data_15684 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15684 _Entry.Title ; rat lipocalin 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-17 _Entry.Accession_date 2008-03-17 _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 Zhang Fang . . . 15684 2 Lou Lili . . . 15684 3 Gao Hongchang . . . 15684 4 Lin Donghai . . . 15684 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15684 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 647 15684 '15N chemical shifts' 175 15684 '1H chemical shifts' 1168 15684 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 . . 2009-08-13 2008-03-17 update BMRB 'added PubMed ID' 15684 2 . . 2009-06-05 2008-03-17 update BMRB 'completed entry citation' 15684 1 . . 2009-03-17 2008-03-17 original author 'original release' 15684 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15684 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636955 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain 1H, 13C, 15N resonance assignments of rat lipocalin2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 95 _Citation.Page_last 97 _Citation.Year 2009 _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 Fang Zhang . . . 15684 1 2 Chenyun Guo . . . 15684 1 3 Lili Lou . . . 15684 1 4 Donghai Lin . . . 15684 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15684 _Assembly.ID 1 _Assembly.Name lipocalin _Assembly.BMRB_code . _Assembly.Number_of_components . _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 whole 1 $rat_lipocalin_2 A . yes native no no . . . 15684 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 177 177 SG . . . . . . . . . . 15684 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rat_lipocalin_2 _Entity.Sf_category entity _Entity.Sf_framecode rat_lipocalin_2 _Entity.Entry_ID 15684 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rat_lipocalin_2 _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 ; GSQDSTQNLIPAPPLISVPL QPGFWTERFQGRWFVVGLAG NAVQKERQSRFTMYSTIYEL QEDNSYNVTSILVRGQGCRY WIRTFVPSSRPGQFTLGNIH SYPQIQSYDVQVADTDYDQF AMVFFQKTSENKQYFKVTLY GRTKGLSDELKERFVSFAKS LGLKDNNIVFSVPTDQCIDN LEHHHHHH ; _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 disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 PDB 2K23 . "Solution Structure Analysis Of The Rlcn2" . . . . . 94.68 178 100.00 100.00 2.63e-128 . . . . 15684 1 2 no EMBL CAA31657 . "unnamed protein product [Rattus norvegicus]" . . . . . 95.21 198 98.88 99.44 5.47e-128 . . . . 15684 1 3 no GB AAB35994 . "neu-related lipocalin, NRL=SV40-induced 24p3 gene product homolog {clone 7} [rats, Wistar Furth, neu-initiated mammary carcinom" . . . . . 95.21 198 99.44 100.00 1.13e-128 . . . . 15684 1 4 no GB AAH89053 . "Lipocalin 2 [Rattus norvegicus]" . . . . . 95.21 198 99.44 100.00 1.13e-128 . . . . 15684 1 5 no GB EDL93236 . "lipocalin 2, isoform CRA_a [Rattus norvegicus]" . . . . . 95.21 198 99.44 100.00 1.13e-128 . . . . 15684 1 6 no REF NP_570097 . "neutrophil gelatinase-associated lipocalin precursor [Rattus norvegicus]" . . . . . 95.21 198 98.88 99.44 5.47e-128 . . . . 15684 1 7 no SP P30152 . "RecName: Full=Neutrophil gelatinase-associated lipocalin; Short=NGAL; AltName: Full=Alpha-2-microglobulin-related protein; AltN" . . . . . 95.21 198 99.44 100.00 1.13e-128 . . . . 15684 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 -1 GLY . 15684 1 2 0 SER . 15684 1 3 1 GLN . 15684 1 4 2 ASP . 15684 1 5 3 SER . 15684 1 6 4 THR . 15684 1 7 5 GLN . 15684 1 8 6 ASN . 15684 1 9 7 LEU . 15684 1 10 8 ILE . 15684 1 11 9 PRO . 15684 1 12 10 ALA . 15684 1 13 11 PRO . 15684 1 14 12 PRO . 15684 1 15 13 LEU . 15684 1 16 14 ILE . 15684 1 17 15 SER . 15684 1 18 16 VAL . 15684 1 19 17 PRO . 15684 1 20 18 LEU . 15684 1 21 19 GLN . 15684 1 22 20 PRO . 15684 1 23 21 GLY . 15684 1 24 22 PHE . 15684 1 25 23 TRP . 15684 1 26 24 THR . 15684 1 27 25 GLU . 15684 1 28 26 ARG . 15684 1 29 27 PHE . 15684 1 30 28 GLN . 15684 1 31 29 GLY . 15684 1 32 30 ARG . 15684 1 33 31 TRP . 15684 1 34 32 PHE . 15684 1 35 33 VAL . 15684 1 36 34 VAL . 15684 1 37 35 GLY . 15684 1 38 36 LEU . 15684 1 39 37 ALA . 15684 1 40 38 GLY . 15684 1 41 39 ASN . 15684 1 42 40 ALA . 15684 1 43 41 VAL . 15684 1 44 42 GLN . 15684 1 45 43 LYS . 15684 1 46 44 GLU . 15684 1 47 45 ARG . 15684 1 48 46 GLN . 15684 1 49 47 SER . 15684 1 50 48 ARG . 15684 1 51 49 PHE . 15684 1 52 50 THR . 15684 1 53 51 MET . 15684 1 54 52 TYR . 15684 1 55 53 SER . 15684 1 56 54 THR . 15684 1 57 55 ILE . 15684 1 58 56 TYR . 15684 1 59 57 GLU . 15684 1 60 58 LEU . 15684 1 61 59 GLN . 15684 1 62 60 GLU . 15684 1 63 61 ASP . 15684 1 64 62 ASN . 15684 1 65 63 SER . 15684 1 66 64 TYR . 15684 1 67 65 ASN . 15684 1 68 66 VAL . 15684 1 69 67 THR . 15684 1 70 68 SER . 15684 1 71 69 ILE . 15684 1 72 70 LEU . 15684 1 73 71 VAL . 15684 1 74 72 ARG . 15684 1 75 73 GLY . 15684 1 76 74 GLN . 15684 1 77 75 GLY . 15684 1 78 76 CYS . 15684 1 79 77 ARG . 15684 1 80 78 TYR . 15684 1 81 79 TRP . 15684 1 82 80 ILE . 15684 1 83 81 ARG . 15684 1 84 82 THR . 15684 1 85 83 PHE . 15684 1 86 84 VAL . 15684 1 87 85 PRO . 15684 1 88 86 SER . 15684 1 89 87 SER . 15684 1 90 88 ARG . 15684 1 91 89 PRO . 15684 1 92 90 GLY . 15684 1 93 91 GLN . 15684 1 94 92 PHE . 15684 1 95 93 THR . 15684 1 96 94 LEU . 15684 1 97 95 GLY . 15684 1 98 96 ASN . 15684 1 99 97 ILE . 15684 1 100 98 HIS . 15684 1 101 99 SER . 15684 1 102 100 TYR . 15684 1 103 101 PRO . 15684 1 104 102 GLN . 15684 1 105 103 ILE . 15684 1 106 104 GLN . 15684 1 107 105 SER . 15684 1 108 106 TYR . 15684 1 109 107 ASP . 15684 1 110 108 VAL . 15684 1 111 109 GLN . 15684 1 112 110 VAL . 15684 1 113 111 ALA . 15684 1 114 112 ASP . 15684 1 115 113 THR . 15684 1 116 114 ASP . 15684 1 117 115 TYR . 15684 1 118 116 ASP . 15684 1 119 117 GLN . 15684 1 120 118 PHE . 15684 1 121 119 ALA . 15684 1 122 120 MET . 15684 1 123 121 VAL . 15684 1 124 122 PHE . 15684 1 125 123 PHE . 15684 1 126 124 GLN . 15684 1 127 125 LYS . 15684 1 128 126 THR . 15684 1 129 127 SER . 15684 1 130 128 GLU . 15684 1 131 129 ASN . 15684 1 132 130 LYS . 15684 1 133 131 GLN . 15684 1 134 132 TYR . 15684 1 135 133 PHE . 15684 1 136 134 LYS . 15684 1 137 135 VAL . 15684 1 138 136 THR . 15684 1 139 137 LEU . 15684 1 140 138 TYR . 15684 1 141 139 GLY . 15684 1 142 140 ARG . 15684 1 143 141 THR . 15684 1 144 142 LYS . 15684 1 145 143 GLY . 15684 1 146 144 LEU . 15684 1 147 145 SER . 15684 1 148 146 ASP . 15684 1 149 147 GLU . 15684 1 150 148 LEU . 15684 1 151 149 LYS . 15684 1 152 150 GLU . 15684 1 153 151 ARG . 15684 1 154 152 PHE . 15684 1 155 153 VAL . 15684 1 156 154 SER . 15684 1 157 155 PHE . 15684 1 158 156 ALA . 15684 1 159 157 LYS . 15684 1 160 158 SER . 15684 1 161 159 LEU . 15684 1 162 160 GLY . 15684 1 163 161 LEU . 15684 1 164 162 LYS . 15684 1 165 163 ASP . 15684 1 166 164 ASN . 15684 1 167 165 ASN . 15684 1 168 166 ILE . 15684 1 169 167 VAL . 15684 1 170 168 PHE . 15684 1 171 169 SER . 15684 1 172 170 VAL . 15684 1 173 171 PRO . 15684 1 174 172 THR . 15684 1 175 173 ASP . 15684 1 176 174 GLN . 15684 1 177 175 CYS . 15684 1 178 176 ILE . 15684 1 179 177 ASP . 15684 1 180 178 ASN . 15684 1 181 179 LEU . 15684 1 182 180 GLU . 15684 1 183 181 HIS . 15684 1 184 182 HIS . 15684 1 185 183 HIS . 15684 1 186 184 HIS . 15684 1 187 185 HIS . 15684 1 188 186 HIS . 15684 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 15684 1 . SER 2 2 15684 1 . GLN 3 3 15684 1 . ASP 4 4 15684 1 . SER 5 5 15684 1 . THR 6 6 15684 1 . GLN 7 7 15684 1 . ASN 8 8 15684 1 . LEU 9 9 15684 1 . ILE 10 10 15684 1 . PRO 11 11 15684 1 . ALA 12 12 15684 1 . PRO 13 13 15684 1 . PRO 14 14 15684 1 . LEU 15 15 15684 1 . ILE 16 16 15684 1 . SER 17 17 15684 1 . VAL 18 18 15684 1 . PRO 19 19 15684 1 . LEU 20 20 15684 1 . GLN 21 21 15684 1 . PRO 22 22 15684 1 . GLY 23 23 15684 1 . PHE 24 24 15684 1 . TRP 25 25 15684 1 . THR 26 26 15684 1 . GLU 27 27 15684 1 . ARG 28 28 15684 1 . PHE 29 29 15684 1 . GLN 30 30 15684 1 . GLY 31 31 15684 1 . ARG 32 32 15684 1 . TRP 33 33 15684 1 . PHE 34 34 15684 1 . VAL 35 35 15684 1 . VAL 36 36 15684 1 . GLY 37 37 15684 1 . LEU 38 38 15684 1 . ALA 39 39 15684 1 . GLY 40 40 15684 1 . ASN 41 41 15684 1 . ALA 42 42 15684 1 . VAL 43 43 15684 1 . GLN 44 44 15684 1 . LYS 45 45 15684 1 . GLU 46 46 15684 1 . ARG 47 47 15684 1 . GLN 48 48 15684 1 . SER 49 49 15684 1 . ARG 50 50 15684 1 . PHE 51 51 15684 1 . THR 52 52 15684 1 . MET 53 53 15684 1 . TYR 54 54 15684 1 . SER 55 55 15684 1 . THR 56 56 15684 1 . ILE 57 57 15684 1 . TYR 58 58 15684 1 . GLU 59 59 15684 1 . LEU 60 60 15684 1 . GLN 61 61 15684 1 . GLU 62 62 15684 1 . ASP 63 63 15684 1 . ASN 64 64 15684 1 . SER 65 65 15684 1 . TYR 66 66 15684 1 . ASN 67 67 15684 1 . VAL 68 68 15684 1 . THR 69 69 15684 1 . SER 70 70 15684 1 . ILE 71 71 15684 1 . LEU 72 72 15684 1 . VAL 73 73 15684 1 . ARG 74 74 15684 1 . GLY 75 75 15684 1 . GLN 76 76 15684 1 . GLY 77 77 15684 1 . CYS 78 78 15684 1 . ARG 79 79 15684 1 . TYR 80 80 15684 1 . TRP 81 81 15684 1 . ILE 82 82 15684 1 . ARG 83 83 15684 1 . THR 84 84 15684 1 . PHE 85 85 15684 1 . VAL 86 86 15684 1 . PRO 87 87 15684 1 . SER 88 88 15684 1 . SER 89 89 15684 1 . ARG 90 90 15684 1 . PRO 91 91 15684 1 . GLY 92 92 15684 1 . GLN 93 93 15684 1 . PHE 94 94 15684 1 . THR 95 95 15684 1 . LEU 96 96 15684 1 . GLY 97 97 15684 1 . ASN 98 98 15684 1 . ILE 99 99 15684 1 . HIS 100 100 15684 1 . SER 101 101 15684 1 . TYR 102 102 15684 1 . PRO 103 103 15684 1 . GLN 104 104 15684 1 . ILE 105 105 15684 1 . GLN 106 106 15684 1 . SER 107 107 15684 1 . TYR 108 108 15684 1 . ASP 109 109 15684 1 . VAL 110 110 15684 1 . GLN 111 111 15684 1 . VAL 112 112 15684 1 . ALA 113 113 15684 1 . ASP 114 114 15684 1 . THR 115 115 15684 1 . ASP 116 116 15684 1 . TYR 117 117 15684 1 . ASP 118 118 15684 1 . GLN 119 119 15684 1 . PHE 120 120 15684 1 . ALA 121 121 15684 1 . MET 122 122 15684 1 . VAL 123 123 15684 1 . PHE 124 124 15684 1 . PHE 125 125 15684 1 . GLN 126 126 15684 1 . LYS 127 127 15684 1 . THR 128 128 15684 1 . SER 129 129 15684 1 . GLU 130 130 15684 1 . ASN 131 131 15684 1 . LYS 132 132 15684 1 . GLN 133 133 15684 1 . TYR 134 134 15684 1 . PHE 135 135 15684 1 . LYS 136 136 15684 1 . VAL 137 137 15684 1 . THR 138 138 15684 1 . LEU 139 139 15684 1 . TYR 140 140 15684 1 . GLY 141 141 15684 1 . ARG 142 142 15684 1 . THR 143 143 15684 1 . LYS 144 144 15684 1 . GLY 145 145 15684 1 . LEU 146 146 15684 1 . SER 147 147 15684 1 . ASP 148 148 15684 1 . GLU 149 149 15684 1 . LEU 150 150 15684 1 . LYS 151 151 15684 1 . GLU 152 152 15684 1 . ARG 153 153 15684 1 . PHE 154 154 15684 1 . VAL 155 155 15684 1 . SER 156 156 15684 1 . PHE 157 157 15684 1 . ALA 158 158 15684 1 . LYS 159 159 15684 1 . SER 160 160 15684 1 . LEU 161 161 15684 1 . GLY 162 162 15684 1 . LEU 163 163 15684 1 . LYS 164 164 15684 1 . ASP 165 165 15684 1 . ASN 166 166 15684 1 . ASN 167 167 15684 1 . ILE 168 168 15684 1 . VAL 169 169 15684 1 . PHE 170 170 15684 1 . SER 171 171 15684 1 . VAL 172 172 15684 1 . PRO 173 173 15684 1 . THR 174 174 15684 1 . ASP 175 175 15684 1 . GLN 176 176 15684 1 . CYS 177 177 15684 1 . ILE 178 178 15684 1 . ASP 179 179 15684 1 . ASN 180 180 15684 1 . LEU 181 181 15684 1 . GLU 182 182 15684 1 . HIS 183 183 15684 1 . HIS 184 184 15684 1 . HIS 185 185 15684 1 . HIS 186 186 15684 1 . HIS 187 187 15684 1 . HIS 188 188 15684 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15684 _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 $rat_lipocalin_2 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15684 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 15684 _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 $rat_lipocalin_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet22b . . . . . . 15684 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15684 _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 'rat lipocalin 2' '[U-99% 13C; U-99% 15N]' . . 1 $rat_lipocalin_2 . . 0.8 . . mM . . . . 15684 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15684 _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' 0.17 . M 15684 1 pH 6.0 0.1 pH 15684 1 pressure 1 . atm 15684 1 temperature 298 0.05 K 15684 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15684 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15684 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15684 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15684 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15684 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15684 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 15684 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15684 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15684 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 15684 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15684 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15684 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15684 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15684 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 15684 _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 internal indirect 0.251449530 . . . . . . . . . 15684 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15684 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15684 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 15684 _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 '3D HNCACB' . . . 15684 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 GLN H H 1 8.683 0.005 . . . . . . 1 Q HN . 15684 1 2 . 1 1 3 3 GLN HA H 1 4.409 0.017 . . . . . . 1 Q HA . 15684 1 3 . 1 1 3 3 GLN HB2 H 1 2.149 0.008 . . . . . . 1 Q HB1 . 15684 1 4 . 1 1 3 3 GLN HB3 H 1 1.993 0.006 . . . . . . 1 Q HB2 . 15684 1 5 . 1 1 3 3 GLN HG2 H 1 2.384 0.000 . . . . . . 1 Q HG# . 15684 1 6 . 1 1 3 3 GLN HG3 H 1 2.384 0.000 . . . . . . 1 Q HG# . 15684 1 7 . 1 1 3 3 GLN C C 13 175.772 0.000 . . . . . . 1 Q CO . 15684 1 8 . 1 1 3 3 GLN CA C 13 56.206 0.131 . . . . . . 1 Q CA . 15684 1 9 . 1 1 3 3 GLN CB C 13 29.320 0.030 . . . . . . 1 Q CB . 15684 1 10 . 1 1 3 3 GLN CG C 13 33.977 0.000 . . . . . . 1 Q CG . 15684 1 11 . 1 1 3 3 GLN N N 15 121.863 0.073 . . . . . . 1 Q N . 15684 1 12 . 1 1 4 4 ASP H H 1 8.238 0.003 . . . . . . 2 D HN . 15684 1 13 . 1 1 4 4 ASP HA H 1 4.642 0.006 . . . . . . 2 D HA . 15684 1 14 . 1 1 4 4 ASP HB2 H 1 2.715 0.015 . . . . . . 2 D HB# . 15684 1 15 . 1 1 4 4 ASP HB3 H 1 2.715 0.015 . . . . . . 2 D HB# . 15684 1 16 . 1 1 4 4 ASP C C 13 176.524 0.000 . . . . . . 2 D CO . 15684 1 17 . 1 1 4 4 ASP CA C 13 54.537 0.086 . . . . . . 2 D CA . 15684 1 18 . 1 1 4 4 ASP CB C 13 41.266 0.068 . . . . . . 2 D CB . 15684 1 19 . 1 1 4 4 ASP N N 15 121.191 0.100 . . . . . . 2 D N . 15684 1 20 . 1 1 5 5 SER H H 1 8.369 0.002 . . . . . . 3 S HN . 15684 1 21 . 1 1 5 5 SER HA H 1 4.513 0.008 . . . . . . 3 S HA . 15684 1 22 . 1 1 5 5 SER HB2 H 1 3.939 0.015 . . . . . . 3 S HB# . 15684 1 23 . 1 1 5 5 SER HB3 H 1 3.939 0.015 . . . . . . 3 S HB# . 15684 1 24 . 1 1 5 5 SER C C 13 175.138 0.000 . . . . . . 3 S CO . 15684 1 25 . 1 1 5 5 SER CA C 13 58.664 0.100 . . . . . . 3 S CA . 15684 1 26 . 1 1 5 5 SER CB C 13 63.613 0.028 . . . . . . 3 S CB . 15684 1 27 . 1 1 5 5 SER N N 15 116.671 0.026 . . . . . . 3 S N . 15684 1 28 . 1 1 6 6 THR H H 1 8.270 0.003 . . . . . . 4 T HN . 15684 1 29 . 1 1 6 6 THR HA H 1 4.329 0.015 . . . . . . 4 T HA . 15684 1 30 . 1 1 6 6 THR HB H 1 4.308 0.021 . . . . . . 4 T HB . 15684 1 31 . 1 1 6 6 THR HG21 H 1 1.235 0.007 . . . . . . 4 T HG21 . 15684 1 32 . 1 1 6 6 THR HG22 H 1 1.235 0.007 . . . . . . 4 T HG21 . 15684 1 33 . 1 1 6 6 THR HG23 H 1 1.235 0.007 . . . . . . 4 T HG21 . 15684 1 34 . 1 1 6 6 THR C C 13 174.651 0.000 . . . . . . 4 T CO . 15684 1 35 . 1 1 6 6 THR CA C 13 62.337 0.066 . . . . . . 4 T CA . 15684 1 36 . 1 1 6 6 THR CB C 13 69.401 0.040 . . . . . . 4 T CB . 15684 1 37 . 1 1 6 6 THR CG2 C 13 21.699 0.098 . . . . . . 4 T CG2 . 15684 1 38 . 1 1 6 6 THR N N 15 115.529 0.015 . . . . . . 4 T N . 15684 1 39 . 1 1 7 7 GLN H H 1 8.238 0.005 . . . . . . 5 Q HN . 15684 1 40 . 1 1 7 7 GLN HA H 1 4.350 0.012 . . . . . . 5 Q HA . 15684 1 41 . 1 1 7 7 GLN HB2 H 1 2.124 0.020 . . . . . . 5 Q HB1 . 15684 1 42 . 1 1 7 7 GLN HB3 H 1 1.976 0.006 . . . . . . 5 Q HB2 . 15684 1 43 . 1 1 7 7 GLN HG2 H 1 2.360 0.011 . . . . . . 5 Q HG# . 15684 1 44 . 1 1 7 7 GLN HG3 H 1 2.360 0.011 . . . . . . 5 Q HG# . 15684 1 45 . 1 1 7 7 GLN C C 13 175.400 0.000 . . . . . . 5 Q CO . 15684 1 46 . 1 1 7 7 GLN CA C 13 55.807 0.046 . . . . . . 5 Q CA . 15684 1 47 . 1 1 7 7 GLN CB C 13 29.599 0.108 . . . . . . 5 Q CB . 15684 1 48 . 1 1 7 7 GLN CG C 13 33.798 0.067 . . . . . . 5 Q CG . 15684 1 49 . 1 1 7 7 GLN N N 15 122.035 0.022 . . . . . . 5 Q N . 15684 1 50 . 1 1 8 8 ASN H H 1 8.391 0.005 . . . . . . 6 N HN . 15684 1 51 . 1 1 8 8 ASN HA H 1 4.727 0.016 . . . . . . 6 N HA . 15684 1 52 . 1 1 8 8 ASN HB2 H 1 2.803 0.003 . . . . . . 6 N HB1 . 15684 1 53 . 1 1 8 8 ASN HB3 H 1 2.748 0.020 . . . . . . 6 N HB2 . 15684 1 54 . 1 1 8 8 ASN C C 13 174.617 0.000 . . . . . . 6 N CO . 15684 1 55 . 1 1 8 8 ASN CA C 13 53.103 0.046 . . . . . . 6 N CA . 15684 1 56 . 1 1 8 8 ASN CB C 13 39.042 0.098 . . . . . . 6 N CB . 15684 1 57 . 1 1 8 8 ASN N N 15 120.432 0.033 . . . . . . 6 N N . 15684 1 58 . 1 1 9 9 LEU H H 1 8.191 0.005 . . . . . . 7 L HN . 15684 1 59 . 1 1 9 9 LEU HA H 1 4.540 0.011 . . . . . . 7 L HA . 15684 1 60 . 1 1 9 9 LEU HB2 H 1 1.540 0.015 . . . . . . 7 L HB1 . 15684 1 61 . 1 1 9 9 LEU HB3 H 1 1.519 0.027 . . . . . . 7 L HB2 . 15684 1 62 . 1 1 9 9 LEU HD11 H 1 0.722 0.015 . . . . . . 7 L HD11 . 15684 1 63 . 1 1 9 9 LEU HD12 H 1 0.722 0.015 . . . . . . 7 L HD11 . 15684 1 64 . 1 1 9 9 LEU HD13 H 1 0.722 0.015 . . . . . . 7 L HD11 . 15684 1 65 . 1 1 9 9 LEU HD21 H 1 0.716 0.020 . . . . . . 7 L HD21 . 15684 1 66 . 1 1 9 9 LEU HD22 H 1 0.716 0.020 . . . . . . 7 L HD21 . 15684 1 67 . 1 1 9 9 LEU HD23 H 1 0.716 0.020 . . . . . . 7 L HD21 . 15684 1 68 . 1 1 9 9 LEU HG H 1 1.549 0.009 . . . . . . 7 L HG . 15684 1 69 . 1 1 9 9 LEU C C 13 177.519 0.000 . . . . . . 7 L CO . 15684 1 70 . 1 1 9 9 LEU CA C 13 54.271 0.050 . . . . . . 7 L CA . 15684 1 71 . 1 1 9 9 LEU CB C 13 43.078 0.068 . . . . . . 7 L CB . 15684 1 72 . 1 1 9 9 LEU CD1 C 13 23.620 0.048 . . . . . . 7 L CD1 . 15684 1 73 . 1 1 9 9 LEU CD2 C 13 25.389 0.128 . . . . . . 7 L CD2 . 15684 1 74 . 1 1 9 9 LEU CG C 13 26.912 0.046 . . . . . . 7 L CG . 15684 1 75 . 1 1 9 9 LEU N N 15 123.336 0.043 . . . . . . 7 L N . 15684 1 76 . 1 1 10 10 ILE H H 1 8.800 0.007 . . . . . . 8 I HN . 15684 1 77 . 1 1 10 10 ILE HA H 1 4.311 0.006 . . . . . . 8 I HA . 15684 1 78 . 1 1 10 10 ILE HB H 1 1.803 0.014 . . . . . . 8 I HB . 15684 1 79 . 1 1 10 10 ILE HD11 H 1 1.066 0.008 . . . . . . 8 I HD11 . 15684 1 80 . 1 1 10 10 ILE HD12 H 1 1.066 0.008 . . . . . . 8 I HD11 . 15684 1 81 . 1 1 10 10 ILE HD13 H 1 1.066 0.008 . . . . . . 8 I HD11 . 15684 1 82 . 1 1 10 10 ILE HG12 H 1 1.351 0.004 . . . . . . 8 I HG11 . 15684 1 83 . 1 1 10 10 ILE HG21 H 1 1.180 0.009 . . . . . . 8 I HG21 . 15684 1 84 . 1 1 10 10 ILE HG22 H 1 1.180 0.009 . . . . . . 8 I HG21 . 15684 1 85 . 1 1 10 10 ILE HG23 H 1 1.180 0.009 . . . . . . 8 I HG21 . 15684 1 86 . 1 1 10 10 ILE CA C 13 60.283 0.031 . . . . . . 8 I CA . 15684 1 87 . 1 1 10 10 ILE CB C 13 39.522 0.041 . . . . . . 8 I CB . 15684 1 88 . 1 1 10 10 ILE CD1 C 13 14.293 0.007 . . . . . . 8 I CD1 . 15684 1 89 . 1 1 10 10 ILE CG1 C 13 28.267 0.000 . . . . . . 8 I CG1 . 15684 1 90 . 1 1 10 10 ILE CG2 C 13 16.614 0.010 . . . . . . 8 I CG2 . 15684 1 91 . 1 1 10 10 ILE N N 15 126.755 0.051 . . . . . . 8 I N . 15684 1 92 . 1 1 11 11 PRO HA H 1 4.472 0.009 . . . . . . 9 P HA . 15684 1 93 . 1 1 11 11 PRO HB2 H 1 1.834 0.007 . . . . . . 9 P HB1 . 15684 1 94 . 1 1 11 11 PRO HB3 H 1 2.287 0.015 . . . . . . 9 P HB2 . 15684 1 95 . 1 1 11 11 PRO HD2 H 1 3.914 0.025 . . . . . . 9 P HD1 . 15684 1 96 . 1 1 11 11 PRO HD3 H 1 3.740 0.019 . . . . . . 9 P HD2 . 15684 1 97 . 1 1 11 11 PRO HG2 H 1 2.012 0.014 . . . . . . 9 P HG# . 15684 1 98 . 1 1 11 11 PRO HG3 H 1 2.012 0.014 . . . . . . 9 P HG# . 15684 1 99 . 1 1 11 11 PRO C C 13 175.745 0.000 . . . . . . 9 P CO . 15684 1 100 . 1 1 11 11 PRO CA C 13 62.476 0.064 . . . . . . 9 P CA . 15684 1 101 . 1 1 11 11 PRO CB C 13 32.328 0.078 . . . . . . 9 P CB . 15684 1 102 . 1 1 11 11 PRO CD C 13 51.019 0.000 . . . . . . 9 P CD . 15684 1 103 . 1 1 11 11 PRO CG C 13 27.587 0.083 . . . . . . 9 P CG . 15684 1 104 . 1 1 12 12 ALA H H 1 8.084 0.005 . . . . . . 10 A HN . 15684 1 105 . 1 1 12 12 ALA HA H 1 3.946 0.009 . . . . . . 10 A HA . 15684 1 106 . 1 1 12 12 ALA HB1 H 1 1.060 0.009 . . . . . . 10 A HB1 . 15684 1 107 . 1 1 12 12 ALA HB2 H 1 1.060 0.009 . . . . . . 10 A HB1 . 15684 1 108 . 1 1 12 12 ALA HB3 H 1 1.060 0.009 . . . . . . 10 A HB1 . 15684 1 109 . 1 1 12 12 ALA CA C 13 49.665 0.066 . . . . . . 10 A CA . 15684 1 110 . 1 1 12 12 ALA CB C 13 17.643 0.380 . . . . . . 10 A CB . 15684 1 111 . 1 1 12 12 ALA N N 15 123.075 0.023 . . . . . . 10 A N . 15684 1 112 . 1 1 13 13 PRO HA H 1 4.322 0.000 . . . . . . 11 P HA . 15684 1 113 . 1 1 13 13 PRO HB2 H 1 1.943 0.000 . . . . . . 11 P HB# . 15684 1 114 . 1 1 13 13 PRO HB3 H 1 1.943 0.000 . . . . . . 11 P HB# . 15684 1 115 . 1 1 13 13 PRO HD2 H 1 2.504 0.010 . . . . . . 11 P HD# . 15684 1 116 . 1 1 13 13 PRO HD3 H 1 2.504 0.010 . . . . . . 11 P HD# . 15684 1 117 . 1 1 13 13 PRO HG2 H 1 1.552 0.001 . . . . . . 11 P HG# . 15684 1 118 . 1 1 13 13 PRO HG3 H 1 1.552 0.001 . . . . . . 11 P HG# . 15684 1 119 . 1 1 14 14 PRO HA H 1 4.313 0.008 . . . . . . 12 P HA . 15684 1 120 . 1 1 14 14 PRO HB2 H 1 2.230 0.099 . . . . . . 12 P HB1 . 15684 1 121 . 1 1 14 14 PRO HB3 H 1 1.981 0.004 . . . . . . 12 P HB2 . 15684 1 122 . 1 1 14 14 PRO HD2 H 1 3.756 0.008 . . . . . . 12 P HD# . 15684 1 123 . 1 1 14 14 PRO HD3 H 1 3.756 0.008 . . . . . . 12 P HD# . 15684 1 124 . 1 1 14 14 PRO HG2 H 1 1.775 0.014 . . . . . . 12 P HG# . 15684 1 125 . 1 1 14 14 PRO HG3 H 1 1.775 0.014 . . . . . . 12 P HG# . 15684 1 126 . 1 1 14 14 PRO C C 13 178.804 0.000 . . . . . . 12 P CO . 15684 1 127 . 1 1 14 14 PRO CA C 13 62.172 0.037 . . . . . . 12 P CA . 15684 1 128 . 1 1 14 14 PRO CB C 13 31.931 0.000 . . . . . . 12 P CB . 15684 1 129 . 1 1 14 14 PRO CD C 13 49.704 0.059 . . . . . . 12 P CD . 15684 1 130 . 1 1 14 14 PRO CG C 13 31.824 0.047 . . . . . . 12 P CG . 15684 1 131 . 1 1 15 15 LEU H H 1 8.474 0.003 . . . . . . 13 L HN . 15684 1 132 . 1 1 15 15 LEU HA H 1 3.599 0.007 . . . . . . 13 L HA . 15684 1 133 . 1 1 15 15 LEU HB2 H 1 1.557 0.011 . . . . . . 13 L HB# . 15684 1 134 . 1 1 15 15 LEU HB3 H 1 1.557 0.011 . . . . . . 13 L HB# . 15684 1 135 . 1 1 15 15 LEU HD11 H 1 0.728 0.010 . . . . . . 13 L HD11 . 15684 1 136 . 1 1 15 15 LEU HD12 H 1 0.728 0.010 . . . . . . 13 L HD11 . 15684 1 137 . 1 1 15 15 LEU HD13 H 1 0.728 0.010 . . . . . . 13 L HD11 . 15684 1 138 . 1 1 15 15 LEU HD21 H 1 0.726 0.004 . . . . . . 13 L HD21 . 15684 1 139 . 1 1 15 15 LEU HD22 H 1 0.726 0.004 . . . . . . 13 L HD21 . 15684 1 140 . 1 1 15 15 LEU HD23 H 1 0.726 0.004 . . . . . . 13 L HD21 . 15684 1 141 . 1 1 15 15 LEU HG H 1 1.561 0.008 . . . . . . 13 L HG . 15684 1 142 . 1 1 15 15 LEU C C 13 179.467 0.000 . . . . . . 13 L CO . 15684 1 143 . 1 1 15 15 LEU CA C 13 58.170 0.056 . . . . . . 13 L CA . 15684 1 144 . 1 1 15 15 LEU CB C 13 41.096 0.083 . . . . . . 13 L CB . 15684 1 145 . 1 1 15 15 LEU CD1 C 13 24.552 0.046 . . . . . . 13 L CD1 . 15684 1 146 . 1 1 15 15 LEU CD2 C 13 23.983 0.050 . . . . . . 13 L CD2 . 15684 1 147 . 1 1 15 15 LEU CG C 13 26.920 0.107 . . . . . . 13 L CG . 15684 1 148 . 1 1 15 15 LEU N N 15 127.695 0.041 . . . . . . 13 L N . 15684 1 149 . 1 1 16 16 ILE H H 1 7.902 0.012 . . . . . . 14 I HN . 15684 1 150 . 1 1 16 16 ILE HA H 1 4.018 0.017 . . . . . . 14 I HA . 15684 1 151 . 1 1 16 16 ILE HB H 1 1.856 0.009 . . . . . . 14 I HB . 15684 1 152 . 1 1 16 16 ILE HD11 H 1 0.849 0.009 . . . . . . 14 I HD11 . 15684 1 153 . 1 1 16 16 ILE HD12 H 1 0.849 0.009 . . . . . . 14 I HD11 . 15684 1 154 . 1 1 16 16 ILE HD13 H 1 0.849 0.009 . . . . . . 14 I HD11 . 15684 1 155 . 1 1 16 16 ILE HG12 H 1 1.345 0.015 . . . . . . 14 I HG11 . 15684 1 156 . 1 1 16 16 ILE HG13 H 1 1.223 0.009 . . . . . . 14 I HG12 . 15684 1 157 . 1 1 16 16 ILE HG21 H 1 0.858 0.011 . . . . . . 14 I HG21 . 15684 1 158 . 1 1 16 16 ILE HG22 H 1 0.858 0.011 . . . . . . 14 I HG21 . 15684 1 159 . 1 1 16 16 ILE HG23 H 1 0.858 0.011 . . . . . . 14 I HG21 . 15684 1 160 . 1 1 16 16 ILE C C 13 176.227 0.000 . . . . . . 14 I CO . 15684 1 161 . 1 1 16 16 ILE CA C 13 62.090 0.053 . . . . . . 14 I CA . 15684 1 162 . 1 1 16 16 ILE CB C 13 38.285 0.065 . . . . . . 14 I CB . 15684 1 163 . 1 1 16 16 ILE CD1 C 13 13.871 0.050 . . . . . . 14 I CD1 . 15684 1 164 . 1 1 16 16 ILE CG1 C 13 27.682 0.062 . . . . . . 14 I CG1 . 15684 1 165 . 1 1 16 16 ILE CG2 C 13 17.684 0.012 . . . . . . 14 I CG2 . 15684 1 166 . 1 1 16 16 ILE N N 15 113.179 0.047 . . . . . . 14 I N . 15684 1 167 . 1 1 17 17 SER H H 1 7.841 0.005 . . . . . . 15 S HN . 15684 1 168 . 1 1 17 17 SER HA H 1 4.344 0.012 . . . . . . 15 S HA . 15684 1 169 . 1 1 17 17 SER HB2 H 1 3.810 0.012 . . . . . . 15 S HB# . 15684 1 170 . 1 1 17 17 SER HB3 H 1 3.810 0.012 . . . . . . 15 S HB# . 15684 1 171 . 1 1 17 17 SER C C 13 173.435 0.000 . . . . . . 15 S CO . 15684 1 172 . 1 1 17 17 SER CA C 13 58.643 0.077 . . . . . . 15 S CA . 15684 1 173 . 1 1 17 17 SER CB C 13 64.375 0.042 . . . . . . 15 S CB . 15684 1 174 . 1 1 17 17 SER N N 15 117.243 0.042 . . . . . . 15 S N . 15684 1 175 . 1 1 18 18 VAL H H 1 7.420 0.004 . . . . . . 16 V HN . 15684 1 176 . 1 1 18 18 VAL HA H 1 3.894 0.015 . . . . . . 16 V HA . 15684 1 177 . 1 1 18 18 VAL HB H 1 1.654 0.011 . . . . . . 16 V HB . 15684 1 178 . 1 1 18 18 VAL HG11 H 1 -0.102 0.006 . . . . . . 16 V HG11 . 15684 1 179 . 1 1 18 18 VAL HG12 H 1 -0.102 0.006 . . . . . . 16 V HG11 . 15684 1 180 . 1 1 18 18 VAL HG13 H 1 -0.102 0.006 . . . . . . 16 V HG11 . 15684 1 181 . 1 1 18 18 VAL HG21 H 1 0.575 0.007 . . . . . . 16 V HG21 . 15684 1 182 . 1 1 18 18 VAL HG22 H 1 0.575 0.007 . . . . . . 16 V HG21 . 15684 1 183 . 1 1 18 18 VAL HG23 H 1 0.575 0.007 . . . . . . 16 V HG21 . 15684 1 184 . 1 1 18 18 VAL CA C 13 60.054 0.066 . . . . . . 16 V CA . 15684 1 185 . 1 1 18 18 VAL CB C 13 32.224 0.043 . . . . . . 16 V CB . 15684 1 186 . 1 1 18 18 VAL CG1 C 13 20.800 0.009 . . . . . . 16 V CG1 . 15684 1 187 . 1 1 18 18 VAL CG2 C 13 19.887 0.006 . . . . . . 16 V CG2 . 15684 1 188 . 1 1 18 18 VAL N N 15 127.217 0.028 . . . . . . 16 V N . 15684 1 189 . 1 1 19 19 PRO HA H 1 4.216 0.048 . . . . . . 17 P HA . 15684 1 190 . 1 1 19 19 PRO HB2 H 1 2.293 0.009 . . . . . . 17 P HB1 . 15684 1 191 . 1 1 19 19 PRO HB3 H 1 1.809 0.087 . . . . . . 17 P HB2 . 15684 1 192 . 1 1 19 19 PRO HD2 H 1 3.441 0.059 . . . . . . 17 P HD# . 15684 1 193 . 1 1 19 19 PRO HD3 H 1 3.441 0.059 . . . . . . 17 P HD# . 15684 1 194 . 1 1 19 19 PRO HG2 H 1 1.996 0.023 . . . . . . 17 P HG# . 15684 1 195 . 1 1 19 19 PRO HG3 H 1 1.996 0.023 . . . . . . 17 P HG# . 15684 1 196 . 1 1 19 19 PRO C C 13 173.795 0.000 . . . . . . 17 P CO . 15684 1 197 . 1 1 19 19 PRO CA C 13 63.758 0.058 . . . . . . 17 P CA . 15684 1 198 . 1 1 19 19 PRO CB C 13 32.044 0.205 . . . . . . 17 P CB . 15684 1 199 . 1 1 19 19 PRO CG C 13 27.788 0.258 . . . . . . 17 P CG . 15684 1 200 . 1 1 20 20 LEU H H 1 7.818 0.005 . . . . . . 18 L HN . 15684 1 201 . 1 1 20 20 LEU HA H 1 4.614 0.022 . . . . . . 18 L HA . 15684 1 202 . 1 1 20 20 LEU HB2 H 1 1.365 0.013 . . . . . . 18 L HB1 . 15684 1 203 . 1 1 20 20 LEU HB3 H 1 1.023 0.019 . . . . . . 18 L HB2 . 15684 1 204 . 1 1 20 20 LEU HD11 H 1 0.684 0.024 . . . . . . 18 L HD11 . 15684 1 205 . 1 1 20 20 LEU HD12 H 1 0.684 0.024 . . . . . . 18 L HD11 . 15684 1 206 . 1 1 20 20 LEU HD13 H 1 0.684 0.024 . . . . . . 18 L HD11 . 15684 1 207 . 1 1 20 20 LEU HG H 1 1.609 0.011 . . . . . . 18 L HG . 15684 1 208 . 1 1 20 20 LEU C C 13 175.994 0.000 . . . . . . 18 L CO . 15684 1 209 . 1 1 20 20 LEU CA C 13 52.247 0.051 . . . . . . 18 L CA . 15684 1 210 . 1 1 20 20 LEU CB C 13 45.749 0.012 . . . . . . 18 L CB . 15684 1 211 . 1 1 20 20 LEU CD1 C 13 26.287 0.123 . . . . . . 18 L CD1 . 15684 1 212 . 1 1 20 20 LEU N N 15 122.452 0.021 . . . . . . 18 L N . 15684 1 213 . 1 1 21 21 GLN H H 1 8.443 0.006 . . . . . . 19 Q HN . 15684 1 214 . 1 1 21 21 GLN HA H 1 4.293 0.009 . . . . . . 19 Q HA . 15684 1 215 . 1 1 21 21 GLN HB2 H 1 1.896 0.023 . . . . . . 19 Q HB# . 15684 1 216 . 1 1 21 21 GLN HB3 H 1 1.896 0.023 . . . . . . 19 Q HB# . 15684 1 217 . 1 1 21 21 GLN HE21 H 1 7.011 0.000 . . . . . . 19 Q HE# . 15684 1 218 . 1 1 21 21 GLN HE22 H 1 7.011 0.000 . . . . . . 19 Q HE# . 15684 1 219 . 1 1 21 21 GLN HG2 H 1 2.327 0.010 . . . . . . 19 Q HG# . 15684 1 220 . 1 1 21 21 GLN HG3 H 1 2.327 0.010 . . . . . . 19 Q HG# . 15684 1 221 . 1 1 21 21 GLN CA C 13 53.243 0.000 . . . . . . 19 Q CA . 15684 1 222 . 1 1 21 21 GLN N N 15 129.609 0.026 . . . . . . 19 Q N . 15684 1 223 . 1 1 22 22 PRO HA H 1 4.437 0.016 . . . . . . 20 P HA . 15684 1 224 . 1 1 22 22 PRO HB2 H 1 1.989 0.020 . . . . . . 20 P HB1 . 15684 1 225 . 1 1 22 22 PRO HB3 H 1 2.332 0.011 . . . . . . 20 P HB2 . 15684 1 226 . 1 1 22 22 PRO HG2 H 1 1.952 0.000 . . . . . . 20 P HG# . 15684 1 227 . 1 1 22 22 PRO HG3 H 1 1.952 0.000 . . . . . . 20 P HG# . 15684 1 228 . 1 1 22 22 PRO C C 13 178.411 0.000 . . . . . . 20 P CO . 15684 1 229 . 1 1 22 22 PRO CA C 13 62.622 0.042 . . . . . . 20 P CA . 15684 1 230 . 1 1 22 22 PRO CB C 13 32.103 0.105 . . . . . . 20 P CB . 15684 1 231 . 1 1 22 22 PRO CG C 13 28.018 0.000 . . . . . . 20 P CG . 15684 1 232 . 1 1 23 23 GLY H H 1 8.646 0.003 . . . . . . 21 G HN . 15684 1 233 . 1 1 23 23 GLY HA2 H 1 3.881 0.010 . . . . . . 21 G HA1 . 15684 1 234 . 1 1 23 23 GLY HA3 H 1 3.670 0.007 . . . . . . 21 G HA2 . 15684 1 235 . 1 1 23 23 GLY C C 13 177.141 0.000 . . . . . . 21 G CO . 15684 1 236 . 1 1 23 23 GLY CA C 13 47.571 0.133 . . . . . . 21 G CA . 15684 1 237 . 1 1 23 23 GLY N N 15 111.985 0.038 . . . . . . 21 G N . 15684 1 238 . 1 1 24 24 PHE H H 1 7.602 0.010 . . . . . . 22 F HN . 15684 1 239 . 1 1 24 24 PHE HA H 1 4.034 0.002 . . . . . . 22 F HA . 15684 1 240 . 1 1 24 24 PHE HB2 H 1 2.507 0.000 . . . . . . 22 F HB1 . 15684 1 241 . 1 1 24 24 PHE HB3 H 1 2.948 0.000 . . . . . . 22 F HB2 . 15684 1 242 . 1 1 24 24 PHE HD1 H 1 7.023 0.013 . . . . . . 22 F HD# . 15684 1 243 . 1 1 24 24 PHE HD2 H 1 7.023 0.013 . . . . . . 22 F HD# . 15684 1 244 . 1 1 24 24 PHE HE1 H 1 6.568 0.002 . . . . . . 22 F HE# . 15684 1 245 . 1 1 24 24 PHE HE2 H 1 6.568 0.002 . . . . . . 22 F HE# . 15684 1 246 . 1 1 24 24 PHE C C 13 174.789 0.000 . . . . . . 22 F CO . 15684 1 247 . 1 1 24 24 PHE CA C 13 59.903 0.083 . . . . . . 22 F CA . 15684 1 248 . 1 1 24 24 PHE CB C 13 39.960 0.060 . . . . . . 22 F CB . 15684 1 249 . 1 1 24 24 PHE N N 15 116.519 0.021 . . . . . . 22 F N . 15684 1 250 . 1 1 25 25 TRP H H 1 7.821 0.006 . . . . . . 23 W HN . 15684 1 251 . 1 1 25 25 TRP HA H 1 4.865 0.016 . . . . . . 23 W HA . 15684 1 252 . 1 1 25 25 TRP HB2 H 1 2.731 0.007 . . . . . . 23 W HB# . 15684 1 253 . 1 1 25 25 TRP HB3 H 1 2.731 0.007 . . . . . . 23 W HB# . 15684 1 254 . 1 1 25 25 TRP HE1 H 1 10.162 0.002 . . . . . . 23 W HE1 . 15684 1 255 . 1 1 25 25 TRP C C 13 175.284 0.000 . . . . . . 23 W CO . 15684 1 256 . 1 1 25 25 TRP CA C 13 53.912 0.029 . . . . . . 23 W CA . 15684 1 257 . 1 1 25 25 TRP CB C 13 28.989 0.051 . . . . . . 23 W CB . 15684 1 258 . 1 1 25 25 TRP N N 15 128.678 7.632 . . . . . . 23 W N . 15684 1 259 . 1 1 25 25 TRP NE1 N 15 128.477 0.000 . . . . . . 23 W NE1 . 15684 1 260 . 1 1 26 26 THR H H 1 8.514 0.005 . . . . . . 24 T HN . 15684 1 261 . 1 1 26 26 THR HA H 1 4.035 0.015 . . . . . . 24 T HA . 15684 1 262 . 1 1 26 26 THR HB H 1 4.312 0.006 . . . . . . 24 T HB . 15684 1 263 . 1 1 26 26 THR HG21 H 1 1.475 0.010 . . . . . . 24 T HG21 . 15684 1 264 . 1 1 26 26 THR HG22 H 1 1.475 0.010 . . . . . . 24 T HG21 . 15684 1 265 . 1 1 26 26 THR HG23 H 1 1.475 0.010 . . . . . . 24 T HG21 . 15684 1 266 . 1 1 26 26 THR C C 13 178.408 0.000 . . . . . . 24 T CO . 15684 1 267 . 1 1 26 26 THR CA C 13 64.835 0.061 . . . . . . 24 T CA . 15684 1 268 . 1 1 26 26 THR CB C 13 68.820 0.013 . . . . . . 24 T CB . 15684 1 269 . 1 1 26 26 THR CG2 C 13 22.821 0.020 . . . . . . 24 T CG2 . 15684 1 270 . 1 1 26 26 THR N N 15 120.849 0.035 . . . . . . 24 T N . 15684 1 271 . 1 1 27 27 GLU H H 1 9.667 0.020 . . . . . . 25 E HN . 15684 1 272 . 1 1 27 27 GLU HA H 1 4.055 0.015 . . . . . . 25 E HA . 15684 1 273 . 1 1 27 27 GLU HB2 H 1 2.012 0.050 . . . . . . 25 E HB# . 15684 1 274 . 1 1 27 27 GLU HB3 H 1 2.012 0.050 . . . . . . 25 E HB# . 15684 1 275 . 1 1 27 27 GLU HG2 H 1 2.388 0.014 . . . . . . 25 E HG# . 15684 1 276 . 1 1 27 27 GLU HG3 H 1 2.388 0.014 . . . . . . 25 E HG# . 15684 1 277 . 1 1 27 27 GLU C C 13 178.570 0.000 . . . . . . 25 E CO . 15684 1 278 . 1 1 27 27 GLU CA C 13 59.900 0.037 . . . . . . 25 E CA . 15684 1 279 . 1 1 27 27 GLU CB C 13 29.286 0.029 . . . . . . 25 E CB . 15684 1 280 . 1 1 27 27 GLU N N 15 120.632 0.059 . . . . . . 25 E N . 15684 1 281 . 1 1 28 28 ARG H H 1 6.681 0.010 . . . . . . 26 R HN . 15684 1 282 . 1 1 28 28 ARG HA H 1 4.039 0.004 . . . . . . 26 R HA . 15684 1 283 . 1 1 28 28 ARG HB2 H 1 1.261 0.003 . . . . . . 26 R HB# . 15684 1 284 . 1 1 28 28 ARG HB3 H 1 1.261 0.003 . . . . . . 26 R HB# . 15684 1 285 . 1 1 28 28 ARG C C 13 176.259 0.000 . . . . . . 26 R CO . 15684 1 286 . 1 1 28 28 ARG CA C 13 56.394 0.058 . . . . . . 26 R CA . 15684 1 287 . 1 1 28 28 ARG CB C 13 29.925 0.019 . . . . . . 26 R CB . 15684 1 288 . 1 1 28 28 ARG CD C 13 42.212 0.000 . . . . . . 26 R CD . 15684 1 289 . 1 1 28 28 ARG CG C 13 29.526 0.000 . . . . . . 26 R CG . 15684 1 290 . 1 1 28 28 ARG N N 15 115.238 0.051 . . . . . . 26 R N . 15684 1 291 . 1 1 29 29 PHE H H 1 7.525 0.006 . . . . . . 27 F HN . 15684 1 292 . 1 1 29 29 PHE HA H 1 4.462 0.032 . . . . . . 27 F HA . 15684 1 293 . 1 1 29 29 PHE HB2 H 1 3.553 0.019 . . . . . . 27 F HB1 . 15684 1 294 . 1 1 29 29 PHE HB3 H 1 3.068 0.019 . . . . . . 27 F HB2 . 15684 1 295 . 1 1 29 29 PHE HD1 H 1 6.840 0.021 . . . . . . 27 F HD# . 15684 1 296 . 1 1 29 29 PHE HD2 H 1 6.840 0.021 . . . . . . 27 F HD# . 15684 1 297 . 1 1 29 29 PHE HE1 H 1 7.052 0.019 . . . . . . 27 F HE# . 15684 1 298 . 1 1 29 29 PHE HE2 H 1 7.052 0.019 . . . . . . 27 F HE# . 15684 1 299 . 1 1 29 29 PHE C C 13 173.130 0.000 . . . . . . 27 F CO . 15684 1 300 . 1 1 29 29 PHE CA C 13 59.916 0.108 . . . . . . 27 F CA . 15684 1 301 . 1 1 29 29 PHE CB C 13 41.883 0.275 . . . . . . 27 F CB . 15684 1 302 . 1 1 29 29 PHE N N 15 119.768 0.064 . . . . . . 27 F N . 15684 1 303 . 1 1 30 30 GLN H H 1 6.695 0.006 . . . . . . 28 Q HN . 15684 1 304 . 1 1 30 30 GLN HA H 1 4.413 0.009 . . . . . . 28 Q HA . 15684 1 305 . 1 1 30 30 GLN HB2 H 1 2.708 0.001 . . . . . . 28 Q HB1 . 15684 1 306 . 1 1 30 30 GLN HB3 H 1 2.332 0.035 . . . . . . 28 Q HB2 . 15684 1 307 . 1 1 30 30 GLN HG2 H 1 2.268 0.110 . . . . . . 28 Q HG# . 15684 1 308 . 1 1 30 30 GLN HG3 H 1 2.268 0.110 . . . . . . 28 Q HG# . 15684 1 309 . 1 1 30 30 GLN C C 13 174.641 0.000 . . . . . . 28 Q CO . 15684 1 310 . 1 1 30 30 GLN CA C 13 56.086 0.049 . . . . . . 28 Q CA . 15684 1 311 . 1 1 30 30 GLN CB C 13 32.078 0.010 . . . . . . 28 Q CB . 15684 1 312 . 1 1 30 30 GLN N N 15 110.167 0.058 . . . . . . 28 Q N . 15684 1 313 . 1 1 31 31 GLY H H 1 9.532 0.008 . . . . . . 29 G HN . 15684 1 314 . 1 1 31 31 GLY HA2 H 1 4.321 0.040 . . . . . . 29 G HA1 . 15684 1 315 . 1 1 31 31 GLY HA3 H 1 3.572 0.026 . . . . . . 29 G HA2 . 15684 1 316 . 1 1 31 31 GLY C C 13 172.464 0.000 . . . . . . 29 G CO . 15684 1 317 . 1 1 31 31 GLY CA C 13 43.593 0.099 . . . . . . 29 G CA . 15684 1 318 . 1 1 31 31 GLY N N 15 109.275 0.049 . . . . . . 29 G N . 15684 1 319 . 1 1 32 32 ARG H H 1 8.620 0.003 . . . . . . 30 R HN . 15684 1 320 . 1 1 32 32 ARG HA H 1 4.394 0.051 . . . . . . 30 R HA . 15684 1 321 . 1 1 32 32 ARG HB2 H 1 2.136 0.000 . . . . . . 30 R HB# . 15684 1 322 . 1 1 32 32 ARG HB3 H 1 2.136 0.000 . . . . . . 30 R HB# . 15684 1 323 . 1 1 32 32 ARG HD2 H 1 2.950 0.027 . . . . . . 30 R HD# . 15684 1 324 . 1 1 32 32 ARG HD3 H 1 2.950 0.027 . . . . . . 30 R HD# . 15684 1 325 . 1 1 32 32 ARG HG2 H 1 1.414 0.024 . . . . . . 30 R HG# . 15684 1 326 . 1 1 32 32 ARG HG3 H 1 1.414 0.024 . . . . . . 30 R HG# . 15684 1 327 . 1 1 32 32 ARG C C 13 175.294 0.000 . . . . . . 30 R CO . 15684 1 328 . 1 1 32 32 ARG CA C 13 56.668 0.018 . . . . . . 30 R CA . 15684 1 329 . 1 1 32 32 ARG CB C 13 31.141 0.023 . . . . . . 30 R CB . 15684 1 330 . 1 1 32 32 ARG CG C 13 26.638 0.000 . . . . . . 30 R CG . 15684 1 331 . 1 1 32 32 ARG N N 15 121.082 0.042 . . . . . . 30 R N . 15684 1 332 . 1 1 33 33 TRP H H 1 8.942 0.008 . . . . . . 31 W HN . 15684 1 333 . 1 1 33 33 TRP HA H 1 4.647 0.020 . . . . . . 31 W HA . 15684 1 334 . 1 1 33 33 TRP HB2 H 1 2.376 0.016 . . . . . . 31 W HB1 . 15684 1 335 . 1 1 33 33 TRP HB3 H 1 2.173 0.011 . . . . . . 31 W HB2 . 15684 1 336 . 1 1 33 33 TRP HE1 H 1 8.424 0.003 . . . . . . 31 W HE1 . 15684 1 337 . 1 1 33 33 TRP C C 13 174.097 0.000 . . . . . . 31 W CO . 15684 1 338 . 1 1 33 33 TRP CA C 13 55.181 0.040 . . . . . . 31 W CA . 15684 1 339 . 1 1 33 33 TRP CB C 13 32.871 0.034 . . . . . . 31 W CB . 15684 1 340 . 1 1 33 33 TRP N N 15 130.259 0.054 . . . . . . 31 W N . 15684 1 341 . 1 1 33 33 TRP NE1 N 15 128.786 0.029 . . . . . . 31 W NE1 . 15684 1 342 . 1 1 34 34 PHE H H 1 9.920 0.005 . . . . . . 32 F HN . 15684 1 343 . 1 1 34 34 PHE HA H 1 4.770 0.017 . . . . . . 32 F HA . 15684 1 344 . 1 1 34 34 PHE HB2 H 1 2.853 0.017 . . . . . . 32 F HB# . 15684 1 345 . 1 1 34 34 PHE HB3 H 1 2.853 0.017 . . . . . . 32 F HB# . 15684 1 346 . 1 1 34 34 PHE HD1 H 1 6.825 0.004 . . . . . . 32 F HD# . 15684 1 347 . 1 1 34 34 PHE HD2 H 1 6.825 0.004 . . . . . . 32 F HD# . 15684 1 348 . 1 1 34 34 PHE C C 13 176.658 0.000 . . . . . . 32 F CO . 15684 1 349 . 1 1 34 34 PHE CA C 13 58.139 0.081 . . . . . . 32 F CA . 15684 1 350 . 1 1 34 34 PHE CB C 13 40.534 0.027 . . . . . . 32 F CB . 15684 1 351 . 1 1 34 34 PHE N N 15 119.998 0.061 . . . . . . 32 F N . 15684 1 352 . 1 1 35 35 VAL H H 1 8.791 0.005 . . . . . . 33 V HN . 15684 1 353 . 1 1 35 35 VAL HA H 1 4.246 0.041 . . . . . . 33 V HA . 15684 1 354 . 1 1 35 35 VAL HB H 1 1.389 0.012 . . . . . . 33 V HB . 15684 1 355 . 1 1 35 35 VAL HG11 H 1 0.899 0.009 . . . . . . 33 V HG11 . 15684 1 356 . 1 1 35 35 VAL HG12 H 1 0.899 0.009 . . . . . . 33 V HG11 . 15684 1 357 . 1 1 35 35 VAL HG13 H 1 0.899 0.009 . . . . . . 33 V HG11 . 15684 1 358 . 1 1 35 35 VAL HG21 H 1 0.528 0.019 . . . . . . 33 V HG21 . 15684 1 359 . 1 1 35 35 VAL HG22 H 1 0.528 0.019 . . . . . . 33 V HG21 . 15684 1 360 . 1 1 35 35 VAL HG23 H 1 0.528 0.019 . . . . . . 33 V HG21 . 15684 1 361 . 1 1 35 35 VAL C C 13 174.732 0.000 . . . . . . 33 V CO . 15684 1 362 . 1 1 35 35 VAL CA C 13 65.009 0.050 . . . . . . 33 V CA . 15684 1 363 . 1 1 35 35 VAL CG1 C 13 21.368 0.017 . . . . . . 33 V CG1 . 15684 1 364 . 1 1 35 35 VAL CG2 C 13 21.955 0.062 . . . . . . 33 V CG2 . 15684 1 365 . 1 1 35 35 VAL N N 15 122.201 0.061 . . . . . . 33 V N . 15684 1 366 . 1 1 36 36 VAL H H 1 9.080 0.009 . . . . . . 34 V HN . 15684 1 367 . 1 1 36 36 VAL HA H 1 3.882 0.009 . . . . . . 34 V HA . 15684 1 368 . 1 1 36 36 VAL HB H 1 1.808 0.021 . . . . . . 34 V HB . 15684 1 369 . 1 1 36 36 VAL HG11 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 370 . 1 1 36 36 VAL HG12 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 371 . 1 1 36 36 VAL HG13 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 372 . 1 1 36 36 VAL HG21 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 373 . 1 1 36 36 VAL HG22 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 374 . 1 1 36 36 VAL HG23 H 1 1.049 0.020 . . . . . . 34 V HG# . 15684 1 375 . 1 1 36 36 VAL C C 13 176.714 0.000 . . . . . . 34 V CO . 15684 1 376 . 1 1 36 36 VAL CA C 13 64.159 0.038 . . . . . . 34 V CA . 15684 1 377 . 1 1 36 36 VAL CB C 13 34.369 0.000 . . . . . . 34 V CB . 15684 1 378 . 1 1 36 36 VAL N N 15 132.122 0.063 . . . . . . 34 V N . 15684 1 379 . 1 1 37 37 GLY H H 1 8.143 0.005 . . . . . . 35 G HN . 15684 1 380 . 1 1 37 37 GLY HA2 H 1 4.906 0.015 . . . . . . 35 G HA1 . 15684 1 381 . 1 1 37 37 GLY HA3 H 1 3.371 0.016 . . . . . . 35 G HA2 . 15684 1 382 . 1 1 37 37 GLY C C 13 169.368 0.000 . . . . . . 35 G CO . 15684 1 383 . 1 1 37 37 GLY CA C 13 45.617 0.027 . . . . . . 35 G CA . 15684 1 384 . 1 1 37 37 GLY N N 15 106.724 0.046 . . . . . . 35 G N . 15684 1 385 . 1 1 38 38 LEU H H 1 9.333 0.006 . . . . . . 36 L HN . 15684 1 386 . 1 1 38 38 LEU HA H 1 5.234 0.015 . . . . . . 36 L HA . 15684 1 387 . 1 1 38 38 LEU HB2 H 1 1.483 0.032 . . . . . . 36 L HB1 . 15684 1 388 . 1 1 38 38 LEU HB3 H 1 1.314 0.009 . . . . . . 36 L HB2 . 15684 1 389 . 1 1 38 38 LEU HD11 H 1 0.646 0.008 . . . . . . 36 L HD11 . 15684 1 390 . 1 1 38 38 LEU HD12 H 1 0.646 0.008 . . . . . . 36 L HD11 . 15684 1 391 . 1 1 38 38 LEU HD13 H 1 0.646 0.008 . . . . . . 36 L HD11 . 15684 1 392 . 1 1 38 38 LEU HD21 H 1 0.491 0.006 . . . . . . 36 L HD21 . 15684 1 393 . 1 1 38 38 LEU HD22 H 1 0.491 0.006 . . . . . . 36 L HD21 . 15684 1 394 . 1 1 38 38 LEU HD23 H 1 0.491 0.006 . . . . . . 36 L HD21 . 15684 1 395 . 1 1 38 38 LEU HG H 1 1.329 0.013 . . . . . . 36 L HG . 15684 1 396 . 1 1 38 38 LEU C C 13 172.890 0.000 . . . . . . 36 L CO . 15684 1 397 . 1 1 38 38 LEU CA C 13 55.092 0.072 . . . . . . 36 L CA . 15684 1 398 . 1 1 38 38 LEU CB C 13 47.347 0.041 . . . . . . 36 L CB . 15684 1 399 . 1 1 38 38 LEU CD1 C 13 24.979 0.019 . . . . . . 36 L CD1 . 15684 1 400 . 1 1 38 38 LEU CD2 C 13 25.862 0.068 . . . . . . 36 L CD2 . 15684 1 401 . 1 1 38 38 LEU CG C 13 27.419 0.112 . . . . . . 36 L CG . 15684 1 402 . 1 1 38 38 LEU N N 15 122.882 0.064 . . . . . . 36 L N . 15684 1 403 . 1 1 39 39 ALA H H 1 9.077 0.009 . . . . . . 37 A HN . 15684 1 404 . 1 1 39 39 ALA HA H 1 5.890 0.016 . . . . . . 37 A HA . 15684 1 405 . 1 1 39 39 ALA HB1 H 1 1.088 0.013 . . . . . . 37 A HB1 . 15684 1 406 . 1 1 39 39 ALA HB2 H 1 1.088 0.013 . . . . . . 37 A HB1 . 15684 1 407 . 1 1 39 39 ALA HB3 H 1 1.088 0.013 . . . . . . 37 A HB1 . 15684 1 408 . 1 1 39 39 ALA C C 13 176.031 0.000 . . . . . . 37 A CO . 15684 1 409 . 1 1 39 39 ALA CA C 13 49.433 0.067 . . . . . . 37 A CA . 15684 1 410 . 1 1 39 39 ALA CB C 13 24.837 0.093 . . . . . . 37 A CB . 15684 1 411 . 1 1 39 39 ALA N N 15 125.099 0.049 . . . . . . 37 A N . 15684 1 412 . 1 1 40 40 GLY H H 1 8.101 0.008 . . . . . . 38 G HN . 15684 1 413 . 1 1 40 40 GLY HA2 H 1 4.417 0.031 . . . . . . 38 G HA1 . 15684 1 414 . 1 1 40 40 GLY HA3 H 1 3.911 0.022 . . . . . . 38 G HA2 . 15684 1 415 . 1 1 40 40 GLY C C 13 173.076 0.000 . . . . . . 38 G CO . 15684 1 416 . 1 1 40 40 GLY CA C 13 47.253 0.093 . . . . . . 38 G CA . 15684 1 417 . 1 1 40 40 GLY N N 15 106.794 0.042 . . . . . . 38 G N . 15684 1 418 . 1 1 41 41 ASN H H 1 7.717 0.009 . . . . . . 39 N HN . 15684 1 419 . 1 1 41 41 ASN HA H 1 4.044 0.008 . . . . . . 39 N HA . 15684 1 420 . 1 1 41 41 ASN HB2 H 1 3.212 0.006 . . . . . . 39 N HB# . 15684 1 421 . 1 1 41 41 ASN HB3 H 1 3.212 0.006 . . . . . . 39 N HB# . 15684 1 422 . 1 1 41 41 ASN HD21 H 1 8.295 0.000 . . . . . . 39 N HD# . 15684 1 423 . 1 1 41 41 ASN HD22 H 1 8.295 0.000 . . . . . . 39 N HD# . 15684 1 424 . 1 1 41 41 ASN C C 13 175.616 0.000 . . . . . . 39 N CO . 15684 1 425 . 1 1 41 41 ASN CA C 13 54.489 0.044 . . . . . . 39 N CA . 15684 1 426 . 1 1 41 41 ASN CB C 13 37.465 0.122 . . . . . . 39 N CB . 15684 1 427 . 1 1 41 41 ASN N N 15 116.912 0.027 . . . . . . 39 N N . 15684 1 428 . 1 1 42 42 ALA H H 1 9.240 0.007 . . . . . . 40 A HN . 15684 1 429 . 1 1 42 42 ALA HA H 1 4.589 0.005 . . . . . . 40 A HA . 15684 1 430 . 1 1 42 42 ALA HB1 H 1 1.399 0.010 . . . . . . 40 A HB1 . 15684 1 431 . 1 1 42 42 ALA HB2 H 1 1.399 0.010 . . . . . . 40 A HB1 . 15684 1 432 . 1 1 42 42 ALA HB3 H 1 1.399 0.010 . . . . . . 40 A HB1 . 15684 1 433 . 1 1 42 42 ALA C C 13 176.676 0.000 . . . . . . 40 A CO . 15684 1 434 . 1 1 42 42 ALA CA C 13 50.994 0.059 . . . . . . 40 A CA . 15684 1 435 . 1 1 42 42 ALA CB C 13 18.740 0.179 . . . . . . 40 A CB . 15684 1 436 . 1 1 42 42 ALA N N 15 123.727 0.053 . . . . . . 40 A N . 15684 1 437 . 1 1 43 43 VAL H H 1 7.008 0.009 . . . . . . 41 V HN . 15684 1 438 . 1 1 43 43 VAL HA H 1 3.886 0.022 . . . . . . 41 V HA . 15684 1 439 . 1 1 43 43 VAL HB H 1 2.236 0.015 . . . . . . 41 V HB . 15684 1 440 . 1 1 43 43 VAL HG11 H 1 0.628 0.008 . . . . . . 41 V HG11 . 15684 1 441 . 1 1 43 43 VAL HG12 H 1 0.628 0.008 . . . . . . 41 V HG11 . 15684 1 442 . 1 1 43 43 VAL HG13 H 1 0.628 0.008 . . . . . . 41 V HG11 . 15684 1 443 . 1 1 43 43 VAL HG21 H 1 0.642 0.012 . . . . . . 41 V HG21 . 15684 1 444 . 1 1 43 43 VAL HG22 H 1 0.642 0.012 . . . . . . 41 V HG21 . 15684 1 445 . 1 1 43 43 VAL HG23 H 1 0.642 0.012 . . . . . . 41 V HG21 . 15684 1 446 . 1 1 43 43 VAL C C 13 174.990 0.000 . . . . . . 41 V CO . 15684 1 447 . 1 1 43 43 VAL CA C 13 62.450 0.044 . . . . . . 41 V CA . 15684 1 448 . 1 1 43 43 VAL CB C 13 32.482 0.149 . . . . . . 41 V CB . 15684 1 449 . 1 1 43 43 VAL CG1 C 13 21.807 0.106 . . . . . . 41 V CG1 . 15684 1 450 . 1 1 43 43 VAL CG2 C 13 20.992 0.025 . . . . . . 41 V CG2 . 15684 1 451 . 1 1 43 43 VAL N N 15 122.711 0.054 . . . . . . 41 V N . 15684 1 452 . 1 1 44 44 GLN H H 1 8.135 0.007 . . . . . . 42 Q HN . 15684 1 453 . 1 1 44 44 GLN HA H 1 4.937 0.011 . . . . . . 42 Q HA . 15684 1 454 . 1 1 44 44 GLN HB2 H 1 2.101 0.013 . . . . . . 42 Q HB# . 15684 1 455 . 1 1 44 44 GLN HB3 H 1 2.101 0.013 . . . . . . 42 Q HB# . 15684 1 456 . 1 1 44 44 GLN HG2 H 1 2.245 0.008 . . . . . . 42 Q HG# . 15684 1 457 . 1 1 44 44 GLN HG3 H 1 2.245 0.008 . . . . . . 42 Q HG# . 15684 1 458 . 1 1 44 44 GLN C C 13 176.297 0.000 . . . . . . 42 Q CO . 15684 1 459 . 1 1 44 44 GLN CA C 13 53.697 0.066 . . . . . . 42 Q CA . 15684 1 460 . 1 1 44 44 GLN CB C 13 30.875 0.069 . . . . . . 42 Q CB . 15684 1 461 . 1 1 44 44 GLN CG C 13 33.378 0.104 . . . . . . 42 Q CG . 15684 1 462 . 1 1 44 44 GLN N N 15 124.901 0.051 . . . . . . 42 Q N . 15684 1 463 . 1 1 45 45 LYS H H 1 9.180 0.005 . . . . . . 43 K HN . 15684 1 464 . 1 1 45 45 LYS HA H 1 3.846 0.007 . . . . . . 43 K HA . 15684 1 465 . 1 1 45 45 LYS HB2 H 1 1.841 0.020 . . . . . . 43 K HB# . 15684 1 466 . 1 1 45 45 LYS HB3 H 1 1.841 0.020 . . . . . . 43 K HB# . 15684 1 467 . 1 1 45 45 LYS HD2 H 1 1.869 0.018 . . . . . . 43 K HD2 . 15684 1 468 . 1 1 45 45 LYS HE2 H 1 3.177 0.008 . . . . . . 43 K HE1 . 15684 1 469 . 1 1 45 45 LYS HE3 H 1 3.166 0.019 . . . . . . 43 K HE2 . 15684 1 470 . 1 1 45 45 LYS HG2 H 1 1.505 0.011 . . . . . . 43 K HG# . 15684 1 471 . 1 1 45 45 LYS HG3 H 1 1.505 0.011 . . . . . . 43 K HG# . 15684 1 472 . 1 1 45 45 LYS C C 13 177.276 0.000 . . . . . . 43 K CO . 15684 1 473 . 1 1 45 45 LYS CA C 13 59.274 0.047 . . . . . . 43 K CA . 15684 1 474 . 1 1 45 45 LYS CB C 13 33.054 0.074 . . . . . . 43 K CB . 15684 1 475 . 1 1 45 45 LYS CD C 13 29.831 0.000 . . . . . . 43 K CD . 15684 1 476 . 1 1 45 45 LYS CE C 13 42.040 0.101 . . . . . . 43 K CE . 15684 1 477 . 1 1 45 45 LYS CG C 13 25.246 0.001 . . . . . . 43 K CG . 15684 1 478 . 1 1 45 45 LYS N N 15 127.806 0.029 . . . . . . 43 K N . 15684 1 479 . 1 1 46 46 GLU H H 1 9.384 0.005 . . . . . . 44 E HN . 15684 1 480 . 1 1 46 46 GLU HA H 1 4.207 0.004 . . . . . . 44 E HA . 15684 1 481 . 1 1 46 46 GLU HB2 H 1 2.067 0.030 . . . . . . 44 E HB# . 15684 1 482 . 1 1 46 46 GLU HB3 H 1 2.067 0.030 . . . . . . 44 E HB# . 15684 1 483 . 1 1 46 46 GLU HG2 H 1 2.327 0.015 . . . . . . 44 E HG# . 15684 1 484 . 1 1 46 46 GLU HG3 H 1 2.327 0.015 . . . . . . 44 E HG# . 15684 1 485 . 1 1 46 46 GLU C C 13 175.313 0.000 . . . . . . 44 E CO . 15684 1 486 . 1 1 46 46 GLU CA C 13 58.393 0.030 . . . . . . 44 E CA . 15684 1 487 . 1 1 46 46 GLU CB C 13 29.420 0.109 . . . . . . 44 E CB . 15684 1 488 . 1 1 46 46 GLU CG C 13 36.459 0.147 . . . . . . 44 E CG . 15684 1 489 . 1 1 46 46 GLU N N 15 117.959 0.036 . . . . . . 44 E N . 15684 1 490 . 1 1 47 47 ARG H H 1 7.612 0.007 . . . . . . 45 R HN . 15684 1 491 . 1 1 47 47 ARG HA H 1 4.475 0.014 . . . . . . 45 R HA . 15684 1 492 . 1 1 47 47 ARG HB2 H 1 1.890 0.013 . . . . . . 45 R HB1 . 15684 1 493 . 1 1 47 47 ARG HB3 H 1 1.981 0.030 . . . . . . 45 R HB2 . 15684 1 494 . 1 1 47 47 ARG HD2 H 1 3.227 0.005 . . . . . . 45 R HD# . 15684 1 495 . 1 1 47 47 ARG HD3 H 1 3.227 0.005 . . . . . . 45 R HD# . 15684 1 496 . 1 1 47 47 ARG HG2 H 1 1.632 0.010 . . . . . . 45 R HG1 . 15684 1 497 . 1 1 47 47 ARG HG3 H 1 1.667 0.009 . . . . . . 45 R HG2 . 15684 1 498 . 1 1 47 47 ARG C C 13 176.925 0.000 . . . . . . 45 R CO . 15684 1 499 . 1 1 47 47 ARG CA C 13 56.655 0.055 . . . . . . 45 R CA . 15684 1 500 . 1 1 47 47 ARG CB C 13 31.793 0.113 . . . . . . 45 R CB . 15684 1 501 . 1 1 47 47 ARG CD C 13 43.112 0.104 . . . . . . 45 R CD . 15684 1 502 . 1 1 47 47 ARG CG C 13 27.482 0.090 . . . . . . 45 R CG . 15684 1 503 . 1 1 47 47 ARG N N 15 116.574 0.046 . . . . . . 45 R N . 15684 1 504 . 1 1 48 48 GLN H H 1 7.894 0.009 . . . . . . 46 Q HN . 15684 1 505 . 1 1 48 48 GLN HA H 1 4.588 0.007 . . . . . . 46 Q HA . 15684 1 506 . 1 1 48 48 GLN HB2 H 1 1.872 0.015 . . . . . . 46 Q HB# . 15684 1 507 . 1 1 48 48 GLN HB3 H 1 1.872 0.015 . . . . . . 46 Q HB# . 15684 1 508 . 1 1 48 48 GLN HG2 H 1 2.338 0.037 . . . . . . 46 Q HG1 . 15684 1 509 . 1 1 48 48 GLN HG3 H 1 2.247 0.013 . . . . . . 46 Q HG2 . 15684 1 510 . 1 1 48 48 GLN C C 13 174.758 0.000 . . . . . . 46 Q CO . 15684 1 511 . 1 1 48 48 GLN CA C 13 55.884 0.035 . . . . . . 46 Q CA . 15684 1 512 . 1 1 48 48 GLN CB C 13 30.509 0.127 . . . . . . 46 Q CB . 15684 1 513 . 1 1 48 48 GLN CG C 13 34.737 0.045 . . . . . . 46 Q CG . 15684 1 514 . 1 1 48 48 GLN N N 15 117.514 0.020 . . . . . . 46 Q N . 15684 1 515 . 1 1 49 49 SER H H 1 8.135 0.003 . . . . . . 47 S HN . 15684 1 516 . 1 1 49 49 SER HA H 1 4.475 0.015 . . . . . . 47 S HA . 15684 1 517 . 1 1 49 49 SER HB2 H 1 4.071 0.020 . . . . . . 47 S HB1 . 15684 1 518 . 1 1 49 49 SER HB3 H 1 4.033 0.026 . . . . . . 47 S HB2 . 15684 1 519 . 1 1 49 49 SER C C 13 174.735 0.000 . . . . . . 47 S CO . 15684 1 520 . 1 1 49 49 SER CA C 13 59.574 0.079 . . . . . . 47 S CA . 15684 1 521 . 1 1 49 49 SER CB C 13 63.603 0.031 . . . . . . 47 S CB . 15684 1 522 . 1 1 49 49 SER N N 15 116.209 0.059 . . . . . . 47 S N . 15684 1 523 . 1 1 50 50 ARG H H 1 8.443 0.006 . . . . . . 48 R HN . 15684 1 524 . 1 1 50 50 ARG HA H 1 4.415 0.026 . . . . . . 48 R HA . 15684 1 525 . 1 1 50 50 ARG HB2 H 1 1.923 0.047 . . . . . . 48 R HB# . 15684 1 526 . 1 1 50 50 ARG HB3 H 1 1.923 0.047 . . . . . . 48 R HB# . 15684 1 527 . 1 1 50 50 ARG HD2 H 1 3.227 0.020 . . . . . . 48 R HD# . 15684 1 528 . 1 1 50 50 ARG HD3 H 1 3.227 0.020 . . . . . . 48 R HD# . 15684 1 529 . 1 1 50 50 ARG HG2 H 1 1.687 0.019 . . . . . . 48 R HG1 . 15684 1 530 . 1 1 50 50 ARG HG3 H 1 1.632 0.014 . . . . . . 48 R HG2 . 15684 1 531 . 1 1 50 50 ARG C C 13 174.874 0.000 . . . . . . 48 R CO . 15684 1 532 . 1 1 50 50 ARG CA C 13 56.435 0.073 . . . . . . 48 R CA . 15684 1 533 . 1 1 50 50 ARG CB C 13 30.011 0.009 . . . . . . 48 R CB . 15684 1 534 . 1 1 50 50 ARG CD C 13 43.504 0.134 . . . . . . 48 R CD . 15684 1 535 . 1 1 50 50 ARG CG C 13 27.415 0.042 . . . . . . 48 R CG . 15684 1 536 . 1 1 50 50 ARG N N 15 120.660 0.014 . . . . . . 48 R N . 15684 1 537 . 1 1 51 51 PHE H H 1 7.890 0.009 . . . . . . 49 F HN . 15684 1 538 . 1 1 51 51 PHE HA H 1 4.813 0.012 . . . . . . 49 F HA . 15684 1 539 . 1 1 51 51 PHE HB2 H 1 3.220 0.021 . . . . . . 49 F HB1 . 15684 1 540 . 1 1 51 51 PHE HB3 H 1 3.181 0.007 . . . . . . 49 F HB2 . 15684 1 541 . 1 1 51 51 PHE HD1 H 1 7.265 0.016 . . . . . . 49 F HD# . 15684 1 542 . 1 1 51 51 PHE HD2 H 1 7.265 0.016 . . . . . . 49 F HD# . 15684 1 543 . 1 1 51 51 PHE C C 13 174.083 0.000 . . . . . . 49 F CO . 15684 1 544 . 1 1 51 51 PHE CA C 13 55.905 0.066 . . . . . . 49 F CA . 15684 1 545 . 1 1 51 51 PHE CB C 13 39.220 0.087 . . . . . . 49 F CB . 15684 1 546 . 1 1 51 51 PHE N N 15 119.920 0.023 . . . . . . 49 F N . 15684 1 547 . 1 1 52 52 THR H H 1 8.830 0.004 . . . . . . 50 T HN . 15684 1 548 . 1 1 52 52 THR HA H 1 4.078 0.025 . . . . . . 50 T HA . 15684 1 549 . 1 1 52 52 THR HB H 1 4.299 0.037 . . . . . . 50 T HB . 15684 1 550 . 1 1 52 52 THR HG21 H 1 1.526 0.025 . . . . . . 50 T HG21 . 15684 1 551 . 1 1 52 52 THR HG22 H 1 1.526 0.025 . . . . . . 50 T HG21 . 15684 1 552 . 1 1 52 52 THR HG23 H 1 1.526 0.025 . . . . . . 50 T HG21 . 15684 1 553 . 1 1 52 52 THR C C 13 173.509 0.000 . . . . . . 50 T CO . 15684 1 554 . 1 1 52 52 THR CA C 13 64.371 0.030 . . . . . . 50 T CA . 15684 1 555 . 1 1 52 52 THR CB C 13 68.810 0.068 . . . . . . 50 T CB . 15684 1 556 . 1 1 52 52 THR CG2 C 13 22.677 0.061 . . . . . . 50 T CG2 . 15684 1 557 . 1 1 52 52 THR N N 15 122.317 0.041 . . . . . . 50 T N . 15684 1 558 . 1 1 53 53 MET H H 1 8.501 0.007 . . . . . . 51 M HN . 15684 1 559 . 1 1 53 53 MET HA H 1 3.601 0.009 . . . . . . 51 M HA . 15684 1 560 . 1 1 53 53 MET HB2 H 1 1.833 0.015 . . . . . . 51 M HB# . 15684 1 561 . 1 1 53 53 MET HB3 H 1 1.833 0.015 . . . . . . 51 M HB# . 15684 1 562 . 1 1 53 53 MET HE1 H 1 2.123 0.010 . . . . . . 51 M HE1 . 15684 1 563 . 1 1 53 53 MET HE2 H 1 2.123 0.010 . . . . . . 51 M HE1 . 15684 1 564 . 1 1 53 53 MET HE3 H 1 2.123 0.010 . . . . . . 51 M HE1 . 15684 1 565 . 1 1 53 53 MET HG2 H 1 2.351 0.000 . . . . . . 51 M HG# . 15684 1 566 . 1 1 53 53 MET HG3 H 1 2.351 0.000 . . . . . . 51 M HG# . 15684 1 567 . 1 1 53 53 MET C C 13 173.074 0.000 . . . . . . 51 M CO . 15684 1 568 . 1 1 53 53 MET CA C 13 58.855 0.029 . . . . . . 51 M CA . 15684 1 569 . 1 1 53 53 MET CB C 13 33.222 0.000 . . . . . . 51 M CB . 15684 1 570 . 1 1 53 53 MET N N 15 127.110 0.064 . . . . . . 51 M N . 15684 1 571 . 1 1 54 54 TYR H H 1 6.581 0.009 . . . . . . 52 Y HN . 15684 1 572 . 1 1 54 54 TYR HA H 1 5.509 0.017 . . . . . . 52 Y HA . 15684 1 573 . 1 1 54 54 TYR HB2 H 1 3.374 0.013 . . . . . . 52 Y HB1 . 15684 1 574 . 1 1 54 54 TYR HB3 H 1 3.994 0.020 . . . . . . 52 Y HB2 . 15684 1 575 . 1 1 54 54 TYR HD1 H 1 7.184 0.012 . . . . . . 52 Y HD# . 15684 1 576 . 1 1 54 54 TYR HD2 H 1 7.184 0.012 . . . . . . 52 Y HD# . 15684 1 577 . 1 1 54 54 TYR C C 13 173.133 0.000 . . . . . . 52 Y CO . 15684 1 578 . 1 1 54 54 TYR CA C 13 54.355 0.022 . . . . . . 52 Y CA . 15684 1 579 . 1 1 54 54 TYR CB C 13 41.144 0.112 . . . . . . 52 Y CB . 15684 1 580 . 1 1 54 54 TYR N N 15 118.097 0.029 . . . . . . 52 Y N . 15684 1 581 . 1 1 55 55 SER H H 1 8.649 0.012 . . . . . . 53 S HN . 15684 1 582 . 1 1 55 55 SER HA H 1 5.466 0.014 . . . . . . 53 S HA . 15684 1 583 . 1 1 55 55 SER HB2 H 1 3.586 0.011 . . . . . . 53 S HB1 . 15684 1 584 . 1 1 55 55 SER HB3 H 1 3.924 0.002 . . . . . . 53 S HB2 . 15684 1 585 . 1 1 55 55 SER C C 13 173.229 0.000 . . . . . . 53 S CO . 15684 1 586 . 1 1 55 55 SER CA C 13 55.410 0.038 . . . . . . 53 S CA . 15684 1 587 . 1 1 55 55 SER CB C 13 67.620 0.012 . . . . . . 53 S CB . 15684 1 588 . 1 1 55 55 SER N N 15 114.743 0.047 . . . . . . 53 S N . 15684 1 589 . 1 1 56 56 THR H H 1 9.144 0.016 . . . . . . 54 T HN . 15684 1 590 . 1 1 56 56 THR HA H 1 5.272 0.010 . . . . . . 54 T HA . 15684 1 591 . 1 1 56 56 THR HB H 1 3.578 0.019 . . . . . . 54 T HB . 15684 1 592 . 1 1 56 56 THR HG21 H 1 0.923 0.013 . . . . . . 54 T HG21 . 15684 1 593 . 1 1 56 56 THR HG22 H 1 0.923 0.013 . . . . . . 54 T HG21 . 15684 1 594 . 1 1 56 56 THR HG23 H 1 0.923 0.013 . . . . . . 54 T HG21 . 15684 1 595 . 1 1 56 56 THR C C 13 172.357 0.000 . . . . . . 54 T CO . 15684 1 596 . 1 1 56 56 THR CA C 13 61.255 0.033 . . . . . . 54 T CA . 15684 1 597 . 1 1 56 56 THR CB C 13 72.581 0.003 . . . . . . 54 T CB . 15684 1 598 . 1 1 56 56 THR CG2 C 13 24.560 0.083 . . . . . . 54 T CG2 . 15684 1 599 . 1 1 56 56 THR N N 15 115.527 0.029 . . . . . . 54 T N . 15684 1 600 . 1 1 57 57 ILE H H 1 9.423 0.007 . . . . . . 55 I HN . 15684 1 601 . 1 1 57 57 ILE HA H 1 4.593 0.017 . . . . . . 55 I HA . 15684 1 602 . 1 1 57 57 ILE HB H 1 1.770 0.010 . . . . . . 55 I HB . 15684 1 603 . 1 1 57 57 ILE HD11 H 1 0.771 0.006 . . . . . . 55 I HD11 . 15684 1 604 . 1 1 57 57 ILE HD12 H 1 0.771 0.006 . . . . . . 55 I HD11 . 15684 1 605 . 1 1 57 57 ILE HD13 H 1 0.771 0.006 . . . . . . 55 I HD11 . 15684 1 606 . 1 1 57 57 ILE HG12 H 1 1.396 0.006 . . . . . . 55 I HG12 . 15684 1 607 . 1 1 57 57 ILE HG21 H 1 0.717 0.020 . . . . . . 55 I HG21 . 15684 1 608 . 1 1 57 57 ILE HG22 H 1 0.717 0.020 . . . . . . 55 I HG21 . 15684 1 609 . 1 1 57 57 ILE HG23 H 1 0.717 0.020 . . . . . . 55 I HG21 . 15684 1 610 . 1 1 57 57 ILE C C 13 175.240 0.000 . . . . . . 55 I CO . 15684 1 611 . 1 1 57 57 ILE CA C 13 59.932 0.191 . . . . . . 55 I CA . 15684 1 612 . 1 1 57 57 ILE CB C 13 40.046 0.000 . . . . . . 55 I CB . 15684 1 613 . 1 1 57 57 ILE CD1 C 13 13.803 0.016 . . . . . . 55 I CD1 . 15684 1 614 . 1 1 57 57 ILE CG2 C 13 20.939 8.482 . . . . . . 55 I CG2 . 15684 1 615 . 1 1 57 57 ILE N N 15 126.762 0.048 . . . . . . 55 I N . 15684 1 616 . 1 1 58 58 TYR H H 1 8.945 0.009 . . . . . . 56 Y HN . 15684 1 617 . 1 1 58 58 TYR HA H 1 4.434 0.029 . . . . . . 56 Y HA . 15684 1 618 . 1 1 58 58 TYR HB2 H 1 3.017 0.025 . . . . . . 56 Y HB1 . 15684 1 619 . 1 1 58 58 TYR HB3 H 1 2.324 0.028 . . . . . . 56 Y HB2 . 15684 1 620 . 1 1 58 58 TYR HD1 H 1 6.353 0.019 . . . . . . 56 Y HD# . 15684 1 621 . 1 1 58 58 TYR HD2 H 1 6.353 0.019 . . . . . . 56 Y HD# . 15684 1 622 . 1 1 58 58 TYR C C 13 175.936 0.000 . . . . . . 56 Y CO . 15684 1 623 . 1 1 58 58 TYR CA C 13 57.480 0.063 . . . . . . 56 Y CA . 15684 1 624 . 1 1 58 58 TYR CB C 13 39.407 0.139 . . . . . . 56 Y CB . 15684 1 625 . 1 1 58 58 TYR N N 15 128.405 0.056 . . . . . . 56 Y N . 15684 1 626 . 1 1 59 59 GLU H H 1 8.974 0.006 . . . . . . 57 E HN . 15684 1 627 . 1 1 59 59 GLU HA H 1 5.070 0.012 . . . . . . 57 E HA . 15684 1 628 . 1 1 59 59 GLU HB2 H 1 2.098 0.018 . . . . . . 57 E HB1 . 15684 1 629 . 1 1 59 59 GLU HB3 H 1 2.252 0.030 . . . . . . 57 E HB2 . 15684 1 630 . 1 1 59 59 GLU C C 13 176.039 0.000 . . . . . . 57 E CO . 15684 1 631 . 1 1 59 59 GLU CA C 13 55.412 0.026 . . . . . . 57 E CA . 15684 1 632 . 1 1 59 59 GLU CB C 13 32.113 0.035 . . . . . . 57 E CB . 15684 1 633 . 1 1 59 59 GLU N N 15 124.818 0.176 . . . . . . 57 E N . 15684 1 634 . 1 1 60 60 LEU H H 1 9.242 0.004 . . . . . . 58 L HN . 15684 1 635 . 1 1 60 60 LEU HA H 1 4.406 0.005 . . . . . . 58 L HA . 15684 1 636 . 1 1 60 60 LEU HB2 H 1 1.925 0.015 . . . . . . 58 L HB1 . 15684 1 637 . 1 1 60 60 LEU HB3 H 1 2.254 0.011 . . . . . . 58 L HB2 . 15684 1 638 . 1 1 60 60 LEU HD11 H 1 0.657 0.007 . . . . . . 58 L HD11 . 15684 1 639 . 1 1 60 60 LEU HD12 H 1 0.657 0.007 . . . . . . 58 L HD11 . 15684 1 640 . 1 1 60 60 LEU HD13 H 1 0.657 0.007 . . . . . . 58 L HD11 . 15684 1 641 . 1 1 60 60 LEU HD21 H 1 0.867 0.006 . . . . . . 58 L HD21 . 15684 1 642 . 1 1 60 60 LEU HD22 H 1 0.867 0.006 . . . . . . 58 L HD21 . 15684 1 643 . 1 1 60 60 LEU HD23 H 1 0.867 0.006 . . . . . . 58 L HD21 . 15684 1 644 . 1 1 60 60 LEU HG H 1 1.269 0.011 . . . . . . 58 L HG . 15684 1 645 . 1 1 60 60 LEU C C 13 175.975 0.000 . . . . . . 58 L CO . 15684 1 646 . 1 1 60 60 LEU CA C 13 56.091 0.076 . . . . . . 58 L CA . 15684 1 647 . 1 1 60 60 LEU CB C 13 43.880 0.186 . . . . . . 58 L CB . 15684 1 648 . 1 1 60 60 LEU CD1 C 13 23.254 0.020 . . . . . . 58 L CD1 . 15684 1 649 . 1 1 60 60 LEU CD2 C 13 26.845 0.053 . . . . . . 58 L CD2 . 15684 1 650 . 1 1 60 60 LEU N N 15 133.154 0.044 . . . . . . 58 L N . 15684 1 651 . 1 1 61 61 GLN H H 1 8.984 0.017 . . . . . . 59 Q HN . 15684 1 652 . 1 1 61 61 GLN HA H 1 4.628 0.010 . . . . . . 59 Q HA . 15684 1 653 . 1 1 61 61 GLN HB2 H 1 2.058 0.012 . . . . . . 59 Q HB2 . 15684 1 654 . 1 1 61 61 GLN HG2 H 1 2.224 0.004 . . . . . . 59 Q HG# . 15684 1 655 . 1 1 61 61 GLN HG3 H 1 2.224 0.004 . . . . . . 59 Q HG# . 15684 1 656 . 1 1 61 61 GLN C C 13 177.825 0.000 . . . . . . 59 Q CO . 15684 1 657 . 1 1 61 61 GLN CA C 13 53.665 0.052 . . . . . . 59 Q CA . 15684 1 658 . 1 1 61 61 GLN CB C 13 30.902 0.030 . . . . . . 59 Q CB . 15684 1 659 . 1 1 61 61 GLN N N 15 125.210 0.054 . . . . . . 59 Q N . 15684 1 660 . 1 1 62 62 GLU H H 1 8.907 0.005 . . . . . . 60 E HN . 15684 1 661 . 1 1 62 62 GLU HA H 1 4.044 0.008 . . . . . . 60 E HA . 15684 1 662 . 1 1 62 62 GLU HB2 H 1 2.070 0.012 . . . . . . 60 E HB# . 15684 1 663 . 1 1 62 62 GLU HB3 H 1 2.070 0.012 . . . . . . 60 E HB# . 15684 1 664 . 1 1 62 62 GLU HG2 H 1 2.345 0.009 . . . . . . 60 E HG# . 15684 1 665 . 1 1 62 62 GLU HG3 H 1 2.345 0.009 . . . . . . 60 E HG# . 15684 1 666 . 1 1 62 62 GLU C C 13 176.060 0.000 . . . . . . 60 E CO . 15684 1 667 . 1 1 62 62 GLU CA C 13 53.861 11.884 . . . . . . 60 E CA . 15684 1 668 . 1 1 62 62 GLU CB C 13 29.472 0.145 . . . . . . 60 E CB . 15684 1 669 . 1 1 62 62 GLU CG C 13 36.306 0.050 . . . . . . 60 E CG . 15684 1 670 . 1 1 62 62 GLU N N 15 121.303 0.044 . . . . . . 60 E N . 15684 1 671 . 1 1 63 63 ASP H H 1 7.817 0.007 . . . . . . 61 D HN . 15684 1 672 . 1 1 63 63 ASP HA H 1 4.539 0.008 . . . . . . 61 D HA . 15684 1 673 . 1 1 63 63 ASP HB2 H 1 2.546 0.008 . . . . . . 61 D HB1 . 15684 1 674 . 1 1 63 63 ASP HB3 H 1 3.109 0.015 . . . . . . 61 D HB2 . 15684 1 675 . 1 1 63 63 ASP C C 13 176.763 0.000 . . . . . . 61 D CO . 15684 1 676 . 1 1 63 63 ASP CA C 13 53.092 0.058 . . . . . . 61 D CA . 15684 1 677 . 1 1 63 63 ASP CB C 13 39.668 0.087 . . . . . . 61 D CB . 15684 1 678 . 1 1 63 63 ASP N N 15 116.500 0.045 . . . . . . 61 D N . 15684 1 679 . 1 1 64 64 ASN H H 1 8.152 0.004 . . . . . . 62 N HN . 15684 1 680 . 1 1 64 64 ASN HA H 1 4.330 0.013 . . . . . . 62 N HA . 15684 1 681 . 1 1 64 64 ASN HB2 H 1 3.316 0.009 . . . . . . 62 N HB1 . 15684 1 682 . 1 1 64 64 ASN HB3 H 1 3.156 0.011 . . . . . . 62 N HB2 . 15684 1 683 . 1 1 64 64 ASN C C 13 173.394 0.000 . . . . . . 62 N CO . 15684 1 684 . 1 1 64 64 ASN CA C 13 55.525 0.073 . . . . . . 62 N CA . 15684 1 685 . 1 1 64 64 ASN CB C 13 37.008 0.085 . . . . . . 62 N CB . 15684 1 686 . 1 1 64 64 ASN N N 15 111.860 0.050 . . . . . . 62 N N . 15684 1 687 . 1 1 65 65 SER H H 1 7.887 0.007 . . . . . . 63 S HN . 15684 1 688 . 1 1 65 65 SER HA H 1 4.863 0.022 . . . . . . 63 S HA . 15684 1 689 . 1 1 65 65 SER HB2 H 1 4.086 0.025 . . . . . . 63 S HB# . 15684 1 690 . 1 1 65 65 SER HB3 H 1 4.086 0.025 . . . . . . 63 S HB# . 15684 1 691 . 1 1 65 65 SER C C 13 173.046 0.000 . . . . . . 63 S CO . 15684 1 692 . 1 1 65 65 SER CA C 13 58.324 0.050 . . . . . . 63 S CA . 15684 1 693 . 1 1 65 65 SER CB C 13 65.161 0.044 . . . . . . 63 S CB . 15684 1 694 . 1 1 65 65 SER N N 15 111.620 0.039 . . . . . . 63 S N . 15684 1 695 . 1 1 66 66 TYR H H 1 9.046 0.010 . . . . . . 64 Y HN . 15684 1 696 . 1 1 66 66 TYR HA H 1 5.586 0.020 . . . . . . 64 Y HA . 15684 1 697 . 1 1 66 66 TYR HB2 H 1 2.392 0.016 . . . . . . 64 Y HB1 . 15684 1 698 . 1 1 66 66 TYR HB3 H 1 2.978 0.009 . . . . . . 64 Y HB2 . 15684 1 699 . 1 1 66 66 TYR HD1 H 1 6.747 0.023 . . . . . . 64 Y HD# . 15684 1 700 . 1 1 66 66 TYR HD2 H 1 6.747 0.023 . . . . . . 64 Y HD# . 15684 1 701 . 1 1 66 66 TYR HE1 H 1 6.871 0.033 . . . . . . 64 Y HE# . 15684 1 702 . 1 1 66 66 TYR HE2 H 1 6.871 0.033 . . . . . . 64 Y HE# . 15684 1 703 . 1 1 66 66 TYR C C 13 176.467 0.000 . . . . . . 64 Y CO . 15684 1 704 . 1 1 66 66 TYR CA C 13 56.689 0.027 . . . . . . 64 Y CA . 15684 1 705 . 1 1 66 66 TYR CB C 13 42.564 0.103 . . . . . . 64 Y CB . 15684 1 706 . 1 1 66 66 TYR N N 15 114.005 0.046 . . . . . . 64 Y N . 15684 1 707 . 1 1 67 67 ASN H H 1 9.112 0.011 . . . . . . 65 N HN . 15684 1 708 . 1 1 67 67 ASN HA H 1 5.015 0.015 . . . . . . 65 N HA . 15684 1 709 . 1 1 67 67 ASN HB2 H 1 2.680 0.020 . . . . . . 65 N HB# . 15684 1 710 . 1 1 67 67 ASN HB3 H 1 2.680 0.020 . . . . . . 65 N HB# . 15684 1 711 . 1 1 67 67 ASN C C 13 174.739 0.000 . . . . . . 65 N CO . 15684 1 712 . 1 1 67 67 ASN CA C 13 53.289 0.046 . . . . . . 65 N CA . 15684 1 713 . 1 1 67 67 ASN CB C 13 39.238 0.137 . . . . . . 65 N CB . 15684 1 714 . 1 1 67 67 ASN N N 15 121.800 0.093 . . . . . . 65 N N . 15684 1 715 . 1 1 68 68 VAL H H 1 9.149 0.006 . . . . . . 66 V HN . 15684 1 716 . 1 1 68 68 VAL HA H 1 4.525 0.017 . . . . . . 66 V HA . 15684 1 717 . 1 1 68 68 VAL HB H 1 0.977 0.013 . . . . . . 66 V HB . 15684 1 718 . 1 1 68 68 VAL HG11 H 1 -0.241 0.005 . . . . . . 66 V HG11 . 15684 1 719 . 1 1 68 68 VAL HG12 H 1 -0.241 0.005 . . . . . . 66 V HG11 . 15684 1 720 . 1 1 68 68 VAL HG13 H 1 -0.241 0.005 . . . . . . 66 V HG11 . 15684 1 721 . 1 1 68 68 VAL HG21 H 1 -0.421 0.008 . . . . . . 66 V HG21 . 15684 1 722 . 1 1 68 68 VAL HG22 H 1 -0.421 0.008 . . . . . . 66 V HG21 . 15684 1 723 . 1 1 68 68 VAL HG23 H 1 -0.421 0.008 . . . . . . 66 V HG21 . 15684 1 724 . 1 1 68 68 VAL C C 13 175.421 0.000 . . . . . . 66 V CO . 15684 1 725 . 1 1 68 68 VAL CA C 13 61.276 0.051 . . . . . . 66 V CA . 15684 1 726 . 1 1 68 68 VAL CB C 13 32.364 0.199 . . . . . . 66 V CB . 15684 1 727 . 1 1 68 68 VAL CG1 C 13 20.329 0.010 . . . . . . 66 V CG1 . 15684 1 728 . 1 1 68 68 VAL CG2 C 13 20.624 0.013 . . . . . . 66 V CG2 . 15684 1 729 . 1 1 68 68 VAL N N 15 130.368 0.038 . . . . . . 66 V N . 15684 1 730 . 1 1 69 69 THR H H 1 8.722 0.009 . . . . . . 67 T HN . 15684 1 731 . 1 1 69 69 THR HA H 1 4.940 0.032 . . . . . . 67 T HA . 15684 1 732 . 1 1 69 69 THR HB H 1 3.898 0.033 . . . . . . 67 T HB . 15684 1 733 . 1 1 69 69 THR HG21 H 1 1.063 0.020 . . . . . . 67 T HG21 . 15684 1 734 . 1 1 69 69 THR HG22 H 1 1.063 0.020 . . . . . . 67 T HG21 . 15684 1 735 . 1 1 69 69 THR HG23 H 1 1.063 0.020 . . . . . . 67 T HG21 . 15684 1 736 . 1 1 69 69 THR C C 13 174.824 0.000 . . . . . . 67 T CO . 15684 1 737 . 1 1 69 69 THR CA C 13 61.771 0.105 . . . . . . 67 T CA . 15684 1 738 . 1 1 69 69 THR CB C 13 70.206 0.042 . . . . . . 67 T CB . 15684 1 739 . 1 1 69 69 THR CG2 C 13 20.865 0.026 . . . . . . 67 T CG2 . 15684 1 740 . 1 1 69 69 THR N N 15 125.838 0.027 . . . . . . 67 T N . 15684 1 741 . 1 1 70 70 SER H H 1 9.393 0.012 . . . . . . 68 S HN . 15684 1 742 . 1 1 70 70 SER HA H 1 4.550 0.014 . . . . . . 68 S HA . 15684 1 743 . 1 1 70 70 SER HB2 H 1 3.968 0.012 . . . . . . 68 S HB# . 15684 1 744 . 1 1 70 70 SER HB3 H 1 3.968 0.012 . . . . . . 68 S HB# . 15684 1 745 . 1 1 70 70 SER C C 13 174.985 0.000 . . . . . . 68 S CO . 15684 1 746 . 1 1 70 70 SER CA C 13 57.852 0.188 . . . . . . 68 S CA . 15684 1 747 . 1 1 70 70 SER CB C 13 64.655 0.053 . . . . . . 68 S CB . 15684 1 748 . 1 1 70 70 SER N N 15 124.106 0.054 . . . . . . 68 S N . 15684 1 749 . 1 1 71 71 ILE H H 1 8.946 0.008 . . . . . . 69 I HN . 15684 1 750 . 1 1 71 71 ILE HA H 1 4.491 0.022 . . . . . . 69 I HA . 15684 1 751 . 1 1 71 71 ILE HB H 1 1.927 0.012 . . . . . . 69 I HB . 15684 1 752 . 1 1 71 71 ILE HD11 H 1 0.788 0.009 . . . . . . 69 I HD11 . 15684 1 753 . 1 1 71 71 ILE HD12 H 1 0.788 0.009 . . . . . . 69 I HD11 . 15684 1 754 . 1 1 71 71 ILE HD13 H 1 0.788 0.009 . . . . . . 69 I HD11 . 15684 1 755 . 1 1 71 71 ILE HG12 H 1 1.216 0.026 . . . . . . 69 I HG11 . 15684 1 756 . 1 1 71 71 ILE HG21 H 1 0.590 0.005 . . . . . . 69 I HG21 . 15684 1 757 . 1 1 71 71 ILE HG22 H 1 0.590 0.005 . . . . . . 69 I HG21 . 15684 1 758 . 1 1 71 71 ILE HG23 H 1 0.590 0.005 . . . . . . 69 I HG21 . 15684 1 759 . 1 1 71 71 ILE C C 13 174.060 0.000 . . . . . . 69 I CO . 15684 1 760 . 1 1 71 71 ILE CA C 13 61.472 0.038 . . . . . . 69 I CA . 15684 1 761 . 1 1 71 71 ILE CB C 13 38.806 0.065 . . . . . . 69 I CB . 15684 1 762 . 1 1 71 71 ILE CD1 C 13 14.608 0.035 . . . . . . 69 I CD1 . 15684 1 763 . 1 1 71 71 ILE CG2 C 13 18.481 0.040 . . . . . . 69 I CG2 . 15684 1 764 . 1 1 71 71 ILE N N 15 125.407 0.067 . . . . . . 69 I N . 15684 1 765 . 1 1 72 72 LEU H H 1 8.703 0.006 . . . . . . 70 L HN . 15684 1 766 . 1 1 72 72 LEU HA H 1 5.054 0.013 . . . . . . 70 L HA . 15684 1 767 . 1 1 72 72 LEU HB2 H 1 1.373 0.019 . . . . . . 70 L HB1 . 15684 1 768 . 1 1 72 72 LEU HB3 H 1 1.513 0.003 . . . . . . 70 L HB2 . 15684 1 769 . 1 1 72 72 LEU HD11 H 1 0.535 0.011 . . . . . . 70 L HD11 . 15684 1 770 . 1 1 72 72 LEU HD12 H 1 0.535 0.011 . . . . . . 70 L HD11 . 15684 1 771 . 1 1 72 72 LEU HD13 H 1 0.535 0.011 . . . . . . 70 L HD11 . 15684 1 772 . 1 1 72 72 LEU HD21 H 1 0.351 0.008 . . . . . . 70 L HD21 . 15684 1 773 . 1 1 72 72 LEU HD22 H 1 0.351 0.008 . . . . . . 70 L HD21 . 15684 1 774 . 1 1 72 72 LEU HD23 H 1 0.351 0.008 . . . . . . 70 L HD21 . 15684 1 775 . 1 1 72 72 LEU C C 13 176.444 0.000 . . . . . . 70 L CO . 15684 1 776 . 1 1 72 72 LEU CA C 13 53.349 0.035 . . . . . . 70 L CA . 15684 1 777 . 1 1 72 72 LEU CB C 13 45.148 0.002 . . . . . . 70 L CB . 15684 1 778 . 1 1 72 72 LEU CD1 C 13 25.832 0.074 . . . . . . 70 L CD1 . 15684 1 779 . 1 1 72 72 LEU CD2 C 13 25.568 0.013 . . . . . . 70 L CD2 . 15684 1 780 . 1 1 72 72 LEU N N 15 124.139 0.040 . . . . . . 70 L N . 15684 1 781 . 1 1 73 73 VAL H H 1 9.086 0.007 . . . . . . 71 V HN . 15684 1 782 . 1 1 73 73 VAL HA H 1 4.266 0.014 . . . . . . 71 V HA . 15684 1 783 . 1 1 73 73 VAL HB H 1 2.038 0.023 . . . . . . 71 V HB . 15684 1 784 . 1 1 73 73 VAL HG11 H 1 1.008 0.011 . . . . . . 71 V HG11 . 15684 1 785 . 1 1 73 73 VAL HG12 H 1 1.008 0.011 . . . . . . 71 V HG11 . 15684 1 786 . 1 1 73 73 VAL HG13 H 1 1.008 0.011 . . . . . . 71 V HG11 . 15684 1 787 . 1 1 73 73 VAL HG21 H 1 1.002 0.006 . . . . . . 71 V HG21 . 15684 1 788 . 1 1 73 73 VAL HG22 H 1 1.002 0.006 . . . . . . 71 V HG21 . 15684 1 789 . 1 1 73 73 VAL HG23 H 1 1.002 0.006 . . . . . . 71 V HG21 . 15684 1 790 . 1 1 73 73 VAL C C 13 176.818 0.000 . . . . . . 71 V CO . 15684 1 791 . 1 1 73 73 VAL CA C 13 63.333 0.019 . . . . . . 71 V CA . 15684 1 792 . 1 1 73 73 VAL CB C 13 32.532 0.187 . . . . . . 71 V CB . 15684 1 793 . 1 1 73 73 VAL CG1 C 13 21.517 0.001 . . . . . . 71 V CG1 . 15684 1 794 . 1 1 73 73 VAL CG2 C 13 23.331 0.016 . . . . . . 71 V CG2 . 15684 1 795 . 1 1 73 73 VAL N N 15 121.412 0.042 . . . . . . 71 V N . 15684 1 796 . 1 1 74 74 ARG H H 1 8.244 0.010 . . . . . . 72 R HN . 15684 1 797 . 1 1 74 74 ARG HA H 1 4.496 0.012 . . . . . . 72 R HA . 15684 1 798 . 1 1 74 74 ARG HB2 H 1 1.556 0.022 . . . . . . 72 R HB# . 15684 1 799 . 1 1 74 74 ARG HB3 H 1 1.556 0.022 . . . . . . 72 R HB# . 15684 1 800 . 1 1 74 74 ARG HD2 H 1 3.109 0.009 . . . . . . 72 R HD# . 15684 1 801 . 1 1 74 74 ARG HD3 H 1 3.109 0.009 . . . . . . 72 R HD# . 15684 1 802 . 1 1 74 74 ARG HG2 H 1 1.548 0.009 . . . . . . 72 R HG1 . 15684 1 803 . 1 1 74 74 ARG HG3 H 1 1.365 0.008 . . . . . . 72 R HG2 . 15684 1 804 . 1 1 74 74 ARG C C 13 174.972 0.000 . . . . . . 72 R CO . 15684 1 805 . 1 1 74 74 ARG CA C 13 54.689 0.095 . . . . . . 72 R CA . 15684 1 806 . 1 1 74 74 ARG CB C 13 31.655 0.119 . . . . . . 72 R CB . 15684 1 807 . 1 1 74 74 ARG CD C 13 43.433 0.104 . . . . . . 72 R CD . 15684 1 808 . 1 1 74 74 ARG CG C 13 26.793 0.067 . . . . . . 72 R CG . 15684 1 809 . 1 1 74 74 ARG N N 15 129.148 0.049 . . . . . . 72 R N . 15684 1 810 . 1 1 75 75 GLY H H 1 9.070 0.017 . . . . . . 73 G HN . 15684 1 811 . 1 1 75 75 GLY HA2 H 1 3.954 0.014 . . . . . . 73 G HA1 . 15684 1 812 . 1 1 75 75 GLY HA3 H 1 3.682 0.009 . . . . . . 73 G HA2 . 15684 1 813 . 1 1 75 75 GLY C C 13 175.037 0.000 . . . . . . 73 G CO . 15684 1 814 . 1 1 75 75 GLY CA C 13 47.131 0.125 . . . . . . 73 G CA . 15684 1 815 . 1 1 75 75 GLY N N 15 117.972 0.064 . . . . . . 73 G N . 15684 1 816 . 1 1 76 76 GLN H H 1 8.929 0.039 . . . . . . 74 Q HN . 15684 1 817 . 1 1 76 76 GLN HA H 1 4.414 0.006 . . . . . . 74 Q HA . 15684 1 818 . 1 1 76 76 GLN HB2 H 1 2.356 0.022 . . . . . . 74 Q HB1 . 15684 1 819 . 1 1 76 76 GLN HB3 H 1 1.964 0.011 . . . . . . 74 Q HB2 . 15684 1 820 . 1 1 76 76 GLN HE21 H 1 6.856 0.004 . . . . . . 74 Q HE21 . 15684 1 821 . 1 1 76 76 GLN HE22 H 1 7.527 0.000 . . . . . . 74 Q HE22 . 15684 1 822 . 1 1 76 76 GLN HG2 H 1 2.399 0.019 . . . . . . 74 Q HG# . 15684 1 823 . 1 1 76 76 GLN HG3 H 1 2.399 0.019 . . . . . . 74 Q HG# . 15684 1 824 . 1 1 76 76 GLN C C 13 175.515 0.000 . . . . . . 74 Q CO . 15684 1 825 . 1 1 76 76 GLN CA C 13 55.986 0.034 . . . . . . 74 Q CA . 15684 1 826 . 1 1 76 76 GLN CB C 13 28.883 0.095 . . . . . . 74 Q CB . 15684 1 827 . 1 1 76 76 GLN CG C 13 34.369 0.125 . . . . . . 74 Q CG . 15684 1 828 . 1 1 76 76 GLN N N 15 125.289 0.033 . . . . . . 74 Q N . 15684 1 829 . 1 1 76 76 GLN NE2 N 15 112.506 0.004 . . . . . . 74 Q NE2 . 15684 1 830 . 1 1 77 77 GLY H H 1 8.034 0.009 . . . . . . 75 G HN . 15684 1 831 . 1 1 77 77 GLY HA2 H 1 4.567 0.012 . . . . . . 75 G HA1 . 15684 1 832 . 1 1 77 77 GLY HA3 H 1 3.853 0.006 . . . . . . 75 G HA2 . 15684 1 833 . 1 1 77 77 GLY C C 13 175.136 0.000 . . . . . . 75 G CO . 15684 1 834 . 1 1 77 77 GLY CA C 13 44.265 0.096 . . . . . . 75 G CA . 15684 1 835 . 1 1 77 77 GLY N N 15 109.565 0.028 . . . . . . 75 G N . 15684 1 836 . 1 1 78 78 CYS H H 1 8.392 0.006 . . . . . . 76 C HN . 15684 1 837 . 1 1 78 78 CYS HA H 1 5.463 0.011 . . . . . . 76 C HA . 15684 1 838 . 1 1 78 78 CYS HB2 H 1 2.584 0.011 . . . . . . 76 C HB# . 15684 1 839 . 1 1 78 78 CYS HB3 H 1 2.584 0.011 . . . . . . 76 C HB# . 15684 1 840 . 1 1 78 78 CYS C C 13 173.481 0.000 . . . . . . 76 C CO . 15684 1 841 . 1 1 78 78 CYS CA C 13 52.962 0.119 . . . . . . 76 C CA . 15684 1 842 . 1 1 78 78 CYS CB C 13 42.456 0.106 . . . . . . 76 C CB . 15684 1 843 . 1 1 78 78 CYS N N 15 118.208 0.068 . . . . . . 76 C N . 15684 1 844 . 1 1 79 79 ARG H H 1 9.436 0.015 . . . . . . 77 R HN . 15684 1 845 . 1 1 79 79 ARG HA H 1 4.621 0.012 . . . . . . 77 R HA . 15684 1 846 . 1 1 79 79 ARG HB2 H 1 1.574 0.012 . . . . . . 77 R HB1 . 15684 1 847 . 1 1 79 79 ARG HB3 H 1 1.554 0.016 . . . . . . 77 R HB2 . 15684 1 848 . 1 1 79 79 ARG HD2 H 1 3.066 0.016 . . . . . . 77 R HD# . 15684 1 849 . 1 1 79 79 ARG HD3 H 1 3.066 0.016 . . . . . . 77 R HD# . 15684 1 850 . 1 1 79 79 ARG HG2 H 1 1.350 0.004 . . . . . . 77 R HG# . 15684 1 851 . 1 1 79 79 ARG HG3 H 1 1.350 0.004 . . . . . . 77 R HG# . 15684 1 852 . 1 1 79 79 ARG C C 13 172.731 0.000 . . . . . . 77 R CO . 15684 1 853 . 1 1 79 79 ARG CA C 13 54.281 0.035 . . . . . . 77 R CA . 15684 1 854 . 1 1 79 79 ARG CB C 13 33.567 0.072 . . . . . . 77 R CB . 15684 1 855 . 1 1 79 79 ARG CD C 13 43.412 0.056 . . . . . . 77 R CD . 15684 1 856 . 1 1 79 79 ARG N N 15 124.271 0.051 . . . . . . 77 R N . 15684 1 857 . 1 1 80 80 TYR H H 1 8.553 0.010 . . . . . . 78 Y HN . 15684 1 858 . 1 1 80 80 TYR HA H 1 5.399 0.024 . . . . . . 78 Y HA . 15684 1 859 . 1 1 80 80 TYR HB2 H 1 2.866 0.017 . . . . . . 78 Y HB1 . 15684 1 860 . 1 1 80 80 TYR HB3 H 1 2.641 0.010 . . . . . . 78 Y HB2 . 15684 1 861 . 1 1 80 80 TYR HD1 H 1 6.944 0.012 . . . . . . 78 Y HD# . 15684 1 862 . 1 1 80 80 TYR HD2 H 1 6.944 0.012 . . . . . . 78 Y HD# . 15684 1 863 . 1 1 80 80 TYR HE1 H 1 6.640 0.001 . . . . . . 78 Y HE# . 15684 1 864 . 1 1 80 80 TYR HE2 H 1 6.640 0.001 . . . . . . 78 Y HE# . 15684 1 865 . 1 1 80 80 TYR C C 13 175.596 0.000 . . . . . . 78 Y CO . 15684 1 866 . 1 1 80 80 TYR CA C 13 56.261 0.040 . . . . . . 78 Y CA . 15684 1 867 . 1 1 80 80 TYR CB C 13 40.409 0.040 . . . . . . 78 Y CB . 15684 1 868 . 1 1 80 80 TYR N N 15 121.709 0.053 . . . . . . 78 Y N . 15684 1 869 . 1 1 81 81 TRP H H 1 9.113 0.006 . . . . . . 79 W HN . 15684 1 870 . 1 1 81 81 TRP HA H 1 5.255 0.013 . . . . . . 79 W HA . 15684 1 871 . 1 1 81 81 TRP HB2 H 1 2.867 0.013 . . . . . . 79 W HB1 . 15684 1 872 . 1 1 81 81 TRP HB3 H 1 3.134 0.034 . . . . . . 79 W HB2 . 15684 1 873 . 1 1 81 81 TRP C C 13 174.774 0.000 . . . . . . 79 W CO . 15684 1 874 . 1 1 81 81 TRP CA C 13 55.139 0.026 . . . . . . 79 W CA . 15684 1 875 . 1 1 81 81 TRP CB C 13 32.107 0.000 . . . . . . 79 W CB . 15684 1 876 . 1 1 81 81 TRP N N 15 126.039 0.028 . . . . . . 79 W N . 15684 1 877 . 1 1 82 82 ILE H H 1 8.940 0.008 . . . . . . 80 I HN . 15684 1 878 . 1 1 82 82 ILE HA H 1 5.010 0.011 . . . . . . 80 I HA . 15684 1 879 . 1 1 82 82 ILE HB H 1 1.641 0.009 . . . . . . 80 I HB . 15684 1 880 . 1 1 82 82 ILE HD11 H 1 0.807 0.022 . . . . . . 80 I HD11 . 15684 1 881 . 1 1 82 82 ILE HD12 H 1 0.807 0.022 . . . . . . 80 I HD11 . 15684 1 882 . 1 1 82 82 ILE HD13 H 1 0.807 0.022 . . . . . . 80 I HD11 . 15684 1 883 . 1 1 82 82 ILE HG12 H 1 1.440 0.011 . . . . . . 80 I HG11 . 15684 1 884 . 1 1 82 82 ILE HG13 H 1 1.216 0.004 . . . . . . 80 I HG12 . 15684 1 885 . 1 1 82 82 ILE HG21 H 1 0.753 0.028 . . . . . . 80 I HG21 . 15684 1 886 . 1 1 82 82 ILE HG22 H 1 0.753 0.028 . . . . . . 80 I HG21 . 15684 1 887 . 1 1 82 82 ILE HG23 H 1 0.753 0.028 . . . . . . 80 I HG21 . 15684 1 888 . 1 1 82 82 ILE C C 13 175.093 0.000 . . . . . . 80 I CO . 15684 1 889 . 1 1 82 82 ILE CA C 13 60.795 0.101 . . . . . . 80 I CA . 15684 1 890 . 1 1 82 82 ILE CB C 13 40.303 0.079 . . . . . . 80 I CB . 15684 1 891 . 1 1 82 82 ILE CD1 C 13 13.832 0.027 . . . . . . 80 I CD1 . 15684 1 892 . 1 1 82 82 ILE CG1 C 13 27.875 0.171 . . . . . . 80 I CG1 . 15684 1 893 . 1 1 82 82 ILE CG2 C 13 17.337 0.012 . . . . . . 80 I CG2 . 15684 1 894 . 1 1 82 82 ILE N N 15 129.534 0.062 . . . . . . 80 I N . 15684 1 895 . 1 1 83 83 ARG H H 1 8.709 0.011 . . . . . . 81 R HN . 15684 1 896 . 1 1 83 83 ARG HA H 1 4.542 0.004 . . . . . . 81 R HA . 15684 1 897 . 1 1 83 83 ARG HB2 H 1 1.573 0.016 . . . . . . 81 R HB# . 15684 1 898 . 1 1 83 83 ARG HB3 H 1 1.573 0.016 . . . . . . 81 R HB# . 15684 1 899 . 1 1 83 83 ARG HG2 H 1 1.354 0.013 . . . . . . 81 R HG# . 15684 1 900 . 1 1 83 83 ARG HG3 H 1 1.354 0.013 . . . . . . 81 R HG# . 15684 1 901 . 1 1 83 83 ARG C C 13 173.270 0.000 . . . . . . 81 R CO . 15684 1 902 . 1 1 83 83 ARG CA C 13 54.537 0.111 . . . . . . 81 R CA . 15684 1 903 . 1 1 83 83 ARG CB C 13 34.639 0.074 . . . . . . 81 R CB . 15684 1 904 . 1 1 83 83 ARG N N 15 126.527 0.059 . . . . . . 81 R N . 15684 1 905 . 1 1 84 84 THR H H 1 8.386 0.006 . . . . . . 82 T HN . 15684 1 906 . 1 1 84 84 THR HA H 1 5.302 0.009 . . . . . . 82 T HA . 15684 1 907 . 1 1 84 84 THR HB H 1 3.914 0.008 . . . . . . 82 T HB . 15684 1 908 . 1 1 84 84 THR HG21 H 1 1.271 0.008 . . . . . . 82 T HG21 . 15684 1 909 . 1 1 84 84 THR HG22 H 1 1.271 0.008 . . . . . . 82 T HG21 . 15684 1 910 . 1 1 84 84 THR HG23 H 1 1.271 0.008 . . . . . . 82 T HG21 . 15684 1 911 . 1 1 84 84 THR C C 13 174.172 0.000 . . . . . . 82 T CO . 15684 1 912 . 1 1 84 84 THR CA C 13 61.117 0.021 . . . . . . 82 T CA . 15684 1 913 . 1 1 84 84 THR CB C 13 71.140 0.035 . . . . . . 82 T CB . 15684 1 914 . 1 1 84 84 THR CG2 C 13 22.055 0.061 . . . . . . 82 T CG2 . 15684 1 915 . 1 1 84 84 THR N N 15 115.268 0.066 . . . . . . 82 T N . 15684 1 916 . 1 1 85 85 PHE H H 1 9.363 0.010 . . . . . . 83 F HN . 15684 1 917 . 1 1 85 85 PHE HA H 1 5.977 0.019 . . . . . . 83 F HA . 15684 1 918 . 1 1 85 85 PHE HB2 H 1 3.119 0.020 . . . . . . 83 F HB# . 15684 1 919 . 1 1 85 85 PHE HB3 H 1 3.119 0.020 . . . . . . 83 F HB# . 15684 1 920 . 1 1 85 85 PHE HD1 H 1 6.946 0.005 . . . . . . 83 F HD# . 15684 1 921 . 1 1 85 85 PHE HD2 H 1 6.946 0.005 . . . . . . 83 F HD# . 15684 1 922 . 1 1 85 85 PHE HE1 H 1 7.414 0.003 . . . . . . 83 F HE# . 15684 1 923 . 1 1 85 85 PHE HE2 H 1 7.414 0.003 . . . . . . 83 F HE# . 15684 1 924 . 1 1 85 85 PHE C C 13 174.698 0.000 . . . . . . 83 F CO . 15684 1 925 . 1 1 85 85 PHE CA C 13 52.415 0.023 . . . . . . 83 F CA . 15684 1 926 . 1 1 85 85 PHE CB C 13 39.590 0.000 . . . . . . 83 F CB . 15684 1 927 . 1 1 85 85 PHE N N 15 126.204 0.042 . . . . . . 83 F N . 15684 1 928 . 1 1 86 86 VAL H H 1 9.489 0.006 . . . . . . 84 V HN . 15684 1 929 . 1 1 86 86 VAL HA H 1 4.883 0.029 . . . . . . 84 V HA . 15684 1 930 . 1 1 86 86 VAL HB H 1 2.245 0.012 . . . . . . 84 V HB . 15684 1 931 . 1 1 86 86 VAL HG11 H 1 1.017 0.022 . . . . . . 84 V HG11 . 15684 1 932 . 1 1 86 86 VAL HG12 H 1 1.017 0.022 . . . . . . 84 V HG11 . 15684 1 933 . 1 1 86 86 VAL HG13 H 1 1.017 0.022 . . . . . . 84 V HG11 . 15684 1 934 . 1 1 86 86 VAL HG21 H 1 1.101 0.041 . . . . . . 84 V HG21 . 15684 1 935 . 1 1 86 86 VAL HG22 H 1 1.101 0.041 . . . . . . 84 V HG21 . 15684 1 936 . 1 1 86 86 VAL HG23 H 1 1.101 0.041 . . . . . . 84 V HG21 . 15684 1 937 . 1 1 86 86 VAL CA C 13 58.646 0.010 . . . . . . 84 V CA . 15684 1 938 . 1 1 86 86 VAL CB C 13 33.349 0.142 . . . . . . 84 V CB . 15684 1 939 . 1 1 86 86 VAL CG1 C 13 20.440 0.023 . . . . . . 84 V CG1 . 15684 1 940 . 1 1 86 86 VAL CG2 C 13 21.125 0.011 . . . . . . 84 V CG2 . 15684 1 941 . 1 1 86 86 VAL N N 15 122.375 0.045 . . . . . . 84 V N . 15684 1 942 . 1 1 87 87 PRO HA H 1 4.311 0.010 . . . . . . 85 P HA . 15684 1 943 . 1 1 87 87 PRO HB2 H 1 2.385 0.009 . . . . . . 85 P HB1 . 15684 1 944 . 1 1 87 87 PRO HB3 H 1 2.064 0.026 . . . . . . 85 P HB2 . 15684 1 945 . 1 1 87 87 PRO HD2 H 1 3.934 0.020 . . . . . . 85 P HD# . 15684 1 946 . 1 1 87 87 PRO HD3 H 1 3.934 0.020 . . . . . . 85 P HD# . 15684 1 947 . 1 1 87 87 PRO C C 13 176.882 0.000 . . . . . . 85 P CO . 15684 1 948 . 1 1 87 87 PRO CA C 13 64.014 0.037 . . . . . . 85 P CA . 15684 1 949 . 1 1 87 87 PRO CB C 13 32.588 0.073 . . . . . . 85 P CB . 15684 1 950 . 1 1 87 87 PRO CD C 13 51.476 0.000 . . . . . . 85 P CD . 15684 1 951 . 1 1 88 88 SER H H 1 7.953 0.008 . . . . . . 86 S HN . 15684 1 952 . 1 1 88 88 SER HA H 1 4.741 0.012 . . . . . . 86 S HA . 15684 1 953 . 1 1 88 88 SER HB2 H 1 3.675 0.022 . . . . . . 86 S HB# . 15684 1 954 . 1 1 88 88 SER HB3 H 1 3.675 0.022 . . . . . . 86 S HB# . 15684 1 955 . 1 1 88 88 SER C C 13 175.564 0.000 . . . . . . 86 S CO . 15684 1 956 . 1 1 88 88 SER CA C 13 54.857 0.139 . . . . . . 86 S CA . 15684 1 957 . 1 1 88 88 SER CB C 13 63.229 0.082 . . . . . . 86 S CB . 15684 1 958 . 1 1 88 88 SER N N 15 118.741 0.054 . . . . . . 86 S N . 15684 1 959 . 1 1 89 89 SER H H 1 8.352 0.004 . . . . . . 87 S HN . 15684 1 960 . 1 1 89 89 SER HA H 1 4.118 0.009 . . . . . . 87 S HA . 15684 1 961 . 1 1 89 89 SER HB2 H 1 3.936 0.010 . . . . . . 87 S HB# . 15684 1 962 . 1 1 89 89 SER HB3 H 1 3.936 0.010 . . . . . . 87 S HB# . 15684 1 963 . 1 1 89 89 SER C C 13 173.999 0.000 . . . . . . 87 S CO . 15684 1 964 . 1 1 89 89 SER CA C 13 61.718 0.025 . . . . . . 87 S CA . 15684 1 965 . 1 1 89 89 SER CB C 13 63.230 0.011 . . . . . . 87 S CB . 15684 1 966 . 1 1 89 89 SER N N 15 116.214 0.058 . . . . . . 87 S N . 15684 1 967 . 1 1 90 90 ARG H H 1 7.658 0.007 . . . . . . 88 R HN . 15684 1 968 . 1 1 90 90 ARG HA H 1 4.834 0.000 . . . . . . 88 R HA . 15684 1 969 . 1 1 90 90 ARG HB2 H 1 1.512 0.000 . . . . . . 88 R HB# . 15684 1 970 . 1 1 90 90 ARG HB3 H 1 1.512 0.000 . . . . . . 88 R HB# . 15684 1 971 . 1 1 90 90 ARG HD2 H 1 3.024 0.000 . . . . . . 88 R HD# . 15684 1 972 . 1 1 90 90 ARG HD3 H 1 3.024 0.000 . . . . . . 88 R HD# . 15684 1 973 . 1 1 90 90 ARG HG2 H 1 1.333 0.009 . . . . . . 88 R HG# . 15684 1 974 . 1 1 90 90 ARG HG3 H 1 1.333 0.009 . . . . . . 88 R HG# . 15684 1 975 . 1 1 90 90 ARG CA C 13 52.905 0.000 . . . . . . 88 R CA . 15684 1 976 . 1 1 90 90 ARG CB C 13 31.862 0.000 . . . . . . 88 R CB . 15684 1 977 . 1 1 90 90 ARG N N 15 119.481 0.025 . . . . . . 88 R N . 15684 1 978 . 1 1 91 91 PRO HA H 1 4.379 0.035 . . . . . . 89 P HA . 15684 1 979 . 1 1 91 91 PRO HB2 H 1 2.078 0.012 . . . . . . 89 P HB1 . 15684 1 980 . 1 1 91 91 PRO HB3 H 1 2.542 0.005 . . . . . . 89 P HB2 . 15684 1 981 . 1 1 91 91 PRO HG2 H 1 2.107 0.000 . . . . . . 89 P HG1 . 15684 1 982 . 1 1 91 91 PRO HG3 H 1 2.016 0.000 . . . . . . 89 P HG2 . 15684 1 983 . 1 1 91 91 PRO C C 13 176.880 0.000 . . . . . . 89 P CO . 15684 1 984 . 1 1 91 91 PRO CA C 13 63.319 0.041 . . . . . . 89 P CA . 15684 1 985 . 1 1 91 91 PRO CB C 13 31.983 0.130 . . . . . . 89 P CB . 15684 1 986 . 1 1 91 91 PRO CG C 13 27.771 0.215 . . . . . . 89 P CG . 15684 1 987 . 1 1 92 92 GLY H H 1 8.356 0.003 . . . . . . 90 G HN . 15684 1 988 . 1 1 92 92 GLY HA2 H 1 3.692 0.008 . . . . . . 90 G HA1 . 15684 1 989 . 1 1 92 92 GLY HA3 H 1 1.793 0.009 . . . . . . 90 G HA2 . 15684 1 990 . 1 1 92 92 GLY C C 13 171.260 0.000 . . . . . . 90 G CO . 15684 1 991 . 1 1 92 92 GLY CA C 13 44.245 0.063 . . . . . . 90 G CA . 15684 1 992 . 1 1 92 92 GLY N N 15 113.201 0.061 . . . . . . 90 G N . 15684 1 993 . 1 1 93 93 GLN H H 1 7.725 0.003 . . . . . . 91 Q HN . 15684 1 994 . 1 1 93 93 GLN HA H 1 5.155 0.017 . . . . . . 91 Q HA . 15684 1 995 . 1 1 93 93 GLN HB2 H 1 1.910 0.011 . . . . . . 91 Q HB# . 15684 1 996 . 1 1 93 93 GLN HB3 H 1 1.910 0.011 . . . . . . 91 Q HB# . 15684 1 997 . 1 1 93 93 GLN HG2 H 1 2.243 0.012 . . . . . . 91 Q HG# . 15684 1 998 . 1 1 93 93 GLN HG3 H 1 2.243 0.012 . . . . . . 91 Q HG# . 15684 1 999 . 1 1 93 93 GLN C C 13 176.016 0.000 . . . . . . 91 Q CO . 15684 1 1000 . 1 1 93 93 GLN CA C 13 53.776 0.101 . . . . . . 91 Q CA . 15684 1 1001 . 1 1 93 93 GLN CB C 13 31.957 0.150 . . . . . . 91 Q CB . 15684 1 1002 . 1 1 93 93 GLN CG C 13 34.391 0.160 . . . . . . 91 Q CG . 15684 1 1003 . 1 1 93 93 GLN N N 15 119.679 0.042 . . . . . . 91 Q N . 15684 1 1004 . 1 1 94 94 PHE H H 1 9.543 0.012 . . . . . . 92 F HN . 15684 1 1005 . 1 1 94 94 PHE HA H 1 5.473 0.020 . . . . . . 92 F HA . 15684 1 1006 . 1 1 94 94 PHE HB2 H 1 3.225 0.016 . . . . . . 92 F HB1 . 15684 1 1007 . 1 1 94 94 PHE HB3 H 1 2.389 0.007 . . . . . . 92 F HB2 . 15684 1 1008 . 1 1 94 94 PHE HD1 H 1 6.773 0.004 . . . . . . 92 F HD# . 15684 1 1009 . 1 1 94 94 PHE HD2 H 1 6.773 0.004 . . . . . . 92 F HD# . 15684 1 1010 . 1 1 94 94 PHE HE1 H 1 7.062 0.012 . . . . . . 92 F HE# . 15684 1 1011 . 1 1 94 94 PHE HE2 H 1 7.062 0.012 . . . . . . 92 F HE# . 15684 1 1012 . 1 1 94 94 PHE C C 13 175.304 0.000 . . . . . . 92 F CO . 15684 1 1013 . 1 1 94 94 PHE CA C 13 56.320 0.037 . . . . . . 92 F CA . 15684 1 1014 . 1 1 94 94 PHE CB C 13 44.038 0.050 . . . . . . 92 F CB . 15684 1 1015 . 1 1 94 94 PHE N N 15 121.696 0.050 . . . . . . 92 F N . 15684 1 1016 . 1 1 95 95 THR H H 1 9.446 0.008 . . . . . . 93 T HN . 15684 1 1017 . 1 1 95 95 THR HA H 1 5.385 0.016 . . . . . . 93 T HA . 15684 1 1018 . 1 1 95 95 THR HB H 1 4.492 0.010 . . . . . . 93 T HB . 15684 1 1019 . 1 1 95 95 THR HG21 H 1 1.323 0.010 . . . . . . 93 T HG21 . 15684 1 1020 . 1 1 95 95 THR HG22 H 1 1.323 0.010 . . . . . . 93 T HG21 . 15684 1 1021 . 1 1 95 95 THR HG23 H 1 1.323 0.010 . . . . . . 93 T HG21 . 15684 1 1022 . 1 1 95 95 THR C C 13 173.787 0.000 . . . . . . 93 T CO . 15684 1 1023 . 1 1 95 95 THR CA C 13 59.873 0.074 . . . . . . 93 T CA . 15684 1 1024 . 1 1 95 95 THR CB C 13 71.344 0.008 . . . . . . 93 T CB . 15684 1 1025 . 1 1 95 95 THR CG2 C 13 20.572 0.007 . . . . . . 93 T CG2 . 15684 1 1026 . 1 1 95 95 THR N N 15 114.497 0.027 . . . . . . 93 T N . 15684 1 1027 . 1 1 96 96 LEU H H 1 7.767 0.006 . . . . . . 94 L HN . 15684 1 1028 . 1 1 96 96 LEU HA H 1 4.835 0.024 . . . . . . 94 L HA . 15684 1 1029 . 1 1 96 96 LEU HB2 H 1 1.215 0.000 . . . . . . 94 L HB1 . 15684 1 1030 . 1 1 96 96 LEU HB3 H 1 1.615 0.006 . . . . . . 94 L HB2 . 15684 1 1031 . 1 1 96 96 LEU HD11 H 1 0.638 0.012 . . . . . . 94 L HD11 . 15684 1 1032 . 1 1 96 96 LEU HD12 H 1 0.638 0.012 . . . . . . 94 L HD11 . 15684 1 1033 . 1 1 96 96 LEU HD13 H 1 0.638 0.012 . . . . . . 94 L HD11 . 15684 1 1034 . 1 1 96 96 LEU HD21 H 1 0.117 0.010 . . . . . . 94 L HD21 . 15684 1 1035 . 1 1 96 96 LEU HD22 H 1 0.117 0.010 . . . . . . 94 L HD21 . 15684 1 1036 . 1 1 96 96 LEU HD23 H 1 0.117 0.010 . . . . . . 94 L HD21 . 15684 1 1037 . 1 1 96 96 LEU HG H 1 1.839 0.000 . . . . . . 94 L HG . 15684 1 1038 . 1 1 96 96 LEU C C 13 177.089 0.000 . . . . . . 94 L CO . 15684 1 1039 . 1 1 96 96 LEU CA C 13 54.920 0.020 . . . . . . 94 L CA . 15684 1 1040 . 1 1 96 96 LEU CB C 13 43.736 0.097 . . . . . . 94 L CB . 15684 1 1041 . 1 1 96 96 LEU CD1 C 13 26.058 0.088 . . . . . . 94 L CD1 . 15684 1 1042 . 1 1 96 96 LEU CD2 C 13 25.491 0.027 . . . . . . 94 L CD2 . 15684 1 1043 . 1 1 96 96 LEU N N 15 123.267 0.035 . . . . . . 94 L N . 15684 1 1044 . 1 1 97 97 GLY H H 1 9.435 0.007 . . . . . . 95 G HN . 15684 1 1045 . 1 1 97 97 GLY HA2 H 1 4.181 0.009 . . . . . . 95 G HA1 . 15684 1 1046 . 1 1 97 97 GLY HA3 H 1 3.624 0.013 . . . . . . 95 G HA2 . 15684 1 1047 . 1 1 97 97 GLY C C 13 174.035 0.000 . . . . . . 95 G CO . 15684 1 1048 . 1 1 97 97 GLY CA C 13 45.778 0.100 . . . . . . 95 G CA . 15684 1 1049 . 1 1 97 97 GLY N N 15 115.259 0.048 . . . . . . 95 G N . 15684 1 1050 . 1 1 98 98 ASN H H 1 8.928 0.007 . . . . . . 96 N HN . 15684 1 1051 . 1 1 98 98 ASN HA H 1 4.651 0.011 . . . . . . 96 N HA . 15684 1 1052 . 1 1 98 98 ASN HB2 H 1 3.020 0.030 . . . . . . 96 N HB1 . 15684 1 1053 . 1 1 98 98 ASN HB3 H 1 2.916 0.013 . . . . . . 96 N HB2 . 15684 1 1054 . 1 1 98 98 ASN HD21 H 1 7.650 0.000 . . . . . . 96 N HD21 . 15684 1 1055 . 1 1 98 98 ASN C C 13 176.968 0.000 . . . . . . 96 N CO . 15684 1 1056 . 1 1 98 98 ASN CA C 13 53.584 0.060 . . . . . . 96 N CA . 15684 1 1057 . 1 1 98 98 ASN CB C 13 36.838 0.116 . . . . . . 96 N CB . 15684 1 1058 . 1 1 98 98 ASN N N 15 118.607 0.068 . . . . . . 96 N N . 15684 1 1059 . 1 1 98 98 ASN ND2 N 15 112.596 0.000 . . . . . . 96 N ND2 . 15684 1 1060 . 1 1 99 99 ILE H H 1 7.680 0.004 . . . . . . 97 I HN . 15684 1 1061 . 1 1 99 99 ILE HA H 1 3.995 0.019 . . . . . . 97 I HA . 15684 1 1062 . 1 1 99 99 ILE HB H 1 2.057 0.010 . . . . . . 97 I HB . 15684 1 1063 . 1 1 99 99 ILE HD11 H 1 0.959 0.013 . . . . . . 97 I HD11 . 15684 1 1064 . 1 1 99 99 ILE HD12 H 1 0.959 0.013 . . . . . . 97 I HD11 . 15684 1 1065 . 1 1 99 99 ILE HD13 H 1 0.959 0.013 . . . . . . 97 I HD11 . 15684 1 1066 . 1 1 99 99 ILE HG12 H 1 1.458 0.014 . . . . . . 97 I HG1# . 15684 1 1067 . 1 1 99 99 ILE HG13 H 1 1.458 0.014 . . . . . . 97 I HG1# . 15684 1 1068 . 1 1 99 99 ILE HG21 H 1 0.922 0.015 . . . . . . 97 I HG21 . 15684 1 1069 . 1 1 99 99 ILE HG22 H 1 0.922 0.015 . . . . . . 97 I HG21 . 15684 1 1070 . 1 1 99 99 ILE HG23 H 1 0.922 0.015 . . . . . . 97 I HG21 . 15684 1 1071 . 1 1 99 99 ILE C C 13 176.753 0.000 . . . . . . 97 I CO . 15684 1 1072 . 1 1 99 99 ILE CA C 13 65.064 0.050 . . . . . . 97 I CA . 15684 1 1073 . 1 1 99 99 ILE CB C 13 38.556 0.028 . . . . . . 97 I CB . 15684 1 1074 . 1 1 99 99 ILE CD1 C 13 14.726 0.027 . . . . . . 97 I CD1 . 15684 1 1075 . 1 1 99 99 ILE CG1 C 13 29.797 0.000 . . . . . . 97 I CG1 . 15684 1 1076 . 1 1 99 99 ILE CG2 C 13 16.059 0.006 . . . . . . 97 I CG2 . 15684 1 1077 . 1 1 99 99 ILE N N 15 118.766 0.063 . . . . . . 97 I N . 15684 1 1078 . 1 1 100 100 HIS H H 1 8.471 0.008 . . . . . . 98 H HN . 15684 1 1079 . 1 1 100 100 HIS HA H 1 4.544 0.009 . . . . . . 98 H HA . 15684 1 1080 . 1 1 100 100 HIS HB2 H 1 3.288 0.008 . . . . . . 98 H HB# . 15684 1 1081 . 1 1 100 100 HIS HB3 H 1 3.288 0.008 . . . . . . 98 H HB# . 15684 1 1082 . 1 1 100 100 HIS C C 13 176.004 0.000 . . . . . . 98 H CO . 15684 1 1083 . 1 1 100 100 HIS CA C 13 57.712 0.042 . . . . . . 98 H CA . 15684 1 1084 . 1 1 100 100 HIS CB C 13 28.632 0.091 . . . . . . 98 H CB . 15684 1 1085 . 1 1 100 100 HIS N N 15 119.007 0.032 . . . . . . 98 H N . 15684 1 1086 . 1 1 101 101 SER H H 1 8.127 0.004 . . . . . . 99 S HN . 15684 1 1087 . 1 1 101 101 SER HA H 1 4.291 0.005 . . . . . . 99 S HA . 15684 1 1088 . 1 1 101 101 SER HB2 H 1 3.655 0.009 . . . . . . 99 S HB1 . 15684 1 1089 . 1 1 101 101 SER HB3 H 1 3.718 0.066 . . . . . . 99 S HB2 . 15684 1 1090 . 1 1 101 101 SER C C 13 172.472 0.000 . . . . . . 99 S CO . 15684 1 1091 . 1 1 101 101 SER CA C 13 59.438 0.072 . . . . . . 99 S CA . 15684 1 1092 . 1 1 101 101 SER CB C 13 63.238 0.123 . . . . . . 99 S CB . 15684 1 1093 . 1 1 101 101 SER N N 15 115.156 0.053 . . . . . . 99 S N . 15684 1 1094 . 1 1 102 102 TYR H H 1 7.763 0.008 . . . . . . 100 Y HN . 15684 1 1095 . 1 1 102 102 TYR HA H 1 4.994 0.008 . . . . . . 100 Y HA . 15684 1 1096 . 1 1 102 102 TYR HB2 H 1 3.138 0.015 . . . . . . 100 Y HB1 . 15684 1 1097 . 1 1 102 102 TYR HB3 H 1 2.931 0.011 . . . . . . 100 Y HB2 . 15684 1 1098 . 1 1 102 102 TYR HD1 H 1 7.189 0.004 . . . . . . 100 Y HD# . 15684 1 1099 . 1 1 102 102 TYR HD2 H 1 7.189 0.004 . . . . . . 100 Y HD# . 15684 1 1100 . 1 1 102 102 TYR HE1 H 1 6.862 0.018 . . . . . . 100 Y HE# . 15684 1 1101 . 1 1 102 102 TYR HE2 H 1 6.862 0.018 . . . . . . 100 Y HE# . 15684 1 1102 . 1 1 102 102 TYR CA C 13 54.919 0.035 . . . . . . 100 Y CA . 15684 1 1103 . 1 1 102 102 TYR CB C 13 38.232 0.000 . . . . . . 100 Y CB . 15684 1 1104 . 1 1 102 102 TYR N N 15 121.727 0.039 . . . . . . 100 Y N . 15684 1 1105 . 1 1 103 103 PRO HA H 1 4.449 0.010 . . . . . . 101 P HA . 15684 1 1106 . 1 1 103 103 PRO HB2 H 1 2.412 0.019 . . . . . . 101 P HB1 . 15684 1 1107 . 1 1 103 103 PRO HB3 H 1 2.023 0.019 . . . . . . 101 P HB2 . 15684 1 1108 . 1 1 103 103 PRO HD2 H 1 3.836 0.016 . . . . . . 101 P HD1 . 15684 1 1109 . 1 1 103 103 PRO HD3 H 1 3.663 0.013 . . . . . . 101 P HD2 . 15684 1 1110 . 1 1 103 103 PRO HG2 H 1 2.035 0.007 . . . . . . 101 P HG# . 15684 1 1111 . 1 1 103 103 PRO HG3 H 1 2.035 0.007 . . . . . . 101 P HG# . 15684 1 1112 . 1 1 103 103 PRO C C 13 177.734 0.000 . . . . . . 101 P CO . 15684 1 1113 . 1 1 103 103 PRO CA C 13 64.596 0.011 . . . . . . 101 P CA . 15684 1 1114 . 1 1 103 103 PRO CB C 13 32.087 0.079 . . . . . . 101 P CB . 15684 1 1115 . 1 1 103 103 PRO CD C 13 50.631 0.015 . . . . . . 101 P CD . 15684 1 1116 . 1 1 103 103 PRO CG C 13 27.563 0.000 . . . . . . 101 P CG . 15684 1 1117 . 1 1 104 104 GLN H H 1 8.851 0.004 . . . . . . 102 Q HN . 15684 1 1118 . 1 1 104 104 GLN HA H 1 4.434 0.017 . . . . . . 102 Q HA . 15684 1 1119 . 1 1 104 104 GLN HB2 H 1 2.217 0.045 . . . . . . 102 Q HB# . 15684 1 1120 . 1 1 104 104 GLN HB3 H 1 2.217 0.045 . . . . . . 102 Q HB# . 15684 1 1121 . 1 1 104 104 GLN HG2 H 1 2.395 0.052 . . . . . . 102 Q HG# . 15684 1 1122 . 1 1 104 104 GLN HG3 H 1 2.395 0.052 . . . . . . 102 Q HG# . 15684 1 1123 . 1 1 104 104 GLN C C 13 175.961 0.000 . . . . . . 102 Q CO . 15684 1 1124 . 1 1 104 104 GLN CA C 13 56.587 0.093 . . . . . . 102 Q CA . 15684 1 1125 . 1 1 104 104 GLN CB C 13 28.326 0.108 . . . . . . 102 Q CB . 15684 1 1126 . 1 1 104 104 GLN CG C 13 34.222 0.062 . . . . . . 102 Q CG . 15684 1 1127 . 1 1 104 104 GLN N N 15 115.110 0.019 . . . . . . 102 Q N . 15684 1 1128 . 1 1 105 105 ILE H H 1 8.151 0.005 . . . . . . 103 I HN . 15684 1 1129 . 1 1 105 105 ILE HA H 1 4.436 0.015 . . . . . . 103 I HA . 15684 1 1130 . 1 1 105 105 ILE HB H 1 2.181 0.018 . . . . . . 103 I HB . 15684 1 1131 . 1 1 105 105 ILE HD11 H 1 0.783 0.006 . . . . . . 103 I HD11 . 15684 1 1132 . 1 1 105 105 ILE HD12 H 1 0.783 0.006 . . . . . . 103 I HD11 . 15684 1 1133 . 1 1 105 105 ILE HD13 H 1 0.783 0.006 . . . . . . 103 I HD11 . 15684 1 1134 . 1 1 105 105 ILE HG12 H 1 1.665 0.017 . . . . . . 103 I HG11 . 15684 1 1135 . 1 1 105 105 ILE HG21 H 1 1.044 0.013 . . . . . . 103 I HG21 . 15684 1 1136 . 1 1 105 105 ILE HG22 H 1 1.044 0.013 . . . . . . 103 I HG21 . 15684 1 1137 . 1 1 105 105 ILE HG23 H 1 1.044 0.013 . . . . . . 103 I HG21 . 15684 1 1138 . 1 1 105 105 ILE C C 13 173.416 0.000 . . . . . . 103 I CO . 15684 1 1139 . 1 1 105 105 ILE CA C 13 61.576 0.048 . . . . . . 103 I CA . 15684 1 1140 . 1 1 105 105 ILE CB C 13 38.592 0.086 . . . . . . 103 I CB . 15684 1 1141 . 1 1 105 105 ILE CD1 C 13 12.713 0.021 . . . . . . 103 I CD1 . 15684 1 1142 . 1 1 105 105 ILE CG2 C 13 19.333 0.000 . . . . . . 103 I CG2 . 15684 1 1143 . 1 1 105 105 ILE N N 15 121.399 0.054 . . . . . . 103 I N . 15684 1 1144 . 1 1 106 106 GLN H H 1 8.942 0.014 . . . . . . 104 Q HN . 15684 1 1145 . 1 1 106 106 GLN HA H 1 4.489 0.026 . . . . . . 104 Q HA . 15684 1 1146 . 1 1 106 106 GLN HB2 H 1 2.175 0.034 . . . . . . 104 Q HB# . 15684 1 1147 . 1 1 106 106 GLN HB3 H 1 2.175 0.034 . . . . . . 104 Q HB# . 15684 1 1148 . 1 1 106 106 GLN HG2 H 1 2.376 0.021 . . . . . . 104 Q HG1 . 15684 1 1149 . 1 1 106 106 GLN HG3 H 1 2.484 0.023 . . . . . . 104 Q HG2 . 15684 1 1150 . 1 1 106 106 GLN C C 13 176.710 0.000 . . . . . . 104 Q CO . 15684 1 1151 . 1 1 106 106 GLN CA C 13 57.626 0.036 . . . . . . 104 Q CA . 15684 1 1152 . 1 1 106 106 GLN CB C 13 30.518 0.041 . . . . . . 104 Q CB . 15684 1 1153 . 1 1 106 106 GLN CG C 13 35.822 0.148 . . . . . . 104 Q CG . 15684 1 1154 . 1 1 106 106 GLN N N 15 125.349 0.081 . . . . . . 104 Q N . 15684 1 1155 . 1 1 107 107 SER H H 1 7.898 0.004 . . . . . . 105 S HN . 15684 1 1156 . 1 1 107 107 SER HA H 1 4.558 0.013 . . . . . . 105 S HA . 15684 1 1157 . 1 1 107 107 SER HB2 H 1 3.968 0.015 . . . . . . 105 S HB# . 15684 1 1158 . 1 1 107 107 SER HB3 H 1 3.968 0.015 . . . . . . 105 S HB# . 15684 1 1159 . 1 1 107 107 SER C C 13 172.121 0.000 . . . . . . 105 S CO . 15684 1 1160 . 1 1 107 107 SER CA C 13 58.115 0.029 . . . . . . 105 S CA . 15684 1 1161 . 1 1 107 107 SER CB C 13 64.696 0.090 . . . . . . 105 S CB . 15684 1 1162 . 1 1 107 107 SER N N 15 112.288 0.028 . . . . . . 105 S N . 15684 1 1163 . 1 1 108 108 TYR H H 1 8.947 0.016 . . . . . . 106 Y HN . 15684 1 1164 . 1 1 108 108 TYR HA H 1 5.250 0.067 . . . . . . 106 Y HA . 15684 1 1165 . 1 1 108 108 TYR HB2 H 1 2.754 0.029 . . . . . . 106 Y HB1 . 15684 1 1166 . 1 1 108 108 TYR HB3 H 1 3.209 0.018 . . . . . . 106 Y HB2 . 15684 1 1167 . 1 1 108 108 TYR HD1 H 1 6.843 0.016 . . . . . . 106 Y HD# . 15684 1 1168 . 1 1 108 108 TYR HD2 H 1 6.843 0.016 . . . . . . 106 Y HD# . 15684 1 1169 . 1 1 108 108 TYR HE1 H 1 7.189 0.007 . . . . . . 106 Y HE# . 15684 1 1170 . 1 1 108 108 TYR HE2 H 1 7.189 0.007 . . . . . . 106 Y HE# . 15684 1 1171 . 1 1 108 108 TYR C C 13 173.390 0.000 . . . . . . 106 Y CO . 15684 1 1172 . 1 1 108 108 TYR CA C 13 58.380 0.035 . . . . . . 106 Y CA . 15684 1 1173 . 1 1 108 108 TYR CB C 13 42.064 0.004 . . . . . . 106 Y CB . 15684 1 1174 . 1 1 108 108 TYR N N 15 125.485 0.134 . . . . . . 106 Y N . 15684 1 1175 . 1 1 109 109 ASP H H 1 9.032 0.010 . . . . . . 107 D HN . 15684 1 1176 . 1 1 109 109 ASP HA H 1 5.542 0.015 . . . . . . 107 D HA . 15684 1 1177 . 1 1 109 109 ASP HB2 H 1 2.720 0.002 . . . . . . 107 D HB# . 15684 1 1178 . 1 1 109 109 ASP HB3 H 1 2.720 0.002 . . . . . . 107 D HB# . 15684 1 1179 . 1 1 109 109 ASP C C 13 175.132 0.000 . . . . . . 107 D CO . 15684 1 1180 . 1 1 109 109 ASP CA C 13 53.856 0.013 . . . . . . 107 D CA . 15684 1 1181 . 1 1 109 109 ASP CB C 13 46.516 0.036 . . . . . . 107 D CB . 15684 1 1182 . 1 1 109 109 ASP N N 15 127.128 0.043 . . . . . . 107 D N . 15684 1 1183 . 1 1 110 110 VAL H H 1 8.440 0.010 . . . . . . 108 V HN . 15684 1 1184 . 1 1 110 110 VAL HA H 1 4.675 0.035 . . . . . . 108 V HA . 15684 1 1185 . 1 1 110 110 VAL HB H 1 1.445 0.017 . . . . . . 108 V HB . 15684 1 1186 . 1 1 110 110 VAL HG11 H 1 0.210 0.007 . . . . . . 108 V HG11 . 15684 1 1187 . 1 1 110 110 VAL HG12 H 1 0.210 0.007 . . . . . . 108 V HG11 . 15684 1 1188 . 1 1 110 110 VAL HG13 H 1 0.210 0.007 . . . . . . 108 V HG11 . 15684 1 1189 . 1 1 110 110 VAL C C 13 175.525 0.000 . . . . . . 108 V CO . 15684 1 1190 . 1 1 110 110 VAL CA C 13 60.118 0.043 . . . . . . 108 V CA . 15684 1 1191 . 1 1 110 110 VAL CB C 13 35.815 0.084 . . . . . . 108 V CB . 15684 1 1192 . 1 1 110 110 VAL CG1 C 13 19.878 0.067 . . . . . . 108 V CG1 . 15684 1 1193 . 1 1 110 110 VAL N N 15 119.669 0.100 . . . . . . 108 V N . 15684 1 1194 . 1 1 111 111 GLN H H 1 9.686 0.007 . . . . . . 109 Q HN . 15684 1 1195 . 1 1 111 111 GLN HA H 1 5.179 0.014 . . . . . . 109 Q HA . 15684 1 1196 . 1 1 111 111 GLN HB2 H 1 1.814 0.017 . . . . . . 109 Q HB# . 15684 1 1197 . 1 1 111 111 GLN HB3 H 1 1.814 0.017 . . . . . . 109 Q HB# . 15684 1 1198 . 1 1 111 111 GLN HG2 H 1 2.037 0.015 . . . . . . 109 Q HG# . 15684 1 1199 . 1 1 111 111 GLN HG3 H 1 2.037 0.015 . . . . . . 109 Q HG# . 15684 1 1200 . 1 1 111 111 GLN C C 13 174.210 0.000 . . . . . . 109 Q CO . 15684 1 1201 . 1 1 111 111 GLN CA C 13 55.421 0.027 . . . . . . 109 Q CA . 15684 1 1202 . 1 1 111 111 GLN CB C 13 34.198 0.045 . . . . . . 109 Q CB . 15684 1 1203 . 1 1 111 111 GLN N N 15 126.549 0.058 . . . . . . 109 Q N . 15684 1 1204 . 1 1 112 112 VAL H H 1 8.599 0.007 . . . . . . 110 V HN . 15684 1 1205 . 1 1 112 112 VAL HA H 1 3.640 0.013 . . . . . . 110 V HA . 15684 1 1206 . 1 1 112 112 VAL HB H 1 1.511 0.009 . . . . . . 110 V HB . 15684 1 1207 . 1 1 112 112 VAL HG11 H 1 0.544 0.014 . . . . . . 110 V HG11 . 15684 1 1208 . 1 1 112 112 VAL HG12 H 1 0.544 0.014 . . . . . . 110 V HG11 . 15684 1 1209 . 1 1 112 112 VAL HG13 H 1 0.544 0.014 . . . . . . 110 V HG11 . 15684 1 1210 . 1 1 112 112 VAL HG21 H 1 0.194 0.008 . . . . . . 110 V HG21 . 15684 1 1211 . 1 1 112 112 VAL HG22 H 1 0.194 0.008 . . . . . . 110 V HG21 . 15684 1 1212 . 1 1 112 112 VAL HG23 H 1 0.194 0.008 . . . . . . 110 V HG21 . 15684 1 1213 . 1 1 112 112 VAL C C 13 173.019 0.000 . . . . . . 110 V CO . 15684 1 1214 . 1 1 112 112 VAL CA C 13 64.020 0.061 . . . . . . 110 V CA . 15684 1 1215 . 1 1 112 112 VAL CB C 13 30.412 0.092 . . . . . . 110 V CB . 15684 1 1216 . 1 1 112 112 VAL CG1 C 13 20.676 0.017 . . . . . . 110 V CG1 . 15684 1 1217 . 1 1 112 112 VAL CG2 C 13 19.590 0.020 . . . . . . 110 V CG2 . 15684 1 1218 . 1 1 112 112 VAL N N 15 127.864 0.030 . . . . . . 110 V N . 15684 1 1219 . 1 1 113 113 ALA H H 1 8.055 0.007 . . . . . . 111 A HN . 15684 1 1220 . 1 1 113 113 ALA HA H 1 4.597 0.013 . . . . . . 111 A HA . 15684 1 1221 . 1 1 113 113 ALA HB1 H 1 1.128 0.015 . . . . . . 111 A HB1 . 15684 1 1222 . 1 1 113 113 ALA HB2 H 1 1.128 0.015 . . . . . . 111 A HB1 . 15684 1 1223 . 1 1 113 113 ALA HB3 H 1 1.128 0.015 . . . . . . 111 A HB1 . 15684 1 1224 . 1 1 113 113 ALA C C 13 176.237 0.000 . . . . . . 111 A CO . 15684 1 1225 . 1 1 113 113 ALA CA C 13 53.482 0.014 . . . . . . 111 A CA . 15684 1 1226 . 1 1 113 113 ALA CB C 13 21.090 0.240 . . . . . . 111 A CB . 15684 1 1227 . 1 1 113 113 ALA N N 15 131.302 7.320 . . . . . . 111 A N . 15684 1 1228 . 1 1 114 114 ASP H H 1 6.915 0.006 . . . . . . 112 D HN . 15684 1 1229 . 1 1 114 114 ASP HA H 1 5.018 0.008 . . . . . . 112 D HA . 15684 1 1230 . 1 1 114 114 ASP HB2 H 1 2.343 0.018 . . . . . . 112 D HB1 . 15684 1 1231 . 1 1 114 114 ASP HB3 H 1 2.590 0.000 . . . . . . 112 D HB2 . 15684 1 1232 . 1 1 114 114 ASP C C 13 174.744 0.000 . . . . . . 112 D CO . 15684 1 1233 . 1 1 114 114 ASP CA C 13 53.412 0.033 . . . . . . 112 D CA . 15684 1 1234 . 1 1 114 114 ASP CB C 13 43.368 0.054 . . . . . . 112 D CB . 15684 1 1235 . 1 1 114 114 ASP N N 15 112.324 0.042 . . . . . . 112 D N . 15684 1 1236 . 1 1 115 115 THR H H 1 8.342 0.008 . . . . . . 113 T HN . 15684 1 1237 . 1 1 115 115 THR HA H 1 3.790 0.012 . . . . . . 113 T HA . 15684 1 1238 . 1 1 115 115 THR HB H 1 3.979 0.019 . . . . . . 113 T HB . 15684 1 1239 . 1 1 115 115 THR HG21 H 1 0.324 0.012 . . . . . . 113 T HG21 . 15684 1 1240 . 1 1 115 115 THR HG22 H 1 0.324 0.012 . . . . . . 113 T HG21 . 15684 1 1241 . 1 1 115 115 THR HG23 H 1 0.324 0.012 . . . . . . 113 T HG21 . 15684 1 1242 . 1 1 115 115 THR C C 13 169.552 0.000 . . . . . . 113 T CO . 15684 1 1243 . 1 1 115 115 THR CA C 13 60.116 0.055 . . . . . . 113 T CA . 15684 1 1244 . 1 1 115 115 THR CB C 13 68.791 0.164 . . . . . . 113 T CB . 15684 1 1245 . 1 1 115 115 THR CG2 C 13 17.350 0.029 . . . . . . 113 T CG2 . 15684 1 1246 . 1 1 115 115 THR N N 15 121.117 0.035 . . . . . . 113 T N . 15684 1 1247 . 1 1 116 116 ASP H H 1 6.871 0.010 . . . . . . 114 D HN . 15684 1 1248 . 1 1 116 116 ASP HA H 1 4.735 0.012 . . . . . . 114 D HA . 15684 1 1249 . 1 1 116 116 ASP HB2 H 1 2.667 0.055 . . . . . . 114 D HB1 . 15684 1 1250 . 1 1 116 116 ASP HB3 H 1 3.359 0.015 . . . . . . 114 D HB2 . 15684 1 1251 . 1 1 116 116 ASP C C 13 179.751 0.000 . . . . . . 114 D CO . 15684 1 1252 . 1 1 116 116 ASP CA C 13 52.778 0.174 . . . . . . 114 D CA . 15684 1 1253 . 1 1 116 116 ASP CB C 13 42.269 0.071 . . . . . . 114 D CB . 15684 1 1254 . 1 1 116 116 ASP N N 15 123.568 0.066 . . . . . . 114 D N . 15684 1 1255 . 1 1 117 117 TYR H H 1 8.911 0.011 . . . . . . 115 Y HN . 15684 1 1256 . 1 1 117 117 TYR HA H 1 3.773 0.003 . . . . . . 115 Y HA . 15684 1 1257 . 1 1 117 117 TYR HB2 H 1 3.578 0.023 . . . . . . 115 Y HB1 . 15684 1 1258 . 1 1 117 117 TYR HB3 H 1 2.829 0.000 . . . . . . 115 Y HB2 . 15684 1 1259 . 1 1 117 117 TYR HD1 H 1 6.327 0.009 . . . . . . 115 Y HD# . 15684 1 1260 . 1 1 117 117 TYR HD2 H 1 6.327 0.009 . . . . . . 115 Y HD# . 15684 1 1261 . 1 1 117 117 TYR HE1 H 1 6.861 0.002 . . . . . . 115 Y HE# . 15684 1 1262 . 1 1 117 117 TYR HE2 H 1 6.861 0.002 . . . . . . 115 Y HE# . 15684 1 1263 . 1 1 117 117 TYR C C 13 176.380 0.000 . . . . . . 115 Y CO . 15684 1 1264 . 1 1 117 117 TYR CA C 13 65.994 0.000 . . . . . . 115 Y CA . 15684 1 1265 . 1 1 117 117 TYR CB C 13 36.811 0.000 . . . . . . 115 Y CB . 15684 1 1266 . 1 1 117 117 TYR N N 15 116.080 0.039 . . . . . . 115 Y N . 15684 1 1267 . 1 1 118 118 ASP H H 1 9.298 0.004 . . . . . . 116 D HN . 15684 1 1268 . 1 1 118 118 ASP HA H 1 4.689 0.010 . . . . . . 116 D HA . 15684 1 1269 . 1 1 118 118 ASP HB2 H 1 2.594 0.023 . . . . . . 116 D HB1 . 15684 1 1270 . 1 1 118 118 ASP HB3 H 1 2.833 0.026 . . . . . . 116 D HB2 . 15684 1 1271 . 1 1 118 118 ASP C C 13 176.117 0.000 . . . . . . 116 D CO . 15684 1 1272 . 1 1 118 118 ASP CA C 13 54.556 0.048 . . . . . . 116 D CA . 15684 1 1273 . 1 1 118 118 ASP CB C 13 42.464 0.109 . . . . . . 116 D CB . 15684 1 1274 . 1 1 118 118 ASP N N 15 120.629 0.046 . . . . . . 116 D N . 15684 1 1275 . 1 1 119 119 GLN H H 1 8.886 0.010 . . . . . . 117 Q HN . 15684 1 1276 . 1 1 119 119 GLN HA H 1 4.838 0.016 . . . . . . 117 Q HA . 15684 1 1277 . 1 1 119 119 GLN HB2 H 1 2.562 0.006 . . . . . . 117 Q HB# . 15684 1 1278 . 1 1 119 119 GLN HB3 H 1 2.562 0.006 . . . . . . 117 Q HB# . 15684 1 1279 . 1 1 119 119 GLN HG2 H 1 2.591 0.016 . . . . . . 117 Q HG1 . 15684 1 1280 . 1 1 119 119 GLN HG3 H 1 2.313 0.014 . . . . . . 117 Q HG2 . 15684 1 1281 . 1 1 119 119 GLN C C 13 175.153 0.000 . . . . . . 117 Q CO . 15684 1 1282 . 1 1 119 119 GLN CA C 13 58.690 0.050 . . . . . . 117 Q CA . 15684 1 1283 . 1 1 119 119 GLN CB C 13 32.160 0.135 . . . . . . 117 Q CB . 15684 1 1284 . 1 1 119 119 GLN CG C 13 35.091 0.067 . . . . . . 117 Q CG . 15684 1 1285 . 1 1 119 119 GLN N N 15 120.515 0.043 . . . . . . 117 Q N . 15684 1 1286 . 1 1 120 120 PHE H H 1 10.043 0.008 . . . . . . 118 F HN . 15684 1 1287 . 1 1 120 120 PHE HA H 1 6.571 0.013 . . . . . . 118 F HA . 15684 1 1288 . 1 1 120 120 PHE HB2 H 1 3.368 0.029 . . . . . . 118 F HB# . 15684 1 1289 . 1 1 120 120 PHE HB3 H 1 3.368 0.029 . . . . . . 118 F HB# . 15684 1 1290 . 1 1 120 120 PHE HD1 H 1 7.033 0.027 . . . . . . 118 F HD# . 15684 1 1291 . 1 1 120 120 PHE HD2 H 1 7.033 0.027 . . . . . . 118 F HD# . 15684 1 1292 . 1 1 120 120 PHE C C 13 174.194 0.000 . . . . . . 118 F CO . 15684 1 1293 . 1 1 120 120 PHE CA C 13 56.411 0.008 . . . . . . 118 F CA . 15684 1 1294 . 1 1 120 120 PHE CB C 13 46.138 0.092 . . . . . . 118 F CB . 15684 1 1295 . 1 1 120 120 PHE N N 15 120.038 0.050 . . . . . . 118 F N . 15684 1 1296 . 1 1 121 121 ALA H H 1 8.961 0.010 . . . . . . 119 A HN . 15684 1 1297 . 1 1 121 121 ALA HA H 1 4.570 0.017 . . . . . . 119 A HA . 15684 1 1298 . 1 1 121 121 ALA HB1 H 1 0.768 0.014 . . . . . . 119 A HB1 . 15684 1 1299 . 1 1 121 121 ALA HB2 H 1 0.768 0.014 . . . . . . 119 A HB1 . 15684 1 1300 . 1 1 121 121 ALA HB3 H 1 0.768 0.014 . . . . . . 119 A HB1 . 15684 1 1301 . 1 1 121 121 ALA C C 13 175.020 0.000 . . . . . . 119 A CO . 15684 1 1302 . 1 1 121 121 ALA CA C 13 51.440 0.194 . . . . . . 119 A CA . 15684 1 1303 . 1 1 121 121 ALA CB C 13 23.063 0.212 . . . . . . 119 A CB . 15684 1 1304 . 1 1 121 121 ALA N N 15 121.638 0.027 . . . . . . 119 A N . 15684 1 1305 . 1 1 122 122 MET H H 1 9.392 0.007 . . . . . . 120 M HN . 15684 1 1306 . 1 1 122 122 MET HA H 1 5.714 0.011 . . . . . . 120 M HA . 15684 1 1307 . 1 1 122 122 MET HB2 H 1 2.163 0.004 . . . . . . 120 M HB1 . 15684 1 1308 . 1 1 122 122 MET HB3 H 1 1.971 0.017 . . . . . . 120 M HB2 . 15684 1 1309 . 1 1 122 122 MET HE1 H 1 1.759 0.003 . . . . . . 120 M HE1 . 15684 1 1310 . 1 1 122 122 MET HE2 H 1 1.759 0.003 . . . . . . 120 M HE1 . 15684 1 1311 . 1 1 122 122 MET HE3 H 1 1.759 0.003 . . . . . . 120 M HE1 . 15684 1 1312 . 1 1 122 122 MET HG2 H 1 2.831 0.013 . . . . . . 120 M HG2 . 15684 1 1313 . 1 1 122 122 MET C C 13 174.639 0.000 . . . . . . 120 M CO . 15684 1 1314 . 1 1 122 122 MET CA C 13 55.222 0.100 . . . . . . 120 M CA . 15684 1 1315 . 1 1 122 122 MET CB C 13 34.962 0.098 . . . . . . 120 M CB . 15684 1 1316 . 1 1 122 122 MET N N 15 119.722 0.080 . . . . . . 120 M N . 15684 1 1317 . 1 1 123 123 VAL H H 1 8.421 0.012 . . . . . . 121 V HN . 15684 1 1318 . 1 1 123 123 VAL HA H 1 4.434 0.024 . . . . . . 121 V HA . 15684 1 1319 . 1 1 123 123 VAL HB H 1 1.826 0.019 . . . . . . 121 V HB . 15684 1 1320 . 1 1 123 123 VAL HG11 H 1 0.253 0.019 . . . . . . 121 V HG11 . 15684 1 1321 . 1 1 123 123 VAL HG12 H 1 0.253 0.019 . . . . . . 121 V HG11 . 15684 1 1322 . 1 1 123 123 VAL HG13 H 1 0.253 0.019 . . . . . . 121 V HG11 . 15684 1 1323 . 1 1 123 123 VAL HG21 H 1 0.591 0.011 . . . . . . 121 V HG21 . 15684 1 1324 . 1 1 123 123 VAL HG22 H 1 0.591 0.011 . . . . . . 121 V HG21 . 15684 1 1325 . 1 1 123 123 VAL HG23 H 1 0.591 0.011 . . . . . . 121 V HG21 . 15684 1 1326 . 1 1 123 123 VAL C C 13 172.217 0.000 . . . . . . 121 V CO . 15684 1 1327 . 1 1 123 123 VAL CA C 13 61.605 0.060 . . . . . . 121 V CA . 15684 1 1328 . 1 1 123 123 VAL CB C 13 34.214 0.138 . . . . . . 121 V CB . 15684 1 1329 . 1 1 123 123 VAL CG1 C 13 22.889 0.031 . . . . . . 121 V CG1 . 15684 1 1330 . 1 1 123 123 VAL CG2 C 13 22.617 0.009 . . . . . . 121 V CG2 . 15684 1 1331 . 1 1 123 123 VAL N N 15 124.496 0.072 . . . . . . 121 V N . 15684 1 1332 . 1 1 124 124 PHE H H 1 9.264 0.011 . . . . . . 122 F HN . 15684 1 1333 . 1 1 124 124 PHE HA H 1 5.360 0.014 . . . . . . 122 F HA . 15684 1 1334 . 1 1 124 124 PHE HB2 H 1 3.103 0.072 . . . . . . 122 F HB1 . 15684 1 1335 . 1 1 124 124 PHE HB3 H 1 2.762 0.003 . . . . . . 122 F HB2 . 15684 1 1336 . 1 1 124 124 PHE HD1 H 1 6.944 0.024 . . . . . . 122 F HD# . 15684 1 1337 . 1 1 124 124 PHE HD2 H 1 6.944 0.024 . . . . . . 122 F HD# . 15684 1 1338 . 1 1 124 124 PHE C C 13 172.231 0.000 . . . . . . 122 F CO . 15684 1 1339 . 1 1 124 124 PHE CA C 13 56.887 0.004 . . . . . . 122 F CA . 15684 1 1340 . 1 1 124 124 PHE CB C 13 43.006 0.012 . . . . . . 122 F CB . 15684 1 1341 . 1 1 124 124 PHE N N 15 128.649 0.048 . . . . . . 122 F N . 15684 1 1342 . 1 1 125 125 PHE H H 1 9.031 0.007 . . . . . . 123 F HN . 15684 1 1343 . 1 1 125 125 PHE HA H 1 5.122 0.020 . . . . . . 123 F HA . 15684 1 1344 . 1 1 125 125 PHE HB2 H 1 2.694 0.035 . . . . . . 123 F HB# . 15684 1 1345 . 1 1 125 125 PHE HB3 H 1 2.694 0.035 . . . . . . 123 F HB# . 15684 1 1346 . 1 1 125 125 PHE HD1 H 1 7.159 0.007 . . . . . . 123 F HD# . 15684 1 1347 . 1 1 125 125 PHE HD2 H 1 7.159 0.007 . . . . . . 123 F HD# . 15684 1 1348 . 1 1 125 125 PHE HE1 H 1 7.455 0.014 . . . . . . 123 F HE# . 15684 1 1349 . 1 1 125 125 PHE HE2 H 1 7.455 0.014 . . . . . . 123 F HE# . 15684 1 1350 . 1 1 125 125 PHE C C 13 174.554 0.000 . . . . . . 123 F CO . 15684 1 1351 . 1 1 125 125 PHE CA C 13 55.816 0.045 . . . . . . 123 F CA . 15684 1 1352 . 1 1 125 125 PHE CB C 13 42.458 0.048 . . . . . . 123 F CB . 15684 1 1353 . 1 1 125 125 PHE N N 15 125.400 0.031 . . . . . . 123 F N . 15684 1 1354 . 1 1 126 126 GLN H H 1 8.877 0.007 . . . . . . 124 Q HN . 15684 1 1355 . 1 1 126 126 GLN HA H 1 5.112 0.032 . . . . . . 124 Q HA . 15684 1 1356 . 1 1 126 126 GLN HB2 H 1 2.046 0.012 . . . . . . 124 Q HB# . 15684 1 1357 . 1 1 126 126 GLN HB3 H 1 2.046 0.012 . . . . . . 124 Q HB# . 15684 1 1358 . 1 1 126 126 GLN HG2 H 1 2.410 0.014 . . . . . . 124 Q HG# . 15684 1 1359 . 1 1 126 126 GLN HG3 H 1 2.410 0.014 . . . . . . 124 Q HG# . 15684 1 1360 . 1 1 126 126 GLN C C 13 173.396 0.000 . . . . . . 124 Q CO . 15684 1 1361 . 1 1 126 126 GLN CA C 13 54.713 0.069 . . . . . . 124 Q CA . 15684 1 1362 . 1 1 126 126 GLN CB C 13 32.537 0.068 . . . . . . 124 Q CB . 15684 1 1363 . 1 1 126 126 GLN CG C 13 34.295 0.000 . . . . . . 124 Q CG . 15684 1 1364 . 1 1 126 126 GLN N N 15 119.656 0.019 . . . . . . 124 Q N . 15684 1 1365 . 1 1 127 127 LYS H H 1 8.959 0.014 . . . . . . 125 K HN . 15684 1 1366 . 1 1 127 127 LYS HA H 1 5.167 0.017 . . . . . . 125 K HA . 15684 1 1367 . 1 1 127 127 LYS HB2 H 1 1.882 0.033 . . . . . . 125 K HB# . 15684 1 1368 . 1 1 127 127 LYS HB3 H 1 1.882 0.033 . . . . . . 125 K HB# . 15684 1 1369 . 1 1 127 127 LYS HD2 H 1 1.898 0.023 . . . . . . 125 K HD# . 15684 1 1370 . 1 1 127 127 LYS HD3 H 1 1.898 0.023 . . . . . . 125 K HD# . 15684 1 1371 . 1 1 127 127 LYS HE2 H 1 3.012 0.000 . . . . . . 125 K HE# . 15684 1 1372 . 1 1 127 127 LYS HE3 H 1 3.012 0.000 . . . . . . 125 K HE# . 15684 1 1373 . 1 1 127 127 LYS HG2 H 1 1.363 0.012 . . . . . . 125 K HG# . 15684 1 1374 . 1 1 127 127 LYS HG3 H 1 1.363 0.012 . . . . . . 125 K HG# . 15684 1 1375 . 1 1 127 127 LYS C C 13 176.273 0.000 . . . . . . 125 K CO . 15684 1 1376 . 1 1 127 127 LYS CA C 13 54.640 0.046 . . . . . . 125 K CA . 15684 1 1377 . 1 1 127 127 LYS CB C 13 36.418 0.038 . . . . . . 125 K CB . 15684 1 1378 . 1 1 127 127 LYS N N 15 125.239 0.111 . . . . . . 125 K N . 15684 1 1379 . 1 1 128 128 THR H H 1 8.450 0.008 . . . . . . 126 T HN . 15684 1 1380 . 1 1 128 128 THR HA H 1 5.591 0.015 . . . . . . 126 T HA . 15684 1 1381 . 1 1 128 128 THR HB H 1 4.150 0.013 . . . . . . 126 T HB . 15684 1 1382 . 1 1 128 128 THR HG21 H 1 1.151 0.012 . . . . . . 126 T HG21 . 15684 1 1383 . 1 1 128 128 THR HG22 H 1 1.151 0.012 . . . . . . 126 T HG21 . 15684 1 1384 . 1 1 128 128 THR HG23 H 1 1.151 0.012 . . . . . . 126 T HG21 . 15684 1 1385 . 1 1 128 128 THR C C 13 174.277 0.000 . . . . . . 126 T CO . 15684 1 1386 . 1 1 128 128 THR CA C 13 61.343 0.054 . . . . . . 126 T CA . 15684 1 1387 . 1 1 128 128 THR CB C 13 69.616 0.061 . . . . . . 126 T CB . 15684 1 1388 . 1 1 128 128 THR CG2 C 13 20.845 0.042 . . . . . . 126 T CG2 . 15684 1 1389 . 1 1 128 128 THR N N 15 121.745 0.048 . . . . . . 126 T N . 15684 1 1390 . 1 1 129 129 SER H H 1 9.097 0.005 . . . . . . 127 S HN . 15684 1 1391 . 1 1 129 129 SER HA H 1 5.203 0.014 . . . . . . 127 S HA . 15684 1 1392 . 1 1 129 129 SER HB2 H 1 3.814 0.009 . . . . . . 127 S HB# . 15684 1 1393 . 1 1 129 129 SER HB3 H 1 3.814 0.009 . . . . . . 127 S HB# . 15684 1 1394 . 1 1 129 129 SER C C 13 174.712 0.000 . . . . . . 127 S CO . 15684 1 1395 . 1 1 129 129 SER CA C 13 57.177 0.118 . . . . . . 127 S CA . 15684 1 1396 . 1 1 129 129 SER CB C 13 65.132 0.029 . . . . . . 127 S CB . 15684 1 1397 . 1 1 129 129 SER N N 15 121.176 0.043 . . . . . . 127 S N . 15684 1 1398 . 1 1 130 130 GLU H H 1 9.406 0.007 . . . . . . 128 E HN . 15684 1 1399 . 1 1 130 130 GLU HA H 1 3.959 0.007 . . . . . . 128 E HA . 15684 1 1400 . 1 1 130 130 GLU HB2 H 1 2.243 0.010 . . . . . . 128 E HB# . 15684 1 1401 . 1 1 130 130 GLU HB3 H 1 2.243 0.010 . . . . . . 128 E HB# . 15684 1 1402 . 1 1 130 130 GLU HG2 H 1 2.299 0.043 . . . . . . 128 E HG1 . 15684 1 1403 . 1 1 130 130 GLU HG3 H 1 2.267 0.023 . . . . . . 128 E HG2 . 15684 1 1404 . 1 1 130 130 GLU C C 13 175.696 0.000 . . . . . . 128 E CO . 15684 1 1405 . 1 1 130 130 GLU CA C 13 57.599 0.084 . . . . . . 128 E CA . 15684 1 1406 . 1 1 130 130 GLU CB C 13 27.966 0.054 . . . . . . 128 E CB . 15684 1 1407 . 1 1 130 130 GLU CG C 13 36.964 0.041 . . . . . . 128 E CG . 15684 1 1408 . 1 1 130 130 GLU N N 15 127.515 0.064 . . . . . . 128 E N . 15684 1 1409 . 1 1 131 131 ASN H H 1 9.278 0.008 . . . . . . 129 N HN . 15684 1 1410 . 1 1 131 131 ASN HA H 1 4.124 0.015 . . . . . . 129 N HA . 15684 1 1411 . 1 1 131 131 ASN HB2 H 1 3.059 0.007 . . . . . . 129 N HB# . 15684 1 1412 . 1 1 131 131 ASN HB3 H 1 3.059 0.007 . . . . . . 129 N HB# . 15684 1 1413 . 1 1 131 131 ASN HD21 H 1 7.567 0.003 . . . . . . 129 N HD21 . 15684 1 1414 . 1 1 131 131 ASN HD22 H 1 6.936 0.003 . . . . . . 129 N HD22 . 15684 1 1415 . 1 1 131 131 ASN C C 13 173.982 0.000 . . . . . . 129 N CO . 15684 1 1416 . 1 1 131 131 ASN CA C 13 54.907 0.040 . . . . . . 129 N CA . 15684 1 1417 . 1 1 131 131 ASN CB C 13 37.695 0.147 . . . . . . 129 N CB . 15684 1 1418 . 1 1 131 131 ASN N N 15 109.571 0.033 . . . . . . 129 N N . 15684 1 1419 . 1 1 131 131 ASN ND2 N 15 113.904 0.013 . . . . . . 129 N ND2 . 15684 1 1420 . 1 1 132 132 LYS H H 1 8.029 0.007 . . . . . . 130 K HN . 15684 1 1421 . 1 1 132 132 LYS HA H 1 4.500 0.014 . . . . . . 130 K HA . 15684 1 1422 . 1 1 132 132 LYS HB2 H 1 1.830 0.014 . . . . . . 130 K HB1 . 15684 1 1423 . 1 1 132 132 LYS HB3 H 1 1.280 0.092 . . . . . . 130 K HB2 . 15684 1 1424 . 1 1 132 132 LYS HD2 H 1 1.694 0.016 . . . . . . 130 K HD# . 15684 1 1425 . 1 1 132 132 LYS HD3 H 1 1.694 0.016 . . . . . . 130 K HD# . 15684 1 1426 . 1 1 132 132 LYS HE2 H 1 3.054 0.009 . . . . . . 130 K HE# . 15684 1 1427 . 1 1 132 132 LYS HE3 H 1 3.054 0.009 . . . . . . 130 K HE# . 15684 1 1428 . 1 1 132 132 LYS HG2 H 1 1.450 0.027 . . . . . . 130 K HG1 . 15684 1 1429 . 1 1 132 132 LYS HG3 H 1 1.312 0.073 . . . . . . 130 K HG2 . 15684 1 1430 . 1 1 132 132 LYS C C 13 174.042 0.000 . . . . . . 130 K CO . 15684 1 1431 . 1 1 132 132 LYS CA C 13 55.185 0.050 . . . . . . 130 K CA . 15684 1 1432 . 1 1 132 132 LYS CB C 13 35.002 0.078 . . . . . . 130 K CB . 15684 1 1433 . 1 1 132 132 LYS CD C 13 28.759 0.409 . . . . . . 130 K CD . 15684 1 1434 . 1 1 132 132 LYS CE C 13 42.192 0.052 . . . . . . 130 K CE . 15684 1 1435 . 1 1 132 132 LYS CG C 13 25.057 0.062 . . . . . . 130 K CG . 15684 1 1436 . 1 1 132 132 LYS N N 15 120.709 0.025 . . . . . . 130 K N . 15684 1 1437 . 1 1 133 133 GLN H H 1 8.069 0.006 . . . . . . 131 Q HN . 15684 1 1438 . 1 1 133 133 GLN HA H 1 4.915 0.009 . . . . . . 131 Q HA . 15684 1 1439 . 1 1 133 133 GLN HB2 H 1 2.147 0.008 . . . . . . 131 Q HB1 . 15684 1 1440 . 1 1 133 133 GLN HB3 H 1 1.915 0.014 . . . . . . 131 Q HB2 . 15684 1 1441 . 1 1 133 133 GLN HE21 H 1 7.355 0.002 . . . . . . 131 Q HE21 . 15684 1 1442 . 1 1 133 133 GLN HE22 H 1 6.767 0.004 . . . . . . 131 Q HE22 . 15684 1 1443 . 1 1 133 133 GLN HG2 H 1 2.312 0.007 . . . . . . 131 Q HG1 . 15684 1 1444 . 1 1 133 133 GLN HG3 H 1 2.156 0.008 . . . . . . 131 Q HG2 . 15684 1 1445 . 1 1 133 133 GLN C C 13 174.812 0.000 . . . . . . 131 Q CO . 15684 1 1446 . 1 1 133 133 GLN CA C 13 55.153 0.082 . . . . . . 131 Q CA . 15684 1 1447 . 1 1 133 133 GLN CB C 13 30.407 0.001 . . . . . . 131 Q CB . 15684 1 1448 . 1 1 133 133 GLN CG C 13 34.386 0.044 . . . . . . 131 Q CG . 15684 1 1449 . 1 1 133 133 GLN N N 15 119.655 0.046 . . . . . . 131 Q N . 15684 1 1450 . 1 1 133 133 GLN NE2 N 15 112.945 0.066 . . . . . . 131 Q NE2 . 15684 1 1451 . 1 1 134 134 TYR H H 1 9.248 0.008 . . . . . . 132 Y HN . 15684 1 1452 . 1 1 134 134 TYR HA H 1 5.228 0.013 . . . . . . 132 Y HA . 15684 1 1453 . 1 1 134 134 TYR HB2 H 1 3.062 0.013 . . . . . . 132 Y HB1 . 15684 1 1454 . 1 1 134 134 TYR HB3 H 1 2.832 0.015 . . . . . . 132 Y HB2 . 15684 1 1455 . 1 1 134 134 TYR HD1 H 1 7.026 0.011 . . . . . . 132 Y HD# . 15684 1 1456 . 1 1 134 134 TYR HD2 H 1 7.026 0.011 . . . . . . 132 Y HD# . 15684 1 1457 . 1 1 134 134 TYR HE1 H 1 6.796 0.010 . . . . . . 132 Y HE# . 15684 1 1458 . 1 1 134 134 TYR HE2 H 1 6.796 0.010 . . . . . . 132 Y HE# . 15684 1 1459 . 1 1 134 134 TYR C C 13 175.778 0.000 . . . . . . 132 Y CO . 15684 1 1460 . 1 1 134 134 TYR CA C 13 56.825 0.141 . . . . . . 132 Y CA . 15684 1 1461 . 1 1 134 134 TYR CB C 13 40.911 0.120 . . . . . . 132 Y CB . 15684 1 1462 . 1 1 134 134 TYR N N 15 125.433 0.052 . . . . . . 132 Y N . 15684 1 1463 . 1 1 135 135 PHE H H 1 8.811 0.012 . . . . . . 133 F HN . 15684 1 1464 . 1 1 135 135 PHE HA H 1 5.683 0.015 . . . . . . 133 F HA . 15684 1 1465 . 1 1 135 135 PHE HB2 H 1 2.897 0.006 . . . . . . 133 F HB# . 15684 1 1466 . 1 1 135 135 PHE HB3 H 1 2.897 0.006 . . . . . . 133 F HB# . 15684 1 1467 . 1 1 135 135 PHE HD1 H 1 7.260 0.065 . . . . . . 133 F HD# . 15684 1 1468 . 1 1 135 135 PHE HD2 H 1 7.260 0.065 . . . . . . 133 F HD# . 15684 1 1469 . 1 1 135 135 PHE HE1 H 1 7.040 0.016 . . . . . . 133 F HE# . 15684 1 1470 . 1 1 135 135 PHE HE2 H 1 7.040 0.016 . . . . . . 133 F HE# . 15684 1 1471 . 1 1 135 135 PHE C C 13 173.099 0.000 . . . . . . 133 F CO . 15684 1 1472 . 1 1 135 135 PHE CA C 13 56.273 0.224 . . . . . . 133 F CA . 15684 1 1473 . 1 1 135 135 PHE CB C 13 42.533 0.053 . . . . . . 133 F CB . 15684 1 1474 . 1 1 135 135 PHE N N 15 118.786 0.055 . . . . . . 133 F N . 15684 1 1475 . 1 1 136 136 LYS H H 1 9.207 0.008 . . . . . . 134 K HN . 15684 1 1476 . 1 1 136 136 LYS HA H 1 5.420 0.021 . . . . . . 134 K HA . 15684 1 1477 . 1 1 136 136 LYS HB2 H 1 1.698 0.013 . . . . . . 134 K HB# . 15684 1 1478 . 1 1 136 136 LYS HB3 H 1 1.698 0.013 . . . . . . 134 K HB# . 15684 1 1479 . 1 1 136 136 LYS HD2 H 1 1.322 0.002 . . . . . . 134 K HD# . 15684 1 1480 . 1 1 136 136 LYS HD3 H 1 1.322 0.002 . . . . . . 134 K HD# . 15684 1 1481 . 1 1 136 136 LYS HE2 H 1 2.232 0.018 . . . . . . 134 K HE1 . 15684 1 1482 . 1 1 136 136 LYS HG2 H 1 0.627 0.026 . . . . . . 134 K HG# . 15684 1 1483 . 1 1 136 136 LYS HG3 H 1 0.627 0.026 . . . . . . 134 K HG# . 15684 1 1484 . 1 1 136 136 LYS C C 13 173.713 0.000 . . . . . . 134 K CO . 15684 1 1485 . 1 1 136 136 LYS CA C 13 54.358 0.160 . . . . . . 134 K CA . 15684 1 1486 . 1 1 136 136 LYS CB C 13 37.084 0.109 . . . . . . 134 K CB . 15684 1 1487 . 1 1 136 136 LYS CE C 13 41.287 0.000 . . . . . . 134 K CE . 15684 1 1488 . 1 1 136 136 LYS N N 15 120.666 0.032 . . . . . . 134 K N . 15684 1 1489 . 1 1 137 137 VAL H H 1 9.833 0.011 . . . . . . 135 V HN . 15684 1 1490 . 1 1 137 137 VAL HA H 1 5.723 0.013 . . . . . . 135 V HA . 15684 1 1491 . 1 1 137 137 VAL HB H 1 2.189 0.011 . . . . . . 135 V HB . 15684 1 1492 . 1 1 137 137 VAL HG11 H 1 1.048 0.017 . . . . . . 135 V HG11 . 15684 1 1493 . 1 1 137 137 VAL HG12 H 1 1.048 0.017 . . . . . . 135 V HG11 . 15684 1 1494 . 1 1 137 137 VAL HG13 H 1 1.048 0.017 . . . . . . 135 V HG11 . 15684 1 1495 . 1 1 137 137 VAL HG21 H 1 1.241 0.010 . . . . . . 135 V HG21 . 15684 1 1496 . 1 1 137 137 VAL HG22 H 1 1.241 0.010 . . . . . . 135 V HG21 . 15684 1 1497 . 1 1 137 137 VAL HG23 H 1 1.241 0.010 . . . . . . 135 V HG21 . 15684 1 1498 . 1 1 137 137 VAL C C 13 175.736 0.000 . . . . . . 135 V CO . 15684 1 1499 . 1 1 137 137 VAL CA C 13 59.372 0.081 . . . . . . 135 V CA . 15684 1 1500 . 1 1 137 137 VAL CB C 13 35.373 0.125 . . . . . . 135 V CB . 15684 1 1501 . 1 1 137 137 VAL CG1 C 13 21.435 0.072 . . . . . . 135 V CG1 . 15684 1 1502 . 1 1 137 137 VAL CG2 C 13 23.060 0.016 . . . . . . 135 V CG2 . 15684 1 1503 . 1 1 137 137 VAL N N 15 118.229 0.062 . . . . . . 135 V N . 15684 1 1504 . 1 1 138 138 THR H H 1 9.521 0.009 . . . . . . 136 T HN . 15684 1 1505 . 1 1 138 138 THR HA H 1 4.882 0.014 . . . . . . 136 T HA . 15684 1 1506 . 1 1 138 138 THR HB H 1 3.855 0.008 . . . . . . 136 T HB . 15684 1 1507 . 1 1 138 138 THR HG21 H 1 1.029 0.013 . . . . . . 136 T HG21 . 15684 1 1508 . 1 1 138 138 THR HG22 H 1 1.029 0.013 . . . . . . 136 T HG21 . 15684 1 1509 . 1 1 138 138 THR HG23 H 1 1.029 0.013 . . . . . . 136 T HG21 . 15684 1 1510 . 1 1 138 138 THR C C 13 172.857 0.000 . . . . . . 136 T CO . 15684 1 1511 . 1 1 138 138 THR CA C 13 60.356 0.033 . . . . . . 136 T CA . 15684 1 1512 . 1 1 138 138 THR CB C 13 70.951 0.146 . . . . . . 136 T CB . 15684 1 1513 . 1 1 138 138 THR CG2 C 13 22.368 0.067 . . . . . . 136 T CG2 . 15684 1 1514 . 1 1 138 138 THR N N 15 118.122 0.044 . . . . . . 136 T N . 15684 1 1515 . 1 1 139 139 LEU H H 1 8.257 0.007 . . . . . . 137 L HN . 15684 1 1516 . 1 1 139 139 LEU HA H 1 4.844 0.026 . . . . . . 137 L HA . 15684 1 1517 . 1 1 139 139 LEU HB2 H 1 -0.317 0.011 . . . . . . 137 L HB1 . 15684 1 1518 . 1 1 139 139 LEU HB3 H 1 1.012 0.011 . . . . . . 137 L HB2 . 15684 1 1519 . 1 1 139 139 LEU HD11 H 1 0.499 0.004 . . . . . . 137 L HD11 . 15684 1 1520 . 1 1 139 139 LEU HD12 H 1 0.499 0.004 . . . . . . 137 L HD11 . 15684 1 1521 . 1 1 139 139 LEU HD13 H 1 0.499 0.004 . . . . . . 137 L HD11 . 15684 1 1522 . 1 1 139 139 LEU HD21 H 1 0.940 0.003 . . . . . . 137 L HD21 . 15684 1 1523 . 1 1 139 139 LEU HD22 H 1 0.940 0.003 . . . . . . 137 L HD21 . 15684 1 1524 . 1 1 139 139 LEU HD23 H 1 0.940 0.003 . . . . . . 137 L HD21 . 15684 1 1525 . 1 1 139 139 LEU HG H 1 0.695 0.012 . . . . . . 137 L HG . 15684 1 1526 . 1 1 139 139 LEU C C 13 174.734 0.000 . . . . . . 137 L CO . 15684 1 1527 . 1 1 139 139 LEU CA C 13 52.968 0.084 . . . . . . 137 L CA . 15684 1 1528 . 1 1 139 139 LEU CB C 13 40.271 0.000 . . . . . . 137 L CB . 15684 1 1529 . 1 1 139 139 LEU CD2 C 13 22.553 0.010 . . . . . . 137 L CD2 . 15684 1 1530 . 1 1 139 139 LEU CG C 13 26.298 0.000 . . . . . . 137 L CG . 15684 1 1531 . 1 1 139 139 LEU N N 15 125.983 0.071 . . . . . . 137 L N . 15684 1 1532 . 1 1 140 140 TYR H H 1 9.632 0.006 . . . . . . 138 Y HN . 15684 1 1533 . 1 1 140 140 TYR HA H 1 6.080 0.017 . . . . . . 138 Y HA . 15684 1 1534 . 1 1 140 140 TYR HB2 H 1 2.459 0.024 . . . . . . 138 Y HB1 . 15684 1 1535 . 1 1 140 140 TYR HB3 H 1 3.242 0.016 . . . . . . 138 Y HB2 . 15684 1 1536 . 1 1 140 140 TYR HD1 H 1 6.247 0.042 . . . . . . 138 Y HD# . 15684 1 1537 . 1 1 140 140 TYR HD2 H 1 6.247 0.042 . . . . . . 138 Y HD# . 15684 1 1538 . 1 1 140 140 TYR HE1 H 1 6.095 0.027 . . . . . . 138 Y HE# . 15684 1 1539 . 1 1 140 140 TYR HE2 H 1 6.095 0.027 . . . . . . 138 Y HE# . 15684 1 1540 . 1 1 140 140 TYR C C 13 176.744 0.000 . . . . . . 138 Y CO . 15684 1 1541 . 1 1 140 140 TYR CA C 13 52.828 0.037 . . . . . . 138 Y CA . 15684 1 1542 . 1 1 140 140 TYR CB C 13 41.293 0.153 . . . . . . 138 Y CB . 15684 1 1543 . 1 1 140 140 TYR N N 15 127.504 0.058 . . . . . . 138 Y N . 15684 1 1544 . 1 1 141 141 GLY H H 1 10.051 0.045 . . . . . . 139 G HN . 15684 1 1545 . 1 1 141 141 GLY HA2 H 1 6.179 0.018 . . . . . . 139 G HA1 . 15684 1 1546 . 1 1 141 141 GLY HA3 H 1 4.133 0.023 . . . . . . 139 G HA2 . 15684 1 1547 . 1 1 141 141 GLY C C 13 175.449 0.000 . . . . . . 139 G CO . 15684 1 1548 . 1 1 141 141 GLY CA C 13 44.208 0.045 . . . . . . 139 G CA . 15684 1 1549 . 1 1 141 141 GLY N N 15 105.785 0.029 . . . . . . 139 G N . 15684 1 1550 . 1 1 142 142 ARG H H 1 8.788 0.009 . . . . . . 140 R HN . 15684 1 1551 . 1 1 142 142 ARG HA H 1 4.150 0.027 . . . . . . 140 R HA . 15684 1 1552 . 1 1 142 142 ARG HB2 H 1 1.984 0.014 . . . . . . 140 R HB# . 15684 1 1553 . 1 1 142 142 ARG HB3 H 1 1.984 0.014 . . . . . . 140 R HB# . 15684 1 1554 . 1 1 142 142 ARG C C 13 177.081 0.000 . . . . . . 140 R CO . 15684 1 1555 . 1 1 142 142 ARG CA C 13 56.003 0.039 . . . . . . 140 R CA . 15684 1 1556 . 1 1 142 142 ARG CB C 13 31.056 0.000 . . . . . . 140 R CB . 15684 1 1557 . 1 1 142 142 ARG N N 15 120.963 0.083 . . . . . . 140 R N . 15684 1 1558 . 1 1 143 143 THR H H 1 7.994 0.005 . . . . . . 141 T HN . 15684 1 1559 . 1 1 143 143 THR HA H 1 4.599 0.018 . . . . . . 141 T HA . 15684 1 1560 . 1 1 143 143 THR HB H 1 4.575 0.020 . . . . . . 141 T HB . 15684 1 1561 . 1 1 143 143 THR HG21 H 1 1.256 0.018 . . . . . . 141 T HG21 . 15684 1 1562 . 1 1 143 143 THR HG22 H 1 1.256 0.018 . . . . . . 141 T HG21 . 15684 1 1563 . 1 1 143 143 THR HG23 H 1 1.256 0.018 . . . . . . 141 T HG21 . 15684 1 1564 . 1 1 143 143 THR C C 13 172.795 0.000 . . . . . . 141 T CO . 15684 1 1565 . 1 1 143 143 THR CA C 13 59.210 0.048 . . . . . . 141 T CA . 15684 1 1566 . 1 1 143 143 THR CB C 13 70.815 0.043 . . . . . . 141 T CB . 15684 1 1567 . 1 1 143 143 THR CG2 C 13 21.376 0.000 . . . . . . 141 T CG2 . 15684 1 1568 . 1 1 143 143 THR N N 15 109.470 0.071 . . . . . . 141 T N . 15684 1 1569 . 1 1 144 144 LYS H H 1 7.942 0.006 . . . . . . 142 K HN . 15684 1 1570 . 1 1 144 144 LYS HA H 1 3.514 0.009 . . . . . . 142 K HA . 15684 1 1571 . 1 1 144 144 LYS HB2 H 1 2.093 0.011 . . . . . . 142 K HB# . 15684 1 1572 . 1 1 144 144 LYS HB3 H 1 2.093 0.011 . . . . . . 142 K HB# . 15684 1 1573 . 1 1 144 144 LYS HD2 H 1 0.389 0.006 . . . . . . 142 K HD# . 15684 1 1574 . 1 1 144 144 LYS HD3 H 1 0.389 0.006 . . . . . . 142 K HD# . 15684 1 1575 . 1 1 144 144 LYS HE2 H 1 2.512 0.013 . . . . . . 142 K HE# . 15684 1 1576 . 1 1 144 144 LYS HE3 H 1 2.512 0.013 . . . . . . 142 K HE# . 15684 1 1577 . 1 1 144 144 LYS HG2 H 1 0.030 0.003 . . . . . . 142 K HG# . 15684 1 1578 . 1 1 144 144 LYS HG3 H 1 0.030 0.003 . . . . . . 142 K HG# . 15684 1 1579 . 1 1 144 144 LYS C C 13 175.580 0.000 . . . . . . 142 K CO . 15684 1 1580 . 1 1 144 144 LYS CA C 13 57.604 0.018 . . . . . . 142 K CA . 15684 1 1581 . 1 1 144 144 LYS CB C 13 32.219 0.000 . . . . . . 142 K CB . 15684 1 1582 . 1 1 144 144 LYS CE C 13 42.573 0.051 . . . . . . 142 K CE . 15684 1 1583 . 1 1 144 144 LYS N N 15 115.667 0.043 . . . . . . 142 K N . 15684 1 1584 . 1 1 145 145 GLY H H 1 7.631 0.004 . . . . . . 143 G HN . 15684 1 1585 . 1 1 145 145 GLY HA2 H 1 4.314 0.013 . . . . . . 143 G HA1 . 15684 1 1586 . 1 1 145 145 GLY HA3 H 1 3.665 0.018 . . . . . . 143 G HA2 . 15684 1 1587 . 1 1 145 145 GLY C C 13 172.149 0.000 . . . . . . 143 G CO . 15684 1 1588 . 1 1 145 145 GLY CA C 13 44.269 0.057 . . . . . . 143 G CA . 15684 1 1589 . 1 1 145 145 GLY N N 15 106.638 5.974 . . . . . . 143 G N . 15684 1 1590 . 1 1 146 146 LEU H H 1 8.135 0.003 . . . . . . 144 L HN . 15684 1 1591 . 1 1 146 146 LEU HA H 1 4.889 0.012 . . . . . . 144 L HA . 15684 1 1592 . 1 1 146 146 LEU HB2 H 1 1.370 0.006 . . . . . . 144 L HB1 . 15684 1 1593 . 1 1 146 146 LEU HB3 H 1 1.690 0.016 . . . . . . 144 L HB2 . 15684 1 1594 . 1 1 146 146 LEU HD11 H 1 1.365 0.004 . . . . . . 144 L HD11 . 15684 1 1595 . 1 1 146 146 LEU HD12 H 1 1.365 0.004 . . . . . . 144 L HD11 . 15684 1 1596 . 1 1 146 146 LEU HD13 H 1 1.365 0.004 . . . . . . 144 L HD11 . 15684 1 1597 . 1 1 146 146 LEU HG H 1 1.020 0.022 . . . . . . 144 L HG . 15684 1 1598 . 1 1 146 146 LEU C C 13 175.800 0.000 . . . . . . 144 L CO . 15684 1 1599 . 1 1 146 146 LEU CA C 13 52.855 0.039 . . . . . . 144 L CA . 15684 1 1600 . 1 1 146 146 LEU CB C 13 49.127 0.073 . . . . . . 144 L CB . 15684 1 1601 . 1 1 146 146 LEU CD1 C 13 23.884 0.028 . . . . . . 144 L CD1 . 15684 1 1602 . 1 1 146 146 LEU CG C 13 26.572 0.107 . . . . . . 144 L CG . 15684 1 1603 . 1 1 146 146 LEU N N 15 119.842 0.017 . . . . . . 144 L N . 15684 1 1604 . 1 1 147 147 SER H H 1 8.198 0.009 . . . . . . 145 S HN . 15684 1 1605 . 1 1 147 147 SER HA H 1 4.299 0.015 . . . . . . 145 S HA . 15684 1 1606 . 1 1 147 147 SER HB2 H 1 4.091 0.020 . . . . . . 145 S HB# . 15684 1 1607 . 1 1 147 147 SER HB3 H 1 4.091 0.020 . . . . . . 145 S HB# . 15684 1 1608 . 1 1 147 147 SER C C 13 174.401 0.000 . . . . . . 145 S CO . 15684 1 1609 . 1 1 147 147 SER CA C 13 57.430 0.053 . . . . . . 145 S CA . 15684 1 1610 . 1 1 147 147 SER CB C 13 64.357 0.147 . . . . . . 145 S CB . 15684 1 1611 . 1 1 147 147 SER N N 15 116.046 0.049 . . . . . . 145 S N . 15684 1 1612 . 1 1 148 148 ASP H H 1 8.901 0.004 . . . . . . 146 D HN . 15684 1 1613 . 1 1 148 148 ASP HA H 1 4.259 0.010 . . . . . . 146 D HA . 15684 1 1614 . 1 1 148 148 ASP HB2 H 1 2.696 0.006 . . . . . . 146 D HB1 . 15684 1 1615 . 1 1 148 148 ASP HB3 H 1 2.581 0.016 . . . . . . 146 D HB2 . 15684 1 1616 . 1 1 148 148 ASP C C 13 178.620 0.000 . . . . . . 146 D CO . 15684 1 1617 . 1 1 148 148 ASP CA C 13 57.654 0.041 . . . . . . 146 D CA . 15684 1 1618 . 1 1 148 148 ASP CB C 13 39.773 0.040 . . . . . . 146 D CB . 15684 1 1619 . 1 1 148 148 ASP N N 15 121.906 0.055 . . . . . . 146 D N . 15684 1 1620 . 1 1 149 149 GLU H H 1 8.707 0.003 . . . . . . 147 E HN . 15684 1 1621 . 1 1 149 149 GLU HA H 1 4.038 0.041 . . . . . . 147 E HA . 15684 1 1622 . 1 1 149 149 GLU HB2 H 1 2.069 0.015 . . . . . . 147 E HB1 . 15684 1 1623 . 1 1 149 149 GLU HB3 H 1 1.899 0.008 . . . . . . 147 E HB2 . 15684 1 1624 . 1 1 149 149 GLU HG2 H 1 2.272 0.015 . . . . . . 147 E HG# . 15684 1 1625 . 1 1 149 149 GLU HG3 H 1 2.272 0.015 . . . . . . 147 E HG# . 15684 1 1626 . 1 1 149 149 GLU C C 13 179.335 0.000 . . . . . . 147 E CO . 15684 1 1627 . 1 1 149 149 GLU CA C 13 59.966 0.076 . . . . . . 147 E CA . 15684 1 1628 . 1 1 149 149 GLU CB C 13 29.238 0.104 . . . . . . 147 E CB . 15684 1 1629 . 1 1 149 149 GLU CG C 13 36.475 0.012 . . . . . . 147 E CG . 15684 1 1630 . 1 1 149 149 GLU N N 15 119.269 0.038 . . . . . . 147 E N . 15684 1 1631 . 1 1 150 150 LEU H H 1 7.612 0.006 . . . . . . 148 L HN . 15684 1 1632 . 1 1 150 150 LEU HA H 1 3.926 0.017 . . . . . . 148 L HA . 15684 1 1633 . 1 1 150 150 LEU HB2 H 1 1.919 0.020 . . . . . . 148 L HB# . 15684 1 1634 . 1 1 150 150 LEU HB3 H 1 1.919 0.020 . . . . . . 148 L HB# . 15684 1 1635 . 1 1 150 150 LEU HD11 H 1 0.064 0.007 . . . . . . 148 L HD11 . 15684 1 1636 . 1 1 150 150 LEU HD12 H 1 0.064 0.007 . . . . . . 148 L HD11 . 15684 1 1637 . 1 1 150 150 LEU HD13 H 1 0.064 0.007 . . . . . . 148 L HD11 . 15684 1 1638 . 1 1 150 150 LEU HD21 H 1 0.787 0.013 . . . . . . 148 L HD21 . 15684 1 1639 . 1 1 150 150 LEU HD22 H 1 0.787 0.013 . . . . . . 148 L HD21 . 15684 1 1640 . 1 1 150 150 LEU HD23 H 1 0.787 0.013 . . . . . . 148 L HD21 . 15684 1 1641 . 1 1 150 150 LEU HG H 1 1.404 0.009 . . . . . . 148 L HG . 15684 1 1642 . 1 1 150 150 LEU C C 13 179.372 0.000 . . . . . . 148 L CO . 15684 1 1643 . 1 1 150 150 LEU CA C 13 57.281 0.061 . . . . . . 148 L CA . 15684 1 1644 . 1 1 150 150 LEU CB C 13 42.296 0.110 . . . . . . 148 L CB . 15684 1 1645 . 1 1 150 150 LEU CD1 C 13 22.034 0.005 . . . . . . 148 L CD1 . 15684 1 1646 . 1 1 150 150 LEU CD2 C 13 26.100 0.047 . . . . . . 148 L CD2 . 15684 1 1647 . 1 1 150 150 LEU CG C 13 27.643 0.000 . . . . . . 148 L CG . 15684 1 1648 . 1 1 150 150 LEU N N 15 121.663 0.026 . . . . . . 148 L N . 15684 1 1649 . 1 1 151 151 LYS H H 1 7.951 0.014 . . . . . . 149 K HN . 15684 1 1650 . 1 1 151 151 LYS HA H 1 3.994 0.016 . . . . . . 149 K HA . 15684 1 1651 . 1 1 151 151 LYS HB2 H 1 1.900 0.002 . . . . . . 149 K HB# . 15684 1 1652 . 1 1 151 151 LYS HB3 H 1 1.900 0.002 . . . . . . 149 K HB# . 15684 1 1653 . 1 1 151 151 LYS HD2 H 1 1.761 0.002 . . . . . . 149 K HD# . 15684 1 1654 . 1 1 151 151 LYS HD3 H 1 1.761 0.002 . . . . . . 149 K HD# . 15684 1 1655 . 1 1 151 151 LYS HE2 H 1 2.502 0.017 . . . . . . 149 K HE# . 15684 1 1656 . 1 1 151 151 LYS HE3 H 1 2.502 0.017 . . . . . . 149 K HE# . 15684 1 1657 . 1 1 151 151 LYS HG2 H 1 0.960 0.014 . . . . . . 149 K HG# . 15684 1 1658 . 1 1 151 151 LYS HG3 H 1 0.960 0.014 . . . . . . 149 K HG# . 15684 1 1659 . 1 1 151 151 LYS C C 13 178.675 0.000 . . . . . . 149 K CO . 15684 1 1660 . 1 1 151 151 LYS CA C 13 61.559 0.053 . . . . . . 149 K CA . 15684 1 1661 . 1 1 151 151 LYS CB C 13 31.632 0.000 . . . . . . 149 K CB . 15684 1 1662 . 1 1 151 151 LYS CD C 13 29.359 0.000 . . . . . . 149 K CD . 15684 1 1663 . 1 1 151 151 LYS CE C 13 41.302 0.000 . . . . . . 149 K CE . 15684 1 1664 . 1 1 151 151 LYS N N 15 119.699 0.036 . . . . . . 149 K N . 15684 1 1665 . 1 1 152 152 GLU H H 1 8.442 0.006 . . . . . . 150 E HN . 15684 1 1666 . 1 1 152 152 GLU HA H 1 4.124 0.016 . . . . . . 150 E HA . 15684 1 1667 . 1 1 152 152 GLU HB2 H 1 2.122 0.014 . . . . . . 150 E HB# . 15684 1 1668 . 1 1 152 152 GLU HB3 H 1 2.122 0.014 . . . . . . 150 E HB# . 15684 1 1669 . 1 1 152 152 GLU HG2 H 1 2.378 0.020 . . . . . . 150 E HG# . 15684 1 1670 . 1 1 152 152 GLU HG3 H 1 2.378 0.020 . . . . . . 150 E HG# . 15684 1 1671 . 1 1 152 152 GLU C C 13 179.367 0.000 . . . . . . 150 E CO . 15684 1 1672 . 1 1 152 152 GLU CA C 13 59.334 0.035 . . . . . . 150 E CA . 15684 1 1673 . 1 1 152 152 GLU CB C 13 29.282 0.013 . . . . . . 150 E CB . 15684 1 1674 . 1 1 152 152 GLU CG C 13 36.171 0.037 . . . . . . 150 E CG . 15684 1 1675 . 1 1 152 152 GLU N N 15 118.885 0.028 . . . . . . 150 E N . 15684 1 1676 . 1 1 153 153 ARG H H 1 8.006 0.011 . . . . . . 151 R HN . 15684 1 1677 . 1 1 153 153 ARG HA H 1 4.110 0.014 . . . . . . 151 R HA . 15684 1 1678 . 1 1 153 153 ARG HB2 H 1 1.961 0.021 . . . . . . 151 R HB# . 15684 1 1679 . 1 1 153 153 ARG HB3 H 1 1.961 0.021 . . . . . . 151 R HB# . 15684 1 1680 . 1 1 153 153 ARG HD2 H 1 2.940 0.018 . . . . . . 151 R HD# . 15684 1 1681 . 1 1 153 153 ARG HD3 H 1 2.940 0.018 . . . . . . 151 R HD# . 15684 1 1682 . 1 1 153 153 ARG HG2 H 1 1.880 0.000 . . . . . . 151 R HG# . 15684 1 1683 . 1 1 153 153 ARG HG3 H 1 1.880 0.000 . . . . . . 151 R HG# . 15684 1 1684 . 1 1 153 153 ARG C C 13 179.328 0.000 . . . . . . 151 R CO . 15684 1 1685 . 1 1 153 153 ARG CA C 13 59.520 0.062 . . . . . . 151 R CA . 15684 1 1686 . 1 1 153 153 ARG CB C 13 30.400 0.063 . . . . . . 151 R CB . 15684 1 1687 . 1 1 153 153 ARG CD C 13 43.782 0.102 . . . . . . 151 R CD . 15684 1 1688 . 1 1 153 153 ARG CG C 13 27.614 0.000 . . . . . . 151 R CG . 15684 1 1689 . 1 1 153 153 ARG N N 15 121.956 0.045 . . . . . . 151 R N . 15684 1 1690 . 1 1 154 154 PHE H H 1 8.234 0.006 . . . . . . 152 F HN . 15684 1 1691 . 1 1 154 154 PHE HA H 1 4.806 0.024 . . . . . . 152 F HA . 15684 1 1692 . 1 1 154 154 PHE HB2 H 1 3.384 0.020 . . . . . . 152 F HB1 . 15684 1 1693 . 1 1 154 154 PHE HD1 H 1 7.440 0.025 . . . . . . 152 F HD# . 15684 1 1694 . 1 1 154 154 PHE HD2 H 1 7.440 0.025 . . . . . . 152 F HD# . 15684 1 1695 . 1 1 154 154 PHE C C 13 175.924 0.000 . . . . . . 152 F CO . 15684 1 1696 . 1 1 154 154 PHE CA C 13 60.558 0.054 . . . . . . 152 F CA . 15684 1 1697 . 1 1 154 154 PHE CB C 13 40.093 0.000 . . . . . . 152 F CB . 15684 1 1698 . 1 1 154 154 PHE N N 15 122.036 0.038 . . . . . . 152 F N . 15684 1 1699 . 1 1 155 155 VAL H H 1 8.529 0.009 . . . . . . 153 V HN . 15684 1 1700 . 1 1 155 155 VAL HA H 1 3.201 0.017 . . . . . . 153 V HA . 15684 1 1701 . 1 1 155 155 VAL HB H 1 2.331 0.015 . . . . . . 153 V HB . 15684 1 1702 . 1 1 155 155 VAL HG11 H 1 1.435 0.007 . . . . . . 153 V HG11 . 15684 1 1703 . 1 1 155 155 VAL HG12 H 1 1.435 0.007 . . . . . . 153 V HG11 . 15684 1 1704 . 1 1 155 155 VAL HG13 H 1 1.435 0.007 . . . . . . 153 V HG11 . 15684 1 1705 . 1 1 155 155 VAL HG21 H 1 0.983 0.007 . . . . . . 153 V HG21 . 15684 1 1706 . 1 1 155 155 VAL HG22 H 1 0.983 0.007 . . . . . . 153 V HG21 . 15684 1 1707 . 1 1 155 155 VAL HG23 H 1 0.983 0.007 . . . . . . 153 V HG21 . 15684 1 1708 . 1 1 155 155 VAL C C 13 177.929 0.000 . . . . . . 153 V CO . 15684 1 1709 . 1 1 155 155 VAL CA C 13 67.473 0.049 . . . . . . 153 V CA . 15684 1 1710 . 1 1 155 155 VAL CB C 13 31.599 0.073 . . . . . . 153 V CB . 15684 1 1711 . 1 1 155 155 VAL CG1 C 13 23.147 0.012 . . . . . . 153 V CG1 . 15684 1 1712 . 1 1 155 155 VAL CG2 C 13 21.157 0.101 . . . . . . 153 V CG2 . 15684 1 1713 . 1 1 155 155 VAL N N 15 121.932 0.068 . . . . . . 153 V N . 15684 1 1714 . 1 1 156 156 SER H H 1 8.449 0.006 . . . . . . 154 S HN . 15684 1 1715 . 1 1 156 156 SER HA H 1 4.091 0.030 . . . . . . 154 S HA . 15684 1 1716 . 1 1 156 156 SER HB2 H 1 4.042 0.014 . . . . . . 154 S HB# . 15684 1 1717 . 1 1 156 156 SER HB3 H 1 4.042 0.014 . . . . . . 154 S HB# . 15684 1 1718 . 1 1 156 156 SER C C 13 177.446 0.000 . . . . . . 154 S CO . 15684 1 1719 . 1 1 156 156 SER CA C 13 62.210 0.104 . . . . . . 154 S CA . 15684 1 1720 . 1 1 156 156 SER CB C 13 68.680 0.000 . . . . . . 154 S CB . 15684 1 1721 . 1 1 156 156 SER N N 15 113.778 0.032 . . . . . . 154 S N . 15684 1 1722 . 1 1 157 157 PHE H H 1 8.390 0.007 . . . . . . 155 F HN . 15684 1 1723 . 1 1 157 157 PHE HA H 1 4.617 0.012 . . . . . . 155 F HA . 15684 1 1724 . 1 1 157 157 PHE HB2 H 1 3.434 0.010 . . . . . . 155 F HB1 . 15684 1 1725 . 1 1 157 157 PHE HB3 H 1 3.357 0.036 . . . . . . 155 F HB2 . 15684 1 1726 . 1 1 157 157 PHE HD1 H 1 7.128 0.001 . . . . . . 155 F HD# . 15684 1 1727 . 1 1 157 157 PHE HD2 H 1 7.128 0.001 . . . . . . 155 F HD# . 15684 1 1728 . 1 1 157 157 PHE HE1 H 1 7.337 0.008 . . . . . . 155 F HE# . 15684 1 1729 . 1 1 157 157 PHE HE2 H 1 7.337 0.008 . . . . . . 155 F HE# . 15684 1 1730 . 1 1 157 157 PHE C C 13 178.502 0.000 . . . . . . 155 F CO . 15684 1 1731 . 1 1 157 157 PHE CA C 13 59.346 0.021 . . . . . . 155 F CA . 15684 1 1732 . 1 1 157 157 PHE CB C 13 38.928 0.065 . . . . . . 155 F CB . 15684 1 1733 . 1 1 157 157 PHE N N 15 123.935 0.051 . . . . . . 155 F N . 15684 1 1734 . 1 1 158 158 ALA H H 1 8.903 0.006 . . . . . . 156 A HN . 15684 1 1735 . 1 1 158 158 ALA HA H 1 3.443 0.010 . . . . . . 156 A HA . 15684 1 1736 . 1 1 158 158 ALA HB1 H 1 0.903 0.014 . . . . . . 156 A HB1 . 15684 1 1737 . 1 1 158 158 ALA HB2 H 1 0.903 0.014 . . . . . . 156 A HB1 . 15684 1 1738 . 1 1 158 158 ALA HB3 H 1 0.903 0.014 . . . . . . 156 A HB1 . 15684 1 1739 . 1 1 158 158 ALA C C 13 180.012 0.000 . . . . . . 156 A CO . 15684 1 1740 . 1 1 158 158 ALA CA C 13 55.816 0.031 . . . . . . 156 A CA . 15684 1 1741 . 1 1 158 158 ALA CB C 13 17.008 0.186 . . . . . . 156 A CB . 15684 1 1742 . 1 1 158 158 ALA N N 15 123.522 0.042 . . . . . . 156 A N . 15684 1 1743 . 1 1 159 159 LYS H H 1 8.433 0.010 . . . . . . 157 K HN . 15684 1 1744 . 1 1 159 159 LYS HA H 1 4.476 0.020 . . . . . . 157 K HA . 15684 1 1745 . 1 1 159 159 LYS HB2 H 1 1.834 0.017 . . . . . . 157 K HB# . 15684 1 1746 . 1 1 159 159 LYS HB3 H 1 1.834 0.017 . . . . . . 157 K HB# . 15684 1 1747 . 1 1 159 159 LYS HD2 H 1 1.586 0.016 . . . . . . 157 K HD# . 15684 1 1748 . 1 1 159 159 LYS HD3 H 1 1.586 0.016 . . . . . . 157 K HD# . 15684 1 1749 . 1 1 159 159 LYS HE2 H 1 2.685 0.010 . . . . . . 157 K HE# . 15684 1 1750 . 1 1 159 159 LYS HE3 H 1 2.685 0.010 . . . . . . 157 K HE# . 15684 1 1751 . 1 1 159 159 LYS HG2 H 1 1.308 0.011 . . . . . . 157 K HG# . 15684 1 1752 . 1 1 159 159 LYS HG3 H 1 1.308 0.011 . . . . . . 157 K HG# . 15684 1 1753 . 1 1 159 159 LYS C C 13 181.097 0.000 . . . . . . 157 K CO . 15684 1 1754 . 1 1 159 159 LYS CA C 13 59.274 0.106 . . . . . . 157 K CA . 15684 1 1755 . 1 1 159 159 LYS CB C 13 31.983 0.041 . . . . . . 157 K CB . 15684 1 1756 . 1 1 159 159 LYS CE C 13 42.266 0.000 . . . . . . 157 K CE . 15684 1 1757 . 1 1 159 159 LYS N N 15 116.807 0.059 . . . . . . 157 K N . 15684 1 1758 . 1 1 160 160 SER H H 1 8.215 0.012 . . . . . . 158 S HN . 15684 1 1759 . 1 1 160 160 SER HA H 1 4.344 0.013 . . . . . . 158 S HA . 15684 1 1760 . 1 1 160 160 SER HB2 H 1 4.134 0.117 . . . . . . 158 S HB# . 15684 1 1761 . 1 1 160 160 SER HB3 H 1 4.134 0.117 . . . . . . 158 S HB# . 15684 1 1762 . 1 1 160 160 SER C C 13 175.027 0.000 . . . . . . 158 S CO . 15684 1 1763 . 1 1 160 160 SER CA C 13 61.410 0.048 . . . . . . 158 S CA . 15684 1 1764 . 1 1 160 160 SER CB C 13 62.377 0.042 . . . . . . 158 S CB . 15684 1 1765 . 1 1 160 160 SER N N 15 120.230 0.123 . . . . . . 158 S N . 15684 1 1766 . 1 1 161 161 LEU H H 1 7.112 0.007 . . . . . . 159 L HN . 15684 1 1767 . 1 1 161 161 LEU HA H 1 4.330 0.006 . . . . . . 159 L HA . 15684 1 1768 . 1 1 161 161 LEU HB2 H 1 1.573 0.039 . . . . . . 159 L HB1 . 15684 1 1769 . 1 1 161 161 LEU HB3 H 1 1.856 0.009 . . . . . . 159 L HB2 . 15684 1 1770 . 1 1 161 161 LEU HD11 H 1 0.512 0.007 . . . . . . 159 L HD11 . 15684 1 1771 . 1 1 161 161 LEU HD12 H 1 0.512 0.007 . . . . . . 159 L HD11 . 15684 1 1772 . 1 1 161 161 LEU HD13 H 1 0.512 0.007 . . . . . . 159 L HD11 . 15684 1 1773 . 1 1 161 161 LEU HD21 H 1 0.571 0.015 . . . . . . 159 L HD21 . 15684 1 1774 . 1 1 161 161 LEU HD22 H 1 0.571 0.015 . . . . . . 159 L HD21 . 15684 1 1775 . 1 1 161 161 LEU HD23 H 1 0.571 0.015 . . . . . . 159 L HD21 . 15684 1 1776 . 1 1 161 161 LEU HG H 1 1.490 0.000 . . . . . . 159 L HG . 15684 1 1777 . 1 1 161 161 LEU C C 13 175.935 0.000 . . . . . . 159 L CO . 15684 1 1778 . 1 1 161 161 LEU CA C 13 54.253 0.029 . . . . . . 159 L CA . 15684 1 1779 . 1 1 161 161 LEU CB C 13 41.552 0.000 . . . . . . 159 L CB . 15684 1 1780 . 1 1 161 161 LEU CD1 C 13 21.807 0.008 . . . . . . 159 L CD1 . 15684 1 1781 . 1 1 161 161 LEU CD2 C 13 26.716 0.052 . . . . . . 159 L CD2 . 15684 1 1782 . 1 1 161 161 LEU N N 15 120.547 0.029 . . . . . . 159 L N . 15684 1 1783 . 1 1 162 162 GLY H H 1 7.749 0.006 . . . . . . 160 G HN . 15684 1 1784 . 1 1 162 162 GLY HA2 H 1 4.317 0.020 . . . . . . 160 G HA1 . 15684 1 1785 . 1 1 162 162 GLY HA3 H 1 3.677 0.017 . . . . . . 160 G HA2 . 15684 1 1786 . 1 1 162 162 GLY C C 13 173.780 0.000 . . . . . . 160 G CO . 15684 1 1787 . 1 1 162 162 GLY CA C 13 44.459 0.200 . . . . . . 160 G CA . 15684 1 1788 . 1 1 162 162 GLY N N 15 106.210 5.955 . . . . . . 160 G N . 15684 1 1789 . 1 1 163 163 LEU H H 1 6.974 0.012 . . . . . . 161 L HN . 15684 1 1790 . 1 1 163 163 LEU HA H 1 4.277 0.017 . . . . . . 161 L HA . 15684 1 1791 . 1 1 163 163 LEU HB2 H 1 1.470 0.027 . . . . . . 161 L HB1 . 15684 1 1792 . 1 1 163 163 LEU HB3 H 1 0.902 0.006 . . . . . . 161 L HB2 . 15684 1 1793 . 1 1 163 163 LEU HD11 H 1 0.594 0.036 . . . . . . 161 L HD11 . 15684 1 1794 . 1 1 163 163 LEU HD12 H 1 0.594 0.036 . . . . . . 161 L HD11 . 15684 1 1795 . 1 1 163 163 LEU HD13 H 1 0.594 0.036 . . . . . . 161 L HD11 . 15684 1 1796 . 1 1 163 163 LEU HD21 H 1 0.430 0.006 . . . . . . 161 L HD21 . 15684 1 1797 . 1 1 163 163 LEU HD22 H 1 0.430 0.006 . . . . . . 161 L HD21 . 15684 1 1798 . 1 1 163 163 LEU HD23 H 1 0.430 0.006 . . . . . . 161 L HD21 . 15684 1 1799 . 1 1 163 163 LEU HG H 1 1.379 0.004 . . . . . . 161 L HG . 15684 1 1800 . 1 1 163 163 LEU C C 13 172.818 0.000 . . . . . . 161 L CO . 15684 1 1801 . 1 1 163 163 LEU CA C 13 54.191 0.034 . . . . . . 161 L CA . 15684 1 1802 . 1 1 163 163 LEU CB C 13 41.356 0.014 . . . . . . 161 L CB . 15684 1 1803 . 1 1 163 163 LEU CD2 C 13 21.265 0.015 . . . . . . 161 L CD2 . 15684 1 1804 . 1 1 163 163 LEU N N 15 116.636 0.043 . . . . . . 161 L N . 15684 1 1805 . 1 1 164 164 LYS H H 1 8.408 0.008 . . . . . . 162 K HN . 15684 1 1806 . 1 1 164 164 LYS HA H 1 4.751 0.023 . . . . . . 162 K HA . 15684 1 1807 . 1 1 164 164 LYS HB2 H 1 1.810 0.016 . . . . . . 162 K HB# . 15684 1 1808 . 1 1 164 164 LYS HB3 H 1 1.810 0.016 . . . . . . 162 K HB# . 15684 1 1809 . 1 1 164 164 LYS HD2 H 1 1.744 0.040 . . . . . . 162 K HD# . 15684 1 1810 . 1 1 164 164 LYS HD3 H 1 1.744 0.040 . . . . . . 162 K HD# . 15684 1 1811 . 1 1 164 164 LYS HE2 H 1 3.050 0.014 . . . . . . 162 K HE# . 15684 1 1812 . 1 1 164 164 LYS HE3 H 1 3.050 0.014 . . . . . . 162 K HE# . 15684 1 1813 . 1 1 164 164 LYS HG2 H 1 1.603 0.007 . . . . . . 162 K HG1 . 15684 1 1814 . 1 1 164 164 LYS HG3 H 1 1.466 0.017 . . . . . . 162 K HG2 . 15684 1 1815 . 1 1 164 164 LYS C C 13 177.613 0.000 . . . . . . 162 K CO . 15684 1 1816 . 1 1 164 164 LYS CA C 13 53.444 0.042 . . . . . . 162 K CA . 15684 1 1817 . 1 1 164 164 LYS CB C 13 34.728 0.098 . . . . . . 162 K CB . 15684 1 1818 . 1 1 164 164 LYS CD C 13 28.445 0.182 . . . . . . 162 K CD . 15684 1 1819 . 1 1 164 164 LYS CE C 13 42.268 0.150 . . . . . . 162 K CE . 15684 1 1820 . 1 1 164 164 LYS CG C 13 25.263 0.078 . . . . . . 162 K CG . 15684 1 1821 . 1 1 164 164 LYS N N 15 118.108 0.057 . . . . . . 162 K N . 15684 1 1822 . 1 1 165 165 ASP H H 1 8.581 0.010 . . . . . . 163 D HN . 15684 1 1823 . 1 1 165 165 ASP HA H 1 4.258 0.008 . . . . . . 163 D HA . 15684 1 1824 . 1 1 165 165 ASP HB2 H 1 2.649 0.025 . . . . . . 163 D HB# . 15684 1 1825 . 1 1 165 165 ASP HB3 H 1 2.649 0.025 . . . . . . 163 D HB# . 15684 1 1826 . 1 1 165 165 ASP C C 13 177.719 0.000 . . . . . . 163 D CO . 15684 1 1827 . 1 1 165 165 ASP CA C 13 58.648 0.059 . . . . . . 163 D CA . 15684 1 1828 . 1 1 165 165 ASP CB C 13 41.130 0.093 . . . . . . 163 D CB . 15684 1 1829 . 1 1 165 165 ASP N N 15 119.166 0.060 . . . . . . 163 D N . 15684 1 1830 . 1 1 166 166 ASN H H 1 8.194 0.012 . . . . . . 164 N HN . 15684 1 1831 . 1 1 166 166 ASN HA H 1 4.557 0.009 . . . . . . 164 N HA . 15684 1 1832 . 1 1 166 166 ASN HB2 H 1 3.058 0.013 . . . . . . 164 N HB1 . 15684 1 1833 . 1 1 166 166 ASN HB3 H 1 2.846 0.010 . . . . . . 164 N HB2 . 15684 1 1834 . 1 1 166 166 ASN HD21 H 1 7.084 0.001 . . . . . . 164 N HD21 . 15684 1 1835 . 1 1 166 166 ASN HD22 H 1 7.850 0.016 . . . . . . 164 N HD22 . 15684 1 1836 . 1 1 166 166 ASN C C 13 174.103 0.000 . . . . . . 164 N CO . 15684 1 1837 . 1 1 166 166 ASN CA C 13 54.486 0.053 . . . . . . 164 N CA . 15684 1 1838 . 1 1 166 166 ASN CB C 13 37.659 0.119 . . . . . . 164 N CB . 15684 1 1839 . 1 1 166 166 ASN N N 15 111.145 0.018 . . . . . . 164 N N . 15684 1 1840 . 1 1 166 166 ASN ND2 N 15 113.702 0.029 . . . . . . 164 N ND2 . 15684 1 1841 . 1 1 167 167 ASN H H 1 8.184 0.006 . . . . . . 165 N HN . 15684 1 1842 . 1 1 167 167 ASN HA H 1 5.138 0.008 . . . . . . 165 N HA . 15684 1 1843 . 1 1 167 167 ASN HB2 H 1 2.635 0.006 . . . . . . 165 N HB# . 15684 1 1844 . 1 1 167 167 ASN HB3 H 1 2.635 0.006 . . . . . . 165 N HB# . 15684 1 1845 . 1 1 167 167 ASN C C 13 172.646 0.000 . . . . . . 165 N CO . 15684 1 1846 . 1 1 167 167 ASN CA C 13 53.419 0.032 . . . . . . 165 N CA . 15684 1 1847 . 1 1 167 167 ASN CB C 13 42.474 0.058 . . . . . . 165 N CB . 15684 1 1848 . 1 1 167 167 ASN N N 15 115.448 0.054 . . . . . . 165 N N . 15684 1 1849 . 1 1 168 168 ILE H H 1 7.101 0.007 . . . . . . 166 I HN . 15684 1 1850 . 1 1 168 168 ILE HA H 1 4.494 0.014 . . . . . . 166 I HA . 15684 1 1851 . 1 1 168 168 ILE HB H 1 1.805 0.008 . . . . . . 166 I HB . 15684 1 1852 . 1 1 168 168 ILE HD11 H 1 0.695 0.010 . . . . . . 166 I HD11 . 15684 1 1853 . 1 1 168 168 ILE HD12 H 1 0.695 0.010 . . . . . . 166 I HD11 . 15684 1 1854 . 1 1 168 168 ILE HD13 H 1 0.695 0.010 . . . . . . 166 I HD11 . 15684 1 1855 . 1 1 168 168 ILE HG12 H 1 1.641 0.015 . . . . . . 166 I HG11 . 15684 1 1856 . 1 1 168 168 ILE HG13 H 1 1.449 0.010 . . . . . . 166 I HG12 . 15684 1 1857 . 1 1 168 168 ILE HG21 H 1 0.644 0.009 . . . . . . 166 I HG21 . 15684 1 1858 . 1 1 168 168 ILE HG22 H 1 0.644 0.009 . . . . . . 166 I HG21 . 15684 1 1859 . 1 1 168 168 ILE HG23 H 1 0.644 0.009 . . . . . . 166 I HG21 . 15684 1 1860 . 1 1 168 168 ILE C C 13 174.625 0.000 . . . . . . 166 I CO . 15684 1 1861 . 1 1 168 168 ILE CA C 13 61.338 0.191 . . . . . . 166 I CA . 15684 1 1862 . 1 1 168 168 ILE CB C 13 40.550 0.155 . . . . . . 166 I CB . 15684 1 1863 . 1 1 168 168 ILE CD1 C 13 15.734 0.029 . . . . . . 166 I CD1 . 15684 1 1864 . 1 1 168 168 ILE CG2 C 13 17.801 0.019 . . . . . . 166 I CG2 . 15684 1 1865 . 1 1 168 168 ILE N N 15 118.474 0.041 . . . . . . 166 I N . 15684 1 1866 . 1 1 169 169 VAL H H 1 9.114 0.007 . . . . . . 167 V HN . 15684 1 1867 . 1 1 169 169 VAL HA H 1 4.881 0.014 . . . . . . 167 V HA . 15684 1 1868 . 1 1 169 169 VAL HB H 1 2.191 0.020 . . . . . . 167 V HB . 15684 1 1869 . 1 1 169 169 VAL HG11 H 1 0.820 0.009 . . . . . . 167 V HG11 . 15684 1 1870 . 1 1 169 169 VAL HG12 H 1 0.820 0.009 . . . . . . 167 V HG11 . 15684 1 1871 . 1 1 169 169 VAL HG13 H 1 0.820 0.009 . . . . . . 167 V HG11 . 15684 1 1872 . 1 1 169 169 VAL HG21 H 1 0.797 0.010 . . . . . . 167 V HG21 . 15684 1 1873 . 1 1 169 169 VAL HG22 H 1 0.797 0.010 . . . . . . 167 V HG21 . 15684 1 1874 . 1 1 169 169 VAL HG23 H 1 0.797 0.010 . . . . . . 167 V HG21 . 15684 1 1875 . 1 1 169 169 VAL C C 13 173.413 0.000 . . . . . . 167 V CO . 15684 1 1876 . 1 1 169 169 VAL CA C 13 59.393 0.040 . . . . . . 167 V CA . 15684 1 1877 . 1 1 169 169 VAL CB C 13 37.145 0.109 . . . . . . 167 V CB . 15684 1 1878 . 1 1 169 169 VAL CG1 C 13 22.591 0.050 . . . . . . 167 V CG1 . 15684 1 1879 . 1 1 169 169 VAL CG2 C 13 19.838 0.004 . . . . . . 167 V CG2 . 15684 1 1880 . 1 1 169 169 VAL N N 15 120.449 0.058 . . . . . . 167 V N . 15684 1 1881 . 1 1 170 170 PHE H H 1 8.980 0.004 . . . . . . 168 F HN . 15684 1 1882 . 1 1 170 170 PHE HA H 1 5.289 0.011 . . . . . . 168 F HA . 15684 1 1883 . 1 1 170 170 PHE HB2 H 1 2.962 0.024 . . . . . . 168 F HB# . 15684 1 1884 . 1 1 170 170 PHE HB3 H 1 2.962 0.024 . . . . . . 168 F HB# . 15684 1 1885 . 1 1 170 170 PHE HD1 H 1 7.511 0.005 . . . . . . 168 F HD# . 15684 1 1886 . 1 1 170 170 PHE HD2 H 1 7.511 0.005 . . . . . . 168 F HD# . 15684 1 1887 . 1 1 170 170 PHE HE1 H 1 7.235 0.008 . . . . . . 168 F HE# . 15684 1 1888 . 1 1 170 170 PHE HE2 H 1 7.235 0.008 . . . . . . 168 F HE# . 15684 1 1889 . 1 1 170 170 PHE C C 13 175.402 0.000 . . . . . . 168 F CO . 15684 1 1890 . 1 1 170 170 PHE CA C 13 57.633 0.068 . . . . . . 168 F CA . 15684 1 1891 . 1 1 170 170 PHE CB C 13 41.654 0.022 . . . . . . 168 F CB . 15684 1 1892 . 1 1 170 170 PHE N N 15 120.533 0.030 . . . . . . 168 F N . 15684 1 1893 . 1 1 171 171 SER H H 1 7.868 0.007 . . . . . . 169 S HN . 15684 1 1894 . 1 1 171 171 SER HA H 1 4.455 0.011 . . . . . . 169 S HA . 15684 1 1895 . 1 1 171 171 SER HB2 H 1 3.242 0.014 . . . . . . 169 S HB# . 15684 1 1896 . 1 1 171 171 SER HB3 H 1 3.242 0.014 . . . . . . 169 S HB# . 15684 1 1897 . 1 1 171 171 SER C C 13 175.782 0.000 . . . . . . 169 S CO . 15684 1 1898 . 1 1 171 171 SER CA C 13 56.367 0.054 . . . . . . 169 S CA . 15684 1 1899 . 1 1 171 171 SER CB C 13 65.046 0.162 . . . . . . 169 S CB . 15684 1 1900 . 1 1 171 171 SER N N 15 116.242 0.075 . . . . . . 169 S N . 15684 1 1901 . 1 1 172 172 VAL H H 1 8.706 0.007 . . . . . . 170 V HN . 15684 1 1902 . 1 1 172 172 VAL HA H 1 4.688 0.005 . . . . . . 170 V HA . 15684 1 1903 . 1 1 172 172 VAL HB H 1 2.031 0.011 . . . . . . 170 V HB . 15684 1 1904 . 1 1 172 172 VAL HG11 H 1 0.997 0.038 . . . . . . 170 V HG11 . 15684 1 1905 . 1 1 172 172 VAL HG12 H 1 0.997 0.038 . . . . . . 170 V HG11 . 15684 1 1906 . 1 1 172 172 VAL HG13 H 1 0.997 0.038 . . . . . . 170 V HG11 . 15684 1 1907 . 1 1 172 172 VAL HG21 H 1 1.042 0.033 . . . . . . 170 V HG21 . 15684 1 1908 . 1 1 172 172 VAL HG22 H 1 1.042 0.033 . . . . . . 170 V HG21 . 15684 1 1909 . 1 1 172 172 VAL HG23 H 1 1.042 0.033 . . . . . . 170 V HG21 . 15684 1 1910 . 1 1 172 172 VAL CA C 13 58.829 0.062 . . . . . . 170 V CA . 15684 1 1911 . 1 1 172 172 VAL CB C 13 33.412 0.079 . . . . . . 170 V CB . 15684 1 1912 . 1 1 172 172 VAL CG1 C 13 20.901 0.021 . . . . . . 170 V CG1 . 15684 1 1913 . 1 1 172 172 VAL CG2 C 13 20.882 0.009 . . . . . . 170 V CG2 . 15684 1 1914 . 1 1 172 172 VAL N N 15 120.556 0.060 . . . . . . 170 V N . 15684 1 1915 . 1 1 173 173 PRO HA H 1 4.584 0.005 . . . . . . 171 P HA . 15684 1 1916 . 1 1 173 173 PRO HB2 H 1 1.992 0.000 . . . . . . 171 P HB2 . 15684 1 1917 . 1 1 173 173 PRO HD2 H 1 3.997 0.000 . . . . . . 171 P HD1 . 15684 1 1918 . 1 1 173 173 PRO HD3 H 1 3.796 0.000 . . . . . . 171 P HD2 . 15684 1 1919 . 1 1 173 173 PRO HG2 H 1 2.055 0.003 . . . . . . 171 P HG2 . 15684 1 1920 . 1 1 173 173 PRO C C 13 174.493 0.000 . . . . . . 171 P CO . 15684 1 1921 . 1 1 173 173 PRO CA C 13 63.254 0.000 . . . . . . 171 P CA . 15684 1 1922 . 1 1 173 173 PRO CB C 13 32.778 0.000 . . . . . . 171 P CB . 15684 1 1923 . 1 1 174 174 THR H H 1 6.628 0.007 . . . . . . 172 T HN . 15684 1 1924 . 1 1 174 174 THR HA H 1 4.699 0.011 . . . . . . 172 T HA . 15684 1 1925 . 1 1 174 174 THR HB H 1 4.222 0.008 . . . . . . 172 T HB . 15684 1 1926 . 1 1 174 174 THR HG21 H 1 1.273 0.010 . . . . . . 172 T HG21 . 15684 1 1927 . 1 1 174 174 THR HG22 H 1 1.273 0.010 . . . . . . 172 T HG21 . 15684 1 1928 . 1 1 174 174 THR HG23 H 1 1.273 0.010 . . . . . . 172 T HG21 . 15684 1 1929 . 1 1 174 174 THR C C 13 171.518 0.000 . . . . . . 172 T CO . 15684 1 1930 . 1 1 174 174 THR CA C 13 59.173 0.056 . . . . . . 172 T CA . 15684 1 1931 . 1 1 174 174 THR CB C 13 69.639 0.108 . . . . . . 172 T CB . 15684 1 1932 . 1 1 174 174 THR CG2 C 13 19.996 0.012 . . . . . . 172 T CG2 . 15684 1 1933 . 1 1 174 174 THR N N 15 112.550 0.020 . . . . . . 172 T N . 15684 1 1934 . 1 1 175 175 ASP H H 1 8.357 0.006 . . . . . . 173 D HN . 15684 1 1935 . 1 1 175 175 ASP HA H 1 4.638 0.020 . . . . . . 173 D HA . 15684 1 1936 . 1 1 175 175 ASP HB2 H 1 2.628 0.012 . . . . . . 173 D HB1 . 15684 1 1937 . 1 1 175 175 ASP HB3 H 1 2.759 0.010 . . . . . . 173 D HB2 . 15684 1 1938 . 1 1 175 175 ASP C C 13 176.001 0.000 . . . . . . 173 D CO . 15684 1 1939 . 1 1 175 175 ASP CA C 13 53.646 0.041 . . . . . . 173 D CA . 15684 1 1940 . 1 1 175 175 ASP CB C 13 41.197 0.091 . . . . . . 173 D CB . 15684 1 1941 . 1 1 175 175 ASP N N 15 123.499 0.037 . . . . . . 173 D N . 15684 1 1942 . 1 1 176 176 GLN H H 1 8.608 0.004 . . . . . . 174 Q HN . 15684 1 1943 . 1 1 176 176 GLN HA H 1 4.221 0.007 . . . . . . 174 Q HA . 15684 1 1944 . 1 1 176 176 GLN HB2 H 1 2.004 0.017 . . . . . . 174 Q HB# . 15684 1 1945 . 1 1 176 176 GLN HB3 H 1 2.004 0.017 . . . . . . 174 Q HB# . 15684 1 1946 . 1 1 176 176 GLN HG2 H 1 2.615 0.007 . . . . . . 174 Q HG1 . 15684 1 1947 . 1 1 176 176 GLN HG3 H 1 2.442 0.011 . . . . . . 174 Q HG2 . 15684 1 1948 . 1 1 176 176 GLN C C 13 176.988 0.000 . . . . . . 174 Q CO . 15684 1 1949 . 1 1 176 176 GLN CA C 13 56.315 0.107 . . . . . . 174 Q CA . 15684 1 1950 . 1 1 176 176 GLN CB C 13 29.625 0.118 . . . . . . 174 Q CB . 15684 1 1951 . 1 1 176 176 GLN CG C 13 33.860 0.148 . . . . . . 174 Q CG . 15684 1 1952 . 1 1 176 176 GLN N N 15 125.840 0.067 . . . . . . 174 Q N . 15684 1 1953 . 1 1 177 177 CYS H H 1 9.086 0.010 . . . . . . 175 C HN . 15684 1 1954 . 1 1 177 177 CYS HA H 1 3.980 0.004 . . . . . . 175 C HA . 15684 1 1955 . 1 1 177 177 CYS HB2 H 1 2.595 0.018 . . . . . . 175 C HB# . 15684 1 1956 . 1 1 177 177 CYS HB3 H 1 2.595 0.018 . . . . . . 175 C HB# . 15684 1 1957 . 1 1 177 177 CYS CA C 13 60.824 0.043 . . . . . . 175 C CA . 15684 1 1958 . 1 1 177 177 CYS N N 15 116.629 0.047 . . . . . . 175 C N . 15684 1 1959 . 1 1 178 178 ILE HA H 1 3.914 0.009 . . . . . . 176 I HA . 15684 1 1960 . 1 1 178 178 ILE HB H 1 2.145 0.022 . . . . . . 176 I HB . 15684 1 1961 . 1 1 178 178 ILE HD11 H 1 0.931 0.014 . . . . . . 176 I HD11 . 15684 1 1962 . 1 1 178 178 ILE HD12 H 1 0.931 0.014 . . . . . . 176 I HD11 . 15684 1 1963 . 1 1 178 178 ILE HD13 H 1 0.931 0.014 . . . . . . 176 I HD11 . 15684 1 1964 . 1 1 178 178 ILE HG12 H 1 1.060 0.003 . . . . . . 176 I HG1# . 15684 1 1965 . 1 1 178 178 ILE HG13 H 1 1.060 0.003 . . . . . . 176 I HG1# . 15684 1 1966 . 1 1 178 178 ILE HG21 H 1 1.240 0.063 . . . . . . 176 I HG21 . 15684 1 1967 . 1 1 178 178 ILE HG22 H 1 1.240 0.063 . . . . . . 176 I HG21 . 15684 1 1968 . 1 1 178 178 ILE HG23 H 1 1.240 0.063 . . . . . . 176 I HG21 . 15684 1 1969 . 1 1 178 178 ILE C C 13 174.732 0.000 . . . . . . 176 I CO . 15684 1 1970 . 1 1 178 178 ILE CA C 13 64.313 0.000 . . . . . . 176 I CA . 15684 1 1971 . 1 1 178 178 ILE CB C 13 39.287 0.053 . . . . . . 176 I CB . 15684 1 1972 . 1 1 178 178 ILE CD1 C 13 15.401 0.021 . . . . . . 176 I CD1 . 15684 1 1973 . 1 1 178 178 ILE CG1 C 13 21.614 0.361 . . . . . . 176 I CG1 . 15684 1 1974 . 1 1 178 178 ILE CG2 C 13 17.787 0.012 . . . . . . 176 I CG2 . 15684 1 1975 . 1 1 179 179 ASP H H 1 8.365 0.073 . . . . . . 177 D HN . 15684 1 1976 . 1 1 179 179 ASP HA H 1 4.829 0.017 . . . . . . 177 D HA . 15684 1 1977 . 1 1 179 179 ASP HB2 H 1 2.737 0.027 . . . . . . 177 D HB# . 15684 1 1978 . 1 1 179 179 ASP HB3 H 1 2.737 0.027 . . . . . . 177 D HB# . 15684 1 1979 . 1 1 179 179 ASP C C 13 176.164 0.000 . . . . . . 177 D CO . 15684 1 1980 . 1 1 179 179 ASP CA C 13 55.043 0.100 . . . . . . 177 D CA . 15684 1 1981 . 1 1 179 179 ASP CB C 13 41.307 0.059 . . . . . . 177 D CB . 15684 1 1982 . 1 1 179 179 ASP N N 15 121.567 0.230 . . . . . . 177 D N . 15684 1 1983 . 1 1 180 180 ASN H H 1 7.904 0.005 . . . . . . 178 N HN . 15684 1 1984 . 1 1 180 180 ASN HA H 1 4.587 0.012 . . . . . . 178 N HA . 15684 1 1985 . 1 1 180 180 ASN HB2 H 1 2.854 0.045 . . . . . . 178 N HB# . 15684 1 1986 . 1 1 180 180 ASN HB3 H 1 2.854 0.045 . . . . . . 178 N HB# . 15684 1 1987 . 1 1 180 180 ASN C C 13 173.398 0.000 . . . . . . 178 N CO . 15684 1 1988 . 1 1 180 180 ASN CA C 13 53.630 0.046 . . . . . . 178 N CA . 15684 1 1989 . 1 1 180 180 ASN CB C 13 39.309 0.088 . . . . . . 178 N CB . 15684 1 1990 . 1 1 180 180 ASN N N 15 118.137 0.048 . . . . . . 178 N N . 15684 1 stop_ save_