.465 0.003 . 2 . . . . 83 ASP HB2 . 15803 1 851 . 1 1 83 83 ASP HB3 H 1 2.619 0.005 . 2 . . . . 83 ASP HB3 . 15803 1 852 . 1 1 83 83 ASP C C 13 176.067 0.000 . 1 . . . . 83 ASP C . 15803 1 853 . 1 1 83 83 ASP CA C 13 57.678 0.010 . 1 . . . . 83 ASP CA . 15803 1 854 . 1 1 83 83 ASP CB C 13 39.791 0.053 . 1 . . . . 83 ASP CB . 15803 1 855 . 1 1 83 83 ASP N N 15 117.501 0.041 . 1 . . . . 83 ASP N . 15803 1 856 . 1 1 84 84 ASN H H 1 7.466 0.005 . 1 . . . . 84 ASN H . 15803 1 857 . 1 1 84 84 ASN HA H 1 4.381 0.008 . 1 . . . . 84 ASN HA . 15803 1 858 . 1 1 84 84 ASN HB2 H 1 3.028 0.002 . 1 . . . . 84 ASN HB2 . 15803 1 859 . 1 1 84 84 ASN HB3 H 1 3.028 0.002 . 1 . . . . 84 ASN HB3 . 15803 1 860 . 1 1 84 84 ASN HD21 H 1 10.238 0.003 . 1 . . . . 84 ASN HD21 . 15803 1 861 . 1 1 84 84 ASN HD22 H 1 6.336 0.004 . 1 . . . . 84 ASN HD22 . 15803 1 862 . 1 1 84 84 ASN C C 13 176.713 0.000 . 1 . . . . 84 ASN C . 15803 1 863 . 1 1 84 84 ASN CA C 13 55.073 0.075 . 1 . . . . 84 ASN CA . 15803 1 864 . 1 1 84 84 ASN CB C 13 37.819 0.037 . 1 . . . . 84 ASN CB . 15803 1 865 . 1 1 84 84 ASN N N 15 116.565 0.056 . 1 . . . . 84 ASN N . 15803 1 866 . 1 1 84 84 ASN ND2 N 15 114.030 0.085 . 1 . . . . 84 ASN ND2 . 15803 1 867 . 1 1 85 85 TYR H H 1 7.717 0.010 . 1 . . . . 85 TYR H . 15803 1 868 . 1 1 85 85 TYR HA H 1 4.502 0.004 . 1 . . . . 85 TYR HA . 15803 1 869 . 1 1 85 85 TYR HB2 H 1 2.805 0.005 . 2 . . . . 85 TYR HB2 . 15803 1 870 . 1 1 85 85 TYR HB3 H 1 3.016 0.015 . 2 . . . . 85 TYR HB3 . 15803 1 871 . 1 1 85 85 TYR HD1 H 1 6.751 0.006 . 3 . . . . 85 TYR HD1 . 15803 1 872 . 1 1 85 85 TYR HD2 H 1 6.751 0.006 . 3 . . . . 85 TYR HD2 . 15803 1 873 . 1 1 85 85 TYR HE1 H 1 6.371 0.011 . 3 . . . . 85 TYR HE1 . 15803 1 874 . 1 1 85 85 TYR HE2 H 1 6.371 0.011 . 3 . . . . 85 TYR HE2 . 15803 1 875 . 1 1 85 85 TYR HH H 1 10.846 0.021 . 1 . . . . 85 TYR HH . 15803 1 876 . 1 1 85 85 TYR C C 13 176.194 0.000 . 1 . . . . 85 TYR C . 15803 1 877 . 1 1 85 85 TYR CA C 13 61.166 0.032 . 1 . . . . 85 TYR CA . 15803 1 878 . 1 1 85 85 TYR CB C 13 37.844 0.094 . 1 . . . . 85 TYR CB . 15803 1 879 . 1 1 85 85 TYR CD1 C 13 132.920 0.142 . 3 . . . . 85 TYR CD1 . 15803 1 880 . 1 1 85 85 TYR CD2 C 13 132.920 0.142 . 3 . . . . 85 TYR CD2 . 15803 1 881 . 1 1 85 85 TYR CE1 C 13 119.303 0.167 . 3 . . . . 85 TYR CE1 . 15803 1 882 . 1 1 85 85 TYR CE2 C 13 119.303 0.167 . 3 . . . . 85 TYR CE2 . 15803 1 883 . 1 1 85 85 TYR N N 15 117.226 0.049 . 1 . . . . 85 TYR N . 15803 1 884 . 1 1 86 86 PHE H H 1 9.019 0.012 . 1 . . . . 86 PHE H . 15803 1 885 . 1 1 86 86 PHE HA H 1 4.688 0.007 . 1 . . . . 86 PHE HA . 15803 1 886 . 1 1 86 86 PHE HB2 H 1 3.085 0.007 . 2 . . . . 86 PHE HB2 . 15803 1 887 . 1 1 86 86 PHE HB3 H 1 3.648 0.002 . 2 . . . . 86 PHE HB3 . 15803 1 888 . 1 1 86 86 PHE HD1 H 1 7.098 0.008 . 3 . . . . 86 PHE HD1 . 15803 1 889 . 1 1 86 86 PHE HD2 H 1 7.098 0.008 . 3 . . . . 86 PHE HD2 . 15803 1 890 . 1 1 86 86 PHE HE1 H 1 7.307 0.008 . 3 . . . . 86 PHE HE1 . 15803 1 891 . 1 1 86 86 PHE HE2 H 1 7.307 0.008 . 3 . . . . 86 PHE HE2 . 15803 1 892 . 1 1 86 86 PHE CA C 13 54.852 0.000 . 1 . . . . 86 PHE CA . 15803 1 893 . 1 1 86 86 PHE CB C 13 37.790 0.114 . 1 . . . . 86 PHE CB . 15803 1 894 . 1 1 86 86 PHE CD1 C 13 129.195 0.106 . 3 . . . . 86 PHE CD1 . 15803 1 895 . 1 1 86 86 PHE CD2 C 13 129.195 0.106 . 3 . . . . 86 PHE CD2 . 15803 1 896 . 1 1 86 86 PHE CE1 C 13 131.430 0.067 . 3 . . . . 86 PHE CE1 . 15803 1 897 . 1 1 86 86 PHE CE2 C 13 131.430 0.067 . 3 . . . . 86 PHE CE2 . 15803 1 898 . 1 1 86 86 PHE N N 15 118.470 0.068 . 1 . . . . 86 PHE N . 15803 1 899 . 1 1 87 87 ARG H H 1 8.304 0.010 . 1 . . . . 87 ARG H . 15803 1 900 . 1 1 87 87 ARG HA H 1 3.808 0.005 . 1 . . . . 87 ARG HA . 15803 1 901 . 1 1 87 87 ARG HB2 H 1 1.938 0.009 . 2 . . . . 87 ARG HB2 . 15803 1 902 . 1 1 87 87 ARG HB3 H 1 1.938 0.009 . 2 . . . . 87 ARG HB3 . 15803 1 903 . 1 1 87 87 ARG HD2 H 1 3.260 0.006 . 1 . . . . 87 ARG HD2 . 15803 1 904 . 1 1 87 87 ARG HD3 H 1 3.260 0.006 . 1 . . . . 87 ARG HD3 . 15803 1 905 . 1 1 87 87 ARG HG2 H 1 1.705 0.004 . 2 . . . . 87 ARG HG2 . 15803 1 906 . 1 1 87 87 ARG HG3 H 1 1.874 0.005 . 2 . . . . 87 ARG HG3 . 15803 1 907 . 1 1 87 87 ARG C C 13 175.048 0.000 . 1 . . . . 87 ARG C . 15803 1 908 . 1 1 87 87 ARG CA C 13 60.218 0.041 . 1 . . . . 87 ARG CA . 15803 1 909 . 1 1 87 87 ARG CB C 13 30.326 0.078 . 1 . . . . 87 ARG CB . 15803 1 910 . 1 1 87 87 ARG CD C 13 43.468 0.019 . 1 . . . . 87 ARG CD . 15803 1 911 . 1 1 87 87 ARG CG C 13 28.178 0.097 . 1 . . . . 87 ARG CG . 15803 1 912 . 1 1 87 87 ARG N N 15 116.282 0.061 . 1 . . . . 87 ARG N . 15803 1 913 . 1 1 88 88 SER H H 1 7.594 0.006 . 1 . . . . 88 SER H . 15803 1 914 . 1 1 88 88 SER HA H 1 4.516 0.011 . 1 . . . . 88 SER HA . 15803 1 915 . 1 1 88 88 SER HB2 H 1 3.813 0.003 . 2 . . . . 88 SER HB2 . 15803 1 916 . 1 1 88 88 SER HB3 H 1 3.813 0.003 . 2 . . . . 88 SER HB3 . 15803 1 917 . 1 1 88 88 SER C C 13 173.158 0.000 . 1 . . . . 88 SER C . 15803 1 918 . 1 1 88 88 SER CA C 13 58.583 0.017 . 1 . . . . 88 SER CA . 15803 1 919 . 1 1 88 88 SER CB C 13 63.892 0.057 . 1 . . . . 88 SER CB . 15803 1 920 . 1 1 88 88 SER N N 15 109.588 0.054 . 1 . . . . 88 SER N . 15803 1 921 . 1 1 89 89 GLY H H 1 7.841 0.007 . 1 . . . . 89 GLY H . 15803 1 922 . 1 1 89 89 GLY HA2 H 1 3.729 0.007 . 2 . . . . 89 GLY HA2 . 15803 1 923 . 1 1 89 89 GLY HA3 H 1 3.274 0.005 . 2 . . . . 89 GLY HA3 . 15803 1 924 . 1 1 89 89 GLY CA C 13 46.087 0.054 . 1 . . . . 89 GLY CA . 15803 1 925 . 1 1 89 89 GLY N N 15 107.332 0.029 . 1 . . . . 89 GLY N . 15803 1 926 . 1 1 90 90 GLU H H 1 7.918 0.006 . 1 . . . . 90 GLU H . 15803 1 927 . 1 1 90 90 GLU HA H 1 4.518 0.008 . 1 . . . . 90 GLU HA . 15803 1 928 . 1 1 90 90 GLU HB2 H 1 1.939 0.002 . 1 . . . . 90 GLU HB2 . 15803 1 929 . 1 1 90 90 GLU HB3 H 1 1.939 0.002 . 1 . . . . 90 GLU HB3 . 15803 1 930 . 1 1 90 90 GLU HG2 H 1 2.263 0.005 . 1 . . . . 90 GLU HG2 . 15803 1 931 . 1 1 90 90 GLU HG3 H 1 2.263 0.005 . 1 . . . . 90 GLU HG3 . 15803 1 932 . 1 1 90 90 GLU C C 13 174.071 0.000 . 1 . . . . 90 GLU C . 15803 1 933 . 1 1 90 90 GLU CA C 13 55.935 0.059 . 1 . . . . 90 GLU CA . 15803 1 934 . 1 1 90 90 GLU CB C 13 30.539 0.060 . 1 . . . . 90 GLU CB . 15803 1 935 . 1 1 90 90 GLU CG C 13 36.247 0.005 . 1 . . . . 90 GLU CG . 15803 1 936 . 1 1 90 90 GLU N N 15 117.903 0.055 . 1 . . . . 90 GLU N . 15803 1 937 . 1 1 91 91 GLY H H 1 7.548 0.010 . 1 . . . . 91 GLY H . 15803 1 938 . 1 1 91 91 GLY HA2 H 1 3.182 0.010 . 2 . . . . 91 GLY HA2 . 15803 1 939 . 1 1 91 91 GLY HA3 H 1 4.985 0.002 . 2 . . . . 91 GLY HA3 . 15803 1 940 . 1 1 91 91 GLY C C 13 181.585 0.000 . 1 . . . . 91 GLY C . 15803 1 941 . 1 1 91 91 GLY CA C 13 45.469 0.112 . 1 . . . . 91 GLY CA . 15803 1 942 . 1 1 91 91 GLY N N 15 102.731 0.051 . 1 . . . . 91 GLY N . 15803 1 943 . 1 1 92 92 PHE H H 1 8.143 0.010 . 1 . . . . 92 PHE H . 15803 1 944 . 1 1 92 92 PHE HA H 1 5.167 0.010 . 1 . . . . 92 PHE HA . 15803 1 945 . 1 1 92 92 PHE HB2 H 1 2.432 0.006 . 2 . . . . 92 PHE HB2 . 15803 1 946 . 1 1 92 92 PHE HB3 H 1 2.677 0.005 . 2 . . . . 92 PHE HB3 . 15803 1 947 . 1 1 92 92 PHE HD1 H 1 6.858 0.009 . 3 . . . . 92 PHE HD1 . 15803 1 948 . 1 1 92 92 PHE HD2 H 1 6.858 0.009 . 3 . . . . 92 PHE HD2 . 15803 1 949 . 1 1 92 92 PHE HE1 H 1 6.720 0.007 . 3 . . . . 92 PHE HE1 . 15803 1 950 . 1 1 92 92 PHE HE2 H 1 6.720 0.007 . 3 . . . . 92 PHE HE2 . 15803 1 951 . 1 1 92 92 PHE HZ H 1 7.373 0.011 . 1 . . . . 92 PHE HZ . 15803 1 952 . 1 1 92 92 PHE C C 13 171.539 0.000 . 1 . . . . 92 PHE C . 15803 1 953 . 1 1 92 92 PHE CA C 13 57.111 0.058 . 1 . . . . 92 PHE CA . 15803 1 954 . 1 1 92 92 PHE CB C 13 42.639 0.147 . 1 . . . . 92 PHE CB . 15803 1 955 . 1 1 92 92 PHE CD1 C 13 132.231 0.082 . 3 . . . . 92 PHE CD1 . 15803 1 956 . 1 1 92 92 PHE CD2 C 13 132.231 0.082 . 3 . . . . 92 PHE CD2 . 15803 1 957 . 1 1 92 92 PHE CE1 C 13 130.657 0.159 . 3 . . . . 92 PHE CE1 . 15803 1 958 . 1 1 92 92 PHE CE2 C 13 130.657 0.159 . 3 . . . . 92 PHE CE2 . 15803 1 959 . 1 1 92 92 PHE CZ C 13 129.129 0.025 . 1 . . . . 92 PHE CZ . 15803 1 960 . 1 1 92 92 PHE N N 15 119.208 0.071 . 1 . . . . 92 PHE N . 15803 1 961 . 1 1 93 93 LEU H H 1 8.524 0.019 . 1 . . . . 93 LEU H . 15803 1 962 . 1 1 93 93 LEU HA H 1 4.781 0.006 . 1 . . . . 93 LEU HA . 15803 1 963 . 1 1 93 93 LEU HB2 H 1 1.907 0.009 . 2 . . . . 93 LEU HB2 . 15803 1 964 . 1 1 93 93 LEU HB3 H 1 0.679 0.010 . 2 . . . . 93 LEU HB3 . 15803 1 965 . 1 1 93 93 LEU HD11 H 1 0.452 0.003 . 2 . . . . 93 LEU HD11 . 15803 1 966 . 1 1 93 93 LEU HD12 H 1 0.452 0.003 . 2 . . . . 93 LEU HD12 . 15803 1 967 . 1 1 93 93 LEU HD13 H 1 0.452 0.003 . 2 . . . . 93 LEU HD13 . 15803 1 968 . 1 1 93 93 LEU HD21 H 1 -0.259 0.005 . 2 . . . . 93 LEU HD21 . 15803 1 969 . 1 1 93 93 LEU HD22 H 1 -0.259 0.005 . 2 . . . . 93 LEU HD22 . 15803 1 970 . 1 1 93 93 LEU HD23 H 1 -0.259 0.005 . 2 . . . . 93 LEU HD23 . 15803 1 971 . 1 1 93 93 LEU HG H 1 1.104 0.006 . 1 . . . . 93 LEU HG . 15803 1 972 . 1 1 93 93 LEU C C 13 171.230 0.000 . 1 . . . . 93 LEU C . 15803 1 973 . 1 1 93 93 LEU CA C 13 53.241 0.092 . 1 . . . . 93 LEU CA . 15803 1 974 . 1 1 93 93 LEU CB C 13 40.960 0.120 . 1 . . . . 93 LEU CB . 15803 1 975 . 1 1 93 93 LEU CD1 C 13 26.132 0.051 . 2 . . . . 93 LEU CD1 . 15803 1 976 . 1 1 93 93 LEU CD2 C 13 25.502 0.020 . 2 . . . . 93 LEU CD2 . 15803 1 977 . 1 1 93 93 LEU CG C 13 25.791 0.074 . 1 . . . . 93 LEU CG . 15803 1 978 . 1 1 93 93 LEU N N 15 123.152 0.093 . 1 . . . . 93 LEU N . 15803 1 979 . 1 1 94 94 LEU H H 1 8.483 0.005 . 1 . . . . 94 LEU H . 15803 1 980 . 1 1 94 94 LEU HA H 1 4.817 0.011 . 1 . . . . 94 LEU HA . 15803 1 981 . 1 1 94 94 LEU HB2 H 1 1.943 0.004 . 2 . . . . 94 LEU HB2 . 15803 1 982 . 1 1 94 94 LEU HB3 H 1 1.149 0.005 . 2 . . . . 94 LEU HB3 . 15803 1 983 . 1 1 94 94 LEU HD11 H 1 0.765 0.006 . 2 . . . . 94 LEU HD11 . 15803 1 984 . 1 1 94 94 LEU HD12 H 1 0.765 0.006 . 2 . . . . 94 LEU HD12 . 15803 1 985 . 1 1 94 94 LEU HD13 H 1 0.765 0.006 . 2 . . . . 94 LEU HD13 . 15803 1 986 . 1 1 94 94 LEU HD21 H 1 0.740 0.005 . 2 . . . . 94 LEU HD21 . 15803 1 987 . 1 1 94 94 LEU HD22 H 1 0.740 0.005 . 2 . . . . 94 LEU HD22 . 15803 1 988 . 1 1 94 94 LEU HD23 H 1 0.740 0.005 . 2 . . . . 94 LEU HD23 . 15803 1 989 . 1 1 94 94 LEU HG H 1 1.599 0.015 . 1 . . . . 94 LEU HG . 15803 1 990 . 1 1 94 94 LEU C C 13 171.377 0.000 . 1 . . . . 94 LEU C . 15803 1 991 . 1 1 94 94 LEU CA C 13 53.233 0.007 . 1 . . . . 94 LEU CA . 15803 1 992 . 1 1 94 94 LEU CB C 13 42.999 0.044 . 1 . . . . 94 LEU CB . 15803 1 993 . 1 1 94 94 LEU CD1 C 13 26.656 0.034 . 2 . . . . 94 LEU CD1 . 15803 1 994 . 1 1 94 94 LEU CD2 C 13 25.024 0.088 . 2 . . . . 94 LEU CD2 . 15803 1 995 . 1 1 94 94 LEU CG C 13 27.500 0.000 . 1 . . . . 94 LEU CG . 15803 1 996 . 1 1 94 94 LEU N N 15 127.056 0.017 . 1 . . . . 94 LEU N . 15803 1 997 . 1 1 95 95 VAL H H 1 9.198 0.005 . 1 . . . . 95 VAL H . 15803 1 998 . 1 1 95 95 VAL HA H 1 5.014 0.009 . 1 . . . . 95 VAL HA . 15803 1 999 . 1 1 95 95 VAL HB H 1 1.617 0.011 . 1 . . . . 95 VAL HB . 15803 1 1000 . 1 1 95 95 VAL HG11 H 1 0.667 0.007 . 2 . . . . 95 VAL HG11 . 15803 1 1001 . 1 1 95 95 VAL HG12 H 1 0.667 0.007 . 2 . . . . 95 VAL HG12 . 15803 1 1002 . 1 1 95 95 VAL HG13 H 1 0.667 0.007 . 2 . . . . 95 VAL HG13 . 15803 1 1003 . 1 1 95 95 VAL HG21 H 1 0.531 0.007 . 2 . . . . 95 VAL HG21 . 15803 1 1004 . 1 1 95 95 VAL HG22 H 1 0.531 0.007 . 2 . . . . 95 VAL HG22 . 15803 1 1005 . 1 1 95 95 VAL HG23 H 1 0.531 0.007 . 2 . . . . 95 VAL HG23 . 15803 1 1006 . 1 1 95 95 VAL C C 13 172.938 0.000 . 1 . . . . 95 VAL C . 15803 1 1007 . 1 1 95 95 VAL CA C 13 60.714 0.054 . 1 . . . . 95 VAL CA . 15803 1 1008 . 1 1 95 95 VAL CB C 13 33.264 0.093 . 1 . . . . 95 VAL CB . 15803 1 1009 . 1 1 95 95 VAL CG1 C 13 21.547 0.097 . 2 . . . . 95 VAL CG1 . 15803 1 1010 . 1 1 95 95 VAL CG2 C 13 22.538 0.016 . 2 . . . . 95 VAL CG2 . 15803 1 1011 . 1 1 95 95 VAL N N 15 125.804 0.017 . 1 . . . . 95 VAL N . 15803 1 1012 . 1 1 96 96 PHE H H 1 9.234 0.006 . 1 . . . . 96 PHE H . 15803 1 1013 . 1 1 96 96 PHE HA H 1 4.852 0.004 . 1 . . . . 96 PHE HA . 15803 1 1014 . 1 1 96 96 PHE HB2 H 1 3.475 0.014 . 2 . . . . 96 PHE HB2 . 15803 1 1015 . 1 1 96 96 PHE HB3 H 1 2.735 0.012 . 2 . . . . 96 PHE HB3 . 15803 1 1016 . 1 1 96 96 PHE HD1 H 1 7.200 0.007 . 3 . . . . 96 PHE HD1 . 15803 1 1017 . 1 1 96 96 PHE HD2 H 1 7.200 0.007 . 3 . . . . 96 PHE HD2 . 15803 1 1018 . 1 1 96 96 PHE HE1 H 1 7.420 0.009 . 3 . . . . 96 PHE HE1 . 15803 1 1019 . 1 1 96 96 PHE HE2 H 1 7.420 0.009 . 3 . . . . 96 PHE HE2 . 15803 1 1020 . 1 1 96 96 PHE HZ H 1 6.860 0.004 . 1 . . . . 96 PHE HZ . 15803 1 1021 . 1 1 96 96 PHE CA C 13 55.804 0.000 . 1 . . . . 96 PHE CA . 15803 1 1022 . 1 1 96 96 PHE CB C 13 40.640 0.050 . 1 . . . . 96 PHE CB . 15803 1 1023 . 1 1 96 96 PHE CD1 C 13 132.821 0.142 . 3 . . . . 96 PHE CD1 . 15803 1 1024 . 1 1 96 96 PHE CD2 C 13 132.821 0.142 . 3 . . . . 96 PHE CD2 . 15803 1 1025 . 1 1 96 96 PHE CE1 C 13 132.116 0.044 . 3 . . . . 96 PHE CE1 . 15803 1 1026 . 1 1 96 96 PHE CE2 C 13 132.116 0.044 . 3 . . . . 96 PHE CE2 . 15803 1 1027 . 1 1 96 96 PHE N N 15 122.578 0.053 . 1 . . . . 96 PHE N . 15803 1 1028 . 1 1 97 97 SER H H 1 8.777 0.009 . 1 . . . . 97 SER H . 15803 1 1029 . 1 1 97 97 SER HA H 1 4.856 0.004 . 1 . . . . 97 SER HA . 15803 1 1030 . 1 1 97 97 SER HB2 H 1 3.754 0.010 . 2 . . . . 97 SER HB2 . 15803 1 1031 . 1 1 97 97 SER HB3 H 1 3.497 0.010 . 2 . . . . 97 SER HB3 . 15803 1 1032 . 1 1 97 97 SER C C 13 175.150 0.000 . 1 . . . . 97 SER C . 15803 1 1033 . 1 1 97 97 SER CA C 13 54.359 0.000 . 1 . . . . 97 SER CA . 15803 1 1034 . 1 1 97 97 SER CB C 13 64.723 0.092 . 1 . . . . 97 SER CB . 15803 1 1035 . 1 1 97 97 SER N N 15 112.017 0.054 . 1 . . . . 97 SER N . 15803 1 1036 . 1 1 98 98 ILE H H 1 8.830 0.005 . 1 . . . . 98 ILE H . 15803 1 1037 . 1 1 98 98 ILE HA H 1 4.082 0.007 . 1 . . . . 98 ILE HA . 15803 1 1038 . 1 1 98 98 ILE HB H 1 2.001 0.008 . 1 . . . . 98 ILE HB . 15803 1 1039 . 1 1 98 98 ILE HD11 H 1 0.466 0.004 . 1 . . . . 98 ILE HD11 . 15803 1 1040 . 1 1 98 98 ILE HD12 H 1 0.466 0.004 . 1 . . . . 98 ILE HD12 . 15803 1 1041 . 1 1 98 98 ILE HD13 H 1 0.466 0.004 . 1 . . . . 98 ILE HD13 . 15803 1 1042 . 1 1 98 98 ILE HG12 H 1 1.047 0.009 . 2 . . . . 98 ILE HG12 . 15803 1 1043 . 1 1 98 98 ILE HG13 H 1 0.832 0.017 . 2 . . . . 98 ILE HG13 . 15803 1 1044 . 1 1 98 98 ILE HG21 H 1 0.764 0.006 . 1 . . . . 98 ILE HG21 . 15803 1 1045 . 1 1 98 98 ILE HG22 H 1 0.764 0.006 . 1 . . . . 98 ILE HG22 . 15803 1 1046 . 1 1 98 98 ILE HG23 H 1 0.764 0.006 . 1 . . . . 98 ILE HG23 . 15803 1 1047 . 1 1 98 98 ILE C C 13 174.520 0.000 . 1 . . . . 98 ILE C . 15803 1 1048 . 1 1 98 98 ILE CA C 13 64.406 0.060 . 1 . . . . 98 ILE CA . 15803 1 1049 . 1 1 98 98 ILE CB C 13 38.549 0.061 . 1 . . . . 98 ILE CB . 15803 1 1050 . 1 1 98 98 ILE CD1 C 13 15.476 0.043 . 1 . . . . 98 ILE CD1 . 15803 1 1051 . 1 1 98 98 ILE CG1 C 13 26.618 0.037 . 1 . . . . 98 ILE CG1 . 15803 1 1052 . 1 1 98 98 ILE CG2 C 13 18.643 0.060 . 1 . . . . 98 ILE CG2 . 15803 1 1053 . 1 1 98 98 ILE N N 15 121.564 0.075 . 1 . . . . 98 ILE N . 15803 1 1054 . 1 1 99 99 THR H H 1 8.164 0.005 . 1 . . . . 99 THR H . 15803 1 1055 . 1 1 99 99 THR HA H 1 4.475 0.009 . 1 . . . . 99 THR HA . 15803 1 1056 . 1 1 99 99 THR HB H 1 4.483 0.008 . 1 . . . . 99 THR HB . 15803 1 1057 . 1 1 99 99 THR HG1 H 1 4.708 0.016 . 1 . . . . 99 THR HG1 . 15803 1 1058 . 1 1 99 99 THR HG21 H 1 0.972 0.004 . 1 . . . . 99 THR HG21 . 15803 1 1059 . 1 1 99 99 THR HG22 H 1 0.972 0.004 . 1 . . . . 99 THR HG22 . 15803 1 1060 . 1 1 99 99 THR HG23 H 1 0.972 0.004 . 1 . . . . 99 THR HG23 . 15803 1 1061 . 1 1 99 99 THR C C 13 171.337 0.000 . 1 . . . . 99 THR C . 15803 1 1062 . 1 1 99 99 THR CA C 13 61.807 0.049 . 1 . . . . 99 THR CA . 15803 1 1063 . 1 1 99 99 THR CB C 13 68.784 0.098 . 1 . . . . 99 THR CB . 15803 1 1064 . 1 1 99 99 THR CG2 C 13 24.399 0.078 . 1 . . . . 99 THR CG2 . 15803 1 1065 . 1 1 99 99 THR N N 15 110.809 0.065 . 1 . . . . 99 THR N . 15803 1 1066 . 1 1 100 100 GLU H H 1 7.663 0.003 . 1 . . . . 100 GLU H . 15803 1 1067 . 1 1 100 100 GLU HA H 1 4.916 0.003 . 1 . . . . 100 GLU HA . 15803 1 1068 . 1 1 100 100 GLU HB2 H 1 1.774 0.004 . 2 . . . . 100 GLU HB2 . 15803 1 1069 . 1 1 100 100 GLU HB3 H 1 2.135 0.005 . 2 . . . . 100 GLU HB3 . 15803 1 1070 . 1 1 100 100 GLU HG2 H 1 2.159 0.005 . 2 . . . . 100 GLU HG2 . 15803 1 1071 . 1 1 100 100 GLU HG3 H 1 2.326 0.004 . 2 . . . . 100 GLU HG3 . 15803 1 1072 . 1 1 100 100 GLU C C 13 174.702 0.000 . 1 . . . . 100 GLU C . 15803 1 1073 . 1 1 100 100 GLU CA C 13 54.189 0.033 . 1 . . . . 100 GLU CA . 15803 1 1074 . 1 1 100 100 GLU CB C 13 32.168 0.064 . 1 . . . . 100 GLU CB . 15803 1 1075 . 1 1 100 100 GLU CG C 13 36.200 0.051 . 1 . . . . 100 GLU CG . 15803 1 1076 . 1 1 100 100 GLU N N 15 120.589 0.040 . 1 . . . . 100 GLU N . 15803 1 1077 . 1 1 101 101 HIS H H 1 10.030 0.009 . 1 . . . . 101 HIS H . 15803 1 1078 . 1 1 101 101 HIS HA H 1 3.957 0.005 . 1 . . . . 101 HIS HA . 15803 1 1079 . 1 1 101 101 HIS HB2 H 1 3.259 0.005 . 2 . . . . 101 HIS HB2 . 15803 1 1080 . 1 1 101 101 HIS HB3 H 1 3.282 0.008 . 2 . . . . 101 HIS HB3 . 15803 1 1081 . 1 1 101 101 HIS HD2 H 1 7.359 0.007 . 1 . . . . 101 HIS HD2 . 15803 1 1082 . 1 1 101 101 HIS HE1 H 1 8.273 0.004 . 1 . . . . 101 HIS HE1 . 15803 1 1083 . 1 1 101 101 HIS C C 13 174.976 0.000 . 1 . . . . 101 HIS C . 15803 1 1084 . 1 1 101 101 HIS CA C 13 61.858 0.053 . 1 . . . . 101 HIS CA . 15803 1 1085 . 1 1 101 101 HIS CB C 13 28.385 0.050 . 1 . . . . 101 HIS CB . 15803 1 1086 . 1 1 101 101 HIS CD2 C 13 120.178 0.036 . 1 . . . . 101 HIS CD2 . 15803 1 1087 . 1 1 101 101 HIS CE1 C 13 136.590 0.006 . 1 . . . . 101 HIS CE1 . 15803 1 1088 . 1 1 101 101 HIS N N 15 130.794 0.093 . 1 . . . . 101 HIS N . 15803 1 1089 . 1 1 102 102 GLU H H 1 9.854 0.005 . 1 . . . . 102 GLU H . 15803 1 1090 . 1 1 102 102 GLU HA H 1 4.284 0.003 . 1 . . . . 102 GLU HA . 15803 1 1091 . 1 1 102 102 GLU HB2 H 1 2.054 0.008 . 2 . . . . 102 GLU HB2 . 15803 1 1092 . 1 1 102 102 GLU HB3 H 1 2.054 0.008 . 2 . . . . 102 GLU HB3 . 15803 1 1093 . 1 1 102 102 GLU HG2 H 1 2.422 0.005 . 2 . . . . 102 GLU HG2 . 15803 1 1094 . 1 1 102 102 GLU HG3 H 1 2.422 0.005 . 2 . . . . 102 GLU HG3 . 15803 1 1095 . 1 1 102 102 GLU C C 13 176.421 0.000 . 1 . . . . 102 GLU C . 15803 1 1096 . 1 1 102 102 GLU CA C 13 59.643 0.061 . 1 . . . . 102 GLU CA . 15803 1 1097 . 1 1 102 102 GLU CB C 13 29.063 0.077 . 1 . . . . 102 GLU CB . 15803 1 1098 . 1 1 102 102 GLU CG C 13 36.817 0.047 . 1 . . . . 102 GLU CG . 15803 1 1099 . 1 1 102 102 GLU N N 15 118.497 0.043 . 1 . . . . 102 GLU N . 15803 1 1100 . 1 1 103 103 SER H H 1 7.567 0.006 . 1 . . . . 103 SER H . 15803 1 1101 . 1 1 103 103 SER HA H 1 4.496 0.008 . 1 . . . . 103 SER HA . 15803 1 1102 . 1 1 103 103 SER HB2 H 1 4.246 0.006 . 1 . . . . 103 SER HB2 . 15803 1 1103 . 1 1 103 103 SER HB3 H 1 4.246 0.006 . 1 . . . . 103 SER HB3 . 15803 1 1104 . 1 1 103 103 SER HG H 1 6.111 0.027 . 1 . . . . 103 SER HG . 15803 1 1105 . 1 1 103 103 SER C C 13 173.852 0.000 . 1 . . . . 103 SER C . 15803 1 1106 . 1 1 103 103 SER CA C 13 61.187 0.020 . 1 . . . . 103 SER CA . 15803 1 1107 . 1 1 103 103 SER CB C 13 63.651 0.022 . 1 . . . . 103 SER CB . 15803 1 1108 . 1 1 103 103 SER N N 15 115.501 0.047 . 1 . . . . 103 SER N . 15803 1 1109 . 1 1 104 104 PHE H H 1 7.236 0.007 . 1 . . . . 104 PHE H . 15803 1 1110 . 1 1 104 104 PHE HA H 1 3.826 0.006 . 1 . . . . 104 PHE HA . 15803 1 1111 . 1 1 104 104 PHE HB2 H 1 2.726 0.016 . 2 . . . . 104 PHE HB2 . 15803 1 1112 . 1 1 104 104 PHE HB3 H 1 2.421 0.011 . 2 . . . . 104 PHE HB3 . 15803 1 1113 . 1 1 104 104 PHE HD1 H 1 5.592 0.004 . 3 . . . . 104 PHE HD1 . 15803 1 1114 . 1 1 104 104 PHE HD2 H 1 5.592 0.004 . 3 . . . . 104 PHE HD2 . 15803 1 1115 . 1 1 104 104 PHE HE1 H 1 6.699 0.005 . 3 . . . . 104 PHE HE1 . 15803 1 1116 . 1 1 104 104 PHE HE2 H 1 6.699 0.005 . 3 . . . . 104 PHE HE2 . 15803 1 1117 . 1 1 104 104 PHE HZ H 1 6.572 0.006 . 1 . . . . 104 PHE HZ . 15803 1 1118 . 1 1 104 104 PHE C C 13 176.388 0.000 . 1 . . . . 104 PHE C . 15803 1 1119 . 1 1 104 104 PHE CA C 13 59.795 0.043 . 1 . . . . 104 PHE CA . 15803 1 1120 . 1 1 104 104 PHE CB C 13 39.328 0.075 . 1 . . . . 104 PHE CB . 15803 1 1121 . 1 1 104 104 PHE CD1 C 13 131.323 0.037 . 3 . . . . 104 PHE CD1 . 15803 1 1122 . 1 1 104 104 PHE CD2 C 13 131.323 0.037 . 3 . . . . 104 PHE CD2 . 15803 1 1123 . 1 1 104 104 PHE CE1 C 13 130.152 0.059 . 3 . . . . 104 PHE CE1 . 15803 1 1124 . 1 1 104 104 PHE CE2 C 13 130.152 0.059 . 3 . . . . 104 PHE CE2 . 15803 1 1125 . 1 1 104 104 PHE CZ C 13 128.409 0.042 . 1 . . . . 104 PHE CZ . 15803 1 1126 . 1 1 104 104 PHE N N 15 125.003 0.073 . 1 . . . . 104 PHE N . 15803 1 1127 . 1 1 105 105 THR H H 1 8.326 0.005 . 1 . . . . 105 THR H . 15803 1 1128 . 1 1 105 105 THR HA H 1 3.480 0.003 . 1 . . . . 105 THR HA . 15803 1 1129 . 1 1 105 105 THR HB H 1 4.151 0.004 . 1 . . . . 105 THR HB . 15803 1 1130 . 1 1 105 105 THR HG21 H 1 1.140 0.004 . 1 . . . . 105 THR HG21 . 15803 1 1131 . 1 1 105 105 THR HG22 H 1 1.140 0.004 . 1 . . . . 105 THR HG22 . 15803 1 1132 . 1 1 105 105 THR HG23 H 1 1.140 0.004 . 1 . . . . 105 THR HG23 . 15803 1 1133 . 1 1 105 105 THR C C 13 175.354 0.000 . 1 . . . . 105 THR C . 15803 1 1134 . 1 1 105 105 THR CA C 13 66.056 0.034 . 1 . . . . 105 THR CA . 15803 1 1135 . 1 1 105 105 THR CB C 13 67.750 0.060 . 1 . . . . 105 THR CB . 15803 1 1136 . 1 1 105 105 THR CG2 C 13 22.618 0.032 . 1 . . . . 105 THR CG2 . 15803 1 1137 . 1 1 105 105 THR N N 15 117.946 0.039 . 1 . . . . 105 THR N . 15803 1 1138 . 1 1 106 106 ALA H H 1 7.664 0.008 . 1 . . . . 106 ALA H . 15803 1 1139 . 1 1 106 106 ALA HA H 1 4.135 0.009 . 1 . . . . 106 ALA HA . 15803 1 1140 . 1 1 106 106 ALA HB1 H 1 1.595 0.004 . 1 . . . . 106 ALA HB1 . 15803 1 1141 . 1 1 106 106 ALA HB2 H 1 1.595 0.004 . 1 . . . . 106 ALA HB2 . 15803 1 1142 . 1 1 106 106 ALA HB3 H 1 1.595 0.004 . 1 . . . . 106 ALA HB3 . 15803 1 1143 . 1 1 106 106 ALA C C 13 177.214 0.000 . 1 . . . . 106 ALA C . 15803 1 1144 . 1 1 106 106 ALA CA C 13 54.723 0.076 . 1 . . . . 106 ALA CA . 15803 1 1145 . 1 1 106 106 ALA CB C 13 18.554 0.049 . 1 . . . . 106 ALA CB . 15803 1 1146 . 1 1 106 106 ALA N N 15 121.808 0.040 . 1 . . . . 106 ALA N . 15803 1 1147 . 1 1 107 107 THR H H 1 7.447 0.004 . 1 . . . . 107 THR H . 15803 1 1148 . 1 1 107 107 THR HA H 1 4.102 0.017 . 1 . . . . 107 THR HA . 15803 1 1149 . 1 1 107 107 THR HB H 1 4.230 0.004 . 1 . . . . 107 THR HB . 15803 1 1150 . 1 1 107 107 THR HG1 H 1 4.437 0.007 . 1 . . . . 107 THR HG1 . 15803 1 1151 . 1 1 107 107 THR HG21 H 1 1.597 0.003 . 1 . . . . 107 THR HG21 . 15803 1 1152 . 1 1 107 107 THR HG22 H 1 1.597 0.003 . 1 . . . . 107 THR HG22 . 15803 1 1153 . 1 1 107 107 THR HG23 H 1 1.597 0.003 . 1 . . . . 107 THR HG23 . 15803 1 1154 . 1 1 107 107 THR C C 13 174.084 0.000 . 1 . . . . 107 THR C . 15803 1 1155 . 1 1 107 107 THR CA C 13 66.678 0.030 . 1 . . . . 107 THR CA . 15803 1 1156 . 1 1 107 107 THR CB C 13 68.994 0.034 . 1 . . . . 107 THR CB . 15803 1 1157 . 1 1 107 107 THR CG2 C 13 23.016 0.042 . 1 . . . . 107 THR CG2 . 15803 1 1158 . 1 1 107 107 THR N N 15 108.241 0.064 . 1 . . . . 107 THR N . 15803 1 1159 . 1 1 108 108 ALA H H 1 7.040 0.003 . 1 . . . . 108 ALA H . 15803 1 1160 . 1 1 108 108 ALA HA H 1 4.100 0.004 . 1 . . . . 108 ALA HA . 15803 1 1161 . 1 1 108 108 ALA HB1 H 1 1.588 0.004 . 1 . . . . 108 ALA HB1 . 15803 1 1162 . 1 1 108 108 ALA HB2 H 1 1.588 0.004 . 1 . . . . 108 ALA HB2 . 15803 1 1163 . 1 1 108 108 ALA HB3 H 1 1.588 0.004 . 1 . . . . 108 ALA HB3 . 15803 1 1164 . 1 1 108 108 ALA C C 13 177.651 0.000 . 1 . . . . 108 ALA C . 15803 1 1165 . 1 1 108 108 ALA CA C 13 55.468 0.038 . 1 . . . . 108 ALA CA . 15803 1 1166 . 1 1 108 108 ALA CB C 13 18.544 0.053 . 1 . . . . 108 ALA CB . 15803 1 1167 . 1 1 108 108 ALA N N 15 122.366 0.046 . 1 . . . . 108 ALA N . 15803 1 1168 . 1 1 109 109 GLU H H 1 7.289 0.004 . 1 . . . . 109 GLU H . 15803 1 1169 . 1 1 109 109 GLU HA H 1 4.013 0.007 . 1 . . . . 109 GLU HA . 15803 1 1170 . 1 1 109 109 GLU HB2 H 1 1.916 0.007 . 2 . . . . 109 GLU HB2 . 15803 1 1171 . 1 1 109 109 GLU HB3 H 1 1.800 0.008 . 2 . . . . 109 GLU HB3 . 15803 1 1172 . 1 1 109 109 GLU HG2 H 1 2.061 0.002 . 2 . . . . 109 GLU HG2 . 15803 1 1173 . 1 1 109 109 GLU HG3 H 1 2.061 0.002 . 2 . . . . 109 GLU HG3 . 15803 1 1174 . 1 1 109 109 GLU C C 13 177.045 0.000 . 1 . . . . 109 GLU C . 15803 1 1175 . 1 1 109 109 GLU CA C 13 58.561 0.035 . 1 . . . . 109 GLU CA . 15803 1 1176 . 1 1 109 109 GLU CB C 13 28.887 0.059 . 1 . . . . 109 GLU CB . 15803 1 1177 . 1 1 109 109 GLU CG C 13 35.831 0.045 . 1 . . . . 109 GLU CG . 15803 1 1178 . 1 1 109 109 GLU N N 15 118.635 0.033 . 1 . . . . 109 GLU N . 15803 1 1179 . 1 1 110 110 PHE H H 1 7.567 0.004 . 1 . . . . 110 PHE H . 15803 1 1180 . 1 1 110 110 PHE HA H 1 4.201 0.007 . 1 . . . . 110 PHE HA . 15803 1 1181 . 1 1 110 110 PHE HB2 H 1 2.767 0.003 . 2 . . . . 110 PHE HB2 . 15803 1 1182 . 1 1 110 110 PHE HB3 H 1 2.767 0.003 . 2 . . . . 110 PHE HB3 . 15803 1 1183 . 1 1 110 110 PHE HD1 H 1 7.150 0.010 . 3 . . . . 110 PHE HD1 . 15803 1 1184 . 1 1 110 110 PHE HD2 H 1 7.150 0.010 . 3 . . . . 110 PHE HD2 . 15803 1 1185 . 1 1 110 110 PHE HE1 H 1 7.343 0.001 . 3 . . . . 110 PHE HE1 . 15803 1 1186 . 1 1 110 110 PHE HE2 H 1 7.343 0.001 . 3 . . . . 110 PHE HE2 . 15803 1 1187 . 1 1 110 110 PHE C C 13 175.540 0.000 . 1 . . . . 110 PHE C . 15803 1 1188 . 1 1 110 110 PHE CA C 13 61.950 0.027 . 1 . . . . 110 PHE CA . 15803 1 1189 . 1 1 110 110 PHE CB C 13 39.666 0.056 . 1 . . . . 110 PHE CB . 15803 1 1190 . 1 1 110 110 PHE CD1 C 13 131.298 0.048 . 3 . . . . 110 PHE CD1 . 15803 1 1191 . 1 1 110 110 PHE CD2 C 13 131.298 0.048 . 3 . . . . 110 PHE CD2 . 15803 1 1192 . 1 1 110 110 PHE CE1 C 13 131.456 0.034 . 3 . . . . 110 PHE CE1 . 15803 1 1193 . 1 1 110 110 PHE CE2 C 13 131.456 0.034 . 3 . . . . 110 PHE CE2 . 15803 1 1194 . 1 1 110 110 PHE N N 15 117.428 0.029 . 1 . . . . 110 PHE N . 15803 1 1195 . 1 1 111 111 ARG H H 1 8.247 0.006 . 1 . . . . 111 ARG H . 15803 1 1196 . 1 1 111 111 ARG HA H 1 3.365 0.007 . 1 . . . . 111 ARG HA . 15803 1 1197 . 1 1 111 111 ARG HB2 H 1 0.837 0.016 . 2 . . . . 111 ARG HB2 . 15803 1 1198 . 1 1 111 111 ARG HB3 H 1 0.839 0.010 . 2 . . . . 111 ARG HB3 . 15803 1 1199 . 1 1 111 111 ARG HD2 H 1 0.875 0.005 . 2 . . . . 111 ARG HD2 . 15803 1 1200 . 1 1 111 111 ARG HD3 H 1 1.115 0.004 . 2 . . . . 111 ARG HD3 . 15803 1 1201 . 1 1 111 111 ARG HE H 1 6.777 0.004 . 1 . . . . 111 ARG HE . 15803 1 1202 . 1 1 111 111 ARG HG2 H 1 0.542 0.008 . 2 . . . . 111 ARG HG2 . 15803 1 1203 . 1 1 111 111 ARG HG3 H 1 1.190 0.011 . 2 . . . . 111 ARG HG3 . 15803 1 1204 . 1 1 111 111 ARG HH11 H 1 6.381 0.007 . 1 . . . . 111 ARG HH11 . 15803 1 1205 . 1 1 111 111 ARG HH12 H 1 6.388 0.000 . 1 . . . . 111 ARG HH12 . 15803 1 1206 . 1 1 111 111 ARG HH21 H 1 6.381 0.007 . 1 . . . . 111 ARG HH21 . 15803 1 1207 . 1 1 111 111 ARG HH22 H 1 6.388 0.000 . 1 . . . . 111 ARG HH22 . 15803 1 1208 . 1 1 111 111 ARG C C 13 174.443 0.000 . 1 . . . . 111 ARG C . 15803 1 1209 . 1 1 111 111 ARG CA C 13 59.999 0.069 . 1 . . . . 111 ARG CA . 15803 1 1210 . 1 1 111 111 ARG CB C 13 28.293 0.036 . 1 . . . . 111 ARG CB . 15803 1 1211 . 1 1 111 111 ARG CD C 13 41.427 0.059 . 1 . . . . 111 ARG CD . 15803 1 1212 . 1 1 111 111 ARG CG C 13 27.818 0.014 . 1 . . . . 111 ARG CG . 15803 1 1213 . 1 1 111 111 ARG N N 15 117.377 0.017 . 1 . . . . 111 ARG N . 15803 1 1214 . 1 1 111 111 ARG NE N 15 82.749 0.026 . 1 . . . . 111 ARG NE . 15803 1 1215 . 1 1 112 112 GLU H H 1 7.460 0.008 . 1 . . . . 112 GLU H . 15803 1 1216 . 1 1 112 112 GLU HA H 1 3.662 0.005 . 1 . . . . 112 GLU HA . 15803 1 1217 . 1 1 112 112 GLU HB2 H 1 2.016 0.018 . 2 . . . . 112 GLU HB2 . 15803 1 1218 . 1 1 112 112 GLU HB3 H 1 1.965 0.008 . 2 . . . . 112 GLU HB3 . 15803 1 1219 . 1 1 112 112 GLU HG2 H 1 2.196 0.017 . 2 . . . . 112 GLU HG2 . 15803 1 1220 . 1 1 112 112 GLU HG3 H 1 2.249 0.010 . 2 . . . . 112 GLU HG3 . 15803 1 1221 . 1 1 112 112 GLU C C 13 176.680 0.000 . 1 . . . . 112 GLU C . 15803 1 1222 . 1 1 112 112 GLU CA C 13 59.368 0.035 . 1 . . . . 112 GLU CA . 15803 1 1223 . 1 1 112 112 GLU CB C 13 29.003 0.018 . 1 . . . . 112 GLU CB . 15803 1 1224 . 1 1 112 112 GLU CG C 13 35.970 0.035 . 1 . . . . 112 GLU CG . 15803 1 1225 . 1 1 112 112 GLU N N 15 116.614 0.041 . 1 . . . . 112 GLU N . 15803 1 1226 . 1 1 113 113 GLN H H 1 7.631 0.011 . 1 . . . . 113 GLN H . 15803 1 1227 . 1 1 113 113 GLN HA H 1 3.939 0.007 . 1 . . . . 113 GLN HA . 15803 1 1228 . 1 1 113 113 GLN HB2 H 1 2.332 0.009 . 2 . . . . 113 GLN HB2 . 15803 1 1229 . 1 1 113 113 GLN HB3 H 1 2.181 0.005 . 2 . . . . 113 GLN HB3 . 15803 1 1230 . 1 1 113 113 GLN HE21 H 1 6.363 0.005 . 1 . . . . 113 GLN HE21 . 15803 1 1231 . 1 1 113 113 GLN HE22 H 1 7.463 0.006 . 1 . . . . 113 GLN HE22 . 15803 1 1232 . 1 1 113 113 GLN HG2 H 1 2.429 0.013 . 2 . . . . 113 GLN HG2 . 15803 1 1233 . 1 1 113 113 GLN HG3 H 1 2.499 0.007 . 2 . . . . 113 GLN HG3 . 15803 1 1234 . 1 1 113 113 GLN C C 13 176.171 0.000 . 1 . . . . 113 GLN C . 15803 1 1235 . 1 1 113 113 GLN CA C 13 58.991 0.089 . 1 . . . . 113 GLN CA . 15803 1 1236 . 1 1 113 113 GLN CB C 13 27.863 0.019 . 1 . . . . 113 GLN CB . 15803 1 1237 . 1 1 113 113 GLN CG C 13 33.047 0.045 . 1 . . . . 113 GLN CG . 15803 1 1238 . 1 1 113 113 GLN N N 15 118.243 0.091 . 1 . . . . 113 GLN N . 15803 1 1239 . 1 1 113 113 GLN NE2 N 15 110.349 0.080 . 1 . . . . 113 GLN NE2 . 15803 1 1240 . 1 1 114 114 ILE H H 1 7.780 0.007 . 1 . . . . 114 ILE H . 15803 1 1241 . 1 1 114 114 ILE HA H 1 2.987 0.007 . 1 . . . . 114 ILE HA . 15803 1 1242 . 1 1 114 114 ILE HB H 1 1.279 0.010 . 1 . . . . 114 ILE HB . 15803 1 1243 . 1 1 114 114 ILE HD11 H 1 -0.041 0.004 . 1 . . . . 114 ILE HD11 . 15803 1 1244 . 1 1 114 114 ILE HD12 H 1 -0.041 0.004 . 1 . . . . 114 ILE HD12 . 15803 1 1245 . 1 1 114 114 ILE HD13 H 1 -0.041 0.004 . 1 . . . . 114 ILE HD13 . 15803 1 1246 . 1 1 114 114 ILE HG12 H 1 1.188 0.011 . 2 . . . . 114 ILE HG12 . 15803 1 1247 . 1 1 114 114 ILE HG13 H 1 -0.673 0.010 . 2 . . . . 114 ILE HG13 . 15803 1 1248 . 1 1 114 114 ILE HG21 H 1 -0.441 0.005 . 1 . . . . 114 ILE HG21 . 15803 1 1249 . 1 1 114 114 ILE HG22 H 1 -0.441 0.005 . 1 . . . . 114 ILE HG22 . 15803 1 1250 . 1 1 114 114 ILE HG23 H 1 -0.441 0.005 . 1 . . . . 114 ILE HG23 . 15803 1 1251 . 1 1 114 114 ILE C C 13 174.643 0.000 . 1 . . . . 114 ILE C . 15803 1 1252 . 1 1 114 114 ILE CA C 13 65.761 0.094 . 1 . . . . 114 ILE CA . 15803 1 1253 . 1 1 114 114 ILE CB C 13 37.972 0.054 . 1 . . . . 114 ILE CB . 15803 1 1254 . 1 1 114 114 ILE CD1 C 13 14.796 0.038 . 1 . . . . 114 ILE CD1 . 15803 1 1255 . 1 1 114 114 ILE CG1 C 13 28.054 0.101 . 1 . . . . 114 ILE CG1 . 15803 1 1256 . 1 1 114 114 ILE CG2 C 13 15.984 0.037 . 1 . . . . 114 ILE CG2 . 15803 1 1257 . 1 1 114 114 ILE N N 15 120.104 0.037 . 1 . . . . 114 ILE N . 15803 1 1258 . 1 1 115 115 LEU H H 1 7.876 0.011 . 1 . . . . 115 LEU H . 15803 1 1259 . 1 1 115 115 LEU HA H 1 3.532 0.005 . 1 . . . . 115 LEU HA . 15803 1 1260 . 1 1 115 115 LEU HB2 H 1 1.511 0.008 . 2 . . . . 115 LEU HB2 . 15803 1 1261 . 1 1 115 115 LEU HB3 H 1 1.283 0.006 . 2 . . . . 115 LEU HB3 . 15803 1 1262 . 1 1 115 115 LEU HD11 H 1 0.533 0.006 . 2 . . . . 115 LEU HD11 . 15803 1 1263 . 1 1 115 115 LEU HD12 H 1 0.533 0.006 . 2 . . . . 115 LEU HD12 . 15803 1 1264 . 1 1 115 115 LEU HD13 H 1 0.533 0.006 . 2 . . . . 115 LEU HD13 . 15803 1 1265 . 1 1 115 115 LEU HD21 H 1 0.481 0.008 . 2 . . . . 115 LEU HD21 . 15803 1 1266 . 1 1 115 115 LEU HD22 H 1 0.481 0.008 . 2 . . . . 115 LEU HD22 . 15803 1 1267 . 1 1 115 115 LEU HD23 H 1 0.481 0.008 . 2 . . . . 115 LEU HD23 . 15803 1 1268 . 1 1 115 115 LEU HG H 1 1.511 0.005 . 1 . . . . 115 LEU HG . 15803 1 1269 . 1 1 115 115 LEU C C 13 175.400 0.000 . 1 . . . . 115 LEU C . 15803 1 1270 . 1 1 115 115 LEU CA C 13 57.887 0.018 . 1 . . . . 115 LEU CA . 15803 1 1271 . 1 1 115 115 LEU CB C 13 40.733 0.038 . 1 . . . . 115 LEU CB . 15803 1 1272 . 1 1 115 115 LEU CD1 C 13 22.499 0.017 . 2 . . . . 115 LEU CD1 . 15803 1 1273 . 1 1 115 115 LEU CD2 C 13 24.191 0.031 . 2 . . . . 115 LEU CD2 . 15803 1 1274 . 1 1 115 115 LEU CG C 13 27.425 0.059 . 1 . . . . 115 LEU CG . 15803 1 1275 . 1 1 115 115 LEU N N 15 116.747 0.089 . 1 . . . . 115 LEU N . 15803 1 1276 . 1 1 116 116 ARG H H 1 7.664 0.005 . 1 . . . . 116 ARG H . 15803 1 1277 . 1 1 116 116 ARG HA H 1 3.993 0.004 . 1 . . . . 116 ARG HA . 15803 1 1278 . 1 1 116 116 ARG HB2 H 1 1.837 0.002 . 2 . . . . 116 ARG HB2 . 15803 1 1279 . 1 1 116 116 ARG HB3 H 1 1.837 0.002 . 2 . . . . 116 ARG HB3 . 15803 1 1280 . 1 1 116 116 ARG HD2 H 1 3.154 0.005 . 2 . . . . 116 ARG HD2 . 15803 1 1281 . 1 1 116 116 ARG HD3 H 1 3.154 0.005 . 2 . . . . 116 ARG HD3 . 15803 1 1282 . 1 1 116 116 ARG HG2 H 1 1.620 0.007 . 2 . . . . 116 ARG HG2 . 15803 1 1283 . 1 1 116 116 ARG HG3 H 1 1.512 0.008 . 2 . . . . 116 ARG HG3 . 15803 1 1284 . 1 1 116 116 ARG C C 13 176.719 0.000 . 1 . . . . 116 ARG C . 15803 1 1285 . 1 1 116 116 ARG CA C 13 58.995 0.128 . 1 . . . . 116 ARG CA . 15803 1 1286 . 1 1 116 116 ARG CB C 13 30.315 0.061 . 1 . . . . 116 ARG CB . 15803 1 1287 . 1 1 116 116 ARG CD C 13 43.480 0.105 . 1 . . . . 116 ARG CD . 15803 1 1288 . 1 1 116 116 ARG CG C 13 27.316 0.046 . 1 . . . . 116 ARG CG . 15803 1 1289 . 1 1 116 116 ARG N N 15 117.116 0.041 . 1 . . . . 116 ARG N . 15803 1 1290 . 1 1 117 117 VAL H H 1 7.717 0.006 . 1 . . . . 117 VAL H . 15803 1 1291 . 1 1 117 117 VAL HA H 1 3.975 0.002 . 1 . . . . 117 VAL HA . 15803 1 1292 . 1 1 117 117 VAL HB H 1 2.192 0.005 . 1 . . . . 117 VAL HB . 15803 1 1293 . 1 1 117 117 VAL HG11 H 1 1.170 0.005 . 2 . . . . 117 VAL HG11 . 15803 1 1294 . 1 1 117 117 VAL HG12 H 1 1.170 0.005 . 2 . . . . 117 VAL HG12 . 15803 1 1295 . 1 1 117 117 VAL HG13 H 1 1.170 0.005 . 2 . . . . 117 VAL HG13 . 15803 1 1296 . 1 1 117 117 VAL HG21 H 1 1.077 0.011 . 2 . . . . 117 VAL HG21 . 15803 1 1297 . 1 1 117 117 VAL HG22 H 1 1.077 0.011 . 2 . . . . 117 VAL HG22 . 15803 1 1298 . 1 1 117 117 VAL HG23 H 1 1.077 0.011 . 2 . . . . 117 VAL HG23 . 15803 1 1299 . 1 1 117 117 VAL C C 13 175.351 0.000 . 1 . . . . 117 VAL C . 15803 1 1300 . 1 1 117 117 VAL CA C 13 64.532 0.077 . 1 . . . . 117 VAL CA . 15803 1 1301 . 1 1 117 117 VAL CB C 13 31.995 0.054 . 1 . . . . 117 VAL CB . 15803 1 1302 . 1 1 117 117 VAL CG1 C 13 22.184 0.065 . 2 . . . . 117 VAL CG1 . 15803 1 1303 . 1 1 117 117 VAL CG2 C 13 21.816 0.079 . 2 . . . . 117 VAL CG2 . 15803 1 1304 . 1 1 117 117 VAL N N 15 116.195 0.071 . 1 . . . . 117 VAL N . 15803 1 1305 . 1 1 118 118 LYS H H 1 7.854 0.007 . 1 . . . . 118 LYS H . 15803 1 1306 . 1 1 118 118 LYS HA H 1 4.569 0.010 . 1 . . . . 118 LYS HA . 15803 1 1307 . 1 1 118 118 LYS HB2 H 1 1.639 0.009 . 2 . . . . 118 LYS HB2 . 15803 1 1308 . 1 1 118 118 LYS HB3 H 1 1.936 0.009 . 2 . . . . 118 LYS HB3 . 15803 1 1309 . 1 1 118 118 LYS HD2 H 1 1.776 0.014 . 2 . . . . 118 LYS HD2 . 15803 1 1310 . 1 1 118 118 LYS HD3 H 1 1.802 0.010 . 2 . . . . 118 LYS HD3 . 15803 1 1311 . 1 1 118 118 LYS HE2 H 1 3.088 0.008 . 2 . . . . 118 LYS HE2 . 15803 1 1312 . 1 1 118 118 LYS HE3 H 1 3.222 0.005 . 2 . . . . 118 LYS HE3 . 15803 1 1313 . 1 1 118 118 LYS HG2 H 1 1.453 0.004 . 2 . . . . 118 LYS HG2 . 15803 1 1314 . 1 1 118 118 LYS HG3 H 1 1.282 0.016 . 2 . . . . 118 LYS HG3 . 15803 1 1315 . 1 1 118 118 LYS C C 13 174.194 0.000 . 1 . . . . 118 LYS C . 15803 1 1316 . 1 1 118 118 LYS CA C 13 54.210 0.002 . 1 . . . . 118 LYS CA . 15803 1 1317 . 1 1 118 118 LYS CB C 13 30.360 0.082 . 1 . . . . 118 LYS CB . 15803 1 1318 . 1 1 118 118 LYS CD C 13 28.473 0.059 . 1 . . . . 118 LYS CD . 15803 1 1319 . 1 1 118 118 LYS CE C 13 42.110 0.145 . 1 . . . . 118 LYS CE . 15803 1 1320 . 1 1 118 118 LYS CG C 13 24.038 0.076 . 1 . . . . 118 LYS CG . 15803 1 1321 . 1 1 118 118 LYS N N 15 120.034 0.028 . 1 . . . . 118 LYS N . 15803 1 1322 . 1 1 119 119 ALA H H 1 7.011 0.004 . 1 . . . . 119 ALA H . 15803 1 1323 . 1 1 119 119 ALA HA H 1 4.037 0.002 . 1 . . . . 119 ALA HA . 15803 1 1324 . 1 1 119 119 ALA HB1 H 1 1.420 0.002 . 1 . . . . 119 ALA HB1 . 15803 1 1325 . 1 1 119 119 ALA HB2 H 1 1.420 0.002 . 1 . . . . 119 ALA HB2 . 15803 1 1326 . 1 1 119 119 ALA HB3 H 1 1.420 0.002 . 1 . . . . 119 ALA HB3 . 15803 1 1327 . 1 1 119 119 ALA C C 13 175.986 0.000 . 1 . . . . 119 ALA C . 15803 1 1328 . 1 1 119 119 ALA CA C 13 54.613 0.079 . 1 . . . . 119 ALA CA . 15803 1 1329 . 1 1 119 119 ALA CB C 13 18.957 0.013 . 1 . . . . 119 ALA CB . 15803 1 1330 . 1 1 119 119 ALA N N 15 120.860 0.029 . 1 . . . . 119 ALA N . 15803 1 1331 . 1 1 120 120 GLU H H 1 8.737 0.004 . 1 . . . . 120 GLU H . 15803 1 1332 . 1 1 120 120 GLU HA H 1 4.196 0.005 . 1 . . . . 120 GLU HA . 15803 1 1333 . 1 1 120 120 GLU HB2 H 1 2.101 0.006 . 2 . . . . 120 GLU HB2 . 15803 1 1334 . 1 1 120 120 GLU HB3 H 1 1.920 0.009 . 2 . . . . 120 GLU HB3 . 15803 1 1335 . 1 1 120 120 GLU HG2 H 1 2.176 0.010 . 2 . . . . 120 GLU HG2 . 15803 1 1336 . 1 1 120 120 GLU HG3 H 1 2.181 0.006 . 2 . . . . 120 GLU HG3 . 15803 1 1337 . 1 1 120 120 GLU C C 13 174.206 0.000 . 1 . . . . 120 GLU C . 15803 1 1338 . 1 1 120 120 GLU CA C 13 56.891 0.031 . 1 . . . . 120 GLU CA . 15803 1 1339 . 1 1 120 120 GLU CB C 13 29.472 0.069 . 1 . . . . 120 GLU CB . 15803 1 1340 . 1 1 120 120 GLU CG C 13 36.404 0.079 . 1 . . . . 120 GLU CG . 15803 1 1341 . 1 1 120 120 GLU N N 15 115.564 0.035 . 1 . . . . 120 GLU N . 15803 1 1342 . 1 1 121 121 GLU H H 1 7.920 0.004 . 1 . . . . 121 GLU H . 15803 1 1343 . 1 1 121 121 GLU HA H 1 4.310 0.005 . 1 . . . . 121 GLU HA . 15803 1 1344 . 1 1 121 121 GLU HB2 H 1 1.930 0.007 . 2 . . . . 121 GLU HB2 . 15803 1 1345 . 1 1 121 121 GLU HB3 H 1 1.930 0.007 . 2 . . . . 121 GLU HB3 . 15803 1 1346 . 1 1 121 121 GLU HG2 H 1 2.180 0.004 . 2 . . . . 121 GLU HG2 . 15803 1 1347 . 1 1 121 121 GLU HG3 H 1 2.178 0.005 . 2 . . . . 121 GLU HG3 . 15803 1 1348 . 1 1 121 121 GLU C C 13 173.191 0.000 . 1 . . . . 121 GLU C . 15803 1 1349 . 1 1 121 121 GLU CA C 13 55.703 0.049 . 1 . . . . 121 GLU CA . 15803 1 1350 . 1 1 121 121 GLU CB C 13 30.577 0.028 . 1 . . . . 121 GLU CB . 15803 1 1351 . 1 1 121 121 GLU CG C 13 36.308 0.050 . 1 . . . . 121 GLU CG . 15803 1 1352 . 1 1 121 121 GLU N N 15 119.444 0.100 . 1 . . . . 121 GLU N . 15803 1 1353 . 1 1 122 122 ASP H H 1 8.306 0.003 . 1 . . . . 122 ASP H . 15803 1 1354 . 1 1 122 122 ASP HA H 1 4.330 0.013 . 1 . . . . 122 ASP HA . 15803 1 1355 . 1 1 122 122 ASP HB2 H 1 2.612 0.003 . 2 . . . . 122 ASP HB2 . 15803 1 1356 . 1 1 122 122 ASP HB3 H 1 2.612 0.003 . 2 . . . . 122 ASP HB3 . 15803 1 1357 . 1 1 122 122 ASP C C 13 173.520 0.000 . 1 . . . . 122 ASP C . 15803 1 1358 . 1 1 122 122 ASP CA C 13 55.177 0.160 . 1 . . . . 122 ASP CA . 15803 1 1359 . 1 1 122 122 ASP CB C 13 41.646 0.044 . 1 . . . . 122 ASP CB . 15803 1 1360 . 1 1 122 122 ASP N N 15 120.581 0.071 . 1 . . . . 122 ASP N . 15803 1 1361 . 1 1 123 123 LYS H H 1 8.021 0.006 . 1 . . . . 123 LYS H . 15803 1 1362 . 1 1 123 123 LYS HA H 1 4.288 0.004 . 1 . . . . 123 LYS HA . 15803 1 1363 . 1 1 123 123 LYS HB2 H 1 1.678 0.006 . 2 . . . . 123 LYS HB2 . 15803 1 1364 . 1 1 123 123 LYS HB3 H 1 1.678 0.006 . 2 . . . . 123 LYS HB3 . 15803 1 1365 . 1 1 123 123 LYS HD2 H 1 1.616 0.005 . 2 . . . . 123 LYS HD2 . 15803 1 1366 . 1 1 123 123 LYS HD3 H 1 1.616 0.005 . 2 . . . . 123 LYS HD3 . 15803 1 1367 . 1 1 123 123 LYS HE2 H 1 2.936 0.001 . 2 . . . . 123 LYS HE2 . 15803 1 1368 . 1 1 123 123 LYS HE3 H 1 2.936 0.001 . 2 . . . . 123 LYS HE3 . 15803 1 1369 . 1 1 123 123 LYS HG2 H 1 1.267 0.003 . 2 . . . . 123 LYS HG2 . 15803 1 1370 . 1 1 123 123 LYS HG3 H 1 1.267 0.003 . 2 . . . . 123 LYS HG3 . 15803 1 1371 . 1 1 123 123 LYS C C 13 172.946 0.000 . 1 . . . . 123 LYS C . 15803 1 1372 . 1 1 123 123 LYS CA C 13 55.556 0.037 . 1 . . . . 123 LYS CA . 15803 1 1373 . 1 1 123 123 LYS CB C 13 33.211 0.020 . 1 . . . . 123 LYS CB . 15803 1 1374 . 1 1 123 123 LYS CD C 13 28.982 0.009 . 1 . . . . 123 LYS CD . 15803 1 1375 . 1 1 123 123 LYS CE C 13 42.186 0.007 . 1 . . . . 123 LYS CE . 15803 1 1376 . 1 1 123 123 LYS CG C 13 24.728 0.024 . 1 . . . . 123 LYS CG . 15803 1 1377 . 1 1 123 123 LYS N N 15 119.200 0.029 . 1 . . . . 123 LYS N . 15803 1 1378 . 1 1 124 124 ILE H H 1 8.307 0.007 . 1 . . . . 124 ILE H . 15803 1 1379 . 1 1 124 124 ILE HA H 1 4.384 0.010 . 1 . . . . 124 ILE HA . 15803 1 1380 . 1 1 124 124 ILE HB H 1 1.597 0.006 . 1 . . . . 124 ILE HB . 15803 1 1381 . 1 1 124 124 ILE HD11 H 1 0.682 0.005 . 1 . . . . 124 ILE HD11 . 15803 1 1382 . 1 1 124 124 ILE HD12 H 1 0.682 0.005 . 1 . . . . 124 ILE HD12 . 15803 1 1383 . 1 1 124 124 ILE HD13 H 1 0.682 0.005 . 1 . . . . 124 ILE HD13 . 15803 1 1384 . 1 1 124 124 ILE HG12 H 1 1.252 0.004 . 2 . . . . 124 ILE HG12 . 15803 1 1385 . 1 1 124 124 ILE HG13 H 1 0.983 0.006 . 2 . . . . 124 ILE HG13 . 15803 1 1386 . 1 1 124 124 ILE HG21 H 1 0.710 0.004 . 1 . . . . 124 ILE HG21 . 15803 1 1387 . 1 1 124 124 ILE HG22 H 1 0.710 0.004 . 1 . . . . 124 ILE HG22 . 15803 1 1388 . 1 1 124 124 ILE HG23 H 1 0.710 0.004 . 1 . . . . 124 ILE HG23 . 15803 1 1389 . 1 1 124 124 ILE CA C 13 57.608 0.058 . 1 . . . . 124 ILE CA . 15803 1 1390 . 1 1 124 124 ILE CB C 13 39.549 0.066 . 1 . . . . 124 ILE CB . 15803 1 1391 . 1 1 124 124 ILE CD1 C 13 14.274 0.032 . 1 . . . . 124 ILE CD1 . 15803 1 1392 . 1 1 124 124 ILE CG1 C 13 27.880 0.036 . 1 . . . . 124 ILE CG1 . 15803 1 1393 . 1 1 124 124 ILE CG2 C 13 17.849 0.069 . 1 . . . . 124 ILE CG2 . 15803 1 1394 . 1 1 124 124 ILE N N 15 125.195 0.009 . 1 . . . . 124 ILE N . 15803 1 1395 . 1 1 125 125 PRO HA H 1 4.395 0.008 . 1 . . . . 125 PRO HA . 15803 1 1396 . 1 1 125 125 PRO HB2 H 1 1.808 0.001 . 2 . . . . 125 PRO HB2 . 15803 1 1397 . 1 1 125 125 PRO HB3 H 1 2.218 0.000 . 2 . . . . 125 PRO HB3 . 15803 1 1398 . 1 1 125 125 PRO HD2 H 1 3.780 0.005 . 2 . . . . 125 PRO HD2 . 15803 1 1399 . 1 1 125 125 PRO HD3 H 1 3.608 0.004 . 2 . . . . 125 PRO HD3 . 15803 1 1400 . 1 1 125 125 PRO HG2 H 1 1.928 0.004 . 2 . . . . 125 PRO HG2 . 15803 1 1401 . 1 1 125 125 PRO HG3 H 1 1.929 0.008 . 2 . . . . 125 PRO HG3 . 15803 1 1402 . 1 1 125 125 PRO C C 13 172.494 0.000 . 1 . . . . 125 PRO C . 15803 1 1403 . 1 1 125 125 PRO CA C 13 63.723 0.050 . 1 . . . . 125 PRO CA . 15803 1 1404 . 1 1 125 125 PRO CB C 13 32.323 0.000 . 1 . . . . 125 PRO CB . 15803 1 1405 . 1 1 125 125 PRO CD C 13 50.961 0.048 . 1 . . . . 125 PRO CD . 15803 1 1406 . 1 1 125 125 PRO CG C 13 27.936 0.000 . 1 . . . . 125 PRO CG . 15803 1 1407 . 1 1 126 126 LEU H H 1 7.929 0.005 . 1 . . . . 126 LEU H . 15803 1 1408 . 1 1 126 126 LEU HA H 1 5.475 0.008 . 1 . . . . 126 LEU HA . 15803 1 1409 . 1 1 126 126 LEU HB2 H 1 1.634 0.005 . 2 . . . . 126 LEU HB2 . 15803 1 1410 . 1 1 126 126 LEU HB3 H 1 1.539 0.012 . 2 . . . . 126 LEU HB3 . 15803 1 1411 . 1 1 126 126 LEU HD11 H 1 0.593 0.009 . 2 . . . . 126 LEU HD11 . 15803 1 1412 . 1 1 126 126 LEU HD12 H 1 0.593 0.009 . 2 . . . . 126 LEU HD12 . 15803 1 1413 . 1 1 126 126 LEU HD13 H 1 0.593 0.009 . 2 . . . . 126 LEU HD13 . 15803 1 1414 . 1 1 126 126 LEU HD21 H 1 0.671 0.008 . 2 . . . . 126 LEU HD21 . 15803 1 1415 . 1 1 126 126 LEU HD22 H 1 0.671 0.008 . 2 . . . . 126 LEU HD22 . 15803 1 1416 . 1 1 126 126 LEU HD23 H 1 0.671 0.008 . 2 . . . . 126 LEU HD23 . 15803 1 1417 . 1 1 126 126 LEU HG H 1 1.624 0.004 . 1 . . . . 126 LEU HG . 15803 1 1418 . 1 1 126 126 LEU C C 13 171.990 0.000 . 1 . . . . 126 LEU C . 15803 1 1419 . 1 1 126 126 LEU CA C 13 55.024 0.046 . 1 . . . . 126 LEU CA . 15803 1 1420 . 1 1 126 126 LEU CB C 13 45.668 0.045 . 1 . . . . 126 LEU CB . 15803 1 1421 . 1 1 126 126 LEU CD1 C 13 26.303 0.052 . 2 . . . . 126 LEU CD1 . 15803 1 1422 . 1 1 126 126 LEU CD2 C 13 25.871 0.073 . 2 . . . . 126 LEU CD2 . 15803 1 1423 . 1 1 126 126 LEU CG C 13 26.878 0.118 . 1 . . . . 126 LEU CG . 15803 1 1424 . 1 1 126 126 LEU N N 15 127.899 0.028 . 1 . . . . 126 LEU N . 15803 1 1425 . 1 1 127 127 LEU H H 1 8.238 0.007 . 1 . . . . 127 LEU H . 15803 1 1426 . 1 1 127 127 LEU HA H 1 4.650 0.005 . 1 . . . . 127 LEU HA . 15803 1 1427 . 1 1 127 127 LEU HB2 H 1 1.313 0.005 . 2 . . . . 127 LEU HB2 . 15803 1 1428 . 1 1 127 127 LEU HB3 H 1 1.460 0.002 . 2 . . . . 127 LEU HB3 . 15803 1 1429 . 1 1 127 127 LEU HD11 H 1 0.670 0.007 . 2 . . . . 127 LEU HD11 . 15803 1 1430 . 1 1 127 127 LEU HD12 H 1 0.670 0.007 . 2 . . . . 127 LEU HD12 . 15803 1 1431 . 1 1 127 127 LEU HD13 H 1 0.670 0.007 . 2 . . . . 127 LEU HD13 . 15803 1 1432 . 1 1 127 127 LEU HD21 H 1 0.748 0.009 . 2 . . . . 127 LEU HD21 . 15803 1 1433 . 1 1 127 127 LEU HD22 H 1 0.748 0.009 . 2 . . . . 127 LEU HD22 . 15803 1 1434 . 1 1 127 127 LEU HD23 H 1 0.748 0.009 . 2 . . . . 127 LEU HD23 . 15803 1 1435 . 1 1 127 127 LEU HG H 1 1.617 0.003 . 1 . . . . 127 LEU HG . 15803 1 1436 . 1 1 127 127 LEU C C 13 172.275 0.000 . 1 . . . . 127 LEU C . 15803 1 1437 . 1 1 127 127 LEU CA C 13 55.860 0.037 . 1 . . . . 127 LEU CA . 15803 1 1438 . 1 1 127 127 LEU CB C 13 46.476 0.021 . 1 . . . . 127 LEU CB . 15803 1 1439 . 1 1 127 127 LEU CD1 C 13 26.009 0.086 . 2 . . . . 127 LEU CD1 . 15803 1 1440 . 1 1 127 127 LEU CD2 C 13 26.100 0.050 . 2 . . . . 127 LEU CD2 . 15803 1 1441 . 1 1 127 127 LEU CG C 13 28.993 0.012 . 1 . . . . 127 LEU CG . 15803 1 1442 . 1 1 127 127 LEU N N 15 125.544 0.059 . 1 . . . . 127 LEU N . 15803 1 1443 . 1 1 128 128 VAL H H 1 8.297 0.007 . 1 . . . . 128 VAL H . 15803 1 1444 . 1 1 128 128 VAL HA H 1 4.916 0.006 . 1 . . . . 128 VAL HA . 15803 1 1445 . 1 1 128 128 VAL HB H 1 2.314 0.004 . 1 . . . . 128 VAL HB . 15803 1 1446 . 1 1 128 128 VAL HG11 H 1 1.409 0.006 . 2 . . . . 128 VAL HG11 . 15803 1 1447 . 1 1 128 128 VAL HG12 H 1 1.409 0.006 . 2 . . . . 128 VAL HG12 . 15803 1 1448 . 1 1 128 128 VAL HG13 H 1 1.409 0.006 . 2 . . . . 128 VAL HG13 . 15803 1 1449 . 1 1 128 128 VAL HG21 H 1 1.224 0.004 . 2 . . . . 128 VAL HG21 . 15803 1 1450 . 1 1 128 128 VAL HG22 H 1 1.224 0.004 . 2 . . . . 128 VAL HG22 . 15803 1 1451 . 1 1 128 128 VAL HG23 H 1 1.224 0.004 . 2 . . . . 128 VAL HG23 . 15803 1 1452 . 1 1 128 128 VAL C C 13 170.785 0.000 . 1 . . . . 128 VAL C . 15803 1 1453 . 1 1 128 128 VAL CA C 13 62.200 0.068 . 1 . . . . 128 VAL CA . 15803 1 1454 . 1 1 128 128 VAL CB C 13 32.610 0.042 . 1 . . . . 128 VAL CB . 15803 1 1455 . 1 1 128 128 VAL CG1 C 13 22.121 0.043 . 2 . . . . 128 VAL CG1 . 15803 1 1456 . 1 1 128 128 VAL CG2 C 13 22.973 0.048 . 2 . . . . 128 VAL CG2 . 15803 1 1457 . 1 1 128 128 VAL N N 15 124.427 0.028 . 1 . . . . 128 VAL N . 15803 1 1458 . 1 1 129 129 VAL H H 1 9.138 0.009 . 1 . . . . 129 VAL H . 15803 1 1459 . 1 1 129 129 VAL HA H 1 4.845 0.011 . 1 . . . . 129 VAL HA . 15803 1 1460 . 1 1 129 129 VAL HB H 1 1.728 0.006 . 1 . . . . 129 VAL HB . 15803 1 1461 . 1 1 129 129 VAL HG11 H 1 0.547 0.008 . 2 . . . . 129 VAL HG11 . 15803 1 1462 . 1 1 129 129 VAL HG12 H 1 0.547 0.008 . 2 . . . . 129 VAL HG12 . 15803 1 1463 . 1 1 129 129 VAL HG13 H 1 0.547 0.008 . 2 . . . . 129 VAL HG13 . 15803 1 1464 . 1 1 129 129 VAL HG21 H 1 0.656 0.005 . 2 . . . . 129 VAL HG21 . 15803 1 1465 . 1 1 129 129 VAL HG22 H 1 0.656 0.005 . 2 . . . . 129 VAL HG22 . 15803 1 1466 . 1 1 129 129 VAL HG23 H 1 0.656 0.005 . 2 . . . . 129 VAL HG23 . 15803 1 1467 . 1 1 129 129 VAL C C 13 171.620 0.000 . 1 . . . . 129 VAL C . 15803 1 1468 . 1 1 129 129 VAL CA C 13 60.050 0.020 . 1 . . . . 129 VAL CA . 15803 1 1469 . 1 1 129 129 VAL CB C 13 34.895 0.030 . 1 . . . . 129 VAL CB . 15803 1 1470 . 1 1 129 129 VAL CG1 C 13 22.562 0.022 . 2 . . . . 129 VAL CG1 . 15803 1 1471 . 1 1 129 129 VAL CG2 C 13 23.509 0.091 . 2 . . . . 129 VAL CG2 . 15803 1 1472 . 1 1 129 129 VAL N N 15 128.652 0.053 . 1 . . . . 129 VAL N . 15803 1 1473 . 1 1 130 130 GLY H H 1 8.257 0.004 . 1 . . . . 130 GLY H . 15803 1 1474 . 1 1 130 130 GLY HA2 H 1 2.697 0.009 . 2 . . . . 130 GLY HA2 . 15803 1 1475 . 1 1 130 130 GLY HA3 H 1 2.943 0.012 . 2 . . . . 130 GLY HA3 . 15803 1 1476 . 1 1 130 130 GLY CA C 13 44.952 0.082 . 1 . . . . 130 GLY CA . 15803 1 1477 . 1 1 130 130 GLY N N 15 114.819 0.087 . 1 . . . . 130 GLY N . 15803 1 1478 . 1 1 131 131 ASN H H 1 8.690 0.009 . 1 . . . . 131 ASN H . 15803 1 1479 . 1 1 131 131 ASN HA H 1 5.477 0.008 . 1 . . . . 131 ASN HA . 15803 1 1480 . 1 1 131 131 ASN HB2 H 1 2.113 0.008 . 2 . . . . 131 ASN HB2 . 15803 1 1481 . 1 1 131 131 ASN HB3 H 1 2.595 0.006 . 2 . . . . 131 ASN HB3 . 15803 1 1482 . 1 1 131 131 ASN HD21 H 1 7.543 0.004 . 1 . . . . 131 ASN HD21 . 15803 1 1483 . 1 1 131 131 ASN HD22 H 1 8.785 0.006 . 1 . . . . 131 ASN HD22 . 15803 1 1484 . 1 1 131 131 ASN C C 13 171.921 0.000 . 1 . . . . 131 ASN C . 15803 1 1485 . 1 1 131 131 ASN CA C 13 51.440 0.070 . 1 . . . . 131 ASN CA . 15803 1 1486 . 1 1 131 131 ASN CB C 13 40.947 0.085 . 1 . . . . 131 ASN CB . 15803 1 1487 . 1 1 131 131 ASN N N 15 121.537 0.046 . 1 . . . . 131 ASN N . 15803 1 1488 . 1 1 131 131 ASN ND2 N 15 120.999 0.034 . 1 . . . . 131 ASN ND2 . 15803 1 1489 . 1 1 132 132 LYS H H 1 7.197 0.007 . 1 . . . . 132 LYS H . 15803 1 1490 . 1 1 132 132 LYS HA H 1 4.147 0.013 . 1 . . . . 132 LYS HA . 15803 1 1491 . 1 1 132 132 LYS HB2 H 1 2.534 0.008 . 2 . . . . 132 LYS HB2 . 15803 1 1492 . 1 1 132 132 LYS HB3 H 1 1.422 0.005 . 2 . . . . 132 LYS HB3 . 15803 1 1493 . 1 1 132 132 LYS HD2 H 1 0.861 0.006 . 1 . . . . 132 LYS HD2 . 15803 1 1494 . 1 1 132 132 LYS HD3 H 1 0.861 0.006 . 1 . . . . 132 LYS HD3 . 15803 1 1495 . 1 1 132 132 LYS C C 13 175.700 0.000 . 1 . . . . 132 LYS C . 15803 1 1496 . 1 1 132 132 LYS CA C 13 57.487 0.091 . 1 . . . . 132 LYS CA . 15803 1 1497 . 1 1 132 132 LYS CB C 13 28.962 0.090 . 1 . . . . 132 LYS CB . 15803 1 1498 . 1 1 132 132 LYS CD C 13 26.650 0.069 . 1 . . . . 132 LYS CD . 15803 1 1499 . 1 1 132 132 LYS N N 15 110.605 0.087 . 1 . . . . 132 LYS N . 15803 1 1500 . 1 1 133 133 SER H H 1 9.154 0.003 . 1 . . . . 133 SER H . 15803 1 1501 . 1 1 133 133 SER HA H 1 3.781 0.005 . 1 . . . . 133 SER HA . 15803 1 1502 . 1 1 133 133 SER HB2 H 1 3.498 0.004 . 2 . . . . 133 SER HB2 . 15803 1 1503 . 1 1 133 133 SER HB3 H 1 3.966 0.005 . 2 . . . . 133 SER HB3 . 15803 1 1504 . 1 1 133 133 SER C C 13 172.165 0.000 . 1 . . . . 133 SER C . 15803 1 1505 . 1 1 133 133 SER CA C 13 60.625 0.097 . 1 . . . . 133 SER CA . 15803 1 1506 . 1 1 133 133 SER CB C 13 62.801 0.078 . 1 . . . . 133 SER CB . 15803 1 1507 . 1 1 133 133 SER N N 15 114.308 0.047 . 1 . . . . 133 SER N . 15803 1 1508 . 1 1 134 134 ASP H H 1 8.654 0.005 . 1 . . . . 134 ASP H . 15803 1 1509 . 1 1 134 134 ASP HA H 1 4.471 0.007 . 1 . . . . 134 ASP HA . 15803 1 1510 . 1 1 134 134 ASP HB2 H 1 2.614 0.005 . 2 . . . . 134 ASP HB2 . 15803 1 1511 . 1 1 134 134 ASP HB3 H 1 2.541 0.012 . 2 . . . . 134 ASP HB3 . 15803 1 1512 . 1 1 134 134 ASP C C 13 173.879 0.000 . 1 . . . . 134 ASP C . 15803 1 1513 . 1 1 134 134 ASP CA C 13 54.805 0.017 . 1 . . . . 134 ASP CA . 15803 1 1514 . 1 1 134 134 ASP CB C 13 40.133 0.032 . 1 . . . . 134 ASP CB . 15803 1 1515 . 1 1 134 134 ASP N N 15 116.742 0.044 . 1 . . . . 134 ASP N . 15803 1 1516 . 1 1 135 135 LEU H H 1 8.012 0.003 . 1 . . . . 135 LEU H . 15803 1 1517 . 1 1 135 135 LEU HA H 1 4.661 0.004 . 1 . . . . 135 LEU HA . 15803 1 1518 . 1 1 135 135 LEU HB2 H 1 1.281 0.009 . 2 . . . . 135 LEU HB2 . 15803 1 1519 . 1 1 135 135 LEU HB3 H 1 1.830 0.006 . 2 . . . . 135 LEU HB3 . 15803 1 1520 . 1 1 135 135 LEU HD11 H 1 0.652 0.004 . 2 . . . . 135 LEU HD11 . 15803 1 1521 . 1 1 135 135 LEU HD12 H 1 0.652 0.004 . 2 . . . . 135 LEU HD12 . 15803 1 1522 . 1 1 135 135 LEU HD13 H 1 0.652 0.004 . 2 . . . . 135 LEU HD13 . 15803 1 1523 . 1 1 135 135 LEU HD21 H 1 0.864 0.005 . 2 . . . . 135 LEU HD21 . 15803 1 1524 . 1 1 135 135 LEU HD22 H 1 0.864 0.005 . 2 . . . . 135 LEU HD22 . 15803 1 1525 . 1 1 135 135 LEU HD23 H 1 0.864 0.005 . 2 . . . . 135 LEU HD23 . 15803 1 1526 . 1 1 135 135 LEU HG H 1 1.449 0.004 . 1 . . . . 135 LEU HG . 15803 1 1527 . 1 1 135 135 LEU C C 13 174.303 0.000 . 1 . . . . 135 LEU C . 15803 1 1528 . 1 1 135 135 LEU CA C 13 53.230 0.052 . 1 . . . . 135 LEU CA . 15803 1 1529 . 1 1 135 135 LEU CB C 13 39.945 0.080 . 1 . . . . 135 LEU CB . 15803 1 1530 . 1 1 135 135 LEU CD1 C 13 22.589 0.069 . 2 . . . . 135 LEU CD1 . 15803 1 1531 . 1 1 135 135 LEU CD2 C 13 26.698 0.037 . 2 . . . . 135 LEU CD2 . 15803 1 1532 . 1 1 135 135 LEU CG C 13 25.727 0.117 . 1 . . . . 135 LEU CG . 15803 1 1533 . 1 1 135 135 LEU N N 15 122.958 0.089 . 1 . . . . 135 LEU N . 15803 1 1534 . 1 1 136 136 GLU H H 1 6.617 0.002 . 1 . . . . 136 GLU H . 15803 1 1535 . 1 1 136 136 GLU HA H 1 3.674 0.007 . 1 . . . . 136 GLU HA . 15803 1 1536 . 1 1 136 136 GLU HB2 H 1 2.154 0.007 . 2 . . . . 136 GLU HB2 . 15803 1 1537 . 1 1 136 136 GLU HB3 H 1 1.816 0.005 . 2 . . . . 136 GLU HB3 . 15803 1 1538 . 1 1 136 136 GLU HG2 H 1 2.383 0.004 . 2 . . . . 136 GLU HG2 . 15803 1 1539 . 1 1 136 136 GLU HG3 H 1 2.064 0.009 . 2 . . . . 136 GLU HG3 . 15803 1 1540 . 1 1 136 136 GLU C C 13 175.812 0.000 . 1 . . . . 136 GLU C . 15803 1 1541 . 1 1 136 136 GLU CA C 13 59.358 0.026 . 1 . . . . 136 GLU CA . 15803 1 1542 . 1 1 136 136 GLU CB C 13 30.180 0.061 . 1 . . . . 136 GLU CB . 15803 1 1543 . 1 1 136 136 GLU CG C 13 34.502 0.066 . 1 . . . . 136 GLU CG . 15803 1 1544 . 1 1 136 136 GLU N N 15 119.289 0.062 . 1 . . . . 136 GLU N . 15803 1 1545 . 1 1 137 137 GLU H H 1 9.122 0.003 . 1 . . . . 137 GLU H . 15803 1 1546 . 1 1 137 137 GLU HA H 1 4.110 0.006 . 1 . . . . 137 GLU HA . 15803 1 1547 . 1 1 137 137 GLU HB2 H 1 1.984 0.004 . 2 . . . . 137 GLU HB2 . 15803 1 1548 . 1 1 137 137 GLU HB3 H 1 1.984 0.004 . 2 . . . . 137 GLU HB3 . 15803 1 1549 . 1 1 137 137 GLU HG2 H 1 2.181 0.019 . 2 . . . . 137 GLU HG2 . 15803 1 1550 . 1 1 137 137 GLU HG3 H 1 2.250 0.026 . 2 . . . . 137 GLU HG3 . 15803 1 1551 . 1 1 137 137 GLU C C 13 174.709 0.000 . 1 . . . . 137 GLU C . 15803 1 1552 . 1 1 137 137 GLU CA C 13 58.722 0.018 . 1 . . . . 137 GLU CA . 15803 1 1553 . 1 1 137 137 GLU CB C 13 28.919 0.047 . 1 . . . . 137 GLU CB . 15803 1 1554 . 1 1 137 137 GLU CG C 13 36.223 0.052 . 1 . . . . 137 GLU CG . 15803 1 1555 . 1 1 137 137 GLU N N 15 116.893 0.066 . 1 . . . . 137 GLU N . 15803 1 1556 . 1 1 138 138 ARG H H 1 7.914 0.004 . 1 . . . . 138 ARG H . 15803 1 1557 . 1 1 138 138 ARG HA H 1 4.506 0.003 . 1 . . . . 138 ARG HA . 15803 1 1558 . 1 1 138 138 ARG HB2 H 1 1.629 0.013 . 2 . . . . 138 ARG HB2 . 15803 1 1559 . 1 1 138 138 ARG HB3 H 1 2.219 0.010 . 2 . . . . 138 ARG HB3 . 15803 1 1560 . 1 1 138 138 ARG HD2 H 1 3.156 0.004 . 2 . . . . 138 ARG HD2 . 15803 1 1561 . 1 1 138 138 ARG HD3 H 1 3.156 0.004 . 2 . . . . 138 ARG HD3 . 15803 1 1562 . 1 1 138 138 ARG HG2 H 1 1.554 0.006 . 2 . . . . 138 ARG HG2 . 15803 1 1563 . 1 1 138 138 ARG HG3 H 1 1.554 0.006 . 2 . . . . 138 ARG HG3 . 15803 1 1564 . 1 1 138 138 ARG C C 13 173.197 0.000 . 1 . . . . 138 ARG C . 15803 1 1565 . 1 1 138 138 ARG CA C 13 54.144 0.021 . 1 . . . . 138 ARG CA . 15803 1 1566 . 1 1 138 138 ARG CB C 13 30.356 0.073 . 1 . . . . 138 ARG CB . 15803 1 1567 . 1 1 138 138 ARG CD C 13 43.685 0.031 . 1 . . . . 138 ARG CD . 15803 1 1568 . 1 1 138 138 ARG CG C 13 27.211 0.032 . 1 . . . . 138 ARG CG . 15803 1 1569 . 1 1 138 138 ARG N N 15 117.314 0.094 . 1 . . . . 138 ARG N . 15803 1 1570 . 1 1 139 139 ARG H H 1 7.408 0.006 . 1 . . . . 139 ARG H . 15803 1 1571 . 1 1 139 139 ARG HA H 1 3.459 0.005 . 1 . . . . 139 ARG HA . 15803 1 1572 . 1 1 139 139 ARG HB2 H 1 1.954 0.008 . 2 . . . . 139 ARG HB2 . 15803 1 1573 . 1 1 139 139 ARG HB3 H 1 1.550 0.006 . 2 . . . . 139 ARG HB3 . 15803 1 1574 . 1 1 139 139 ARG HD2 H 1 2.853 0.009 . 2 . . . . 139 ARG HD2 . 15803 1 1575 . 1 1 139 139 ARG HD3 H 1 3.569 0.001 . 2 . . . . 139 ARG HD3 . 15803 1 1576 . 1 1 139 139 ARG HE H 1 8.160 0.014 . 1 . . . . 139 ARG HE . 15803 1 1577 . 1 1 139 139 ARG HG2 H 1 1.090 0.000 . 2 . . . . 139 ARG HG2 . 15803 1 1578 . 1 1 139 139 ARG HG3 H 1 1.287 0.007 . 2 . . . . 139 ARG HG3 . 15803 1 1579 . 1 1 139 139 ARG C C 13 174.474 0.000 . 1 . . . . 139 ARG C . 15803 1 1580 . 1 1 139 139 ARG CA C 13 58.810 0.085 . 1 . . . . 139 ARG CA . 15803 1 1581 . 1 1 139 139 ARG CB C 13 31.769 0.056 . 1 . . . . 139 ARG CB . 15803 1 1582 . 1 1 139 139 ARG CD C 13 43.519 0.082 . 1 . . . . 139 ARG CD . 15803 1 1583 . 1 1 139 139 ARG N N 15 120.315 0.069 . 1 . . . . 139 ARG N . 15803 1 1584 . 1 1 139 139 ARG NE N 15 79.979 0.072 . 1 . . . . 139 ARG NE . 15803 1 1585 . 1 1 140 140 GLN H H 1 9.524 0.004 . 1 . . . . 140 GLN H . 15803 1 1586 . 1 1 140 140 GLN HA H 1 4.542 0.004 . 1 . . . . 140 GLN HA . 15803 1 1587 . 1 1 140 140 GLN HB2 H 1 1.457 0.009 . 2 . . . . 140 GLN HB2 . 15803 1 1588 . 1 1 140 140 GLN HB3 H 1 1.457 0.009 . 2 . . . . 140 GLN HB3 . 15803 1 1589 . 1 1 140 140 GLN HE21 H 1 6.976 0.002 . 1 . . . . 140 GLN HE21 . 15803 1 1590 . 1 1 140 140 GLN HE22 H 1 7.369 0.002 . 1 . . . . 140 GLN HE22 . 15803 1 1591 . 1 1 140 140 GLN HG2 H 1 2.452 0.004 . 2 . . . . 140 GLN HG2 . 15803 1 1592 . 1 1 140 140 GLN HG3 H 1 2.650 0.005 . 2 . . . . 140 GLN HG3 . 15803 1 1593 . 1 1 140 140 GLN C C 13 172.552 0.000 . 1 . . . . 140 GLN C . 15803 1 1594 . 1 1 140 140 GLN CA C 13 55.103 0.011 . 1 . . . . 140 GLN CA . 15803 1 1595 . 1 1 140 140 GLN CB C 13 32.550 0.041 . 1 . . . . 140 GLN CB . 15803 1 1596 . 1 1 140 140 GLN CG C 13 33.968 0.049 . 1 . . . . 140 GLN CG . 15803 1 1597 . 1 1 140 140 GLN N N 15 123.915 0.062 . 1 . . . . 140 GLN N . 15803 1 1598 . 1 1 140 140 GLN NE2 N 15 110.883 0.035 . 1 . . . . 140 GLN NE2 . 15803 1 1599 . 1 1 141 141 VAL H H 1 7.149 0.010 . 1 . . . . 141 VAL H . 15803 1 1600 . 1 1 141 141 VAL HA H 1 4.386 0.010 . 1 . . . . 141 VAL HA . 15803 1 1601 . 1 1 141 141 VAL HB H 1 2.036 0.006 . 1 . . . . 141 VAL HB . 15803 1 1602 . 1 1 141 141 VAL HG11 H 1 -0.051 0.004 . 2 . . . . 141 VAL HG11 . 15803 1 1603 . 1 1 141 141 VAL HG12 H 1 -0.051 0.004 . 2 . . . . 141 VAL HG12 . 15803 1 1604 . 1 1 141 141 VAL HG13 H 1 -0.051 0.004 . 2 . . . . 141 VAL HG13 . 15803 1 1605 . 1 1 141 141 VAL HG21 H 1 0.711 0.005 . 2 . . . . 141 VAL HG21 . 15803 1 1606 . 1 1 141 141 VAL HG22 H 1 0.711 0.005 . 2 . . . . 141 VAL HG22 . 15803 1 1607 . 1 1 141 141 VAL HG23 H 1 0.711 0.005 . 2 . . . . 141 VAL HG23 . 15803 1 1608 . 1 1 141 141 VAL CA C 13 58.851 0.044 . 1 . . . . 141 VAL CA . 15803 1 1609 . 1 1 141 141 VAL CB C 13 33.147 0.031 . 1 . . . . 141 VAL CB . 15803 1 1610 . 1 1 141 141 VAL CG1 C 13 19.577 0.040 . 2 . . . . 141 VAL CG1 . 15803 1 1611 . 1 1 141 141 VAL CG2 C 13 20.370 0.075 . 2 . . . . 141 VAL CG2 . 15803 1 1612 . 1 1 141 141 VAL N N 15 120.645 0.051 . 1 . . . . 141 VAL N . 15803 1 1613 . 1 1 142 142 PRO HA H 1 4.377 0.004 . 1 . . . . 142 PRO HA . 15803 1 1614 . 1 1 142 142 PRO HB2 H 1 1.671 0.003 . 2 . . . . 142 PRO HB2 . 15803 1 1615 . 1 1 142 142 PRO HB3 H 1 2.376 0.004 . 2 . . . . 142 PRO HB3 . 15803 1 1616 . 1 1 142 142 PRO HD2 H 1 3.969 0.006 . 2 . . . . 142 PRO HD2 . 15803 1 1617 . 1 1 142 142 PRO HD3 H 1 3.767 0.006 . 2 . . . . 142 PRO HD3 . 15803 1 1618 . 1 1 142 142 PRO HG2 H 1 1.797 0.005 . 2 . . . . 142 PRO HG2 . 15803 1 1619 . 1 1 142 142 PRO HG3 H 1 2.015 0.004 . 2 . . . . 142 PRO HG3 . 15803 1 1620 . 1 1 142 142 PRO C C 13 174.817 0.000 . 1 . . . . 142 PRO C . 15803 1 1621 . 1 1 142 142 PRO CA C 13 62.581 0.060 . 1 . . . . 142 PRO CA . 15803 1 1622 . 1 1 142 142 PRO CB C 13 32.610 0.077 . 1 . . . . 142 PRO CB . 15803 1 1623 . 1 1 142 142 PRO CD C 13 50.825 0.078 . 1 . . . . 142 PRO CD . 15803 1 1624 . 1 1 142 142 PRO CG C 13 27.613 0.052 . 1 . . . . 142 PRO CG . 15803 1 1625 . 1 1 143 143 VAL H H 1 8.770 0.006 . 1 . . . . 143 VAL H . 15803 1 1626 . 1 1 143 143 VAL HA H 1 3.482 0.006 . 1 . . . . 143 VAL HA . 15803 1 1627 . 1 1 143 143 VAL HB H 1 1.914 0.003 . 1 . . . . 143 VAL HB . 15803 1 1628 . 1 1 143 143 VAL HG11 H 1 1.167 0.008 . 2 . . . . 143 VAL HG11 . 15803 1 1629 . 1 1 143 143 VAL HG12 H 1 1.167 0.008 . 2 . . . . 143 VAL HG12 . 15803 1 1630 . 1 1 143 143 VAL HG13 H 1 1.167 0.008 . 2 . . . . 143 VAL HG13 . 15803 1 1631 . 1 1 143 143 VAL HG21 H 1 0.925 0.005 . 2 . . . . 143 VAL HG21 . 15803 1 1632 . 1 1 143 143 VAL HG22 H 1 0.925 0.005 . 2 . . . . 143 VAL HG22 . 15803 1 1633 . 1 1 143 143 VAL HG23 H 1 0.925 0.005 . 2 . . . . 143 VAL HG23 . 15803 1 1634 . 1 1 143 143 VAL C C 13 175.331 0.000 . 1 . . . . 143 VAL C . 15803 1 1635 . 1 1 143 143 VAL CA C 13 66.366 0.076 . 1 . . . . 143 VAL CA . 15803 1 1636 . 1 1 143 143 VAL CB C 13 32.128 0.022 . 1 . . . . 143 VAL CB . 15803 1 1637 . 1 1 143 143 VAL CG1 C 13 22.193 0.094 . 2 . . . . 143 VAL CG1 . 15803 1 1638 . 1 1 143 143 VAL CG2 C 13 21.078 0.047 . 2 . . . . 143 VAL CG2 . 15803 1 1639 . 1 1 143 143 VAL N N 15 125.730 0.035 . 1 . . . . 143 VAL N . 15803 1 1640 . 1 1 144 144 GLU H H 1 8.801 0.004 . 1 . . . . 144 GLU H . 15803 1 1641 . 1 1 144 144 GLU HA H 1 3.841 0.003 . 1 . . . . 144 GLU HA . 15803 1 1642 . 1 1 144 144 GLU HB2 H 1 1.846 0.006 . 2 . . . . 144 GLU HB2 . 15803 1 1643 . 1 1 144 144 GLU HB3 H 1 1.846 0.006 . 2 . . . . 144 GLU HB3 . 15803 1 1644 . 1 1 144 144 GLU HG2 H 1 2.170 0.010 . 2 . . . . 144 GLU HG2 . 15803 1 1645 . 1 1 144 144 GLU HG3 H 1 2.248 0.010 . 2 . . . . 144 GLU HG3 . 15803 1 1646 . 1 1 144 144 GLU C C 13 176.595 0.000 . 1 . . . . 144 GLU C . 15803 1 1647 . 1 1 144 144 GLU CA C 13 59.293 0.040 . 1 . . . . 144 GLU CA . 15803 1 1648 . 1 1 144 144 GLU CB C 13 28.818 0.075 . 1 . . . . 144 GLU CB . 15803 1 1649 . 1 1 144 144 GLU CG C 13 36.064 0.022 . 1 . . . . 144 GLU CG . 15803 1 1650 . 1 1 144 144 GLU N N 15 114.287 0.043 . 1 . . . . 144 GLU N . 15803 1 1651 . 1 1 145 145 GLU H H 1 6.968 0.004 . 1 . . . . 145 GLU H . 15803 1 1652 . 1 1 145 145 GLU HA H 1 3.794 0.005 . 1 . . . . 145 GLU HA . 15803 1 1653 . 1 1 145 145 GLU HB2 H 1 1.774 0.007 . 1 . . . . 145 GLU HB2 . 15803 1 1654 . 1 1 145 145 GLU HB3 H 1 1.774 0.007 . 1 . . . . 145 GLU HB3 . 15803 1 1655 . 1 1 145 145 GLU HG2 H 1 1.760 0.005 . 2 . . . . 145 GLU HG2 . 15803 1 1656 . 1 1 145 145 GLU HG3 H 1 2.133 0.004 . 2 . . . . 145 GLU HG3 . 15803 1 1657 . 1 1 145 145 GLU C C 13 176.209 0.000 . 1 . . . . 145 GLU C . 15803 1 1658 . 1 1 145 145 GLU CA C 13 58.878 0.079 . 1 . . . . 145 GLU CA . 15803 1 1659 . 1 1 145 145 GLU CB C 13 29.554 0.070 . 1 . . . . 145 GLU CB . 15803 1 1660 . 1 1 145 145 GLU CG C 13 35.616 0.052 . 1 . . . . 145 GLU CG . 15803 1 1661 . 1 1 145 145 GLU N N 15 120.510 0.035 . 1 . . . . 145 GLU N . 15803 1 1662 . 1 1 146 146 ALA H H 1 6.693 0.002 . 1 . . . . 146 ALA H . 15803 1 1663 . 1 1 146 146 ALA HA H 1 3.511 0.013 . 1 . . . . 146 ALA HA . 15803 1 1664 . 1 1 146 146 ALA HB1 H 1 0.383 0.006 . 1 . . . . 146 ALA HB1 . 15803 1 1665 . 1 1 146 146 ALA HB2 H 1 0.383 0.006 . 1 . . . . 146 ALA HB2 . 15803 1 1666 . 1 1 146 146 ALA HB3 H 1 0.383 0.006 . 1 . . . . 146 ALA HB3 . 15803 1 1667 . 1 1 146 146 ALA C C 13 176.304 0.000 . 1 . . . . 146 ALA C . 15803 1 1668 . 1 1 146 146 ALA CA C 13 54.619 0.082 . 1 . . . . 146 ALA CA . 15803 1 1669 . 1 1 146 146 ALA CB C 13 17.638 0.038 . 1 . . . . 146 ALA CB . 15803 1 1670 . 1 1 146 146 ALA N N 15 121.572 0.054 . 1 . . . . 146 ALA N . 15803 1 1671 . 1 1 147 147 ARG H H 1 8.540 0.007 . 1 . . . . 147 ARG H . 15803 1 1672 . 1 1 147 147 ARG HA H 1 3.520 0.006 . 1 . . . . 147 ARG HA . 15803 1 1673 . 1 1 147 147 ARG HB2 H 1 1.686 0.012 . 2 . . . . 147 ARG HB2 . 15803 1 1674 . 1 1 147 147 ARG HB3 H 1 1.712 0.012 . 2 . . . . 147 ARG HB3 . 15803 1 1675 . 1 1 147 147 ARG HD2 H 1 3.158 0.010 . 2 . . . . 147 ARG HD2 . 15803 1 1676 . 1 1 147 147 ARG HD3 H 1 3.128 0.013 . 2 . . . . 147 ARG HD3 . 15803 1 1677 . 1 1 147 147 ARG HG2 H 1 1.753 0.031 . 2 . . . . 147 ARG HG2 . 15803 1 1678 . 1 1 147 147 ARG HG3 H 1 1.608 0.016 . 2 . . . . 147 ARG HG3 . 15803 1 1679 . 1 1 147 147 ARG C C 13 176.681 0.000 . 1 . . . . 147 ARG C . 15803 1 1680 . 1 1 147 147 ARG CA C 13 59.909 0.084 . 1 . . . . 147 ARG CA . 15803 1 1681 . 1 1 147 147 ARG CB C 13 30.151 0.011 . 1 . . . . 147 ARG CB . 15803 1 1682 . 1 1 147 147 ARG CD C 13 43.529 0.073 . 1 . . . . 147 ARG CD . 15803 1 1683 . 1 1 147 147 ARG CG C 13 27.814 0.091 . 1 . . . . 147 ARG CG . 15803 1 1684 . 1 1 147 147 ARG N N 15 116.860 0.045 . 1 . . . . 147 ARG N . 15803 1 1685 . 1 1 148 148 SER H H 1 7.660 0.009 . 1 . . . . 148 SER H . 15803 1 1686 . 1 1 148 148 SER HA H 1 4.054 0.005 . 1 . . . . 148 SER HA . 15803 1 1687 . 1 1 148 148 SER HB2 H 1 3.821 0.009 . 2 . . . . 148 SER HB2 . 15803 1 1688 . 1 1 148 148 SER HB3 H 1 3.792 0.004 . 2 . . . . 148 SER HB3 . 15803 1 1689 . 1 1 148 148 SER C C 13 174.456 0.000 . 1 . . . . 148 SER C . 15803 1 1690 . 1 1 148 148 SER CA C 13 61.697 0.056 . 1 . . . . 148 SER CA . 15803 1 1691 . 1 1 148 148 SER CB C 13 62.599 0.033 . 1 . . . . 148 SER CB . 15803 1 1692 . 1 1 148 148 SER N N 15 112.639 0.034 . 1 . . . . 148 SER N . 15803 1 1693 . 1 1 149 149 LYS H H 1 7.057 0.009 . 1 . . . . 149 LYS H . 15803 1 1694 . 1 1 149 149 LYS HA H 1 3.606 0.009 . 1 . . . . 149 LYS HA . 15803 1 1695 . 1 1 149 149 LYS HB2 H 1 1.495 0.009 . 2 . . . . 149 LYS HB2 . 15803 1 1696 . 1 1 149 149 LYS HB3 H 1 1.269 0.008 . 2 . . . . 149 LYS HB3 . 15803 1 1697 . 1 1 149 149 LYS HD2 H 1 0.938 0.019 . 2 . . . . 149 LYS HD2 . 15803 1 1698 . 1 1 149 149 LYS HD3 H 1 0.960 0.011 . 2 . . . . 149 LYS HD3 . 15803 1 1699 . 1 1 149 149 LYS HE2 H 1 2.335 0.006 . 2 . . . . 149 LYS HE2 . 15803 1 1700 . 1 1 149 149 LYS HE3 H 1 2.528 0.006 . 2 . . . . 149 LYS HE3 . 15803 1 1701 . 1 1 149 149 LYS HG2 H 1 0.433 0.010 . 2 . . . . 149 LYS HG2 . 15803 1 1702 . 1 1 149 149 LYS HG3 H 1 -0.445 0.006 . 2 . . . . 149 LYS HG3 . 15803 1 1703 . 1 1 149 149 LYS C C 13 174.066 0.000 . 1 . . . . 149 LYS C . 15803 1 1704 . 1 1 149 149 LYS CA C 13 56.543 0.053 . 1 . . . . 149 LYS CA . 15803 1 1705 . 1 1 149 149 LYS CB C 13 30.076 0.095 . 1 . . . . 149 LYS CB . 15803 1 1706 . 1 1 149 149 LYS CD C 13 26.110 0.043 . 1 . . . . 149 LYS CD . 15803 1 1707 . 1 1 149 149 LYS CE C 13 40.907 0.067 . 1 . . . . 149 LYS CE . 15803 1 1708 . 1 1 149 149 LYS CG C 13 21.363 0.042 . 1 . . . . 149 LYS CG . 15803 1 1709 . 1 1 149 149 LYS N N 15 123.421 0.042 . 1 . . . . 149 LYS N . 15803 1 1710 . 1 1 150 150 ALA H H 1 7.745 0.008 . 1 . . . . 150 ALA H . 15803 1 1711 . 1 1 150 150 ALA HA H 1 3.715 0.006 . 1 . . . . 150 ALA HA . 15803 1 1712 . 1 1 150 150 ALA HB1 H 1 1.359 0.004 . 1 . . . . 150 ALA HB1 . 15803 1 1713 . 1 1 150 150 ALA HB2 H 1 1.359 0.004 . 1 . . . . 150 ALA HB2 . 15803 1 1714 . 1 1 150 150 ALA HB3 H 1 1.359 0.004 . 1 . . . . 150 ALA HB3 . 15803 1 1715 . 1 1 150 150 ALA C C 13 177.138 0.000 . 1 . . . . 150 ALA C . 15803 1 1716 . 1 1 150 150 ALA CA C 13 55.476 0.028 . 1 . . . . 150 ALA CA . 15803 1 1717 . 1 1 150 150 ALA CB C 13 17.842 0.026 . 1 . . . . 150 ALA CB . 15803 1 1718 . 1 1 150 150 ALA N N 15 119.450 0.047 . 1 . . . . 150 ALA N . 15803 1 1719 . 1 1 151 151 GLU H H 1 8.166 0.005 . 1 . . . . 151 GLU H . 15803 1 1720 . 1 1 151 151 GLU HA H 1 4.069 0.006 . 1 . . . . 151 GLU HA . 15803 1 1721 . 1 1 151 151 GLU HB2 H 1 2.081 0.010 . 2 . . . . 151 GLU HB2 . 15803 1 1722 . 1 1 151 151 GLU HB3 H 1 2.002 0.009 . 2 . . . . 151 GLU HB3 . 15803 1 1723 . 1 1 151 151 GLU HG2 H 1 2.189 0.003 . 2 . . . . 151 GLU HG2 . 15803 1 1724 . 1 1 151 151 GLU HG3 H 1 2.366 0.005 . 2 . . . . 151 GLU HG3 . 15803 1 1725 . 1 1 151 151 GLU C C 13 178.401 0.000 . 1 . . . . 151 GLU C . 15803 1 1726 . 1 1 151 151 GLU CA C 13 59.537 0.050 . 1 . . . . 151 GLU CA . 15803 1 1727 . 1 1 151 151 GLU CB C 13 29.232 0.056 . 1 . . . . 151 GLU CB . 15803 1 1728 . 1 1 151 151 GLU CG C 13 36.575 0.060 . 1 . . . . 151 GLU CG . 15803 1 1729 . 1 1 151 151 GLU N N 15 116.789 0.079 . 1 . . . . 151 GLU N . 15803 1 1730 . 1 1 152 152 GLU H H 1 7.732 0.004 . 1 . . . . 152 GLU H . 15803 1 1731 . 1 1 152 152 GLU HA H 1 3.935 0.005 . 1 . . . . 152 GLU HA . 15803 1 1732 . 1 1 152 152 GLU HB2 H 1 2.019 0.008 . 2 . . . . 152 GLU HB2 . 15803 1 1733 . 1 1 152 152 GLU HB3 H 1 2.019 0.008 . 2 . . . . 152 GLU HB3 . 15803 1 1734 . 1 1 152 152 GLU HG2 H 1 2.344 0.004 . 2 . . . . 152 GLU HG2 . 15803 1 1735 . 1 1 152 152 GLU HG3 H 1 2.069 0.003 . 2 . . . . 152 GLU HG3 . 15803 1 1736 . 1 1 152 152 GLU C C 13 176.644 0.000 . 1 . . . . 152 GLU C . 15803 1 1737 . 1 1 152 152 GLU CA C 13 59.466 0.047 . 1 . . . . 152 GLU CA . 15803 1 1738 . 1 1 152 152 GLU CB C 13 29.109 0.025 . 1 . . . . 152 GLU CB . 15803 1 1739 . 1 1 152 152 GLU CG C 13 35.999 0.017 . 1 . . . . 152 GLU CG . 15803 1 1740 . 1 1 152 152 GLU N N 15 122.914 0.049 . 1 . . . . 152 GLU N . 15803 1 1741 . 1 1 153 153 TRP H H 1 7.736 0.005 . 1 . . . . 153 TRP H . 15803 1 1742 . 1 1 153 153 TRP HA H 1 4.737 0.002 . 1 . . . . 153 TRP HA . 15803 1 1743 . 1 1 153 153 TRP HB2 H 1 3.354 0.006 . 2 . . . . 153 TRP HB2 . 15803 1 1744 . 1 1 153 153 TRP HB3 H 1 3.089 0.010 . 2 . . . . 153 TRP HB3 . 15803 1 1745 . 1 1 153 153 TRP HD1 H 1 6.808 0.010 . 1 . . . . 153 TRP HD1 . 15803 1 1746 . 1 1 153 153 TRP HE1 H 1 9.818 0.002 . 1 . . . . 153 TRP HE1 . 15803 1 1747 . 1 1 153 153 TRP HE3 H 1 6.921 0.005 . 1 . . . . 153 TRP HE3 . 15803 1 1748 . 1 1 153 153 TRP HH2 H 1 6.813 0.006 . 1 . . . . 153 TRP HH2 . 15803 1 1749 . 1 1 153 153 TRP HZ2 H 1 7.040 0.004 . 1 . . . . 153 TRP HZ2 . 15803 1 1750 . 1 1 153 153 TRP HZ3 H 1 6.607 0.005 . 1 . . . . 153 TRP HZ3 . 15803 1 1751 . 1 1 153 153 TRP C C 13 174.239 0.000 . 1 . . . . 153 TRP C . 15803 1 1752 . 1 1 153 153 TRP CA C 13 54.867 0.003 . 1 . . . . 153 TRP CA . 15803 1 1753 . 1 1 153 153 TRP CB C 13 30.143 0.048 . 1 . . . . 153 TRP CB . 15803 1 1754 . 1 1 153 153 TRP CD1 C 13 122.598 0.037 . 1 . . . . 153 TRP CD1 . 15803 1 1755 . 1 1 153 153 TRP CE3 C 13 118.863 0.048 . 1 . . . . 153 TRP CE3 . 15803 1 1756 . 1 1 153 153 TRP CH2 C 13 123.253 0.043 . 1 . . . . 153 TRP CH2 . 15803 1 1757 . 1 1 153 153 TRP CZ2 C 13 113.632 0.051 . 1 . . . . 153 TRP CZ2 . 15803 1 1758 . 1 1 153 153 TRP CZ3 C 13 120.653 0.066 . 1 . . . . 153 TRP CZ3 . 15803 1 1759 . 1 1 153 153 TRP N N 15 118.538 0.062 . 1 . . . . 153 TRP N . 15803 1 1760 . 1 1 153 153 TRP NE1 N 15 127.032 0.065 . 1 . . . . 153 TRP NE1 . 15803 1 1761 . 1 1 154 154 GLY H H 1 8.240 0.003 . 1 . . . . 154 GLY H . 15803 1 1762 . 1 1 154 154 GLY HA2 H 1 4.029 0.010 . 2 . . . . 154 GLY HA2 . 15803 1 1763 . 1 1 154 154 GLY HA3 H 1 4.002 0.013 . 2 . . . . 154 GLY HA3 . 15803 1 1764 . 1 1 154 154 GLY C C 13 172.885 0.000 . 1 . . . . 154 GLY C . 15803 1 1765 . 1 1 154 154 GLY CA C 13 46.602 0.038 . 1 . . . . 154 GLY CA . 15803 1 1766 . 1 1 154 154 GLY N N 15 111.138 0.029 . 1 . . . . 154 GLY N . 15803 1 1767 . 1 1 155 155 VAL H H 1 8.236 0.008 . 1 . . . . 155 VAL H . 15803 1 1768 . 1 1 155 155 VAL HA H 1 4.983 0.004 . 1 . . . . 155 VAL HA . 15803 1 1769 . 1 1 155 155 VAL HB H 1 2.693 0.004 . 1 . . . . 155 VAL HB . 15803 1 1770 . 1 1 155 155 VAL HG11 H 1 1.031 0.010 . 2 . . . . 155 VAL HG11 . 15803 1 1771 . 1 1 155 155 VAL HG12 H 1 1.031 0.010 . 2 . . . . 155 VAL HG12 . 15803 1 1772 . 1 1 155 155 VAL HG13 H 1 1.031 0.010 . 2 . . . . 155 VAL HG13 . 15803 1 1773 . 1 1 155 155 VAL HG21 H 1 0.980 0.010 . 2 . . . . 155 VAL HG21 . 15803 1 1774 . 1 1 155 155 VAL HG22 H 1 0.980 0.010 . 2 . . . . 155 VAL HG22 . 15803 1 1775 . 1 1 155 155 VAL HG23 H 1 0.980 0.010 . 2 . . . . 155 VAL HG23 . 15803 1 1776 . 1 1 155 155 VAL C C 13 172.284 0.000 . 1 . . . . 155 VAL C . 15803 1 1777 . 1 1 155 155 VAL CA C 13 58.876 0.033 . 1 . . . . 155 VAL CA . 15803 1 1778 . 1 1 155 155 VAL CB C 13 35.632 0.061 . 1 . . . . 155 VAL CB . 15803 1 1779 . 1 1 155 155 VAL CG1 C 13 18.979 0.034 . 2 . . . . 155 VAL CG1 . 15803 1 1780 . 1 1 155 155 VAL CG2 C 13 22.668 0.082 . 2 . . . . 155 VAL CG2 . 15803 1 1781 . 1 1 155 155 VAL N N 15 112.397 0.055 . 1 . . . . 155 VAL N . 15803 1 1782 . 1 1 156 156 GLN H H 1 8.797 0.003 . 1 . . . . 156 GLN H . 15803 1 1783 . 1 1 156 156 GLN HA H 1 4.353 0.005 . 1 . . . . 156 GLN HA . 15803 1 1784 . 1 1 156 156 GLN HB2 H 1 1.941 0.011 . 2 . . . . 156 GLN HB2 . 15803 1 1785 . 1 1 156 156 GLN HB3 H 1 1.941 0.011 . 2 . . . . 156 GLN HB3 . 15803 1 1786 . 1 1 156 156 GLN HE21 H 1 7.113 0.003 . 1 . . . . 156 GLN HE21 . 15803 1 1787 . 1 1 156 156 GLN HE22 H 1 7.495 0.003 . 1 . . . . 156 GLN HE22 . 15803 1 1788 . 1 1 156 156 GLN HG2 H 1 2.366 0.006 . 2 . . . . 156 GLN HG2 . 15803 1 1789 . 1 1 156 156 GLN HG3 H 1 2.262 0.007 . 2 . . . . 156 GLN HG3 . 15803 1 1790 . 1 1 156 156 GLN C C 13 171.540 0.000 . 1 . . . . 156 GLN C . 15803 1 1791 . 1 1 156 156 GLN CA C 13 55.243 0.049 . 1 . . . . 156 GLN CA . 15803 1 1792 . 1 1 156 156 GLN CB C 13 30.556 0.036 . 1 . . . . 156 GLN CB . 15803 1 1793 . 1 1 156 156 GLN CD C 13 178.084 0.002 . 1 . . . . 156 GLN CD . 15803 1 1794 . 1 1 156 156 GLN CG C 13 34.419 0.060 . 1 . . . . 156 GLN CG . 15803 1 1795 . 1 1 156 156 GLN N N 15 118.627 0.048 . 1 . . . . 156 GLN N . 15803 1 1796 . 1 1 156 156 GLN NE2 N 15 113.512 0.132 . 1 . . . . 156 GLN NE2 . 15803 1 1797 . 1 1 157 157 TYR H H 1 8.105 0.008 . 1 . . . . 157 TYR H . 15803 1 1798 . 1 1 157 157 TYR HA H 1 5.777 0.007 . 1 . . . . 157 TYR HA . 15803 1 1799 . 1 1 157 157 TYR HB2 H 1 2.563 0.007 . 2 . . . . 157 TYR HB2 . 15803 1 1800 . 1 1 157 157 TYR HB3 H 1 2.724 0.003 . 2 . . . . 157 TYR HB3 . 15803 1 1801 . 1 1 157 157 TYR HD1 H 1 6.854 0.004 . 3 . . . . 157 TYR HD1 . 15803 1 1802 . 1 1 157 157 TYR HD2 H 1 6.854 0.004 . 3 . . . . 157 TYR HD2 . 15803 1 1803 . 1 1 157 157 TYR HE1 H 1 6.660 0.009 . 3 . . . . 157 TYR HE1 . 15803 1 1804 . 1 1 157 157 TYR HE2 H 1 6.660 0.009 . 3 . . . . 157 TYR HE2 . 15803 1 1805 . 1 1 157 157 TYR HH H 1 11.414 0.004 . 1 . . . . 157 TYR HH . 15803 1 1806 . 1 1 157 157 TYR C C 13 172.803 0.000 . 1 . . . . 157 TYR C . 15803 1 1807 . 1 1 157 157 TYR CA C 13 55.138 0.059 . 1 . . . . 157 TYR CA . 15803 1 1808 . 1 1 157 157 TYR CB C 13 41.318 0.030 . 1 . . . . 157 TYR CB . 15803 1 1809 . 1 1 157 157 TYR CD1 C 13 132.003 0.092 . 3 . . . . 157 TYR CD1 . 15803 1 1810 . 1 1 157 157 TYR CD2 C 13 132.003 0.092 . 3 . . . . 157 TYR CD2 . 15803 1 1811 . 1 1 157 157 TYR CE1 C 13 119.539 0.095 . 3 . . . . 157 TYR CE1 . 15803 1 1812 . 1 1 157 157 TYR CE2 C 13 119.539 0.095 . 3 . . . . 157 TYR CE2 . 15803 1 1813 . 1 1 157 157 TYR N N 15 120.150 0.064 . 1 . . . . 157 TYR N . 15803 1 1814 . 1 1 158 158 VAL H H 1 8.240 0.006 . 1 . . . . 158 VAL H . 15803 1 1815 . 1 1 158 158 VAL HA H 1 3.690 0.003 . 1 . . . . 158 VAL HA . 15803 1 1816 . 1 1 158 158 VAL HB H 1 1.382 0.004 . 1 . . . . 158 VAL HB . 15803 1 1817 . 1 1 158 158 VAL HG11 H 1 0.674 0.007 . 2 . . . . 158 VAL HG11 . 15803 1 1818 . 1 1 158 158 VAL HG12 H 1 0.674 0.007 . 2 . . . . 158 VAL HG12 . 15803 1 1819 . 1 1 158 158 VAL HG13 H 1 0.674 0.007 . 2 . . . . 158 VAL HG13 . 15803 1 1820 . 1 1 158 158 VAL HG21 H 1 0.605 0.014 . 2 . . . . 158 VAL HG21 . 15803 1 1821 . 1 1 158 158 VAL HG22 H 1 0.605 0.014 . 2 . . . . 158 VAL HG22 . 15803 1 1822 . 1 1 158 158 VAL HG23 H 1 0.605 0.014 . 2 . . . . 158 VAL HG23 . 15803 1 1823 . 1 1 158 158 VAL C C 13 170.745 0.000 . 1 . . . . 158 VAL C . 15803 1 1824 . 1 1 158 158 VAL CA C 13 60.366 0.053 . 1 . . . . 158 VAL CA . 15803 1 1825 . 1 1 158 158 VAL CB C 13 36.197 0.043 . 1 . . . . 158 VAL CB . 15803 1 1826 . 1 1 158 158 VAL CG1 C 13 22.111 0.031 . 2 . . . . 158 VAL CG1 . 15803 1 1827 . 1 1 158 158 VAL CG2 C 13 22.080 0.042 . 2 . . . . 158 VAL CG2 . 15803 1 1828 . 1 1 158 158 VAL N N 15 129.201 0.036 . 1 . . . . 158 VAL N . 15803 1 1829 . 1 1 159 159 GLU H H 1 8.182 0.009 . 1 . . . . 159 GLU H . 15803 1 1830 . 1 1 159 159 GLU HA H 1 5.119 0.005 . 1 . . . . 159 GLU HA . 15803 1 1831 . 1 1 159 159 GLU HB2 H 1 1.658 0.010 . 2 . . . . 159 GLU HB2 . 15803 1 1832 . 1 1 159 159 GLU HB3 H 1 1.658 0.010 . 2 . . . . 159 GLU HB3 . 15803 1 1833 . 1 1 159 159 GLU HG2 H 1 2.178 0.007 . 2 . . . . 159 GLU HG2 . 15803 1 1834 . 1 1 159 159 GLU HG3 H 1 2.178 0.007 . 2 . . . . 159 GLU HG3 . 15803 1 1835 . 1 1 159 159 GLU C C 13 174.873 0.000 . 1 . . . . 159 GLU C . 15803 1 1836 . 1 1 159 159 GLU CA C 13 54.980 0.023 . 1 . . . . 159 GLU CA . 15803 1 1837 . 1 1 159 159 GLU CB C 13 30.524 0.122 . 1 . . . . 159 GLU CB . 15803 1 1838 . 1 1 159 159 GLU CG C 13 36.234 0.104 . 1 . . . . 159 GLU CG . 15803 1 1839 . 1 1 159 159 GLU N N 15 122.665 0.074 . 1 . . . . 159 GLU N . 15803 1 1840 . 1 1 160 160 THR H H 1 8.826 0.012 . 1 . . . . 160 THR H . 15803 1 1841 . 1 1 160 160 THR HA H 1 4.770 0.010 . 1 . . . . 160 THR HA . 15803 1 1842 . 1 1 160 160 THR HB H 1 3.860 0.004 . 1 . . . . 160 THR HB . 15803 1 1843 . 1 1 160 160 THR HG21 H 1 0.662 0.002 . 1 . . . . 160 THR HG21 . 15803 1 1844 . 1 1 160 160 THR HG22 H 1 0.662 0.002 . 1 . . . . 160 THR HG22 . 15803 1 1845 . 1 1 160 160 THR HG23 H 1 0.662 0.002 . 1 . . . . 160 THR HG23 . 15803 1 1846 . 1 1 160 160 THR C C 13 173.285 0.000 . 1 . . . . 160 THR C . 15803 1 1847 . 1 1 160 160 THR CA C 13 59.609 0.022 . 1 . . . . 160 THR CA . 15803 1 1848 . 1 1 160 160 THR CB C 13 73.381 0.019 . 1 . . . . 160 THR CB . 15803 1 1849 . 1 1 160 160 THR CG2 C 13 22.939 0.082 . 1 . . . . 160 THR CG2 . 15803 1 1850 . 1 1 160 160 THR N N 15 114.155 0.077 . 1 . . . . 160 THR N . 15803 1 1851 . 1 1 161 161 SER H H 1 8.031 0.007 . 1 . . . . 161 SER H . 15803 1 1852 . 1 1 161 161 SER HA H 1 4.871 0.002 . 1 . . . . 161 SER HA . 15803 1 1853 . 1 1 161 161 SER HB2 H 1 3.737 0.004 . 2 . . . . 161 SER HB2 . 15803 1 1854 . 1 1 161 161 SER HB3 H 1 3.862 0.001 . 2 . . . . 161 SER HB3 . 15803 1 1855 . 1 1 161 161 SER C C 13 173.322 0.000 . 1 . . . . 161 SER C . 15803 1 1856 . 1 1 161 161 SER CA C 13 57.616 0.009 . 1 . . . . 161 SER CA . 15803 1 1857 . 1 1 161 161 SER CB C 13 64.145 0.030 . 1 . . . . 161 SER CB . 15803 1 1858 . 1 1 161 161 SER N N 15 110.549 0.047 . 1 . . . . 161 SER N . 15803 1 1859 . 1 1 162 162 ALA H H 1 9.029 0.005 . 1 . . . . 162 ALA H . 15803 1 1860 . 1 1 162 162 ALA HA H 1 3.845 0.005 . 1 . . . . 162 ALA HA . 15803 1 1861 . 1 1 162 162 ALA HB1 H 1 1.508 0.005 . 1 . . . . 162 ALA HB1 . 15803 1 1862 . 1 1 162 162 ALA HB2 H 1 1.508 0.005 . 1 . . . . 162 ALA HB2 . 15803 1 1863 . 1 1 162 162 ALA HB3 H 1 1.508 0.005 . 1 . . . . 162 ALA HB3 . 15803 1 1864 . 1 1 162 162 ALA C C 13 173.391 0.000 . 1 . . . . 162 ALA C . 15803 1 1865 . 1 1 162 162 ALA CA C 13 54.769 0.055 . 1 . . . . 162 ALA CA . 15803 1 1866 . 1 1 162 162 ALA CB C 13 18.612 0.066 . 1 . . . . 162 ALA CB . 15803 1 1867 . 1 1 162 162 ALA N N 15 132.038 0.081 . 1 . . . . 162 ALA N . 15803 1 1868 . 1 1 163 163 LYS H H 1 6.876 0.006 . 1 . . . . 163 LYS H . 15803 1 1869 . 1 1 163 163 LYS HA H 1 2.214 0.009 . 1 . . . . 163 LYS HA . 15803 1 1870 . 1 1 163 163 LYS HB2 H 1 0.986 0.009 . 2 . . . . 163 LYS HB2 . 15803 1 1871 . 1 1 163 163 LYS HB3 H 1 0.429 0.007 . 2 . . . . 163 LYS HB3 . 15803 1 1872 . 1 1 163 163 LYS HD2 H 1 1.321 0.006 . 2 . . . . 163 LYS HD2 . 15803 1 1873 . 1 1 163 163 LYS HD3 H 1 1.193 0.005 . 2 . . . . 163 LYS HD3 . 15803 1 1874 . 1 1 163 163 LYS HE2 H 1 2.706 0.007 . 2 . . . . 163 LYS HE2 . 15803 1 1875 . 1 1 163 163 LYS HE3 H 1 2.696 0.007 . 2 . . . . 163 LYS HE3 . 15803 1 1876 . 1 1 163 163 LYS HG2 H 1 0.290 0.008 . 2 . . . . 163 LYS HG2 . 15803 1 1877 . 1 1 163 163 LYS HG3 H 1 0.600 0.007 . 2 . . . . 163 LYS HG3 . 15803 1 1878 . 1 1 163 163 LYS C C 13 174.651 0.000 . 1 . . . . 163 LYS C . 15803 1 1879 . 1 1 163 163 LYS CA C 13 58.290 0.057 . 1 . . . . 163 LYS CA . 15803 1 1880 . 1 1 163 163 LYS CB C 13 34.016 0.055 . 1 . . . . 163 LYS CB . 15803 1 1881 . 1 1 163 163 LYS CD C 13 29.710 0.080 . 1 . . . . 163 LYS CD . 15803 1 1882 . 1 1 163 163 LYS CE C 13 42.118 0.051 . 1 . . . . 163 LYS CE . 15803 1 1883 . 1 1 163 163 LYS CG C 13 24.749 0.098 . 1 . . . . 163 LYS CG . 15803 1 1884 . 1 1 163 163 LYS N N 15 115.128 0.052 . 1 . . . . 163 LYS N . 15803 1 1885 . 1 1 164 164 THR H H 1 7.668 0.003 . 1 . . . . 164 THR H . 15803 1 1886 . 1 1 164 164 THR HA H 1 4.047 0.004 . 1 . . . . 164 THR HA . 15803 1 1887 . 1 1 164 164 THR HB H 1 4.345 0.004 . 1 . . . . 164 THR HB . 15803 1 1888 . 1 1 164 164 THR HG1 H 1 5.249 0.007 . 1 . . . . 164 THR HG1 . 15803 1 1889 . 1 1 164 164 THR HG21 H 1 0.965 0.003 . 1 . . . . 164 THR HG21 . 15803 1 1890 . 1 1 164 164 THR HG22 H 1 0.965 0.003 . 1 . . . . 164 THR HG22 . 15803 1 1891 . 1 1 164 164 THR HG23 H 1 0.965 0.003 . 1 . . . . 164 THR HG23 . 15803 1 1892 . 1 1 164 164 THR C C 13 173.057 0.000 . 1 . . . . 164 THR C . 15803 1 1893 . 1 1 164 164 THR CA C 13 61.351 0.052 . 1 . . . . 164 THR CA . 15803 1 1894 . 1 1 164 164 THR CB C 13 69.200 0.035 . 1 . . . . 164 THR CB . 15803 1 1895 . 1 1 164 164 THR CG2 C 13 21.242 0.082 . 1 . . . . 164 THR CG2 . 15803 1 1896 . 1 1 164 164 THR N N 15 105.784 0.067 . 1 . . . . 164 THR N . 15803 1 1897 . 1 1 165 165 ARG H H 1 7.634 0.006 . 1 . . . . 165 ARG H . 15803 1 1898 . 1 1 165 165 ARG HA H 1 3.440 0.015 . 1 . . . . 165 ARG HA . 15803 1 1899 . 1 1 165 165 ARG HB2 H 1 2.139 0.006 . 2 . . . . 165 ARG HB2 . 15803 1 1900 . 1 1 165 165 ARG HB3 H 1 2.139 0.006 . 2 . . . . 165 ARG HB3 . 15803 1 1901 . 1 1 165 165 ARG HD2 H 1 3.055 0.009 . 2 . . . . 165 ARG HD2 . 15803 1 1902 . 1 1 165 165 ARG HD3 H 1 3.055 0.009 . 2 . . . . 165 ARG HD3 . 15803 1 1903 . 1 1 165 165 ARG HE H 1 6.887 0.005 . 1 . . . . 165 ARG HE . 15803 1 1904 . 1 1 165 165 ARG HG2 H 1 1.736 0.020 . 2 . . . . 165 ARG HG2 . 15803 1 1905 . 1 1 165 165 ARG HG3 H 1 1.198 0.005 . 2 . . . . 165 ARG HG3 . 15803 1 1906 . 1 1 165 165 ARG C C 13 173.434 0.000 . 1 . . . . 165 ARG C . 15803 1 1907 . 1 1 165 165 ARG CA C 13 58.552 0.098 . 1 . . . . 165 ARG CA . 15803 1 1908 . 1 1 165 165 ARG CB C 13 30.197 0.062 . 1 . . . . 165 ARG CB . 15803 1 1909 . 1 1 165 165 ARG CD C 13 43.251 0.030 . 1 . . . . 165 ARG CD . 15803 1 1910 . 1 1 165 165 ARG CG C 13 32.266 0.048 . 1 . . . . 165 ARG CG . 15803 1 1911 . 1 1 165 165 ARG N N 15 118.938 0.058 . 1 . . . . 165 ARG N . 15803 1 1912 . 1 1 165 165 ARG NE N 15 84.261 0.036 . 1 . . . . 165 ARG NE . 15803 1 1913 . 1 1 166 166 ALA H H 1 7.562 0.006 . 1 . . . . 166 ALA H . 15803 1 1914 . 1 1 166 166 ALA HA H 1 4.069 0.002 . 1 . . . . 166 ALA HA . 15803 1 1915 . 1 1 166 166 ALA HB1 H 1 1.119 0.002 . 1 . . . . 166 ALA HB1 . 15803 1 1916 . 1 1 166 166 ALA HB2 H 1 1.119 0.002 . 1 . . . . 166 ALA HB2 . 15803 1 1917 . 1 1 166 166 ALA HB3 H 1 1.119 0.002 . 1 . . . . 166 ALA HB3 . 15803 1 1918 . 1 1 166 166 ALA C C 13 175.194 0.000 . 1 . . . . 166 ALA C . 15803 1 1919 . 1 1 166 166 ALA CA C 13 54.044 0.038 . 1 . . . . 166 ALA CA . 15803 1 1920 . 1 1 166 166 ALA CB C 13 18.406 0.054 . 1 . . . . 166 ALA CB . 15803 1 1921 . 1 1 166 166 ALA N N 15 126.151 0.031 . 1 . . . . 166 ALA N . 15803 1 1922 . 1 1 167 167 ASN H H 1 8.942 0.007 . 1 . . . . 167 ASN H . 15803 1 1923 . 1 1 167 167 ASN HA H 1 4.526 0.006 . 1 . . . . 167 ASN HA . 15803 1 1924 . 1 1 167 167 ASN HB2 H 1 3.181 0.007 . 2 . . . . 167 ASN HB2 . 15803 1 1925 . 1 1 167 167 ASN HB3 H 1 2.727 0.006 . 2 . . . . 167 ASN HB3 . 15803 1 1926 . 1 1 167 167 ASN HD21 H 1 6.776 0.005 . 1 . . . . 167 ASN HD21 . 15803 1 1927 . 1 1 167 167 ASN HD22 H 1 7.829 0.005 . 1 . . . . 167 ASN HD22 . 15803 1 1928 . 1 1 167 167 ASN C C 13 171.515 0.000 . 1 . . . . 167 ASN C . 15803 1 1929 . 1 1 167 167 ASN CA C 13 54.266 0.041 . 1 . . . . 167 ASN CA . 15803 1 1930 . 1 1 167 167 ASN CB C 13 37.070 0.075 . 1 . . . . 167 ASN CB . 15803 1 1931 . 1 1 167 167 ASN N N 15 115.708 0.052 . 1 . . . . 167 ASN N . 15803 1 1932 . 1 1 167 167 ASN ND2 N 15 111.502 0.045 . 1 . . . . 167 ASN ND2 . 15803 1 1933 . 1 1 168 168 VAL H H 1 7.285 0.006 . 1 . . . . 168 VAL H . 15803 1 1934 . 1 1 168 168 VAL HA H 1 3.364 0.004 . 1 . . . . 168 VAL HA . 15803 1 1935 . 1 1 168 168 VAL HB H 1 1.834 0.004 . 1 . . . . 168 VAL HB . 15803 1 1936 . 1 1 168 168 VAL HG11 H 1 0.742 0.003 . 2 . . . . 168 VAL HG11 . 15803 1 1937 . 1 1 168 168 VAL HG12 H 1 0.742 0.003 . 2 . . . . 168 VAL HG12 . 15803 1 1938 . 1 1 168 168 VAL HG13 H 1 0.742 0.003 . 2 . . . . 168 VAL HG13 . 15803 1 1939 . 1 1 168 168 VAL HG21 H 1 1.024 0.006 . 2 . . . . 168 VAL HG21 . 15803 1 1940 . 1 1 168 168 VAL HG22 H 1 1.024 0.006 . 2 . . . . 168 VAL HG22 . 15803 1 1941 . 1 1 168 168 VAL HG23 H 1 1.024 0.006 . 2 . . . . 168 VAL HG23 . 15803 1 1942 . 1 1 168 168 VAL C C 13 173.722 0.000 . 1 . . . . 168 VAL C . 15803 1 1943 . 1 1 168 168 VAL CA C 13 67.725 0.047 . 1 . . . . 168 VAL CA . 15803 1 1944 . 1 1 168 168 VAL CB C 13 31.479 0.036 . 1 . . . . 168 VAL CB . 15803 1 1945 . 1 1 168 168 VAL CG1 C 13 24.689 0.050 . 2 . . . . 168 VAL CG1 . 15803 1 1946 . 1 1 168 168 VAL CG2 C 13 21.338 0.018 . 2 . . . . 168 VAL CG2 . 15803 1 1947 . 1 1 168 168 VAL N N 15 119.506 0.062 . 1 . . . . 168 VAL N . 15803 1 1948 . 1 1 169 169 ASP H H 1 7.976 0.004 . 1 . . . . 169 ASP H . 15803 1 1949 . 1 1 169 169 ASP HA H 1 4.455 0.004 . 1 . . . . 169 ASP HA . 15803 1 1950 . 1 1 169 169 ASP HB2 H 1 2.455 0.010 . 2 . . . . 169 ASP HB2 . 15803 1 1951 . 1 1 169 169 ASP HB3 H 1 2.405 0.010 . 2 . . . . 169 ASP HB3 . 15803 1 1952 . 1 1 169 169 ASP C C 13 177.446 0.000 . 1 . . . . 169 ASP C . 15803 1 1953 . 1 1 169 169 ASP CA C 13 58.077 0.045 . 1 . . . . 169 ASP CA . 15803 1 1954 . 1 1 169 169 ASP CB C 13 39.565 0.052 . 1 . . . . 169 ASP CB . 15803 1 1955 . 1 1 169 169 ASP N N 15 116.182 0.046 . 1 . . . . 169 ASP N . 15803 1 1956 . 1 1 170 170 LYS H H 1 7.666 0.003 . 1 . . . . 170 LYS H . 15803 1 1957 . 1 1 170 170 LYS HA H 1 3.865 0.012 . 1 . . . . 170 LYS HA . 15803 1 1958 . 1 1 170 170 LYS HB2 H 1 1.709 0.004 . 2 . . . . 170 LYS HB2 . 15803 1 1959 . 1 1 170 170 LYS HB3 H 1 1.469 0.007 . 2 . . . . 170 LYS HB3 . 15803 1 1960 . 1 1 170 170 LYS HD2 H 1 1.242 0.004 . 2 . . . . 170 LYS HD2 . 15803 1 1961 . 1 1 170 170 LYS HD3 H 1 1.554 0.002 . 2 . . . . 170 LYS HD3 . 15803 1 1962 . 1 1 170 170 LYS HE2 H 1 2.638 0.005 . 2 . . . . 170 LYS HE2 . 15803 1 1963 . 1 1 170 170 LYS HE3 H 1 3.041 0.003 . 2 . . . . 170 LYS HE3 . 15803 1 1964 . 1 1 170 170 LYS HG2 H 1 1.382 0.010 . 2 . . . . 170 LYS HG2 . 15803 1 1965 . 1 1 170 170 LYS HG3 H 1 1.382 0.009 . 2 . . . . 170 LYS HG3 . 15803 1 1966 . 1 1 170 170 LYS C C 13 175.439 0.000 . 1 . . . . 170 LYS C . 15803 1 1967 . 1 1 170 170 LYS CA C 13 59.669 0.120 . 1 . . . . 170 LYS CA . 15803 1 1968 . 1 1 170 170 LYS CB C 13 32.536 0.048 . 1 . . . . 170 LYS CB . 15803 1 1969 . 1 1 170 170 LYS CD C 13 29.601 0.043 . 1 . . . . 170 LYS CD . 15803 1 1970 . 1 1 170 170 LYS CE C 13 42.367 0.072 . 1 . . . . 170 LYS CE . 15803 1 1971 . 1 1 170 170 LYS CG C 13 24.767 0.022 . 1 . . . . 170 LYS CG . 15803 1 1972 . 1 1 170 170 LYS N N 15 117.086 0.045 . 1 . . . . 170 LYS N . 15803 1 1973 . 1 1 171 171 VAL H H 1 7.324 0.005 . 1 . . . . 171 VAL H . 15803 1 1974 . 1 1 171 171 VAL HA H 1 3.668 0.006 . 1 . . . . 171 VAL HA . 15803 1 1975 . 1 1 171 171 VAL HB H 1 1.679 0.005 . 1 . . . . 171 VAL HB . 15803 1 1976 . 1 1 171 171 VAL HG11 H 1 0.654 0.006 . 2 . . . . 171 VAL HG11 . 15803 1 1977 . 1 1 171 171 VAL HG12 H 1 0.654 0.006 . 2 . . . . 171 VAL HG12 . 15803 1 1978 . 1 1 171 171 VAL HG13 H 1 0.654 0.006 . 2 . . . . 171 VAL HG13 . 15803 1 1979 . 1 1 171 171 VAL HG21 H 1 0.706 0.006 . 2 . . . . 171 VAL HG21 . 15803 1 1980 . 1 1 171 171 VAL HG22 H 1 0.706 0.006 . 2 . . . . 171 VAL HG22 . 15803 1 1981 . 1 1 171 171 VAL HG23 H 1 0.706 0.006 . 2 . . . . 171 VAL HG23 . 15803 1 1982 . 1 1 171 171 VAL C C 13 174.452 0.000 . 1 . . . . 171 VAL C . 15803 1 1983 . 1 1 171 171 VAL CA C 13 66.043 0.037 . 1 . . . . 171 VAL CA . 15803 1 1984 . 1 1 171 171 VAL CB C 13 30.197 0.047 . 1 . . . . 171 VAL CB . 15803 1 1985 . 1 1 171 171 VAL CG1 C 13 18.437 0.048 . 2 . . . . 171 VAL CG1 . 15803 1 1986 . 1 1 171 171 VAL CG2 C 13 23.798 0.067 . 2 . . . . 171 VAL CG2 . 15803 1 1987 . 1 1 171 171 VAL N N 15 109.267 0.054 . 1 . . . . 171 VAL N . 15803 1 1988 . 1 1 172 172 PHE H H 1 6.627 0.012 . 1 . . . . 172 PHE H . 15803 1 1989 . 1 1 172 172 PHE HA H 1 3.663 0.004 . 1 . . . . 172 PHE HA . 15803 1 1990 . 1 1 172 172 PHE HB2 H 1 2.149 0.008 . 2 . . . . 172 PHE HB2 . 15803 1 1991 . 1 1 172 172 PHE HB3 H 1 1.906 0.011 . 2 . . . . 172 PHE HB3 . 15803 1 1992 . 1 1 172 172 PHE HD1 H 1 6.746 0.015 . 3 . . . . 172 PHE HD1 . 15803 1 1993 . 1 1 172 172 PHE HD2 H 1 6.746 0.015 . 3 . . . . 172 PHE HD2 . 15803 1 1994 . 1 1 172 172 PHE HE1 H 1 6.721 0.009 . 3 . . . . 172 PHE HE1 . 15803 1 1995 . 1 1 172 172 PHE HE2 H 1 6.721 0.009 . 3 . . . . 172 PHE HE2 . 15803 1 1996 . 1 1 172 172 PHE C C 13 175.976 0.000 . 1 . . . . 172 PHE C . 15803 1 1997 . 1 1 172 172 PHE CA C 13 63.179 0.081 . 1 . . . . 172 PHE CA . 15803 1 1998 . 1 1 172 172 PHE CB C 13 39.614 0.051 . 1 . . . . 172 PHE CB . 15803 1 1999 . 1 1 172 172 PHE CD1 C 13 130.806 0.065 . 3 . . . . 172 PHE CD1 . 15803 1 2000 . 1 1 172 172 PHE CD2 C 13 130.806 0.065 . 3 . . . . 172 PHE CD2 . 15803 1 2001 . 1 1 172 172 PHE CE1 C 13 128.521 0.081 . 3 . . . . 172 PHE CE1 . 15803 1 2002 . 1 1 172 172 PHE CE2 C 13 128.521 0.081 . 3 . . . . 172 PHE CE2 . 15803 1 2003 . 1 1 172 172 PHE N N 15 116.803 0.049 . 1 . . . . 172 PHE N . 15803 1 2004 . 1 1 173 173 PHE H H 1 8.894 0.004 . 1 . . . . 173 PHE H . 15803 1 2005 . 1 1 173 173 PHE HA H 1 4.111 0.004 . 1 . . . . 173 PHE HA . 15803 1 2006 . 1 1 173 173 PHE HB2 H 1 2.853 0.008 . 2 . . . . 173 PHE HB2 . 15803 1 2007 . 1 1 173 173 PHE HB3 H 1 3.225 0.008 . 2 . . . . 173 PHE HB3 . 15803 1 2008 . 1 1 173 173 PHE HD1 H 1 7.374 0.006 . 3 . . . . 173 PHE HD1 . 15803 1 2009 . 1 1 173 173 PHE HD2 H 1 7.374 0.006 . 3 . . . . 173 PHE HD2 . 15803 1 2010 . 1 1 173 173 PHE HE1 H 1 7.412 0.005 . 3 . . . . 173 PHE HE1 . 15803 1 2011 . 1 1 173 173 PHE HE2 H 1 7.412 0.005 . 3 . . . . 173 PHE HE2 . 15803 1 2012 . 1 1 173 173 PHE HZ H 1 7.280 0.004 . 1 . . . . 173 PHE HZ . 15803 1 2013 . 1 1 173 173 PHE C C 13 175.895 0.000 . 1 . . . . 173 PHE C . 15803 1 2014 . 1 1 173 173 PHE CA C 13 61.447 0.032 . 1 . . . . 173 PHE CA . 15803 1 2015 . 1 1 173 173 PHE CB C 13 37.795 0.043 . 1 . . . . 173 PHE CB . 15803 1 2016 . 1 1 173 173 PHE CD1 C 13 131.037 0.093 . 3 . . . . 173 PHE CD1 . 15803 1 2017 . 1 1 173 173 PHE CD2 C 13 131.037 0.093 . 3 . . . . 173 PHE CD2 . 15803 1 2018 . 1 1 173 173 PHE CE1 C 13 130.988 0.081 . 3 . . . . 173 PHE CE1 . 15803 1 2019 . 1 1 173 173 PHE CE2 C 13 130.988 0.081 . 3 . . . . 173 PHE CE2 . 15803 1 2020 . 1 1 173 173 PHE CZ C 13 129.645 0.082 . 1 . . . . 173 PHE CZ . 15803 1 2021 . 1 1 173 173 PHE N N 15 119.032 0.041 . 1 . . . . 173 PHE N . 15803 1 2022 . 1 1 174 174 ASP H H 1 9.463 0.004 . 1 . . . . 174 ASP H . 15803 1 2023 . 1 1 174 174 ASP HA H 1 4.353 0.005 . 1 . . . . 174 ASP HA . 15803 1 2024 . 1 1 174 174 ASP HB2 H 1 2.688 0.010 . 2 . . . . 174 ASP HB2 . 15803 1 2025 . 1 1 174 174 ASP HB3 H 1 2.377 0.008 . 2 . . . . 174 ASP HB3 . 15803 1 2026 . 1 1 174 174 ASP C C 13 178.229 0.000 . 1 . . . . 174 ASP C . 15803 1 2027 . 1 1 174 174 ASP CA C 13 57.644 0.072 . 1 . . . . 174 ASP CA . 15803 1 2028 . 1 1 174 174 ASP CB C 13 38.910 0.084 . 1 . . . . 174 ASP CB . 15803 1 2029 . 1 1 174 174 ASP N N 15 119.786 0.058 . 1 . . . . 174 ASP N . 15803 1 2030 . 1 1 175 175 LEU H H 1 7.515 0.008 . 1 . . . . 175 LEU H . 15803 1 2031 . 1 1 175 175 LEU HA H 1 3.943 0.003 . 1 . . . . 175 LEU HA . 15803 1 2032 . 1 1 175 175 LEU HB2 H 1 1.658 0.006 . 2 . . . . 175 LEU HB2 . 15803 1 2033 . 1 1 175 175 LEU HB3 H 1 1.402 0.005 . 2 . . . . 175 LEU HB3 . 15803 1 2034 . 1 1 175 175 LEU HD11 H 1 0.639 0.006 . 2 . . . . 175 LEU HD11 . 15803 1 2035 . 1 1 175 175 LEU HD12 H 1 0.639 0.006 . 2 . . . . 175 LEU HD12 . 15803 1 2036 . 1 1 175 175 LEU HD13 H 1 0.639 0.006 . 2 . . . . 175 LEU HD13 . 15803 1 2037 . 1 1 175 175 LEU HD21 H 1 0.575 0.009 . 2 . . . . 175 LEU HD21 . 15803 1 2038 . 1 1 175 175 LEU HD22 H 1 0.575 0.009 . 2 . . . . 175 LEU HD22 . 15803 1 2039 . 1 1 175 175 LEU HD23 H 1 0.575 0.009 . 2 . . . . 175 LEU HD23 . 15803 1 2040 . 1 1 175 175 LEU HG H 1 1.243 0.008 . 1 . . . . 175 LEU HG . 15803 1 2041 . 1 1 175 175 LEU C C 13 176.716 0.000 . 1 . . . . 175 LEU C . 15803 1 2042 . 1 1 175 175 LEU CA C 13 57.904 0.083 . 1 . . . . 175 LEU CA . 15803 1 2043 . 1 1 175 175 LEU CB C 13 41.138 0.060 . 1 . . . . 175 LEU CB . 15803 1 2044 . 1 1 175 175 LEU CD1 C 13 22.303 0.047 . 2 . . . . 175 LEU CD1 . 15803 1 2045 . 1 1 175 175 LEU CD2 C 13 28.214 0.084 . 2 . . . . 175 LEU CD2 . 15803 1 2046 . 1 1 175 175 LEU CG C 13 26.559 0.089 . 1 . . . . 175 LEU CG . 15803 1 2047 . 1 1 175 175 LEU N N 15 120.106 0.061 . 1 . . . . 175 LEU N . 15803 1 2048 . 1 1 176 176 MET H H 1 8.197 0.013 . 1 . . . . 176 MET H . 15803 1 2049 . 1 1 176 176 MET HA H 1 3.322 0.009 . 1 . . . . 176 MET HA . 15803 1 2050 . 1 1 176 176 MET HB2 H 1 1.574 0.010 . 2 . . . . 176 MET HB2 . 15803 1 2051 . 1 1 176 176 MET HB3 H 1 2.363 0.005 . 2 . . . . 176 MET HB3 . 15803 1 2052 . 1 1 176 176 MET HE1 H 1 1.540 0.007 . 1 . . . . 176 MET HE1 . 15803 1 2053 . 1 1 176 176 MET HE2 H 1 1.540 0.007 . 1 . . . . 176 MET HE2 . 15803 1 2054 . 1 1 176 176 MET HE3 H 1 1.540 0.007 . 1 . . . . 176 MET HE3 . 15803 1 2055 . 1 1 176 176 MET HG2 H 1 1.834 0.005 . 2 . . . . 176 MET HG2 . 15803 1 2056 . 1 1 176 176 MET HG3 H 1 2.790 0.008 . 2 . . . . 176 MET HG3 . 15803 1 2057 . 1 1 176 176 MET C C 13 175.513 0.000 . 1 . . . . 176 MET C . 15803 1 2058 . 1 1 176 176 MET CA C 13 61.230 0.038 . 1 . . . . 176 MET CA . 15803 1 2059 . 1 1 176 176 MET CB C 13 35.530 0.084 . 1 . . . . 176 MET CB . 15803 1 2060 . 1 1 176 176 MET CE C 13 17.656 0.033 . 1 . . . . 176 MET CE . 15803 1 2061 . 1 1 176 176 MET CG C 13 33.568 0.038 . 1 . . . . 176 MET CG . 15803 1 2062 . 1 1 176 176 MET N N 15 117.287 0.060 . 1 . . . . 176 MET N . 15803 1 2063 . 1 1 177 177 ARG H H 1 8.222 0.008 . 1 . . . . 177 ARG H . 15803 1 2064 . 1 1 177 177 ARG HA H 1 3.648 0.006 . 1 . . . . 177 ARG HA . 15803 1 2065 . 1 1 177 177 ARG HB2 H 1 1.813 0.005 . 1 . . . . 177 ARG HB2 . 15803 1 2066 . 1 1 177 177 ARG HB3 H 1 1.813 0.005 . 1 . . . . 177 ARG HB3 . 15803 1 2067 . 1 1 177 177 ARG HD2 H 1 3.149 0.005 . 2 . . . . 177 ARG HD2 . 15803 1 2068 . 1 1 177 177 ARG HD3 H 1 3.113 0.013 . 2 . . . . 177 ARG HD3 . 15803 1 2069 . 1 1 177 177 ARG HE H 1 9.083 0.009 . 1 . . . . 177 ARG HE . 15803 1 2070 . 1 1 177 177 ARG HG2 H 1 1.330 0.005 . 2 . . . . 177 ARG HG2 . 15803 1 2071 . 1 1 177 177 ARG HG3 H 1 2.091 0.004 . 2 . . . . 177 ARG HG3 . 15803 1 2072 . 1 1 177 177 ARG HH12 H 1 6.667 0.000 . 1 . . . . 177 ARG HH12 . 15803 1 2073 . 1 1 177 177 ARG HH22 H 1 7.046 0.000 . 1 . . . . 177 ARG HH22 . 15803 1 2074 . 1 1 177 177 ARG C C 13 176.738 0.000 . 1 . . . . 177 ARG C . 15803 1 2075 . 1 1 177 177 ARG CA C 13 61.180 0.000 . 1 . . . . 177 ARG CA . 15803 1 2076 . 1 1 177 177 ARG CB C 13 29.584 0.000 . 1 . . . . 177 ARG CB . 15803 1 2077 . 1 1 177 177 ARG CD C 13 43.597 0.017 . 1 . . . . 177 ARG CD . 15803 1 2078 . 1 1 177 177 ARG CG C 13 30.667 0.052 . 1 . . . . 177 ARG CG . 15803 1 2079 . 1 1 177 177 ARG N N 15 117.222 0.049 . 1 . . . . 177 ARG N . 15803 1 2080 . 1 1 177 177 ARG NE N 15 115.576 0.057 . 1 . . . . 177 ARG NE . 15803 1 2081 . 1 1 178 178 GLU H H 1 7.567 0.006 . 1 . . . . 178 GLU H . 15803 1 2082 . 1 1 178 178 GLU HA H 1 4.042 0.005 . 1 . . . . 178 GLU HA . 15803 1 2083 . 1 1 178 178 GLU HB2 H 1 2.221 0.003 . 2 . . . . 178 GLU HB2 . 15803 1 2084 . 1 1 178 178 GLU HB3 H 1 2.115 0.020 . 2 . . . . 178 GLU HB3 . 15803 1 2085 . 1 1 178 178 GLU HG2 H 1 2.249 0.006 . 2 . . . . 178 GLU HG2 . 15803 1 2086 . 1 1 178 178 GLU HG3 H 1 2.357 0.013 . 2 . . . . 178 GLU HG3 . 15803 1 2087 . 1 1 178 178 GLU C C 13 177.731 0.000 . 1 . . . . 178 GLU C . 15803 1 2088 . 1 1 178 178 GLU CA C 13 59.958 0.017 . 1 . . . . 178 GLU CA . 15803 1 2089 . 1 1 178 178 GLU CB C 13 29.878 0.091 . 1 . . . . 178 GLU CB . 15803 1 2090 . 1 1 178 178 GLU CG C 13 36.022 0.105 . 1 . . . . 178 GLU CG . 15803 1 2091 . 1 1 178 178 GLU N N 15 120.301 0.047 . 1 . . . . 178 GLU N . 15803 1 2092 . 1 1 179 179 ILE H H 1 8.271 0.009 . 1 . . . . 179 ILE H . 15803 1 2093 . 1 1 179 179 ILE HA H 1 3.397 0.008 . 1 . . . . 179 ILE HA . 15803 1 2094 . 1 1 179 179 ILE HB H 1 1.401 0.008 . 1 . . . . 179 ILE HB . 15803 1 2095 . 1 1 179 179 ILE HD11 H 1 0.525 0.008 . 1 . . . . 179 ILE HD11 . 15803 1 2096 . 1 1 179 179 ILE HD12 H 1 0.525 0.008 . 1 . . . . 179 ILE HD12 . 15803 1 2097 . 1 1 179 179 ILE HD13 H 1 0.525 0.008 . 1 . . . . 179 ILE HD13 . 15803 1 2098 . 1 1 179 179 ILE HG12 H 1 1.689 0.016 . 2 . . . . 179 ILE HG12 . 15803 1 2099 . 1 1 179 179 ILE HG13 H 1 0.705 0.013 . 2 . . . . 179 ILE HG13 . 15803 1 2100 . 1 1 179 179 ILE HG21 H 1 0.873 0.007 . 1 . . . . 179 ILE HG21 . 15803 1 2101 . 1 1 179 179 ILE HG22 H 1 0.873 0.007 . 1 . . . . 179 ILE HG22 . 15803 1 2102 . 1 1 179 179 ILE HG23 H 1 0.873 0.007 . 1 . . . . 179 ILE HG23 . 15803 1 2103 . 1 1 179 179 ILE C C 13 174.975 0.000 . 1 . . . . 179 ILE C . 15803 1 2104 . 1 1 179 179 ILE CA C 13 66.084 0.046 . 1 . . . . 179 ILE CA . 15803 1 2105 . 1 1 179 179 ILE CB C 13 38.108 0.063 . 1 . . . . 179 ILE CB . 15803 1 2106 . 1 1 179 179 ILE CD1 C 13 15.273 0.103 . 1 . . . . 179 ILE CD1 . 15803 1 2107 . 1 1 179 179 ILE CG1 C 13 27.827 0.103 . 1 . . . . 179 ILE CG1 . 15803 1 2108 . 1 1 179 179 ILE CG2 C 13 19.597 0.054 . 1 . . . . 179 ILE CG2 . 15803 1 2109 . 1 1 179 179 ILE N N 15 121.483 0.031 . 1 . . . . 179 ILE N . 15803 1 2110 . 1 1 180 180 ARG H H 1 8.605 0.004 . 1 . . . . 180 ARG H . 15803 1 2111 . 1 1 180 180 ARG HA H 1 3.655 0.003 . 1 . . . . 180 ARG HA . 15803 1 2112 . 1 1 180 180 ARG HB2 H 1 2.085 0.006 . 2 . . . . 180 ARG HB2 . 15803 1 2113 . 1 1 180 180 ARG HB3 H 1 2.087 0.009 . 2 . . . . 180 ARG HB3 . 15803 1 2114 . 1 1 180 180 ARG HD2 H 1 3.024 0.004 . 2 . . . . 180 ARG HD2 . 15803 1 2115 . 1 1 180 180 ARG HD3 H 1 3.276 0.005 . 2 . . . . 180 ARG HD3 . 15803 1 2116 . 1 1 180 180 ARG HE H 1 7.366 0.014 . 1 . . . . 180 ARG HE . 15803 1 2117 . 1 1 180 180 ARG HG2 H 1 1.435 0.005 . 2 . . . . 180 ARG HG2 . 15803 1 2118 . 1 1 180 180 ARG HG3 H 1 1.812 0.005 . 2 . . . . 180 ARG HG3 . 15803 1 2119 . 1 1 180 180 ARG C C 13 175.571 0.000 . 1 . . . . 180 ARG C . 15803 1 2120 . 1 1 180 180 ARG CA C 13 60.313 0.017 . 1 . . . . 180 ARG CA . 15803 1 2121 . 1 1 180 180 ARG CB C 13 30.362 0.088 . 1 . . . . 180 ARG CB . 15803 1 2122 . 1 1 180 180 ARG CD C 13 43.744 0.027 . 1 . . . . 180 ARG CD . 15803 1 2123 . 1 1 180 180 ARG CG C 13 26.569 0.034 . 1 . . . . 180 ARG CG . 15803 1 2124 . 1 1 180 180 ARG N N 15 120.594 0.031 . 1 . . . . 180 ARG N . 15803 1 2125 . 1 1 180 180 ARG NE N 15 113.024 0.000 . 1 . . . . 180 ARG NE . 15803 1 2126 . 1 1 181 181 THR H H 1 8.186 0.009 . 1 . . . . 181 THR H . 15803 1 2127 . 1 1 181 181 THR HA H 1 3.789 0.004 . 1 . . . . 181 THR HA . 15803 1 2128 . 1 1 181 181 THR HB H 1 4.218 0.003 . 1 . . . . 181 THR HB . 15803 1 2129 . 1 1 181 181 THR HG1 H 1 4.704 0.000 . 1 . . . . 181 THR HG1 . 15803 1 2130 . 1 1 181 181 THR HG21 H 1 1.178 0.004 . 1 . . . . 181 THR HG21 . 15803 1 2131 . 1 1 181 181 THR HG22 H 1 1.178 0.004 . 1 . . . . 181 THR HG22 . 15803 1 2132 . 1 1 181 181 THR HG23 H 1 1.178 0.004 . 1 . . . . 181 THR HG23 . 15803 1 2133 . 1 1 181 181 THR C C 13 174.230 0.000 . 1 . . . . 181 THR C . 15803 1 2134 . 1 1 181 181 THR CA C 13 66.883 0.054 . 1 . . . . 181 THR CA . 15803 1 2135 . 1 1 181 181 THR CB C 13 68.933 0.037 . 1 . . . . 181 THR CB . 15803 1 2136 . 1 1 181 181 THR CG2 C 13 21.673 0.035 . 1 . . . . 181 THR CG2 . 15803 1 2137 . 1 1 181 181 THR N N 15 115.217 0.042 . 1 . . . . 181 THR N . 15803 1 2138 . 1 1 182 182 LYS H H 1 7.673 0.004 . 1 . . . . 182 LYS H . 15803 1 2139 . 1 1 182 182 LYS HA H 1 3.996 0.006 . 1 . . . . 182 LYS HA . 15803 1 2140 . 1 1 182 182 LYS HB2 H 1 2.085 0.007 . 2 . . . . 182 LYS HB2 . 15803 1 2141 . 1 1 182 182 LYS HB3 H 1 1.870 0.009 . 2 . . . . 182 LYS HB3 . 15803 1 2142 . 1 1 182 182 LYS HD2 H 1 1.641 0.002 . 2 . . . . 182 LYS HD2 . 15803 1 2143 . 1 1 182 182 LYS HD3 H 1 1.641 0.002 . 2 . . . . 182 LYS HD3 . 15803 1 2144 . 1 1 182 182 LYS HE2 H 1 3.089 0.005 . 1 . . . . 182 LYS HE2 . 15803 1 2145 . 1 1 182 182 LYS HE3 H 1 3.089 0.005 . 1 . . . . 182 LYS HE3 . 15803 1 2146 . 1 1 182 182 LYS HG2 H 1 1.329 0.005 . 2 . . . . 182 LYS HG2 . 15803 1 2147 . 1 1 182 182 LYS HG3 H 1 1.456 0.003 . 2 . . . . 182 LYS HG3 . 15803 1 2148 . 1 1 182 182 LYS C C 13 177.027 0.000 . 1 . . . . 182 LYS C . 15803 1 2149 . 1 1 182 182 LYS CA C 13 59.453 0.114 . 1 . . . . 182 LYS CA . 15803 1 2150 . 1 1 182 182 LYS CB C 13 32.451 0.065 . 1 . . . . 182 LYS CB . 15803 1 2151 . 1 1 182 182 LYS CD C 13 30.023 0.056 . 1 . . . . 182 LYS CD . 15803 1 2152 . 1 1 182 182 LYS CE C 13 42.667 0.055 . 1 . . . . 182 LYS CE . 15803 1 2153 . 1 1 182 182 LYS CG C 13 24.885 0.020 . 1 . . . . 182 LYS CG . 15803 1 2154 . 1 1 182 182 LYS N N 15 123.532 0.044 . 1 . . . . 182 LYS N . 15803 1 2155 . 1 1 183 183 LYS H H 1 8.443 0.007 . 1 . . . . 183 LYS H . 15803 1 2156 . 1 1 183 183 LYS HA H 1 3.971 0.010 . 1 . . . . 183 LYS HA . 15803 1 2157 . 1 1 183 183 LYS HB2 H 1 1.833 0.007 . 2 . . . . 183 LYS HB2 . 15803 1 2158 . 1 1 183 183 LYS HB3 H 1 1.834 0.006 . 2 . . . . 183 LYS HB3 . 15803 1 2159 . 1 1 183 183 LYS HD2 H 1 1.642 0.001 . 2 . . . . 183 LYS HD2 . 15803 1 2160 . 1 1 183 183 LYS HD3 H 1 1.644 0.002 . 2 . . . . 183 LYS HD3 . 15803 1 2161 . 1 1 183 183 LYS HE2 H 1 2.940 0.003 . 1 . . . . 183 LYS HE2 . 15803 1 2162 . 1 1 183 183 LYS HE3 H 1 2.940 0.003 . 1 . . . . 183 LYS HE3 . 15803 1 2163 . 1 1 183 183 LYS HG2 H 1 1.462 0.004 . 2 . . . . 183 LYS HG2 . 15803 1 2164 . 1 1 183 183 LYS HG3 H 1 1.333 0.006 . 2 . . . . 183 LYS HG3 . 15803 1 2165 . 1 1 183 183 LYS C C 13 177.139 0.000 . 1 . . . . 183 LYS C . 15803 1 2166 . 1 1 183 183 LYS CA C 13 59.609 0.133 . 1 . . . . 183 LYS CA . 15803 1 2167 . 1 1 183 183 LYS CB C 13 33.491 0.056 . 1 . . . . 183 LYS CB . 15803 1 2168 . 1 1 183 183 LYS CD C 13 30.135 0.003 . 1 . . . . 183 LYS CD . 15803 1 2169 . 1 1 183 183 LYS CE C 13 41.952 0.000 . 1 . . . . 183 LYS CE . 15803 1 2170 . 1 1 183 183 LYS CG C 13 24.883 0.014 . 1 . . . . 183 LYS CG . 15803 1 2171 . 1 1 183 183 LYS N N 15 119.398 0.060 . 1 . . . . 183 LYS N . 15803 1 2172 . 1 1 184 184 MET H H 1 8.261 0.009 . 1 . . . . 184 MET H . 15803 1 2173 . 1 1 184 184 MET HA H 1 4.257 0.005 . 1 . . . . 184 MET HA . 15803 1 2174 . 1 1 184 184 MET HB2 H 1 2.182 0.011 . 2 . . . . 184 MET HB2 . 15803 1 2175 . 1 1 184 184 MET HB3 H 1 2.102 0.012 . 2 . . . . 184 MET HB3 . 15803 1 2176 . 1 1 184 184 MET HE1 H 1 2.057 0.011 . 1 . . . . 184 MET HE1 . 15803 1 2177 . 1 1 184 184 MET HE2 H 1 2.057 0.011 . 1 . . . . 184 MET HE2 . 15803 1 2178 . 1 1 184 184 MET HE3 H 1 2.057 0.011 . 1 . . . . 184 MET HE3 . 15803 1 2179 . 1 1 184 184 MET HG2 H 1 2.575 0.003 . 2 . . . . 184 MET HG2 . 15803 1 2180 . 1 1 184 184 MET HG3 H 1 2.766 0.004 . 2 . . . . 184 MET HG3 . 15803 1 2181 . 1 1 184 184 MET C C 13 175.512 0.000 . 1 . . . . 184 MET C . 15803 1 2182 . 1 1 184 184 MET CA C 13 57.606 0.032 . 1 . . . . 184 MET CA . 15803 1 2183 . 1 1 184 184 MET CB C 13 32.557 0.023 . 1 . . . . 184 MET CB . 15803 1 2184 . 1 1 184 184 MET CE C 13 16.679 0.034 . 1 . . . . 184 MET CE . 15803 1 2185 . 1 1 184 184 MET CG C 13 32.536 0.022 . 1 . . . . 184 MET CG . 15803 1 2186 . 1 1 184 184 MET N N 15 116.740 0.028 . 1 . . . . 184 MET N . 15803 1 2187 . 1 1 185 185 SER H H 1 7.728 0.003 . 1 . . . . 185 SER H . 15803 1 2188 . 1 1 185 185 SER HA H 1 4.368 0.002 . 1 . . . . 185 SER HA . 15803 1 2189 . 1 1 185 185 SER HB2 H 1 3.981 0.005 . 2 . . . . 185 SER HB2 . 15803 1 2190 . 1 1 185 185 SER HB3 H 1 3.981 0.005 . 2 . . . . 185 SER HB3 . 15803 1 2191 . 1 1 185 185 SER C C 13 172.557 0.000 . 1 . . . . 185 SER C . 15803 1 2192 . 1 1 185 185 SER CA C 13 59.845 0.011 . 1 . . . . 185 SER CA . 15803 1 2193 . 1 1 185 185 SER CB C 13 63.734 0.041 . 1 . . . . 185 SER CB . 15803 1 2194 . 1 1 185 185 SER N N 15 114.106 0.042 . 1 . . . . 185 SER N . 15803 1 2195 . 1 1 186 186 GLU H H 1 7.691 0.004 . 1 . . . . 186 GLU H . 15803 1 2196 . 1 1 186 186 GLU HA H 1 4.253 0.006 . 1 . . . . 186 GLU HA . 15803 1 2197 . 1 1 186 186 GLU HB2 H 1 1.964 0.008 . 2 . . . . 186 GLU HB2 . 15803 1 2198 . 1 1 186 186 GLU HB3 H 1 2.044 0.011 . 2 . . . . 186 GLU HB3 . 15803 1 2199 . 1 1 186 186 GLU HG2 H 1 2.236 0.008 . 2 . . . . 186 GLU HG2 . 15803 1 2200 . 1 1 186 186 GLU HG3 H 1 2.371 0.015 . 2 . . . . 186 GLU HG3 . 15803 1 2201 . 1 1 186 186 GLU C C 13 173.947 0.000 . 1 . . . . 186 GLU C . 15803 1 2202 . 1 1 186 186 GLU CA C 13 56.833 0.066 . 1 . . . . 186 GLU CA . 15803 1 2203 . 1 1 186 186 GLU CB C 13 30.341 0.060 . 1 . . . . 186 GLU CB . 15803 1 2204 . 1 1 186 186 GLU CG C 13 36.303 0.121 . 1 . . . . 186 GLU CG . 15803 1 2205 . 1 1 186 186 GLU N N 15 120.518 0.019 . 1 . . . . 186 GLU N . 15803 1 2206 . 1 1 187 187 ASN H H 1 8.078 0.006 . 1 . . . . 187 ASN H . 15803 1 2207 . 1 1 187 187 ASN HA H 1 4.693 0.003 . 1 . . . . 187 ASN HA . 15803 1 2208 . 1 1 187 187 ASN HB2 H 1 2.705 0.004 . 2 . . . . 187 ASN HB2 . 15803 1 2209 . 1 1 187 187 ASN HB3 H 1 2.840 0.004 . 2 . . . . 187 ASN HB3 . 15803 1 2210 . 1 1 187 187 ASN HD21 H 1 6.862 0.010 . 1 . . . . 187 ASN HD21 . 15803 1 2211 . 1 1 187 187 ASN HD22 H 1 7.539 0.002 . 1 . . . . 187 ASN HD22 . 15803 1 2212 . 1 1 187 187 ASN C C 13 171.738 0.000 . 1 . . . . 187 ASN C . 15803 1 2213 . 1 1 187 187 ASN CA C 13 53.448 0.003 . 1 . . . . 187 ASN CA . 15803 1 2214 . 1 1 187 187 ASN CB C 13 38.874 0.049 . 1 . . . . 187 ASN CB . 15803 1 2215 . 1 1 187 187 ASN N N 15 119.052 0.042 . 1 . . . . 187 ASN N . 15803 1 2216 . 1 1 187 187 ASN ND2 N 15 112.457 0.047 . 1 . . . . 187 ASN ND2 . 15803 1 2217 . 1 1 188 188 LYS H H 1 7.760 0.006 . 1 . . . . 188 LYS H . 15803 1 2218 . 1 1 188 188 LYS HA H 1 4.110 0.006 . 1 . . . . 188 LYS HA . 15803 1 2219 . 1 1 188 188 LYS HB2 H 1 1.665 0.004 . 2 . . . . 188 LYS HB2 . 15803 1 2220 . 1 1 188 188 LYS HB3 H 1 1.789 0.004 . 2 . . . . 188 LYS HB3 . 15803 1 2221 . 1 1 188 188 LYS HD2 H 1 1.621 0.006 . 2 . . . . 188 LYS HD2 . 15803 1 2222 . 1 1 188 188 LYS HD3 H 1 1.621 0.006 . 2 . . . . 188 LYS HD3 . 15803 1 2223 . 1 1 188 188 LYS HE2 H 1 2.934 0.005 . 2 . . . . 188 LYS HE2 . 15803 1 2224 . 1 1 188 188 LYS HE3 H 1 2.934 0.005 . 2 . . . . 188 LYS HE3 . 15803 1 2225 . 1 1 188 188 LYS HG2 H 1 1.340 0.011 . 1 . . . . 188 LYS HG2 . 15803 1 2226 . 1 1 188 188 LYS HG3 H 1 1.340 0.011 . 1 . . . . 188 LYS HG3 . 15803 1 2227 . 1 1 188 188 LYS CA C 13 57.736 0.018 . 1 . . . . 188 LYS CA . 15803 1 2228 . 1 1 188 188 LYS CB C 13 33.699 0.037 . 1 . . . . 188 LYS CB . 15803 1 2229 . 1 1 188 188 LYS CD C 13 29.154 0.049 . 1 . . . . 188 LYS CD . 15803 1 2230 . 1 1 188 188 LYS CE C 13 42.082 0.045 . 1 . . . . 188 LYS CE . 15803 1 2231 . 1 1 188 188 LYS CG C 13 24.845 0.022 . 1 . . . . 188 LYS CG . 15803 1 2232 . 1 1 188 188 LYS N N 15 126.123 0.037 . 1 . . . . 188 LYS N . 15803 1 2233 . 3 3 1 1 GNP H1 H 1 13.068 0.028 . 1 . . . . 500 GNP H1 . 15803 1 2234 . 3 3 1 1 GNP H21 H 1 6.283 0.008 . 1 . . . . 500 GNP H21 . 15803 1 2235 . 3 3 1 1 GNP H22 H 1 6.283 0.008 . 1 . . . . 500 GNP H22 . 15803 1 stop_ save_