data_17289 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17289 _Entry.Title ; NMR structure of calcium-loaded STIM2 EF-SAM. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-09 _Entry.Accession_date 2010-11-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structural ensemble of the calcium sensing region of stromal interaction molecule-2 consisting of the EF-hand together with the SAM domains (residues 62-205).' _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 Le Zheng . . . 17289 2 Peter Stathopulos . B. . 17289 3 Mitsuhiko Ikura . . . 17289 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17289 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 17289 NMR . 17289 'SAM domain' . 17289 'stromal interaction molecule' . 17289 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17289 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 17289 '15N chemical shifts' 141 17289 '1H chemical shifts' 957 17289 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-01-27 2010-11-09 update BMRB 'update entry citation' 17289 1 . . 2011-01-18 2010-11-09 original author 'original release' 17289 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5Y 'BMRB Entry Tracking System' 17289 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17289 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21217057 _Citation.Full_citation . _Citation.Title 'Auto-inhibitory role of the EF-SAM domain of STIM proteins in store-operated calcium entry.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 4 _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 1337 _Citation.Page_last 1342 _Citation.Year 2011 _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 Le Zheng . . . 17289 1 2 Peter Stathopulos . B. . 17289 1 3 Rainer Schindl . . . 17289 1 4 Guang-Yao Li . . . 17289 1 5 Christoph Romanin . . . 17289 1 6 Mitsuhiko Ikura . . . 17289 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17289 _Assembly.ID 1 _Assembly.Name Stromal_Interaction_Molecule_2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 Stromal_Interaction_Molecule_2 1 $Stromal_Interaction_Molecule_2 A . yes native no no . . . 17289 1 2 'CALCIUM ION' 2 $CA B . no native no no . . . 17289 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Stromal_Interaction_Molecule_2 _Entity.Sf_category entity _Entity.Sf_framecode Stromal_Interaction_Molecule_2 _Entity.Entry_ID 17289 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Stromal_Interaction_Molecule_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASTEEDRFSLEALQTI HKQMDDDKDGGIEVEESDEF IREDMKYKDATNKHSHLHRE DKHITIEDLWKRWKTSEVHN WTLEDTLQWLIEFVELPQYE KNFRDNNVKGTTLPRIAVHE PSFMISQLKISDRSHRQKLQ LKALDVVLFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues -5, -4, -3, -2, -1 and 0 are remnants of the pET vector.' _Entity.Polymer_author_seq_details 'Residues 1 to 144 are equivalent residues 62 to 205 of the STIM2 gene. Residue 145 is Calcium ion.' _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L5Y . "Nmr Structure Of Calcium-Loaded Stim2 Ef-Sam" . . . . . 100.00 150 100.00 100.00 1.44e-104 . . . . 17289 1 2 no DBJ BAA96006 . "KIAA1482 protein [Homo sapiens]" . . . . . 96.00 746 100.00 100.00 8.33e-96 . . . . 17289 1 3 no DBJ BAD32461 . "mKIAA1482 protein [Mus musculus]" . . . . . 96.00 815 97.22 99.31 9.35e-93 . . . . 17289 1 4 no DBJ BAG10078 . "stromal interaction molecule 2 precursor [synthetic construct]" . . . . . 96.00 698 100.00 100.00 7.97e-96 . . . . 17289 1 5 no DBJ BAG53377 . "unnamed protein product [Homo sapiens]" . . . . . 96.00 826 100.00 100.00 2.88e-95 . . . . 17289 1 6 no EMBL CAB66512 . "hypothetical protein [Homo sapiens]" . . . . . 96.00 769 100.00 100.00 2.26e-95 . . . . 17289 1 7 no EMBL CAN36430 . "stromal interaction molecule 2 [Mus musculus]" . . . . . 96.00 746 97.22 99.31 8.29e-93 . . . . 17289 1 8 no GB AAI36450 . "STIM2 protein [Homo sapiens]" . . . . . 96.00 841 100.00 100.00 3.06e-95 . . . . 17289 1 9 no GB AAI37882 . "Stim2 protein [Mus musculus]" . . . . . 96.00 812 97.22 99.31 9.54e-93 . . . . 17289 1 10 no GB AAI45002 . "Stim2 protein [Mus musculus]" . . . . . 96.00 812 97.22 99.31 1.09e-92 . . . . 17289 1 11 no GB AAI46662 . "STIM2 protein [Homo sapiens]" . . . . . 96.00 686 100.00 100.00 4.21e-96 . . . . 17289 1 12 no GB AAI52555 . "STIM2 protein [Homo sapiens]" . . . . . 96.00 686 100.00 100.00 4.21e-96 . . . . 17289 1 13 no REF NP_001074572 . "stromal interaction molecule 2 precursor [Mus musculus]" . . . . . 96.00 746 97.22 99.31 8.29e-93 . . . . 17289 1 14 no REF NP_001099220 . "stromal interaction molecule 2 precursor [Rattus norvegicus]" . . . . . 96.00 743 97.22 99.31 7.81e-93 . . . . 17289 1 15 no REF NP_001162588 . "stromal interaction molecule 2 isoform 3 precursor [Homo sapiens]" . . . . . 96.00 599 100.00 100.00 1.22e-96 . . . . 17289 1 16 no REF NP_001162589 . "stromal interaction molecule 2 isoform 1 precursor [Homo sapiens]" . . . . . 96.00 754 100.00 100.00 7.86e-96 . . . . 17289 1 17 no REF NP_065911 . "stromal interaction molecule 2 isoform 2 precursor [Homo sapiens]" . . . . . 96.00 746 100.00 100.00 8.33e-96 . . . . 17289 1 18 no SP P83093 . "RecName: Full=Stromal interaction molecule 2; Flags: Precursor" . . . . . 96.00 746 97.22 99.31 8.29e-93 . . . . 17289 1 19 no SP Q9P246 . "RecName: Full=Stromal interaction molecule 2; Flags: Precursor" . . . . . 96.00 746 100.00 100.00 8.33e-96 . . . . 17289 1 20 no TPG DAA28777 . "TPA: stromal interaction molecule 2-like [Bos taurus]" . . . . . 96.00 835 97.22 99.31 7.21e-92 . . . . 17289 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 -5 GLY . 17289 1 2 -4 SER . 17289 1 3 -3 HIS . 17289 1 4 -2 MET . 17289 1 5 -1 ALA . 17289 1 6 0 SER . 17289 1 7 62 THR . 17289 1 8 63 GLU . 17289 1 9 64 GLU . 17289 1 10 65 ASP . 17289 1 11 66 ARG . 17289 1 12 67 PHE . 17289 1 13 68 SER . 17289 1 14 69 LEU . 17289 1 15 70 GLU . 17289 1 16 71 ALA . 17289 1 17 72 LEU . 17289 1 18 73 GLN . 17289 1 19 74 THR . 17289 1 20 75 ILE . 17289 1 21 76 HIS . 17289 1 22 77 LYS . 17289 1 23 78 GLN . 17289 1 24 79 MET . 17289 1 25 80 ASP . 17289 1 26 81 ASP . 17289 1 27 82 ASP . 17289 1 28 83 LYS . 17289 1 29 84 ASP . 17289 1 30 85 GLY . 17289 1 31 86 GLY . 17289 1 32 87 ILE . 17289 1 33 88 GLU . 17289 1 34 89 VAL . 17289 1 35 90 GLU . 17289 1 36 91 GLU . 17289 1 37 92 SER . 17289 1 38 93 ASP . 17289 1 39 94 GLU . 17289 1 40 95 PHE . 17289 1 41 96 ILE . 17289 1 42 97 ARG . 17289 1 43 98 GLU . 17289 1 44 99 ASP . 17289 1 45 100 MET . 17289 1 46 101 LYS . 17289 1 47 102 TYR . 17289 1 48 103 LYS . 17289 1 49 104 ASP . 17289 1 50 105 ALA . 17289 1 51 106 THR . 17289 1 52 107 ASN . 17289 1 53 108 LYS . 17289 1 54 109 HIS . 17289 1 55 110 SER . 17289 1 56 111 HIS . 17289 1 57 112 LEU . 17289 1 58 113 HIS . 17289 1 59 114 ARG . 17289 1 60 115 GLU . 17289 1 61 116 ASP . 17289 1 62 117 LYS . 17289 1 63 118 HIS . 17289 1 64 119 ILE . 17289 1 65 120 THR . 17289 1 66 121 ILE . 17289 1 67 122 GLU . 17289 1 68 123 ASP . 17289 1 69 124 LEU . 17289 1 70 125 TRP . 17289 1 71 126 LYS . 17289 1 72 127 ARG . 17289 1 73 128 TRP . 17289 1 74 129 LYS . 17289 1 75 130 THR . 17289 1 76 131 SER . 17289 1 77 132 GLU . 17289 1 78 133 VAL . 17289 1 79 134 HIS . 17289 1 80 135 ASN . 17289 1 81 136 TRP . 17289 1 82 137 THR . 17289 1 83 138 LEU . 17289 1 84 139 GLU . 17289 1 85 140 ASP . 17289 1 86 141 THR . 17289 1 87 142 LEU . 17289 1 88 143 GLN . 17289 1 89 144 TRP . 17289 1 90 145 LEU . 17289 1 91 146 ILE . 17289 1 92 147 GLU . 17289 1 93 148 PHE . 17289 1 94 149 VAL . 17289 1 95 150 GLU . 17289 1 96 151 LEU . 17289 1 97 152 PRO . 17289 1 98 153 GLN . 17289 1 99 154 TYR . 17289 1 100 155 GLU . 17289 1 101 156 LYS . 17289 1 102 157 ASN . 17289 1 103 158 PHE . 17289 1 104 159 ARG . 17289 1 105 160 ASP . 17289 1 106 161 ASN . 17289 1 107 162 ASN . 17289 1 108 163 VAL . 17289 1 109 164 LYS . 17289 1 110 165 GLY . 17289 1 111 166 THR . 17289 1 112 167 THR . 17289 1 113 168 LEU . 17289 1 114 169 PRO . 17289 1 115 170 ARG . 17289 1 116 171 ILE . 17289 1 117 172 ALA . 17289 1 118 173 VAL . 17289 1 119 174 HIS . 17289 1 120 175 GLU . 17289 1 121 176 PRO . 17289 1 122 177 SER . 17289 1 123 178 PHE . 17289 1 124 179 MET . 17289 1 125 180 ILE . 17289 1 126 181 SER . 17289 1 127 182 GLN . 17289 1 128 183 LEU . 17289 1 129 184 LYS . 17289 1 130 185 ILE . 17289 1 131 186 SER . 17289 1 132 187 ASP . 17289 1 133 188 ARG . 17289 1 134 189 SER . 17289 1 135 190 HIS . 17289 1 136 191 ARG . 17289 1 137 192 GLN . 17289 1 138 193 LYS . 17289 1 139 194 LEU . 17289 1 140 195 GLN . 17289 1 141 196 LEU . 17289 1 142 197 LYS . 17289 1 143 198 ALA . 17289 1 144 199 LEU . 17289 1 145 200 ASP . 17289 1 146 201 VAL . 17289 1 147 202 VAL . 17289 1 148 203 LEU . 17289 1 149 204 PHE . 17289 1 150 205 GLY . 17289 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 17289 1 . SER 2 2 17289 1 . HIS 3 3 17289 1 . MET 4 4 17289 1 . ALA 5 5 17289 1 . SER 6 6 17289 1 . THR 7 7 17289 1 . GLU 8 8 17289 1 . GLU 9 9 17289 1 . ASP 10 10 17289 1 . ARG 11 11 17289 1 . PHE 12 12 17289 1 . SER 13 13 17289 1 . LEU 14 14 17289 1 . GLU 15 15 17289 1 . ALA 16 16 17289 1 . LEU 17 17 17289 1 . GLN 18 18 17289 1 . THR 19 19 17289 1 . ILE 20 20 17289 1 . HIS 21 21 17289 1 . LYS 22 22 17289 1 . GLN 23 23 17289 1 . MET 24 24 17289 1 . ASP 25 25 17289 1 . ASP 26 26 17289 1 . ASP 27 27 17289 1 . LYS 28 28 17289 1 . ASP 29 29 17289 1 . GLY 30 30 17289 1 . GLY 31 31 17289 1 . ILE 32 32 17289 1 . GLU 33 33 17289 1 . VAL 34 34 17289 1 . GLU 35 35 17289 1 . GLU 36 36 17289 1 . SER 37 37 17289 1 . ASP 38 38 17289 1 . GLU 39 39 17289 1 . PHE 40 40 17289 1 . ILE 41 41 17289 1 . ARG 42 42 17289 1 . GLU 43 43 17289 1 . ASP 44 44 17289 1 . MET 45 45 17289 1 . LYS 46 46 17289 1 . TYR 47 47 17289 1 . LYS 48 48 17289 1 . ASP 49 49 17289 1 . ALA 50 50 17289 1 . THR 51 51 17289 1 . ASN 52 52 17289 1 . LYS 53 53 17289 1 . HIS 54 54 17289 1 . SER 55 55 17289 1 . HIS 56 56 17289 1 . LEU 57 57 17289 1 . HIS 58 58 17289 1 . ARG 59 59 17289 1 . GLU 60 60 17289 1 . ASP 61 61 17289 1 . LYS 62 62 17289 1 . HIS 63 63 17289 1 . ILE 64 64 17289 1 . THR 65 65 17289 1 . ILE 66 66 17289 1 . GLU 67 67 17289 1 . ASP 68 68 17289 1 . LEU 69 69 17289 1 . TRP 70 70 17289 1 . LYS 71 71 17289 1 . ARG 72 72 17289 1 . TRP 73 73 17289 1 . LYS 74 74 17289 1 . THR 75 75 17289 1 . SER 76 76 17289 1 . GLU 77 77 17289 1 . VAL 78 78 17289 1 . HIS 79 79 17289 1 . ASN 80 80 17289 1 . TRP 81 81 17289 1 . THR 82 82 17289 1 . LEU 83 83 17289 1 . GLU 84 84 17289 1 . ASP 85 85 17289 1 . THR 86 86 17289 1 . LEU 87 87 17289 1 . GLN 88 88 17289 1 . TRP 89 89 17289 1 . LEU 90 90 17289 1 . ILE 91 91 17289 1 . GLU 92 92 17289 1 . PHE 93 93 17289 1 . VAL 94 94 17289 1 . GLU 95 95 17289 1 . LEU 96 96 17289 1 . PRO 97 97 17289 1 . GLN 98 98 17289 1 . TYR 99 99 17289 1 . GLU 100 100 17289 1 . LYS 101 101 17289 1 . ASN 102 102 17289 1 . PHE 103 103 17289 1 . ARG 104 104 17289 1 . ASP 105 105 17289 1 . ASN 106 106 17289 1 . ASN 107 107 17289 1 . VAL 108 108 17289 1 . LYS 109 109 17289 1 . GLY 110 110 17289 1 . THR 111 111 17289 1 . THR 112 112 17289 1 . LEU 113 113 17289 1 . PRO 114 114 17289 1 . ARG 115 115 17289 1 . ILE 116 116 17289 1 . ALA 117 117 17289 1 . VAL 118 118 17289 1 . HIS 119 119 17289 1 . GLU 120 120 17289 1 . PRO 121 121 17289 1 . SER 122 122 17289 1 . PHE 123 123 17289 1 . MET 124 124 17289 1 . ILE 125 125 17289 1 . SER 126 126 17289 1 . GLN 127 127 17289 1 . LEU 128 128 17289 1 . LYS 129 129 17289 1 . ILE 130 130 17289 1 . SER 131 131 17289 1 . ASP 132 132 17289 1 . ARG 133 133 17289 1 . SER 134 134 17289 1 . HIS 135 135 17289 1 . ARG 136 136 17289 1 . GLN 137 137 17289 1 . LYS 138 138 17289 1 . LEU 139 139 17289 1 . GLN 140 140 17289 1 . LEU 141 141 17289 1 . LYS 142 142 17289 1 . ALA 143 143 17289 1 . LEU 144 144 17289 1 . ASP 145 145 17289 1 . VAL 146 146 17289 1 . VAL 147 147 17289 1 . LEU 148 148 17289 1 . PHE 149 149 17289 1 . GLY 150 150 17289 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17289 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 17289 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17289 _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 $Stromal_Interaction_Molecule_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . STIM2 . . . . 17289 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 17289 _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 $Stromal_Interaction_Molecule_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17289 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17289 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 17289 CA [Ca++] SMILES CACTVS 3.341 17289 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17289 CA [Ca+2] SMILES ACDLabs 10.04 17289 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17289 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17289 CA InChI=1/Ca/q+2 InChI InChI 1.02b 17289 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17289 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17289 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17289 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17289 _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 'PROTEIN (Stromal Interaction Molecule 2)' '[U-99% 15N]' . . 1 $Stromal_Interaction_Molecule_2 . . . 0.5 0.7 mM . . . . 17289 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17289 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17289 1 4 'Calcium Ion' 'natural abundance' . . 2 $CA . . 10 . . mM . . . . 17289 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17289 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17289 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17289 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PROTEIN (Stromal Interaction Molecule 2)' '[U-99% 13C; U-99% 15N]' . . 1 $Stromal_Interaction_Molecule_2 . . . 0.5 0.7 mM . . . . 17289 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17289 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17289 2 4 'Calcium Ion' 'natural abundance' . . 2 $CA . . 10 . . mM . . . . 17289 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17289 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17289 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17289 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'PROTEIN (Stromal Interaction Molecule 2)' '[U-99% 13C; U-99% 15N]' . . 1 $Stromal_Interaction_Molecule_2 . . . 0.5 0.7 mM . . . . 17289 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17289 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17289 3 4 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 10 . . mM . . . . 17289 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17289 3 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 17289 _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' 105 . mM 17289 1 pH 7.5 . pH 17289 1 pressure 1 . atm 17289 1 temperature 288 . K 17289 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17289 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 105 . mM 17289 2 pD 7.9 . pH 17289 2 pressure 1 . atm 17289 2 temperature 288 . K 17289 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17289 _Software.ID 1 _Software.Name CNS _Software.Version v1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17289 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17289 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17289 _Software.ID 2 _Software.Name CYANA _Software.Version v2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17289 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17289 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17289 _Software.ID 3 _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' . . 17289 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17289 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17289 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17289 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17289 4 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 17289 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17289 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17289 _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 . . . 17289 1 2 spectrometer_2 Bruker Avance . 800 . . . 17289 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 17289 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17289 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17289 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17289 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17289 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 1 12 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17289 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 17289 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17289 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17289 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17289 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 17289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17289 1 2 '3D CBCA(CO)NH' . . . 17289 1 3 '3D HNCACB' . . . 17289 1 4 '3D 1H-15N NOESY' . . . 17289 1 5 '3D 1H-13C NOESY' . . . 17289 1 6 '3D HN(CO)CA' . . . 17289 1 7 '3D HNCA' . . . 17289 1 9 '3D HBHA(CO)NH' . . . 17289 1 10 '2D 1H-13C HSQC' . . . 17289 1 12 '3D HCCH-COSY' . . . 17289 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.718 0.03 . 1 . . . . -5 G H . 17289 1 2 . 1 1 1 1 GLY N N 15 115.925 0.3 . 1 . . . . -5 G N . 17289 1 3 . 1 1 5 5 ALA HB1 H 1 1.321 0.03 . 1 . . . . -1 A QB . 17289 1 4 . 1 1 5 5 ALA HB2 H 1 1.321 0.03 . 1 . . . . -1 A QB . 17289 1 5 . 1 1 5 5 ALA HB3 H 1 1.321 0.03 . 1 . . . . -1 A QB . 17289 1 6 . 1 1 5 5 ALA CB C 13 19.508 0.3 . 1 . . . . -1 A CB . 17289 1 7 . 1 1 6 6 SER H H 1 8.654 0.001 . 1 . . . . 0 S H . 17289 1 8 . 1 1 6 6 SER HA H 1 4.605 0.001 . 1 . . . . 0 S HA . 17289 1 9 . 1 1 6 6 SER HB2 H 1 4.022 0.009 . 2 . . . . 0 S HB2 . 17289 1 10 . 1 1 6 6 SER HB3 H 1 3.921 0.005 . 2 . . . . 0 S HB3 . 17289 1 11 . 1 1 6 6 SER CA C 13 58.735 0.3 . 1 . . . . 0 S CA . 17289 1 12 . 1 1 6 6 SER CB C 13 64.066 0.3 . 1 . . . . 0 S CB . 17289 1 13 . 1 1 6 6 SER N N 15 119.266 0.3 . 1 . . . . 0 S N . 17289 1 14 . 1 1 7 7 THR H H 1 8.712 0.03 . 1 . . . . 62 T H . 17289 1 15 . 1 1 7 7 THR HA H 1 4.480 0.002 . 1 . . . . 62 T HA . 17289 1 16 . 1 1 7 7 THR HB H 1 4.516 0.001 . 1 . . . . 62 T HB . 17289 1 17 . 1 1 7 7 THR HG21 H 1 1.308 0.002 . 1 . . . . 62 T QG2 . 17289 1 18 . 1 1 7 7 THR HG22 H 1 1.308 0.002 . 1 . . . . 62 T QG2 . 17289 1 19 . 1 1 7 7 THR HG23 H 1 1.308 0.002 . 1 . . . . 62 T QG2 . 17289 1 20 . 1 1 7 7 THR CA C 13 61.674 0.3 . 1 . . . . 62 T CA . 17289 1 21 . 1 1 7 7 THR CB C 13 70.387 0.3 . 1 . . . . 62 T CB . 17289 1 22 . 1 1 7 7 THR CG2 C 13 21.766 0.3 . 1 . . . . 62 T CG2 . 17289 1 23 . 1 1 7 7 THR N N 15 122.839 0.3 . 1 . . . . 62 T N . 17289 1 24 . 1 1 8 8 GLU HA H 1 4.008 0.03 . 1 . . . . 63 E HA . 17289 1 25 . 1 1 8 8 GLU HB2 H 1 2.060 0.03 . 2 . . . . 63 E QB . 17289 1 26 . 1 1 8 8 GLU HB3 H 1 2.060 0.03 . 2 . . . . 63 E QB . 17289 1 27 . 1 1 8 8 GLU HG2 H 1 2.424 0.03 . 2 . . . . 63 E HG2 . 17289 1 28 . 1 1 8 8 GLU HG3 H 1 2.276 0.03 . 2 . . . . 63 E HG3 . 17289 1 29 . 1 1 8 8 GLU CA C 13 59.174 0.3 . 1 . . . . 63 E CA . 17289 1 30 . 1 1 8 8 GLU CB C 13 29.285 0.3 . 1 . . . . 63 E CB . 17289 1 31 . 1 1 8 8 GLU CG C 13 36.580 0.002 . 1 . . . . 63 E CG . 17289 1 32 . 1 1 9 9 GLU H H 1 8.479 0.03 . 1 . . . . 64 E H . 17289 1 33 . 1 1 9 9 GLU HA H 1 4.149 0.003 . 1 . . . . 64 E HA . 17289 1 34 . 1 1 9 9 GLU HB2 H 1 2.185 0.002 . 2 . . . . 64 E HB2 . 17289 1 35 . 1 1 9 9 GLU HB3 H 1 2.083 0.002 . 2 . . . . 64 E HB3 . 17289 1 36 . 1 1 9 9 GLU HG2 H 1 2.339 0.001 . 2 . . . . 64 E QG . 17289 1 37 . 1 1 9 9 GLU HG3 H 1 2.339 0.001 . 2 . . . . 64 E QG . 17289 1 38 . 1 1 9 9 GLU CA C 13 59.692 0.3 . 1 . . . . 64 E CA . 17289 1 39 . 1 1 9 9 GLU CB C 13 29.977 0.001 . 1 . . . . 64 E CB . 17289 1 40 . 1 1 9 9 GLU CG C 13 37.063 0.3 . 1 . . . . 64 E CG . 17289 1 41 . 1 1 9 9 GLU N N 15 118.133 0.3 . 1 . . . . 64 E N . 17289 1 42 . 1 1 10 10 ASP H H 1 8.184 0.001 . 1 . . . . 65 D H . 17289 1 43 . 1 1 10 10 ASP HA H 1 4.869 0.004 . 1 . . . . 65 D HA . 17289 1 44 . 1 1 10 10 ASP HB2 H 1 3.035 0.001 . 2 . . . . 65 D HB2 . 17289 1 45 . 1 1 10 10 ASP HB3 H 1 2.932 0.002 . 2 . . . . 65 D HB3 . 17289 1 46 . 1 1 10 10 ASP CA C 13 56.973 0.3 . 1 . . . . 65 D CA . 17289 1 47 . 1 1 10 10 ASP CB C 13 40.682 0.3 . 1 . . . . 65 D CB . 17289 1 48 . 1 1 10 10 ASP N N 15 119.294 0.3 . 1 . . . . 65 D N . 17289 1 49 . 1 1 11 11 ARG H H 1 8.075 0.001 . 1 . . . . 66 R H . 17289 1 50 . 1 1 11 11 ARG HA H 1 3.798 0.001 . 1 . . . . 66 R HA . 17289 1 51 . 1 1 11 11 ARG HB2 H 1 1.708 0.03 . 2 . . . . 66 R HB2 . 17289 1 52 . 1 1 11 11 ARG HB3 H 1 1.655 0.001 . 2 . . . . 66 R HB3 . 17289 1 53 . 1 1 11 11 ARG HG2 H 1 1.431 0.003 . 2 . . . . 66 R HG2 . 17289 1 54 . 1 1 11 11 ARG HG3 H 1 1.240 0.001 . 2 . . . . 66 R HG3 . 17289 1 55 . 1 1 11 11 ARG HD2 H 1 2.901 0.001 . 2 . . . . 66 R HD2 . 17289 1 56 . 1 1 11 11 ARG HD3 H 1 2.947 0.002 . 2 . . . . 66 R HD3 . 17289 1 57 . 1 1 11 11 ARG CA C 13 59.897 0.3 . 1 . . . . 66 R CA . 17289 1 58 . 1 1 11 11 ARG CB C 13 29.347 0.3 . 1 . . . . 66 R CB . 17289 1 59 . 1 1 11 11 ARG CG C 13 27.300 0.003 . 1 . . . . 66 R CG . 17289 1 60 . 1 1 11 11 ARG CD C 13 43.000 0.3 . 1 . . . . 66 R CD . 17289 1 61 . 1 1 11 11 ARG N N 15 121.246 0.3 . 1 . . . . 66 R N . 17289 1 62 . 1 1 12 12 PHE H H 1 7.990 0.03 . 1 . . . . 67 F H . 17289 1 63 . 1 1 12 12 PHE HA H 1 4.397 0.002 . 1 . . . . 67 F HA . 17289 1 64 . 1 1 12 12 PHE HB2 H 1 2.971 0.002 . 2 . . . . 67 F QB . 17289 1 65 . 1 1 12 12 PHE HB3 H 1 2.971 0.002 . 2 . . . . 67 F QB . 17289 1 66 . 1 1 12 12 PHE HD1 H 1 7.257 0.3 . 3 . . . . 67 F H . 17289 1 67 . 1 1 12 12 PHE HD2 H 1 7.257 0.3 . 3 . . . . 67 F H . 17289 1 68 . 1 1 12 12 PHE HE1 H 1 7.257 0.3 . 3 . . . . 67 F H . 17289 1 69 . 1 1 12 12 PHE HE2 H 1 7.257 0.3 . 3 . . . . 67 F H . 17289 1 70 . 1 1 12 12 PHE HZ H 1 7.257 0.3 . 1 . . . . 67 F H . 17289 1 71 . 1 1 12 12 PHE CA C 13 60.748 0.3 . 1 . . . . 67 F CA . 17289 1 72 . 1 1 12 12 PHE CB C 13 38.509 0.3 . 1 . . . . 67 F CB . 17289 1 73 . 1 1 12 12 PHE N N 15 116.556 0.3 . 1 . . . . 67 F N . 17289 1 74 . 1 1 13 13 SER H H 1 8.554 0.002 . 1 . . . . 68 S H . 17289 1 75 . 1 1 13 13 SER HA H 1 4.457 0.002 . 1 . . . . 68 S HA . 17289 1 76 . 1 1 13 13 SER HB2 H 1 4.141 0.03 . 2 . . . . 68 S HB2 . 17289 1 77 . 1 1 13 13 SER HB3 H 1 3.997 0.006 . 2 . . . . 68 S HB3 . 17289 1 78 . 1 1 13 13 SER CA C 13 63.246 0.3 . 1 . . . . 68 S CA . 17289 1 79 . 1 1 13 13 SER CB C 13 62.596 0.3 . 1 . . . . 68 S CB . 17289 1 80 . 1 1 13 13 SER N N 15 118.527 0.3 . 1 . . . . 68 S N . 17289 1 81 . 1 1 14 14 LEU H H 1 8.775 0.03 . 1 . . . . 69 L H . 17289 1 82 . 1 1 14 14 LEU HA H 1 3.923 0.001 . 1 . . . . 69 L HA . 17289 1 83 . 1 1 14 14 LEU HB2 H 1 1.408 0.008 . 2 . . . . 69 L HB2 . 17289 1 84 . 1 1 14 14 LEU HB3 H 1 0.463 0.003 . 2 . . . . 69 L HB3 . 17289 1 85 . 1 1 14 14 LEU HG H 1 1.038 0.003 . 1 . . . . 69 L HG . 17289 1 86 . 1 1 14 14 LEU HD11 H 1 0.279 0.001 . 2 . . . . 69 L QD1 . 17289 1 87 . 1 1 14 14 LEU HD12 H 1 0.279 0.001 . 2 . . . . 69 L QD1 . 17289 1 88 . 1 1 14 14 LEU HD13 H 1 0.279 0.001 . 2 . . . . 69 L QD1 . 17289 1 89 . 1 1 14 14 LEU HD21 H 1 0.182 0.001 . 2 . . . . 69 L QD2 . 17289 1 90 . 1 1 14 14 LEU HD22 H 1 0.182 0.001 . 2 . . . . 69 L QD2 . 17289 1 91 . 1 1 14 14 LEU HD23 H 1 0.182 0.001 . 2 . . . . 69 L QD2 . 17289 1 92 . 1 1 14 14 LEU CA C 13 58.325 0.3 . 1 . . . . 69 L CA . 17289 1 93 . 1 1 14 14 LEU CB C 13 39.803 0.001 . 1 . . . . 69 L CB . 17289 1 94 . 1 1 14 14 LEU CG C 13 26.688 0.3 . 1 . . . . 69 L CG . 17289 1 95 . 1 1 14 14 LEU CD1 C 13 25.256 0.3 . 2 . . . . 69 L CD1 . 17289 1 96 . 1 1 14 14 LEU CD2 C 13 21.270 0.3 . 2 . . . . 69 L CD2 . 17289 1 97 . 1 1 14 14 LEU N N 15 125.009 0.3 . 1 . . . . 69 L N . 17289 1 98 . 1 1 15 15 GLU H H 1 7.773 0.001 . 1 . . . . 70 E H . 17289 1 99 . 1 1 15 15 GLU HA H 1 3.953 0.001 . 1 . . . . 70 E HA . 17289 1 100 . 1 1 15 15 GLU HB2 H 1 2.052 0.003 . 2 . . . . 70 E QB . 17289 1 101 . 1 1 15 15 GLU HB3 H 1 2.052 0.003 . 2 . . . . 70 E QB . 17289 1 102 . 1 1 15 15 GLU HG2 H 1 2.383 0.001 . 2 . . . . 70 E HG2 . 17289 1 103 . 1 1 15 15 GLU HG3 H 1 2.192 0.001 . 2 . . . . 70 E HG3 . 17289 1 104 . 1 1 15 15 GLU CA C 13 59.239 0.3 . 1 . . . . 70 E CA . 17289 1 105 . 1 1 15 15 GLU CB C 13 29.265 0.3 . 1 . . . . 70 E CB . 17289 1 106 . 1 1 15 15 GLU CG C 13 36.521 0.002 . 1 . . . . 70 E CG . 17289 1 107 . 1 1 15 15 GLU N N 15 118.386 0.3 . 1 . . . . 70 E N . 17289 1 108 . 1 1 16 16 ALA H H 1 7.656 0.03 . 1 . . . . 71 A H . 17289 1 109 . 1 1 16 16 ALA HA H 1 4.120 0.03 . 1 . . . . 71 A HA . 17289 1 110 . 1 1 16 16 ALA HB1 H 1 1.416 0.03 . 1 . . . . 71 A QB . 17289 1 111 . 1 1 16 16 ALA HB2 H 1 1.416 0.03 . 1 . . . . 71 A QB . 17289 1 112 . 1 1 16 16 ALA HB3 H 1 1.416 0.03 . 1 . . . . 71 A QB . 17289 1 113 . 1 1 16 16 ALA CA C 13 55.114 0.3 . 1 . . . . 71 A CA . 17289 1 114 . 1 1 16 16 ALA CB C 13 18.698 0.3 . 1 . . . . 71 A CB . 17289 1 115 . 1 1 16 16 ALA N N 15 121.550 0.3 . 1 . . . . 71 A N . 17289 1 116 . 1 1 17 17 LEU H H 1 8.472 0.002 . 1 . . . . 72 L H . 17289 1 117 . 1 1 17 17 LEU HA H 1 3.909 0.002 . 1 . . . . 72 L HA . 17289 1 118 . 1 1 17 17 LEU HB2 H 1 1.969 0.007 . 2 . . . . 72 L HB2 . 17289 1 119 . 1 1 17 17 LEU HB3 H 1 1.372 0.004 . 2 . . . . 72 L HB3 . 17289 1 120 . 1 1 17 17 LEU HG H 1 1.614 0.002 . 1 . . . . 72 L HG . 17289 1 121 . 1 1 17 17 LEU HD11 H 1 0.719 0.003 . 2 . . . . 72 L QD1 . 17289 1 122 . 1 1 17 17 LEU HD12 H 1 0.719 0.003 . 2 . . . . 72 L QD1 . 17289 1 123 . 1 1 17 17 LEU HD13 H 1 0.719 0.003 . 2 . . . . 72 L QD1 . 17289 1 124 . 1 1 17 17 LEU HD21 H 1 0.546 0.03 . 2 . . . . 72 L QD2 . 17289 1 125 . 1 1 17 17 LEU HD22 H 1 0.546 0.03 . 2 . . . . 72 L QD2 . 17289 1 126 . 1 1 17 17 LEU HD23 H 1 0.546 0.03 . 2 . . . . 72 L QD2 . 17289 1 127 . 1 1 17 17 LEU CA C 13 58.101 0.3 . 1 . . . . 72 L CA . 17289 1 128 . 1 1 17 17 LEU CB C 13 41.163 0.3 . 1 . . . . 72 L CB . 17289 1 129 . 1 1 17 17 LEU CG C 13 27.846 0.3 . 1 . . . . 72 L CG . 17289 1 130 . 1 1 17 17 LEU CD1 C 13 25.367 0.3 . 2 . . . . 72 L CD1 . 17289 1 131 . 1 1 17 17 LEU CD2 C 13 22.689 0.3 . 2 . . . . 72 L CD2 . 17289 1 132 . 1 1 17 17 LEU N N 15 118.297 0.3 . 1 . . . . 72 L N . 17289 1 133 . 1 1 18 18 GLN H H 1 8.953 0.002 . 1 . . . . 73 Q H . 17289 1 134 . 1 1 18 18 GLN HA H 1 3.953 0.008 . 1 . . . . 73 Q HA . 17289 1 135 . 1 1 18 18 GLN HB2 H 1 2.263 0.007 . 2 . . . . 73 Q HB2 . 17289 1 136 . 1 1 18 18 GLN HB3 H 1 2.022 0.005 . 2 . . . . 73 Q HB3 . 17289 1 137 . 1 1 18 18 GLN HE21 H 1 6.749 0.006 . 2 . . . . 73 Q HE21 . 17289 1 138 . 1 1 18 18 GLN HE22 H 1 7.108 0.03 . 2 . . . . 73 Q HE22 . 17289 1 139 . 1 1 18 18 GLN CA C 13 59.539 0.3 . 1 . . . . 73 Q CA . 17289 1 140 . 1 1 18 18 GLN CB C 13 28.211 0.3 . 1 . . . . 73 Q CB . 17289 1 141 . 1 1 18 18 GLN N N 15 119.545 0.3 . 1 . . . . 73 Q N . 17289 1 142 . 1 1 18 18 GLN NE2 N 15 110.351 0.011 . 1 . . . . 73 Q NE2 . 17289 1 143 . 1 1 19 19 THR H H 1 7.913 0.003 . 1 . . . . 74 T H . 17289 1 144 . 1 1 19 19 THR HA H 1 3.926 0.001 . 1 . . . . 74 T HA . 17289 1 145 . 1 1 19 19 THR HB H 1 4.589 0.004 . 1 . . . . 74 T HB . 17289 1 146 . 1 1 19 19 THR HG21 H 1 1.258 0.005 . 1 . . . . 74 T QG2 . 17289 1 147 . 1 1 19 19 THR HG22 H 1 1.258 0.005 . 1 . . . . 74 T QG2 . 17289 1 148 . 1 1 19 19 THR HG23 H 1 1.258 0.005 . 1 . . . . 74 T QG2 . 17289 1 149 . 1 1 19 19 THR CA C 13 66.867 0.3 . 1 . . . . 74 T CA . 17289 1 150 . 1 1 19 19 THR CB C 13 68.352 0.3 . 1 . . . . 74 T CB . 17289 1 151 . 1 1 19 19 THR CG2 C 13 21.790 0.3 . 1 . . . . 74 T CG2 . 17289 1 152 . 1 1 19 19 THR N N 15 119.206 0.3 . 1 . . . . 74 T N . 17289 1 153 . 1 1 20 20 ILE H H 1 8.258 0.001 . 1 . . . . 75 I H . 17289 1 154 . 1 1 20 20 ILE HA H 1 3.612 0.001 . 1 . . . . 75 I HA . 17289 1 155 . 1 1 20 20 ILE HB H 1 1.671 0.001 . 1 . . . . 75 I HB . 17289 1 156 . 1 1 20 20 ILE HG12 H 1 1.760 0.001 . 2 . . . . 75 I HG12 . 17289 1 157 . 1 1 20 20 ILE HG13 H 1 0.960 0.001 . 2 . . . . 75 I HG13 . 17289 1 158 . 1 1 20 20 ILE HG21 H 1 0.611 0.003 . 1 . . . . 75 I QG2 . 17289 1 159 . 1 1 20 20 ILE HG22 H 1 0.611 0.003 . 1 . . . . 75 I QG2 . 17289 1 160 . 1 1 20 20 ILE HG23 H 1 0.611 0.003 . 1 . . . . 75 I QG2 . 17289 1 161 . 1 1 20 20 ILE HD11 H 1 0.569 0.001 . 1 . . . . 75 I QD1 . 17289 1 162 . 1 1 20 20 ILE HD12 H 1 0.569 0.001 . 1 . . . . 75 I QD1 . 17289 1 163 . 1 1 20 20 ILE HD13 H 1 0.569 0.001 . 1 . . . . 75 I QD1 . 17289 1 164 . 1 1 20 20 ILE CA C 13 65.230 0.3 . 1 . . . . 75 I CA . 17289 1 165 . 1 1 20 20 ILE CB C 13 38.772 0.3 . 1 . . . . 75 I CB . 17289 1 166 . 1 1 20 20 ILE CG1 C 13 29.282 0.3 . 1 . . . . 75 I CG1 . 17289 1 167 . 1 1 20 20 ILE CG2 C 13 17.085 0.3 . 1 . . . . 75 I CG2 . 17289 1 168 . 1 1 20 20 ILE CD1 C 13 13.568 0.3 . 1 . . . . 75 I CD1 . 17289 1 169 . 1 1 20 20 ILE N N 15 124.363 0.3 . 1 . . . . 75 I N . 17289 1 170 . 1 1 21 21 HIS H H 1 8.806 0.03 . 1 . . . . 76 H H . 17289 1 171 . 1 1 21 21 HIS HA H 1 3.511 0.003 . 1 . . . . 76 H HA . 17289 1 172 . 1 1 21 21 HIS HB2 H 1 3.197 0.003 . 2 . . . . 76 H HB2 . 17289 1 173 . 1 1 21 21 HIS HB3 H 1 2.958 0.003 . 2 . . . . 76 H HB3 . 17289 1 174 . 1 1 21 21 HIS HD2 H 1 6.400 0.03 . 1 . . . . 76 H HD2 . 17289 1 175 . 1 1 21 21 HIS CA C 13 61.732 0.3 . 1 . . . . 76 H CA . 17289 1 176 . 1 1 21 21 HIS CB C 13 31.917 0.003 . 1 . . . . 76 H CB . 17289 1 177 . 1 1 21 21 HIS N N 15 120.027 0.3 . 1 . . . . 76 H N . 17289 1 178 . 1 1 22 22 LYS H H 1 8.055 0.001 . 1 . . . . 77 K H . 17289 1 179 . 1 1 22 22 LYS HA H 1 4.074 0.03 . 1 . . . . 77 K HA . 17289 1 180 . 1 1 22 22 LYS HB2 H 1 2.048 0.001 . 2 . . . . 77 K HB2 . 17289 1 181 . 1 1 22 22 LYS HB3 H 1 1.959 0.03 . 2 . . . . 77 K HB3 . 17289 1 182 . 1 1 22 22 LYS HG2 H 1 1.555 0.002 . 2 . . . . 77 K HG2 . 17289 1 183 . 1 1 22 22 LYS HG3 H 1 1.686 0.03 . 2 . . . . 77 K HG3 . 17289 1 184 . 1 1 22 22 LYS HD2 H 1 1.755 0.001 . 2 . . . . 77 K QD . 17289 1 185 . 1 1 22 22 LYS HD3 H 1 1.755 0.001 . 2 . . . . 77 K QD . 17289 1 186 . 1 1 22 22 LYS HE2 H 1 2.980 0.03 . 2 . . . . 77 K QE . 17289 1 187 . 1 1 22 22 LYS HE3 H 1 2.980 0.03 . 2 . . . . 77 K QE . 17289 1 188 . 1 1 22 22 LYS CA C 13 59.214 0.3 . 1 . . . . 77 K CA . 17289 1 189 . 1 1 22 22 LYS CB C 13 32.696 0.001 . 1 . . . . 77 K CB . 17289 1 190 . 1 1 22 22 LYS CG C 13 25.551 0.3 . 1 . . . . 77 K CG . 17289 1 191 . 1 1 22 22 LYS CD C 13 29.469 0.3 . 1 . . . . 77 K CD . 17289 1 192 . 1 1 22 22 LYS CE C 13 41.839 0.3 . 1 . . . . 77 K CE . 17289 1 193 . 1 1 22 22 LYS N N 15 116.304 0.3 . 1 . . . . 77 K N . 17289 1 194 . 1 1 23 23 GLN H H 1 7.743 0.003 . 1 . . . . 78 Q H . 17289 1 195 . 1 1 23 23 GLN HA H 1 3.956 0.03 . 1 . . . . 78 Q HA . 17289 1 196 . 1 1 23 23 GLN HB2 H 1 2.162 0.002 . 2 . . . . 78 Q HB2 . 17289 1 197 . 1 1 23 23 GLN HB3 H 1 2.262 0.001 . 2 . . . . 78 Q HB3 . 17289 1 198 . 1 1 23 23 GLN HG2 H 1 2.549 0.003 . 2 . . . . 78 Q HG2 . 17289 1 199 . 1 1 23 23 GLN HG3 H 1 2.396 0.001 . 2 . . . . 78 Q HG3 . 17289 1 200 . 1 1 23 23 GLN CA C 13 58.189 0.3 . 1 . . . . 78 Q CA . 17289 1 201 . 1 1 23 23 GLN CB C 13 28.314 0.3 . 1 . . . . 78 Q CB . 17289 1 202 . 1 1 23 23 GLN CG C 13 33.847 0.3 . 1 . . . . 78 Q CG . 17289 1 203 . 1 1 23 23 GLN N N 15 117.291 0.3 . 1 . . . . 78 Q N . 17289 1 204 . 1 1 24 24 MET H H 1 7.557 0.002 . 1 . . . . 79 M H . 17289 1 205 . 1 1 24 24 MET HA H 1 3.765 0.001 . 1 . . . . 79 M HA . 17289 1 206 . 1 1 24 24 MET HB2 H 1 1.456 0.003 . 2 . . . . 79 M QB . 17289 1 207 . 1 1 24 24 MET HB3 H 1 1.456 0.003 . 2 . . . . 79 M QB . 17289 1 208 . 1 1 24 24 MET HG2 H 1 1.932 0.003 . 2 . . . . 79 M QG . 17289 1 209 . 1 1 24 24 MET HG3 H 1 1.932 0.003 . 2 . . . . 79 M QG . 17289 1 210 . 1 1 24 24 MET HE1 H 1 1.508 0.03 . 1 . . . . 79 M QE . 17289 1 211 . 1 1 24 24 MET HE2 H 1 1.508 0.03 . 1 . . . . 79 M QE . 17289 1 212 . 1 1 24 24 MET HE3 H 1 1.508 0.03 . 1 . . . . 79 M QE . 17289 1 213 . 1 1 24 24 MET CA C 13 58.463 0.3 . 1 . . . . 79 M CA . 17289 1 214 . 1 1 24 24 MET CB C 13 35.142 0.3 . 1 . . . . 79 M CB . 17289 1 215 . 1 1 24 24 MET CG C 13 31.021 0.3 . 1 . . . . 79 M CG . 17289 1 216 . 1 1 24 24 MET CE C 13 15.807 0.3 . 1 . . . . 79 M CE . 17289 1 217 . 1 1 24 24 MET N N 15 116.543 0.3 . 1 . . . . 79 M N . 17289 1 218 . 1 1 25 25 ASP H H 1 7.893 0.03 . 1 . . . . 80 D H . 17289 1 219 . 1 1 25 25 ASP HA H 1 4.480 0.001 . 1 . . . . 80 D HA . 17289 1 220 . 1 1 25 25 ASP HB2 H 1 2.676 0.03 . 2 . . . . 80 D HB2 . 17289 1 221 . 1 1 25 25 ASP HB3 H 1 1.690 0.002 . 2 . . . . 80 D HB3 . 17289 1 222 . 1 1 25 25 ASP CA C 13 52.449 0.3 . 1 . . . . 80 D CA . 17289 1 223 . 1 1 25 25 ASP CB C 13 38.871 0.001 . 1 . . . . 80 D CB . 17289 1 224 . 1 1 25 25 ASP N N 15 117.043 0.3 . 1 . . . . 80 D N . 17289 1 225 . 1 1 26 26 ASP H H 1 7.726 0.002 . 1 . . . . 81 D H . 17289 1 226 . 1 1 26 26 ASP HA H 1 4.358 0.03 . 1 . . . . 81 D HA . 17289 1 227 . 1 1 26 26 ASP HB2 H 1 2.819 0.03 . 2 . . . . 81 D HB2 . 17289 1 228 . 1 1 26 26 ASP HB3 H 1 2.739 0.03 . 2 . . . . 81 D HB3 . 17289 1 229 . 1 1 26 26 ASP CA C 13 57.678 0.3 . 1 . . . . 81 D CA . 17289 1 230 . 1 1 26 26 ASP CB C 13 41.576 0.002 . 1 . . . . 81 D CB . 17289 1 231 . 1 1 26 26 ASP N N 15 127.878 0.3 . 1 . . . . 81 D N . 17289 1 232 . 1 1 27 27 ASP H H 1 8.386 0.004 . 1 . . . . 82 D H . 17289 1 233 . 1 1 27 27 ASP HA H 1 4.521 0.03 . 1 . . . . 82 D HA . 17289 1 234 . 1 1 27 27 ASP HB2 H 1 3.099 0.001 . 2 . . . . 82 D HB2 . 17289 1 235 . 1 1 27 27 ASP HB3 H 1 2.689 0.001 . 2 . . . . 82 D HB3 . 17289 1 236 . 1 1 27 27 ASP CA C 13 53.099 0.3 . 1 . . . . 82 D CA . 17289 1 237 . 1 1 27 27 ASP CB C 13 38.923 0.003 . 1 . . . . 82 D CB . 17289 1 238 . 1 1 27 27 ASP N N 15 114.053 0.3 . 1 . . . . 82 D N . 17289 1 239 . 1 1 28 28 LYS H H 1 7.827 0.004 . 1 . . . . 83 K H . 17289 1 240 . 1 1 28 28 LYS HA H 1 3.922 0.03 . 1 . . . . 83 K HA . 17289 1 241 . 1 1 28 28 LYS HB2 H 1 2.054 0.03 . 2 . . . . 83 K HB2 . 17289 1 242 . 1 1 28 28 LYS HB3 H 1 1.994 0.03 . 2 . . . . 83 K HB3 . 17289 1 243 . 1 1 28 28 LYS HG2 H 1 1.403 0.001 . 2 . . . . 83 K QG . 17289 1 244 . 1 1 28 28 LYS HG3 H 1 1.403 0.001 . 2 . . . . 83 K QG . 17289 1 245 . 1 1 28 28 LYS HD2 H 1 1.818 0.03 . 2 . . . . 83 K QD . 17289 1 246 . 1 1 28 28 LYS HD3 H 1 1.818 0.03 . 2 . . . . 83 K QD . 17289 1 247 . 1 1 28 28 LYS HE2 H 1 3.079 0.001 . 2 . . . . 83 K HE2 . 17289 1 248 . 1 1 28 28 LYS HE3 H 1 3.031 0.03 . 2 . . . . 83 K HE3 . 17289 1 249 . 1 1 28 28 LYS CA C 13 57.027 0.3 . 1 . . . . 83 K CA . 17289 1 250 . 1 1 28 28 LYS CB C 13 28.690 0.002 . 1 . . . . 83 K CB . 17289 1 251 . 1 1 28 28 LYS CG C 13 24.556 0.3 . 1 . . . . 83 K CG . 17289 1 252 . 1 1 28 28 LYS CD C 13 28.304 0.3 . 1 . . . . 83 K CD . 17289 1 253 . 1 1 28 28 LYS CE C 13 42.229 0.006 . 1 . . . . 83 K CE . 17289 1 254 . 1 1 28 28 LYS N N 15 114.050 0.3 . 1 . . . . 83 K N . 17289 1 255 . 1 1 29 29 ASP H H 1 8.342 0.03 . 1 . . . . 84 D H . 17289 1 256 . 1 1 29 29 ASP HA H 1 4.513 0.03 . 1 . . . . 84 D HA . 17289 1 257 . 1 1 29 29 ASP HB2 H 1 3.166 0.001 . 2 . . . . 84 D HB2 . 17289 1 258 . 1 1 29 29 ASP HB3 H 1 2.583 0.03 . 2 . . . . 84 D HB3 . 17289 1 259 . 1 1 29 29 ASP CA C 13 53.405 0.3 . 1 . . . . 84 D CA . 17289 1 260 . 1 1 29 29 ASP CB C 13 40.099 0.005 . 1 . . . . 84 D CB . 17289 1 261 . 1 1 29 29 ASP N N 15 118.552 0.3 . 1 . . . . 84 D N . 17289 1 262 . 1 1 30 30 GLY H H 1 10.317 0.005 . 1 . . . . 85 G H . 17289 1 263 . 1 1 30 30 GLY HA2 H 1 4.527 0.001 . 2 . . . . 85 G HA2 . 17289 1 264 . 1 1 30 30 GLY HA3 H 1 3.554 0.006 . 2 . . . . 85 G HA3 . 17289 1 265 . 1 1 30 30 GLY CA C 13 45.104 0.3 . 1 . . . . 85 G CA . 17289 1 266 . 1 1 30 30 GLY N N 15 112.552 0.3 . 1 . . . . 85 G N . 17289 1 267 . 1 1 31 31 GLY H H 1 8.258 0.002 . 1 . . . . 86 G H . 17289 1 268 . 1 1 31 31 GLY HA2 H 1 4.257 0.008 . 2 . . . . 86 G QA . 17289 1 269 . 1 1 31 31 GLY HA3 H 1 4.257 0.008 . 2 . . . . 86 G QA . 17289 1 270 . 1 1 31 31 GLY CA C 13 41.510 0.3 . 1 . . . . 86 G CA . 17289 1 271 . 1 1 31 31 GLY N N 15 109.090 0.3 . 1 . . . . 86 G N . 17289 1 272 . 1 1 32 32 ILE H H 1 9.295 0.002 . 1 . . . . 87 I H . 17289 1 273 . 1 1 32 32 ILE HA H 1 4.010 0.005 . 1 . . . . 87 I HA . 17289 1 274 . 1 1 32 32 ILE HB H 1 1.684 0.03 . 1 . . . . 87 I HB . 17289 1 275 . 1 1 32 32 ILE HG12 H 1 0.292 0.003 . 2 . . . . 87 I HG12 . 17289 1 276 . 1 1 32 32 ILE HG13 H 1 0.970 0.03 . 2 . . . . 87 I HG13 . 17289 1 277 . 1 1 32 32 ILE HG21 H 1 0.918 0.001 . 1 . . . . 87 I QG2 . 17289 1 278 . 1 1 32 32 ILE HG22 H 1 0.918 0.001 . 1 . . . . 87 I QG2 . 17289 1 279 . 1 1 32 32 ILE HG23 H 1 0.918 0.001 . 1 . . . . 87 I QG2 . 17289 1 280 . 1 1 32 32 ILE HD11 H 1 0.671 0.001 . 1 . . . . 87 I QD1 . 17289 1 281 . 1 1 32 32 ILE HD12 H 1 0.671 0.001 . 1 . . . . 87 I QD1 . 17289 1 282 . 1 1 32 32 ILE HD13 H 1 0.671 0.001 . 1 . . . . 87 I QD1 . 17289 1 283 . 1 1 32 32 ILE CA C 13 62.590 0.3 . 1 . . . . 87 I CA . 17289 1 284 . 1 1 32 32 ILE CB C 13 38.760 0.3 . 1 . . . . 87 I CB . 17289 1 285 . 1 1 32 32 ILE CG1 C 13 26.244 0.3 . 1 . . . . 87 I CG1 . 17289 1 286 . 1 1 32 32 ILE CG2 C 13 18.876 0.3 . 1 . . . . 87 I CG2 . 17289 1 287 . 1 1 32 32 ILE CD1 C 13 15.797 0.3 . 1 . . . . 87 I CD1 . 17289 1 288 . 1 1 32 32 ILE N N 15 128.806 0.3 . 1 . . . . 87 I N . 17289 1 289 . 1 1 33 33 GLU H H 1 9.163 0.004 . 1 . . . . 88 E H . 17289 1 290 . 1 1 33 33 GLU HA H 1 4.818 0.003 . 1 . . . . 88 E HA . 17289 1 291 . 1 1 33 33 GLU HB2 H 1 1.699 0.03 . 2 . . . . 88 E QB . 17289 1 292 . 1 1 33 33 GLU HB3 H 1 1.699 0.03 . 2 . . . . 88 E QB . 17289 1 293 . 1 1 33 33 GLU HG2 H 1 2.630 0.001 . 2 . . . . 88 E QG . 17289 1 294 . 1 1 33 33 GLU HG3 H 1 2.630 0.001 . 2 . . . . 88 E QG . 17289 1 295 . 1 1 33 33 GLU CA C 13 54.933 0.3 . 1 . . . . 88 E CA . 17289 1 296 . 1 1 33 33 GLU CB C 13 32.773 0.3 . 1 . . . . 88 E CB . 17289 1 297 . 1 1 33 33 GLU CG C 13 37.548 0.3 . 1 . . . . 88 E CG . 17289 1 298 . 1 1 33 33 GLU N N 15 132.288 0.3 . 1 . . . . 88 E N . 17289 1 299 . 1 1 34 34 VAL H H 1 8.898 0.003 . 1 . . . . 89 V H . 17289 1 300 . 1 1 34 34 VAL HA H 1 3.499 0.002 . 1 . . . . 89 V HA . 17289 1 301 . 1 1 34 34 VAL HB H 1 1.939 0.03 . 1 . . . . 89 V HB . 17289 1 302 . 1 1 34 34 VAL HG11 H 1 0.846 0.002 . 2 . . . . 89 V QG1 . 17289 1 303 . 1 1 34 34 VAL HG12 H 1 0.846 0.002 . 2 . . . . 89 V QG1 . 17289 1 304 . 1 1 34 34 VAL HG13 H 1 0.846 0.002 . 2 . . . . 89 V QG1 . 17289 1 305 . 1 1 34 34 VAL HG21 H 1 0.642 0.001 . 2 . . . . 89 V QG2 . 17289 1 306 . 1 1 34 34 VAL HG22 H 1 0.642 0.001 . 2 . . . . 89 V QG2 . 17289 1 307 . 1 1 34 34 VAL HG23 H 1 0.642 0.001 . 2 . . . . 89 V QG2 . 17289 1 308 . 1 1 34 34 VAL CA C 13 65.908 0.3 . 1 . . . . 89 V CA . 17289 1 309 . 1 1 34 34 VAL CB C 13 31.252 0.3 . 1 . . . . 89 V CB . 17289 1 310 . 1 1 34 34 VAL CG1 C 13 20.092 0.3 . 2 . . . . 89 V CG1 . 17289 1 311 . 1 1 34 34 VAL CG2 C 13 20.365 0.3 . 2 . . . . 89 V CG2 . 17289 1 312 . 1 1 34 34 VAL N N 15 119.206 0.3 . 1 . . . . 89 V N . 17289 1 313 . 1 1 35 35 GLU H H 1 9.457 0.001 . 1 . . . . 90 E H . 17289 1 314 . 1 1 35 35 GLU HA H 1 4.275 0.004 . 1 . . . . 90 E HA . 17289 1 315 . 1 1 35 35 GLU HB2 H 1 2.081 0.001 . 2 . . . . 90 E QB . 17289 1 316 . 1 1 35 35 GLU HB3 H 1 2.081 0.001 . 2 . . . . 90 E QB . 17289 1 317 . 1 1 35 35 GLU HG2 H 1 2.370 0.03 . 2 . . . . 90 E QG . 17289 1 318 . 1 1 35 35 GLU HG3 H 1 2.370 0.03 . 2 . . . . 90 E QG . 17289 1 319 . 1 1 35 35 GLU CA C 13 59.419 0.3 . 1 . . . . 90 E CA . 17289 1 320 . 1 1 35 35 GLU CB C 13 28.472 0.3 . 1 . . . . 90 E CB . 17289 1 321 . 1 1 35 35 GLU CG C 13 36.317 0.3 . 1 . . . . 90 E CG . 17289 1 322 . 1 1 35 35 GLU N N 15 118.546 0.3 . 1 . . . . 90 E N . 17289 1 323 . 1 1 36 36 GLU H H 1 7.161 0.003 . 1 . . . . 91 E H . 17289 1 324 . 1 1 36 36 GLU HA H 1 4.361 0.001 . 1 . . . . 91 E HA . 17289 1 325 . 1 1 36 36 GLU HB2 H 1 2.641 0.007 . 2 . . . . 91 E QB . 17289 1 326 . 1 1 36 36 GLU HB3 H 1 2.641 0.007 . 2 . . . . 91 E QB . 17289 1 327 . 1 1 36 36 GLU HG2 H 1 2.401 0.001 . 2 . . . . 91 E QG . 17289 1 328 . 1 1 36 36 GLU HG3 H 1 2.401 0.001 . 2 . . . . 91 E QG . 17289 1 329 . 1 1 36 36 GLU CA C 13 57.590 0.3 . 1 . . . . 91 E CA . 17289 1 330 . 1 1 36 36 GLU CB C 13 28.800 0.3 . 1 . . . . 91 E CB . 17289 1 331 . 1 1 36 36 GLU CG C 13 36.644 0.3 . 1 . . . . 91 E CG . 17289 1 332 . 1 1 36 36 GLU N N 15 118.835 0.3 . 1 . . . . 91 E N . 17289 1 333 . 1 1 37 37 SER H H 1 9.064 0.03 . 1 . . . . 92 S H . 17289 1 334 . 1 1 37 37 SER N N 15 118.386 0.3 . 1 . . . . 92 S N . 17289 1 335 . 1 1 38 38 ASP H H 1 8.071 0.03 . 1 . . . . 93 D H . 17289 1 336 . 1 1 38 38 ASP HA H 1 4.215 0.03 . 1 . . . . 93 D HA . 17289 1 337 . 1 1 38 38 ASP HB2 H 1 2.545 0.03 . 2 . . . . 93 D QB . 17289 1 338 . 1 1 38 38 ASP HB3 H 1 2.545 0.03 . 2 . . . . 93 D QB . 17289 1 339 . 1 1 38 38 ASP CA C 13 58.189 0.3 . 1 . . . . 93 D CA . 17289 1 340 . 1 1 38 38 ASP CB C 13 41.646 0.3 . 1 . . . . 93 D CB . 17289 1 341 . 1 1 38 38 ASP N N 15 122.496 0.3 . 1 . . . . 93 D N . 17289 1 342 . 1 1 39 39 GLU H H 1 7.336 0.03 . 1 . . . . 94 E H . 17289 1 343 . 1 1 39 39 GLU HA H 1 3.954 0.002 . 1 . . . . 94 E HA . 17289 1 344 . 1 1 39 39 GLU HB2 H 1 2.254 0.001 . 2 . . . . 94 E QB . 17289 1 345 . 1 1 39 39 GLU HB3 H 1 2.254 0.001 . 2 . . . . 94 E QB . 17289 1 346 . 1 1 39 39 GLU HG2 H 1 2.388 0.001 . 2 . . . . 94 E QG . 17289 1 347 . 1 1 39 39 GLU HG3 H 1 2.388 0.001 . 2 . . . . 94 E QG . 17289 1 348 . 1 1 39 39 GLU CA C 13 59.807 0.3 . 1 . . . . 94 E CA . 17289 1 349 . 1 1 39 39 GLU CB C 13 29.925 0.3 . 1 . . . . 94 E CB . 17289 1 350 . 1 1 39 39 GLU CG C 13 36.452 0.3 . 1 . . . . 94 E CG . 17289 1 351 . 1 1 39 39 GLU N N 15 116.529 0.3 . 1 . . . . 94 E N . 17289 1 352 . 1 1 40 40 PHE H H 1 8.029 0.003 . 1 . . . . 95 F H . 17289 1 353 . 1 1 40 40 PHE HA H 1 4.721 0.03 . 1 . . . . 95 F HA . 17289 1 354 . 1 1 40 40 PHE HB2 H 1 3.523 0.002 . 2 . . . . 95 F HB2 . 17289 1 355 . 1 1 40 40 PHE HB3 H 1 3.208 0.006 . 2 . . . . 95 F HB3 . 17289 1 356 . 1 1 40 40 PHE HD1 H 1 7.275 0.3 . 3 . . . . 95 F H . 17289 1 357 . 1 1 40 40 PHE HD2 H 1 7.275 0.3 . 3 . . . . 95 F H . 17289 1 358 . 1 1 40 40 PHE HE1 H 1 7.275 0.3 . 3 . . . . 95 F H . 17289 1 359 . 1 1 40 40 PHE HE2 H 1 7.275 0.3 . 3 . . . . 95 F H . 17289 1 360 . 1 1 40 40 PHE HZ H 1 7.275 0.3 . 1 . . . . 95 F H . 17289 1 361 . 1 1 40 40 PHE CA C 13 60.785 0.3 . 1 . . . . 95 F CA . 17289 1 362 . 1 1 40 40 PHE CB C 13 40.269 0.003 . 1 . . . . 95 F CB . 17289 1 363 . 1 1 40 40 PHE N N 15 120.042 0.3 . 1 . . . . 95 F N . 17289 1 364 . 1 1 41 41 ILE H H 1 8.876 0.03 . 1 . . . . 96 I H . 17289 1 365 . 1 1 41 41 ILE HA H 1 3.561 0.002 . 1 . . . . 96 I HA . 17289 1 366 . 1 1 41 41 ILE HB H 1 2.100 0.003 . 1 . . . . 96 I HB . 17289 1 367 . 1 1 41 41 ILE HG12 H 1 2.329 0.003 . 2 . . . . 96 I HG12 . 17289 1 368 . 1 1 41 41 ILE HG13 H 1 1.173 0.001 . 2 . . . . 96 I HG13 . 17289 1 369 . 1 1 41 41 ILE HG21 H 1 0.966 0.03 . 1 . . . . 96 I QG2 . 17289 1 370 . 1 1 41 41 ILE HG22 H 1 0.966 0.03 . 1 . . . . 96 I QG2 . 17289 1 371 . 1 1 41 41 ILE HG23 H 1 0.966 0.03 . 1 . . . . 96 I QG2 . 17289 1 372 . 1 1 41 41 ILE HD11 H 1 0.969 0.03 . 1 . . . . 96 I QD1 . 17289 1 373 . 1 1 41 41 ILE HD12 H 1 0.969 0.03 . 1 . . . . 96 I QD1 . 17289 1 374 . 1 1 41 41 ILE HD13 H 1 0.969 0.03 . 1 . . . . 96 I QD1 . 17289 1 375 . 1 1 41 41 ILE CA C 13 65.230 0.3 . 1 . . . . 96 I CA . 17289 1 376 . 1 1 41 41 ILE CB C 13 39.073 0.3 . 1 . . . . 96 I CB . 17289 1 377 . 1 1 41 41 ILE CG1 C 13 30.472 0.005 . 1 . . . . 96 I CG1 . 17289 1 378 . 1 1 41 41 ILE CG2 C 13 18.848 0.3 . 1 . . . . 96 I CG2 . 17289 1 379 . 1 1 41 41 ILE CD1 C 13 14.742 0.3 . 1 . . . . 96 I CD1 . 17289 1 380 . 1 1 41 41 ILE N N 15 119.558 0.3 . 1 . . . . 96 I N . 17289 1 381 . 1 1 42 42 ARG H H 1 7.868 0.001 . 1 . . . . 97 R H . 17289 1 382 . 1 1 42 42 ARG HA H 1 4.349 0.002 . 1 . . . . 97 R HA . 17289 1 383 . 1 1 42 42 ARG HB2 H 1 1.820 0.03 . 2 . . . . 97 R QB . 17289 1 384 . 1 1 42 42 ARG HB3 H 1 1.820 0.03 . 2 . . . . 97 R QB . 17289 1 385 . 1 1 42 42 ARG HG2 H 1 1.539 0.03 . 2 . . . . 97 R QG . 17289 1 386 . 1 1 42 42 ARG HG3 H 1 1.539 0.03 . 2 . . . . 97 R QG . 17289 1 387 . 1 1 42 42 ARG HD2 H 1 3.273 0.003 . 2 . . . . 97 R HD2 . 17289 1 388 . 1 1 42 42 ARG HD3 H 1 3.190 0.03 . 2 . . . . 97 R HD3 . 17289 1 389 . 1 1 42 42 ARG CA C 13 59.009 0.3 . 1 . . . . 97 R CA . 17289 1 390 . 1 1 42 42 ARG CB C 13 31.941 0.3 . 1 . . . . 97 R CB . 17289 1 391 . 1 1 42 42 ARG CG C 13 28.858 0.3 . 1 . . . . 97 R CG . 17289 1 392 . 1 1 42 42 ARG CD C 13 42.954 0.002 . 1 . . . . 97 R CD . 17289 1 393 . 1 1 42 42 ARG N N 15 116.058 0.3 . 1 . . . . 97 R N . 17289 1 394 . 1 1 43 43 GLU H H 1 8.839 0.002 . 1 . . . . 98 E H . 17289 1 395 . 1 1 43 43 GLU HA H 1 4.318 0.03 . 1 . . . . 98 E HA . 17289 1 396 . 1 1 43 43 GLU HB2 H 1 2.001 0.03 . 2 . . . . 98 E HB2 . 17289 1 397 . 1 1 43 43 GLU HB3 H 1 2.123 0.03 . 2 . . . . 98 E HB3 . 17289 1 398 . 1 1 43 43 GLU HG2 H 1 2.396 0.03 . 2 . . . . 98 E HG2 . 17289 1 399 . 1 1 43 43 GLU HG3 H 1 2.210 0.03 . 2 . . . . 98 E HG3 . 17289 1 400 . 1 1 43 43 GLU CA C 13 57.505 0.3 . 1 . . . . 98 E CA . 17289 1 401 . 1 1 43 43 GLU CB C 13 29.963 0.3 . 1 . . . . 98 E CB . 17289 1 402 . 1 1 43 43 GLU CG C 13 35.903 0.3 . 1 . . . . 98 E CG . 17289 1 403 . 1 1 43 43 GLU N N 15 116.058 0.3 . 1 . . . . 98 E N . 17289 1 404 . 1 1 44 44 ASP H H 1 8.016 0.03 . 1 . . . . 99 D H . 17289 1 405 . 1 1 44 44 ASP HA H 1 4.394 0.03 . 1 . . . . 99 D HA . 17289 1 406 . 1 1 44 44 ASP HB2 H 1 1.995 0.03 . 2 . . . . 99 D HB2 . 17289 1 407 . 1 1 44 44 ASP HB3 H 1 1.907 0.002 . 2 . . . . 99 D HB3 . 17289 1 408 . 1 1 44 44 ASP CA C 13 56.617 0.3 . 1 . . . . 99 D CA . 17289 1 409 . 1 1 44 44 ASP CB C 13 40.263 0.001 . 1 . . . . 99 D CB . 17289 1 410 . 1 1 44 44 ASP N N 15 119.675 0.3 . 1 . . . . 99 D N . 17289 1 411 . 1 1 45 45 MET H H 1 7.656 0.03 . 1 . . . . 100 M H . 17289 1 412 . 1 1 45 45 MET HA H 1 4.124 0.005 . 1 . . . . 100 M HA . 17289 1 413 . 1 1 45 45 MET HB2 H 1 2.196 0.03 . 2 . . . . 100 M QB . 17289 1 414 . 1 1 45 45 MET HB3 H 1 2.196 0.03 . 2 . . . . 100 M QB . 17289 1 415 . 1 1 45 45 MET HG2 H 1 2.126 0.001 . 2 . . . . 100 M QG . 17289 1 416 . 1 1 45 45 MET HG3 H 1 2.126 0.001 . 2 . . . . 100 M QG . 17289 1 417 . 1 1 45 45 MET HE1 H 1 2.082 0.002 . 1 . . . . 100 M QE . 17289 1 418 . 1 1 45 45 MET HE2 H 1 2.082 0.002 . 1 . . . . 100 M QE . 17289 1 419 . 1 1 45 45 MET HE3 H 1 2.082 0.002 . 1 . . . . 100 M QE . 17289 1 420 . 1 1 45 45 MET CA C 13 55.735 0.3 . 1 . . . . 100 M CA . 17289 1 421 . 1 1 45 45 MET CB C 13 32.075 0.3 . 1 . . . . 100 M CB . 17289 1 422 . 1 1 45 45 MET CG C 13 32.425 0.3 . 1 . . . . 100 M CG . 17289 1 423 . 1 1 45 45 MET CE C 13 16.736 0.3 . 1 . . . . 100 M CE . 17289 1 424 . 1 1 45 45 MET N N 15 113.800 0.3 . 1 . . . . 100 M N . 17289 1 425 . 1 1 46 46 LYS H H 1 6.510 0.003 . 1 . . . . 101 K H . 17289 1 426 . 1 1 46 46 LYS HA H 1 3.875 0.03 . 1 . . . . 101 K HA . 17289 1 427 . 1 1 46 46 LYS HB2 H 1 1.933 0.001 . 2 . . . . 101 K HB2 . 17289 1 428 . 1 1 46 46 LYS HB3 H 1 1.840 0.03 . 2 . . . . 101 K HB3 . 17289 1 429 . 1 1 46 46 LYS HG2 H 1 1.130 0.001 . 2 . . . . 101 K QG . 17289 1 430 . 1 1 46 46 LYS HG3 H 1 1.130 0.001 . 2 . . . . 101 K QG . 17289 1 431 . 1 1 46 46 LYS HD2 H 1 1.647 0.03 . 2 . . . . 101 K HD2 . 17289 1 432 . 1 1 46 46 LYS HD3 H 1 1.541 0.002 . 2 . . . . 101 K HD3 . 17289 1 433 . 1 1 46 46 LYS HE2 H 1 3.000 0.03 . 2 . . . . 101 K QE . 17289 1 434 . 1 1 46 46 LYS HE3 H 1 3.000 0.03 . 2 . . . . 101 K QE . 17289 1 435 . 1 1 46 46 LYS CA C 13 56.480 0.3 . 1 . . . . 101 K CA . 17289 1 436 . 1 1 46 46 LYS CB C 13 28.502 0.3 . 1 . . . . 101 K CB . 17289 1 437 . 1 1 46 46 LYS CG C 13 24.715 0.3 . 1 . . . . 101 K CG . 17289 1 438 . 1 1 46 46 LYS CD C 13 27.965 0.092 . 1 . . . . 101 K CD . 17289 1 439 . 1 1 46 46 LYS CE C 13 42.201 0.3 . 1 . . . . 101 K CE . 17289 1 440 . 1 1 46 46 LYS N N 15 109.552 0.3 . 1 . . . . 101 K N . 17289 1 441 . 1 1 47 47 TYR H H 1 8.012 0.001 . 1 . . . . 102 Y H . 17289 1 442 . 1 1 47 47 TYR HA H 1 4.662 0.005 . 1 . . . . 102 Y HA . 17289 1 443 . 1 1 47 47 TYR HB2 H 1 2.855 0.001 . 2 . . . . 102 Y HB2 . 17289 1 444 . 1 1 47 47 TYR HB3 H 1 2.756 0.001 . 2 . . . . 102 Y HB3 . 17289 1 445 . 1 1 47 47 TYR HD1 H 1 7.027 0.03 . 3 . . . . 102 Y QD . 17289 1 446 . 1 1 47 47 TYR HD2 H 1 7.027 0.03 . 3 . . . . 102 Y QD . 17289 1 447 . 1 1 47 47 TYR HE1 H 1 6.836 0.03 . 3 . . . . 102 Y QE . 17289 1 448 . 1 1 47 47 TYR HE2 H 1 6.836 0.03 . 3 . . . . 102 Y QE . 17289 1 449 . 1 1 47 47 TYR CA C 13 57.095 0.3 . 1 . . . . 102 Y CA . 17289 1 450 . 1 1 47 47 TYR CB C 13 37.688 0.003 . 1 . . . . 102 Y CB . 17289 1 451 . 1 1 47 47 TYR N N 15 118.822 0.3 . 1 . . . . 102 Y N . 17289 1 452 . 1 1 48 48 LYS H H 1 8.571 0.03 . 1 . . . . 103 K H . 17289 1 453 . 1 1 48 48 LYS HA H 1 4.185 0.001 . 1 . . . . 103 K HA . 17289 1 454 . 1 1 48 48 LYS HB2 H 1 1.828 0.001 . 2 . . . . 103 K QB . 17289 1 455 . 1 1 48 48 LYS HB3 H 1 1.828 0.001 . 2 . . . . 103 K QB . 17289 1 456 . 1 1 48 48 LYS HG2 H 1 1.524 0.001 . 2 . . . . 103 K HG2 . 17289 1 457 . 1 1 48 48 LYS HG3 H 1 1.448 0.001 . 2 . . . . 103 K HG3 . 17289 1 458 . 1 1 48 48 LYS HD2 H 1 1.698 0.03 . 2 . . . . 103 K QD . 17289 1 459 . 1 1 48 48 LYS HD3 H 1 1.698 0.03 . 2 . . . . 103 K QD . 17289 1 460 . 1 1 48 48 LYS HE2 H 1 3.000 0.002 . 2 . . . . 103 K QE . 17289 1 461 . 1 1 48 48 LYS HE3 H 1 3.000 0.002 . 2 . . . . 103 K QE . 17289 1 462 . 1 1 48 48 LYS CA C 13 57.472 0.3 . 1 . . . . 103 K CA . 17289 1 463 . 1 1 48 48 LYS CB C 13 32.274 0.3 . 1 . . . . 103 K CB . 17289 1 464 . 1 1 48 48 LYS CG C 13 24.574 0.004 . 1 . . . . 103 K CG . 17289 1 465 . 1 1 48 48 LYS CD C 13 27.116 0.3 . 1 . . . . 103 K CD . 17289 1 466 . 1 1 48 48 LYS CE C 13 41.903 0.3 . 1 . . . . 103 K CE . 17289 1 467 . 1 1 48 48 LYS N N 15 122.370 0.3 . 1 . . . . 103 K N . 17289 1 468 . 1 1 49 49 ASP H H 1 7.085 0.03 . 1 . . . . 104 D H . 17289 1 469 . 1 1 49 49 ASP HA H 1 4.672 0.004 . 1 . . . . 104 D HA . 17289 1 470 . 1 1 49 49 ASP HB2 H 1 2.781 0.004 . 2 . . . . 104 D HB2 . 17289 1 471 . 1 1 49 49 ASP HB3 H 1 2.561 0.03 . 2 . . . . 104 D HB3 . 17289 1 472 . 1 1 49 49 ASP CA C 13 53.405 0.3 . 1 . . . . 104 D CA . 17289 1 473 . 1 1 49 49 ASP CB C 13 40.486 0.005 . 1 . . . . 104 D CB . 17289 1 474 . 1 1 49 49 ASP N N 15 118.738 0.3 . 1 . . . . 104 D N . 17289 1 475 . 1 1 50 50 ALA H H 1 8.315 0.001 . 1 . . . . 105 A H . 17289 1 476 . 1 1 50 50 ALA HA H 1 4.167 0.003 . 1 . . . . 105 A HA . 17289 1 477 . 1 1 50 50 ALA HB1 H 1 1.383 0.002 . 1 . . . . 105 A QB . 17289 1 478 . 1 1 50 50 ALA HB2 H 1 1.383 0.002 . 1 . . . . 105 A QB . 17289 1 479 . 1 1 50 50 ALA HB3 H 1 1.383 0.002 . 1 . . . . 105 A QB . 17289 1 480 . 1 1 50 50 ALA CA C 13 53.269 0.3 . 1 . . . . 105 A CA . 17289 1 481 . 1 1 50 50 ALA CB C 13 19.559 0.3 . 1 . . . . 105 A CB . 17289 1 482 . 1 1 50 50 ALA N N 15 123.004 0.3 . 1 . . . . 105 A N . 17289 1 483 . 1 1 51 51 THR H H 1 8.250 0.03 . 1 . . . . 106 T H . 17289 1 484 . 1 1 51 51 THR HA H 1 4.130 0.03 . 1 . . . . 106 T HA . 17289 1 485 . 1 1 51 51 THR HB H 1 4.206 0.001 . 1 . . . . 106 T HB . 17289 1 486 . 1 1 51 51 THR HG21 H 1 0.935 0.03 . 1 . . . . 106 T QG2 . 17289 1 487 . 1 1 51 51 THR HG22 H 1 0.935 0.03 . 1 . . . . 106 T QG2 . 17289 1 488 . 1 1 51 51 THR HG23 H 1 0.935 0.03 . 1 . . . . 106 T QG2 . 17289 1 489 . 1 1 51 51 THR CA C 13 63.861 0.3 . 1 . . . . 106 T CA . 17289 1 490 . 1 1 51 51 THR CB C 13 68.783 0.3 . 1 . . . . 106 T CB . 17289 1 491 . 1 1 51 51 THR CG2 C 13 22.443 0.3 . 1 . . . . 106 T CG2 . 17289 1 492 . 1 1 51 51 THR N N 15 113.699 0.3 . 1 . . . . 106 T N . 17289 1 493 . 1 1 52 52 ASN HA H 1 4.502 0.002 . 1 . . . . 107 N HA . 17289 1 494 . 1 1 52 52 ASN HB2 H 1 2.768 0.03 . 2 . . . . 107 N QB . 17289 1 495 . 1 1 52 52 ASN HB3 H 1 2.768 0.03 . 2 . . . . 107 N QB . 17289 1 496 . 1 1 52 52 ASN CA C 13 55.571 0.3 . 1 . . . . 107 N CA . 17289 1 497 . 1 1 52 52 ASN CB C 13 37.683 0.3 . 1 . . . . 107 N CB . 17289 1 498 . 1 1 54 54 HIS HA H 1 3.923 0.001 . 1 . . . . 109 H HA . 17289 1 499 . 1 1 54 54 HIS HB2 H 1 1.973 0.002 . 2 . . . . 109 H QB . 17289 1 500 . 1 1 54 54 HIS HB3 H 1 1.973 0.002 . 2 . . . . 109 H QB . 17289 1 501 . 1 1 54 54 HIS CA C 13 59.189 0.3 . 1 . . . . 109 H CA . 17289 1 502 . 1 1 54 54 HIS CB C 13 31.590 0.3 . 1 . . . . 109 H CB . 17289 1 503 . 1 1 55 55 SER H H 1 8.345 0.03 . 1 . . . . 110 S H . 17289 1 504 . 1 1 55 55 SER HA H 1 4.481 0.03 . 1 . . . . 110 S HA . 17289 1 505 . 1 1 55 55 SER HB2 H 1 3.905 0.001 . 2 . . . . 110 S QB . 17289 1 506 . 1 1 55 55 SER HB3 H 1 3.905 0.001 . 2 . . . . 110 S QB . 17289 1 507 . 1 1 55 55 SER CA C 13 60.852 0.3 . 1 . . . . 110 S CA . 17289 1 508 . 1 1 55 55 SER CB C 13 62.630 0.3 . 1 . . . . 110 S CB . 17289 1 509 . 1 1 55 55 SER N N 15 119.700 0.3 . 1 . . . . 110 S N . 17289 1 510 . 1 1 56 56 HIS H H 1 7.830 0.03 . 1 . . . . 111 H H . 17289 1 511 . 1 1 56 56 HIS HA H 1 4.386 0.005 . 1 . . . . 111 H HA . 17289 1 512 . 1 1 56 56 HIS HB2 H 1 3.263 0.002 . 2 . . . . 111 H QB . 17289 1 513 . 1 1 56 56 HIS HB3 H 1 3.263 0.002 . 2 . . . . 111 H QB . 17289 1 514 . 1 1 56 56 HIS CA C 13 59.141 0.3 . 1 . . . . 111 H CA . 17289 1 515 . 1 1 56 56 HIS CB C 13 30.813 0.3 . 1 . . . . 111 H CB . 17289 1 516 . 1 1 56 56 HIS N N 15 121.400 0.3 . 1 . . . . 111 H N . 17289 1 517 . 1 1 57 57 LEU H H 1 8.086 0.03 . 1 . . . . 112 L H . 17289 1 518 . 1 1 57 57 LEU HA H 1 4.062 0.002 . 1 . . . . 112 L HA . 17289 1 519 . 1 1 57 57 LEU HB2 H 1 1.913 0.03 . 2 . . . . 112 L QB . 17289 1 520 . 1 1 57 57 LEU HB3 H 1 1.913 0.03 . 2 . . . . 112 L QB . 17289 1 521 . 1 1 57 57 LEU HG H 1 0.823 0.002 . 1 . . . . 112 L HG . 17289 1 522 . 1 1 57 57 LEU HD11 H 1 0.725 0.001 . 2 . . . . 112 L QD1 . 17289 1 523 . 1 1 57 57 LEU HD12 H 1 0.725 0.001 . 2 . . . . 112 L QD1 . 17289 1 524 . 1 1 57 57 LEU HD13 H 1 0.725 0.001 . 2 . . . . 112 L QD1 . 17289 1 525 . 1 1 57 57 LEU HD21 H 1 0.672 0.001 . 2 . . . . 112 L QD2 . 17289 1 526 . 1 1 57 57 LEU HD22 H 1 0.672 0.001 . 2 . . . . 112 L QD2 . 17289 1 527 . 1 1 57 57 LEU HD23 H 1 0.672 0.001 . 2 . . . . 112 L QD2 . 17289 1 528 . 1 1 57 57 LEU CA C 13 57.733 0.3 . 1 . . . . 112 L CA . 17289 1 529 . 1 1 57 57 LEU CB C 13 42.228 0.033 . 1 . . . . 112 L CB . 17289 1 530 . 1 1 57 57 LEU CG C 13 26.269 0.3 . 1 . . . . 112 L CG . 17289 1 531 . 1 1 57 57 LEU CD1 C 13 26.092 0.3 . 2 . . . . 112 L CD1 . 17289 1 532 . 1 1 57 57 LEU CD2 C 13 22.607 0.3 . 2 . . . . 112 L CD2 . 17289 1 533 . 1 1 57 57 LEU N N 15 120.613 0.3 . 1 . . . . 112 L N . 17289 1 534 . 1 1 58 58 HIS H H 1 7.411 0.001 . 1 . . . . 113 H H . 17289 1 535 . 1 1 58 58 HIS HA H 1 4.832 0.03 . 1 . . . . 113 H HA . 17289 1 536 . 1 1 58 58 HIS HB2 H 1 3.195 0.03 . 2 . . . . 113 H HB2 . 17289 1 537 . 1 1 58 58 HIS HB3 H 1 2.697 0.007 . 2 . . . . 113 H HB3 . 17289 1 538 . 1 1 58 58 HIS CA C 13 55.881 0.3 . 1 . . . . 113 H CA . 17289 1 539 . 1 1 58 58 HIS CB C 13 28.459 0.005 . 1 . . . . 113 H CB . 17289 1 540 . 1 1 58 58 HIS N N 15 111.313 0.3 . 1 . . . . 113 H N . 17289 1 541 . 1 1 59 59 ARG H H 1 7.572 0.001 . 1 . . . . 114 R H . 17289 1 542 . 1 1 59 59 ARG HA H 1 3.955 0.001 . 1 . . . . 114 R HA . 17289 1 543 . 1 1 59 59 ARG HB2 H 1 1.825 0.002 . 2 . . . . 114 R QB . 17289 1 544 . 1 1 59 59 ARG HB3 H 1 1.825 0.002 . 2 . . . . 114 R QB . 17289 1 545 . 1 1 59 59 ARG HG2 H 1 1.648 0.004 . 2 . . . . 114 R QG . 17289 1 546 . 1 1 59 59 ARG HG3 H 1 1.648 0.004 . 2 . . . . 114 R QG . 17289 1 547 . 1 1 59 59 ARG HD2 H 1 3.185 0.002 . 2 . . . . 114 R QD . 17289 1 548 . 1 1 59 59 ARG HD3 H 1 3.185 0.002 . 2 . . . . 114 R QD . 17289 1 549 . 1 1 59 59 ARG CA C 13 59.663 0.3 . 1 . . . . 114 R CA . 17289 1 550 . 1 1 59 59 ARG CB C 13 29.355 0.3 . 1 . . . . 114 R CB . 17289 1 551 . 1 1 59 59 ARG CG C 13 26.541 0.3 . 1 . . . . 114 R CG . 17289 1 552 . 1 1 59 59 ARG CD C 13 43.158 0.3 . 1 . . . . 114 R CD . 17289 1 553 . 1 1 59 59 ARG N N 15 121.834 0.3 . 1 . . . . 114 R N . 17289 1 554 . 1 1 60 60 GLU H H 1 8.679 0.002 . 1 . . . . 115 E H . 17289 1 555 . 1 1 60 60 GLU HA H 1 4.497 0.003 . 1 . . . . 115 E HA . 17289 1 556 . 1 1 60 60 GLU HB2 H 1 2.132 0.002 . 2 . . . . 115 E HB2 . 17289 1 557 . 1 1 60 60 GLU HB3 H 1 1.846 0.001 . 2 . . . . 115 E HB3 . 17289 1 558 . 1 1 60 60 GLU HG2 H 1 2.179 0.03 . 2 . . . . 115 E QG . 17289 1 559 . 1 1 60 60 GLU HG3 H 1 2.179 0.03 . 2 . . . . 115 E QG . 17289 1 560 . 1 1 60 60 GLU CA C 13 55.934 0.3 . 1 . . . . 115 E CA . 17289 1 561 . 1 1 60 60 GLU CB C 13 31.051 0.012 . 1 . . . . 115 E CB . 17289 1 562 . 1 1 60 60 GLU CG C 13 36.328 0.3 . 1 . . . . 115 E CG . 17289 1 563 . 1 1 60 60 GLU N N 15 114.570 0.3 . 1 . . . . 115 E N . 17289 1 564 . 1 1 61 61 ASP H H 1 7.993 0.002 . 1 . . . . 116 D H . 17289 1 565 . 1 1 61 61 ASP HA H 1 4.748 0.003 . 1 . . . . 116 D HA . 17289 1 566 . 1 1 61 61 ASP HB2 H 1 2.920 0.003 . 2 . . . . 116 D HB2 . 17289 1 567 . 1 1 61 61 ASP HB3 H 1 2.461 0.001 . 2 . . . . 116 D HB3 . 17289 1 568 . 1 1 61 61 ASP CA C 13 53.610 0.3 . 1 . . . . 116 D CA . 17289 1 569 . 1 1 61 61 ASP CB C 13 41.656 0.038 . 1 . . . . 116 D CB . 17289 1 570 . 1 1 61 61 ASP N N 15 120.215 0.3 . 1 . . . . 116 D N . 17289 1 571 . 1 1 62 62 LYS H H 1 9.087 0.03 . 1 . . . . 117 K H . 17289 1 572 . 1 1 62 62 LYS HA H 1 4.271 0.03 . 1 . . . . 117 K HA . 17289 1 573 . 1 1 62 62 LYS HB2 H 1 2.189 0.004 . 2 . . . . 117 K QB . 17289 1 574 . 1 1 62 62 LYS HB3 H 1 2.189 0.004 . 2 . . . . 117 K QB . 17289 1 575 . 1 1 62 62 LYS HG2 H 1 1.585 0.001 . 2 . . . . 117 K HG2 . 17289 1 576 . 1 1 62 62 LYS HG3 H 1 1.433 0.03 . 2 . . . . 117 K HG3 . 17289 1 577 . 1 1 62 62 LYS HD2 H 1 1.639 0.03 . 2 . . . . 117 K QD . 17289 1 578 . 1 1 62 62 LYS HD3 H 1 1.639 0.03 . 2 . . . . 117 K QD . 17289 1 579 . 1 1 62 62 LYS HE2 H 1 2.974 0.03 . 2 . . . . 117 K QE . 17289 1 580 . 1 1 62 62 LYS HE3 H 1 2.974 0.03 . 2 . . . . 117 K QE . 17289 1 581 . 1 1 62 62 LYS CA C 13 55.387 0.3 . 1 . . . . 117 K CA . 17289 1 582 . 1 1 62 62 LYS CB C 13 32.075 0.3 . 1 . . . . 117 K CB . 17289 1 583 . 1 1 62 62 LYS CG C 13 25.308 0.014 . 1 . . . . 117 K CG . 17289 1 584 . 1 1 62 62 LYS CD C 13 28.056 0.3 . 1 . . . . 117 K CD . 17289 1 585 . 1 1 62 62 LYS CE C 13 42.133 0.3 . 1 . . . . 117 K CE . 17289 1 586 . 1 1 62 62 LYS N N 15 125.300 0.3 . 1 . . . . 117 K N . 17289 1 587 . 1 1 63 63 HIS H H 1 8.790 0.003 . 1 . . . . 118 H H . 17289 1 588 . 1 1 63 63 HIS HA H 1 4.499 0.03 . 1 . . . . 118 H HA . 17289 1 589 . 1 1 63 63 HIS HB2 H 1 3.287 0.005 . 2 . . . . 118 H QB . 17289 1 590 . 1 1 63 63 HIS HB3 H 1 3.287 0.005 . 2 . . . . 118 H QB . 17289 1 591 . 1 1 63 63 HIS CA C 13 57.095 0.3 . 1 . . . . 118 H CA . 17289 1 592 . 1 1 63 63 HIS CB C 13 30.892 0.3 . 1 . . . . 118 H CB . 17289 1 593 . 1 1 63 63 HIS N N 15 122.550 0.3 . 1 . . . . 118 H N . 17289 1 594 . 1 1 64 64 ILE H H 1 8.995 0.03 . 1 . . . . 119 I H . 17289 1 595 . 1 1 64 64 ILE HA H 1 4.560 0.003 . 1 . . . . 119 I HA . 17289 1 596 . 1 1 64 64 ILE HB H 1 1.955 0.002 . 1 . . . . 119 I HB . 17289 1 597 . 1 1 64 64 ILE HG12 H 1 1.440 0.001 . 2 . . . . 119 I HG12 . 17289 1 598 . 1 1 64 64 ILE HG13 H 1 0.904 0.03 . 2 . . . . 119 I HG13 . 17289 1 599 . 1 1 64 64 ILE HG21 H 1 0.983 0.03 . 1 . . . . 119 I QG2 . 17289 1 600 . 1 1 64 64 ILE HG22 H 1 0.983 0.03 . 1 . . . . 119 I QG2 . 17289 1 601 . 1 1 64 64 ILE HG23 H 1 0.983 0.03 . 1 . . . . 119 I QG2 . 17289 1 602 . 1 1 64 64 ILE HD11 H 1 0.464 0.03 . 1 . . . . 119 I QD1 . 17289 1 603 . 1 1 64 64 ILE HD12 H 1 0.464 0.03 . 1 . . . . 119 I QD1 . 17289 1 604 . 1 1 64 64 ILE HD13 H 1 0.464 0.03 . 1 . . . . 119 I QD1 . 17289 1 605 . 1 1 64 64 ILE CA C 13 61.706 0.3 . 1 . . . . 119 I CA . 17289 1 606 . 1 1 64 64 ILE CB C 13 38.986 0.3 . 1 . . . . 119 I CB . 17289 1 607 . 1 1 64 64 ILE CG1 C 13 27.424 0.002 . 1 . . . . 119 I CG1 . 17289 1 608 . 1 1 64 64 ILE CG2 C 13 17.577 0.3 . 1 . . . . 119 I CG2 . 17289 1 609 . 1 1 64 64 ILE CD1 C 13 13.149 0.3 . 1 . . . . 119 I CD1 . 17289 1 610 . 1 1 64 64 ILE N N 15 130.354 0.3 . 1 . . . . 119 I N . 17289 1 611 . 1 1 65 65 THR H H 1 10.003 0.03 . 1 . . . . 120 T H . 17289 1 612 . 1 1 65 65 THR HA H 1 5.302 0.002 . 1 . . . . 120 T HA . 17289 1 613 . 1 1 65 65 THR HB H 1 4.856 0.003 . 1 . . . . 120 T HB . 17289 1 614 . 1 1 65 65 THR HG21 H 1 1.453 0.003 . 1 . . . . 120 T QG2 . 17289 1 615 . 1 1 65 65 THR HG22 H 1 1.453 0.003 . 1 . . . . 120 T QG2 . 17289 1 616 . 1 1 65 65 THR HG23 H 1 1.453 0.003 . 1 . . . . 120 T QG2 . 17289 1 617 . 1 1 65 65 THR CA C 13 61.605 0.3 . 1 . . . . 120 T CA . 17289 1 618 . 1 1 65 65 THR CB C 13 71.746 0.3 . 1 . . . . 120 T CB . 17289 1 619 . 1 1 65 65 THR CG2 C 13 21.705 0.3 . 1 . . . . 120 T CG2 . 17289 1 620 . 1 1 65 65 THR N N 15 127.292 0.3 . 1 . . . . 120 T N . 17289 1 621 . 1 1 66 66 ILE H H 1 9.154 0.001 . 1 . . . . 121 I H . 17289 1 622 . 1 1 66 66 ILE HA H 1 3.787 0.005 . 1 . . . . 121 I HA . 17289 1 623 . 1 1 66 66 ILE HB H 1 1.139 0.001 . 1 . . . . 121 I HB . 17289 1 624 . 1 1 66 66 ILE HG12 H 1 1.064 0.03 . 2 . . . . 121 I HG12 . 17289 1 625 . 1 1 66 66 ILE HG13 H 1 0.863 0.001 . 2 . . . . 121 I HG13 . 17289 1 626 . 1 1 66 66 ILE HG21 H 1 0.771 0.003 . 1 . . . . 121 I QG2 . 17289 1 627 . 1 1 66 66 ILE HG22 H 1 0.771 0.003 . 1 . . . . 121 I QG2 . 17289 1 628 . 1 1 66 66 ILE HG23 H 1 0.771 0.003 . 1 . . . . 121 I QG2 . 17289 1 629 . 1 1 66 66 ILE HD11 H 1 0.796 0.001 . 1 . . . . 121 I QD1 . 17289 1 630 . 1 1 66 66 ILE HD12 H 1 0.796 0.001 . 1 . . . . 121 I QD1 . 17289 1 631 . 1 1 66 66 ILE HD13 H 1 0.796 0.001 . 1 . . . . 121 I QD1 . 17289 1 632 . 1 1 66 66 ILE CA C 13 62.216 0.3 . 1 . . . . 121 I CA . 17289 1 633 . 1 1 66 66 ILE CB C 13 36.931 0.3 . 1 . . . . 121 I CB . 17289 1 634 . 1 1 66 66 ILE CG1 C 13 29.220 0.3 . 1 . . . . 121 I CG1 . 17289 1 635 . 1 1 66 66 ILE CG2 C 13 18.392 0.3 . 1 . . . . 121 I CG2 . 17289 1 636 . 1 1 66 66 ILE CD1 C 13 13.697 0.3 . 1 . . . . 121 I CD1 . 17289 1 637 . 1 1 66 66 ILE N N 15 121.457 0.3 . 1 . . . . 121 I N . 17289 1 638 . 1 1 67 67 GLU H H 1 8.286 0.002 . 1 . . . . 122 E H . 17289 1 639 . 1 1 67 67 GLU HA H 1 4.046 0.002 . 1 . . . . 122 E HA . 17289 1 640 . 1 1 67 67 GLU HB2 H 1 1.944 0.03 . 2 . . . . 122 E HB2 . 17289 1 641 . 1 1 67 67 GLU HB3 H 1 2.030 0.03 . 2 . . . . 122 E HB3 . 17289 1 642 . 1 1 67 67 GLU HG2 H 1 2.261 0.001 . 2 . . . . 122 E HG2 . 17289 1 643 . 1 1 67 67 GLU HG3 H 1 2.424 0.004 . 2 . . . . 122 E HG3 . 17289 1 644 . 1 1 67 67 GLU CA C 13 60.512 0.3 . 1 . . . . 122 E CA . 17289 1 645 . 1 1 67 67 GLU CB C 13 28.495 0.002 . 1 . . . . 122 E CB . 17289 1 646 . 1 1 67 67 GLU CG C 13 36.958 0.002 . 1 . . . . 122 E CG . 17289 1 647 . 1 1 67 67 GLU N N 15 122.547 0.3 . 1 . . . . 122 E N . 17289 1 648 . 1 1 68 68 ASP H H 1 7.800 0.004 . 1 . . . . 123 D H . 17289 1 649 . 1 1 68 68 ASP HA H 1 4.321 0.03 . 1 . . . . 123 D HA . 17289 1 650 . 1 1 68 68 ASP HB2 H 1 3.213 0.003 . 2 . . . . 123 D HB2 . 17289 1 651 . 1 1 68 68 ASP HB3 H 1 2.808 0.03 . 2 . . . . 123 D HB3 . 17289 1 652 . 1 1 68 68 ASP CA C 13 56.754 0.3 . 1 . . . . 123 D CA . 17289 1 653 . 1 1 68 68 ASP CB C 13 41.071 0.020 . 1 . . . . 123 D CB . 17289 1 654 . 1 1 68 68 ASP N N 15 120.047 0.3 . 1 . . . . 123 D N . 17289 1 655 . 1 1 69 69 LEU H H 1 8.688 0.03 . 1 . . . . 124 L H . 17289 1 656 . 1 1 69 69 LEU HA H 1 3.953 0.002 . 1 . . . . 124 L HA . 17289 1 657 . 1 1 69 69 LEU HB2 H 1 2.029 0.002 . 2 . . . . 124 L HB2 . 17289 1 658 . 1 1 69 69 LEU HB3 H 1 1.504 0.03 . 2 . . . . 124 L HB3 . 17289 1 659 . 1 1 69 69 LEU HG H 1 1.675 0.03 . 1 . . . . 124 L HG . 17289 1 660 . 1 1 69 69 LEU HD11 H 1 0.846 0.03 . 2 . . . . 124 L QD1 . 17289 1 661 . 1 1 69 69 LEU HD12 H 1 0.846 0.03 . 2 . . . . 124 L QD1 . 17289 1 662 . 1 1 69 69 LEU HD13 H 1 0.846 0.03 . 2 . . . . 124 L QD1 . 17289 1 663 . 1 1 69 69 LEU HD21 H 1 0.812 0.004 . 2 . . . . 124 L QD2 . 17289 1 664 . 1 1 69 69 LEU HD22 H 1 0.812 0.004 . 2 . . . . 124 L QD2 . 17289 1 665 . 1 1 69 69 LEU HD23 H 1 0.812 0.004 . 2 . . . . 124 L QD2 . 17289 1 666 . 1 1 69 69 LEU CA C 13 57.642 0.3 . 1 . . . . 124 L CA . 17289 1 667 . 1 1 69 69 LEU CB C 13 42.749 0.3 . 1 . . . . 124 L CB . 17289 1 668 . 1 1 69 69 LEU CG C 13 26.340 0.3 . 1 . . . . 124 L CG . 17289 1 669 . 1 1 69 69 LEU CD1 C 13 22.354 0.3 . 2 . . . . 124 L CD1 . 17289 1 670 . 1 1 69 69 LEU CD2 C 13 22.989 0.3 . 2 . . . . 124 L CD2 . 17289 1 671 . 1 1 69 69 LEU N N 15 123.308 0.3 . 1 . . . . 124 L N . 17289 1 672 . 1 1 70 70 TRP H H 1 9.002 0.003 . 1 . . . . 125 W H . 17289 1 673 . 1 1 70 70 TRP HA H 1 4.545 0.014 . 1 . . . . 125 W HA . 17289 1 674 . 1 1 70 70 TRP HB2 H 1 3.153 0.002 . 2 . . . . 125 W HB2 . 17289 1 675 . 1 1 70 70 TRP HB3 H 1 3.336 0.007 . 2 . . . . 125 W HB3 . 17289 1 676 . 1 1 70 70 TRP HD1 H 1 7.479 0.03 . 1 . . . . 125 W HD1 . 17289 1 677 . 1 1 70 70 TRP HE1 H 1 10.681 0.002 . 1 . . . . 125 W HE1 . 17289 1 678 . 1 1 70 70 TRP CA C 13 59.653 0.3 . 1 . . . . 125 W CA . 17289 1 679 . 1 1 70 70 TRP CB C 13 30.059 0.005 . 1 . . . . 125 W CB . 17289 1 680 . 1 1 70 70 TRP N N 15 120.304 0.3 . 1 . . . . 125 W N . 17289 1 681 . 1 1 70 70 TRP NE1 N 15 126.661 0.3 . 1 . . . . 125 W NE1 . 17289 1 682 . 1 1 71 71 LYS H H 1 8.031 0.03 . 1 . . . . 126 K H . 17289 1 683 . 1 1 71 71 LYS HA H 1 3.723 0.004 . 1 . . . . 126 K HA . 17289 1 684 . 1 1 71 71 LYS HB2 H 1 1.916 0.002 . 2 . . . . 126 K HB2 . 17289 1 685 . 1 1 71 71 LYS HB3 H 1 1.855 0.003 . 2 . . . . 126 K HB3 . 17289 1 686 . 1 1 71 71 LYS HG2 H 1 1.429 0.003 . 2 . . . . 126 K HG2 . 17289 1 687 . 1 1 71 71 LYS HG3 H 1 1.429 0.001 . 2 . . . . 126 K HG3 . 17289 1 688 . 1 1 71 71 LYS HD2 H 1 1.691 0.002 . 2 . . . . 126 K QD . 17289 1 689 . 1 1 71 71 LYS HD3 H 1 1.691 0.002 . 2 . . . . 126 K QD . 17289 1 690 . 1 1 71 71 LYS HE2 H 1 2.927 0.001 . 2 . . . . 126 K QE . 17289 1 691 . 1 1 71 71 LYS HE3 H 1 2.927 0.001 . 2 . . . . 126 K QE . 17289 1 692 . 1 1 71 71 LYS CA C 13 59.690 0.3 . 1 . . . . 126 K CA . 17289 1 693 . 1 1 71 71 LYS CB C 13 31.866 0.3 . 1 . . . . 126 K CB . 17289 1 694 . 1 1 71 71 LYS CG C 13 25.252 0.001 . 1 . . . . 126 K CG . 17289 1 695 . 1 1 71 71 LYS CD C 13 29.107 0.3 . 1 . . . . 126 K CD . 17289 1 696 . 1 1 71 71 LYS CE C 13 41.813 0.3 . 1 . . . . 126 K CE . 17289 1 697 . 1 1 71 71 LYS N N 15 117.036 0.3 . 1 . . . . 126 K N . 17289 1 698 . 1 1 72 72 ARG H H 1 7.897 0.003 . 1 . . . . 127 R H . 17289 1 699 . 1 1 72 72 ARG HA H 1 3.737 0.004 . 1 . . . . 127 R HA . 17289 1 700 . 1 1 72 72 ARG HB2 H 1 1.896 0.03 . 2 . . . . 127 R QB . 17289 1 701 . 1 1 72 72 ARG HB3 H 1 1.896 0.03 . 2 . . . . 127 R QB . 17289 1 702 . 1 1 72 72 ARG HG2 H 1 1.668 0.001 . 2 . . . . 127 R QG . 17289 1 703 . 1 1 72 72 ARG HG3 H 1 1.668 0.001 . 2 . . . . 127 R QG . 17289 1 704 . 1 1 72 72 ARG HD2 H 1 3.281 0.004 . 2 . . . . 127 R QD . 17289 1 705 . 1 1 72 72 ARG HD3 H 1 3.281 0.004 . 2 . . . . 127 R QD . 17289 1 706 . 1 1 72 72 ARG CA C 13 58.848 0.3 . 1 . . . . 127 R CA . 17289 1 707 . 1 1 72 72 ARG CB C 13 29.422 0.3 . 1 . . . . 127 R CB . 17289 1 708 . 1 1 72 72 ARG CG C 13 26.974 0.3 . 1 . . . . 127 R CG . 17289 1 709 . 1 1 72 72 ARG CD C 13 43.053 0.3 . 1 . . . . 127 R CD . 17289 1 710 . 1 1 72 72 ARG N N 15 119.441 0.3 . 1 . . . . 127 R N . 17289 1 711 . 1 1 73 73 TRP H H 1 8.187 0.003 . 1 . . . . 128 W H . 17289 1 712 . 1 1 73 73 TRP HA H 1 4.731 0.004 . 1 . . . . 128 W HA . 17289 1 713 . 1 1 73 73 TRP HB2 H 1 3.172 0.001 . 2 . . . . 128 W QB . 17289 1 714 . 1 1 73 73 TRP HB3 H 1 3.172 0.001 . 2 . . . . 128 W QB . 17289 1 715 . 1 1 73 73 TRP HD1 H 1 7.694 0.03 . 1 . . . . 128 W HD1 . 17289 1 716 . 1 1 73 73 TRP HE1 H 1 10.052 0.004 . 1 . . . . 128 W HE1 . 17289 1 717 . 1 1 73 73 TRP HE3 H 1 8.204 0.03 . 1 . . . . 128 W HE3 . 17289 1 718 . 1 1 73 73 TRP CA C 13 58.872 0.3 . 1 . . . . 128 W CA . 17289 1 719 . 1 1 73 73 TRP CB C 13 29.795 0.3 . 1 . . . . 128 W CB . 17289 1 720 . 1 1 73 73 TRP N N 15 120.297 0.3 . 1 . . . . 128 W N . 17289 1 721 . 1 1 73 73 TRP NE1 N 15 128.103 0.3 . 1 . . . . 128 W NE1 . 17289 1 722 . 1 1 74 74 LYS H H 1 8.110 0.03 . 1 . . . . 129 K H . 17289 1 723 . 1 1 74 74 LYS HA H 1 2.412 0.003 . 1 . . . . 129 K HA . 17289 1 724 . 1 1 74 74 LYS HB2 H 1 1.200 0.002 . 2 . . . . 129 K HB2 . 17289 1 725 . 1 1 74 74 LYS HB3 H 1 0.997 0.003 . 2 . . . . 129 K HB3 . 17289 1 726 . 1 1 74 74 LYS HG2 H 1 0.362 0.03 . 2 . . . . 129 K HG2 . 17289 1 727 . 1 1 74 74 LYS HG3 H 1 0.304 0.03 . 2 . . . . 129 K HG3 . 17289 1 728 . 1 1 74 74 LYS HD2 H 1 0.895 0.001 . 2 . . . . 129 K QD . 17289 1 729 . 1 1 74 74 LYS HD3 H 1 0.895 0.001 . 2 . . . . 129 K QD . 17289 1 730 . 1 1 74 74 LYS HE2 H 1 2.587 0.004 . 2 . . . . 129 K QE . 17289 1 731 . 1 1 74 74 LYS HE3 H 1 2.587 0.004 . 2 . . . . 129 K QE . 17289 1 732 . 1 1 74 74 LYS CA C 13 55.918 0.3 . 1 . . . . 129 K CA . 17289 1 733 . 1 1 74 74 LYS CB C 13 29.643 0.003 . 1 . . . . 129 K CB . 17289 1 734 . 1 1 74 74 LYS CG C 13 22.913 0.007 . 1 . . . . 129 K CG . 17289 1 735 . 1 1 74 74 LYS CD C 13 26.097 0.3 . 1 . . . . 129 K CD . 17289 1 736 . 1 1 74 74 LYS CE C 13 40.812 0.3 . 1 . . . . 129 K CE . 17289 1 737 . 1 1 74 74 LYS N N 15 115.456 0.3 . 1 . . . . 129 K N . 17289 1 738 . 1 1 75 75 THR H H 1 6.969 0.002 . 1 . . . . 130 T H . 17289 1 739 . 1 1 75 75 THR HA H 1 4.119 0.004 . 1 . . . . 130 T HA . 17289 1 740 . 1 1 75 75 THR HB H 1 4.310 0.004 . 1 . . . . 130 T HB . 17289 1 741 . 1 1 75 75 THR HG21 H 1 1.043 0.002 . 1 . . . . 130 T QG2 . 17289 1 742 . 1 1 75 75 THR HG22 H 1 1.043 0.002 . 1 . . . . 130 T QG2 . 17289 1 743 . 1 1 75 75 THR HG23 H 1 1.043 0.002 . 1 . . . . 130 T QG2 . 17289 1 744 . 1 1 75 75 THR CA C 13 60.512 0.3 . 1 . . . . 130 T CA . 17289 1 745 . 1 1 75 75 THR CB C 13 69.348 0.3 . 1 . . . . 130 T CB . 17289 1 746 . 1 1 75 75 THR CG2 C 13 21.213 0.3 . 1 . . . . 130 T CG2 . 17289 1 747 . 1 1 75 75 THR N N 15 106.297 0.3 . 1 . . . . 130 T N . 17289 1 748 . 1 1 76 76 SER H H 1 7.226 0.03 . 1 . . . . 131 S H . 17289 1 749 . 1 1 76 76 SER HA H 1 4.267 0.03 . 1 . . . . 131 S HA . 17289 1 750 . 1 1 76 76 SER HB2 H 1 4.147 0.001 . 2 . . . . 131 S HB2 . 17289 1 751 . 1 1 76 76 SER HB3 H 1 4.086 0.003 . 2 . . . . 131 S HB3 . 17289 1 752 . 1 1 76 76 SER CA C 13 58.189 0.3 . 1 . . . . 131 S CA . 17289 1 753 . 1 1 76 76 SER CB C 13 64.681 0.3 . 1 . . . . 131 S CB . 17289 1 754 . 1 1 76 76 SER N N 15 120.027 0.3 . 1 . . . . 131 S N . 17289 1 755 . 1 1 77 77 GLU H H 1 8.814 0.03 . 1 . . . . 132 E H . 17289 1 756 . 1 1 77 77 GLU HA H 1 4.054 0.03 . 1 . . . . 132 E HA . 17289 1 757 . 1 1 77 77 GLU HB2 H 1 2.043 0.004 . 2 . . . . 132 E QB . 17289 1 758 . 1 1 77 77 GLU HB3 H 1 2.043 0.004 . 2 . . . . 132 E QB . 17289 1 759 . 1 1 77 77 GLU HG2 H 1 2.397 0.03 . 2 . . . . 132 E HG2 . 17289 1 760 . 1 1 77 77 GLU HG3 H 1 2.293 0.03 . 2 . . . . 132 E HG3 . 17289 1 761 . 1 1 77 77 GLU CA C 13 58.872 0.3 . 1 . . . . 132 E CA . 17289 1 762 . 1 1 77 77 GLU CB C 13 29.540 0.3 . 1 . . . . 132 E CB . 17289 1 763 . 1 1 77 77 GLU CG C 13 36.504 0.002 . 1 . . . . 132 E CG . 17289 1 764 . 1 1 77 77 GLU N N 15 122.136 0.3 . 1 . . . . 132 E N . 17289 1 765 . 1 1 78 78 VAL H H 1 7.296 0.001 . 1 . . . . 133 V H . 17289 1 766 . 1 1 78 78 VAL HA H 1 1.582 0.003 . 1 . . . . 133 V HA . 17289 1 767 . 1 1 78 78 VAL HB H 1 1.383 0.003 . 1 . . . . 133 V HB . 17289 1 768 . 1 1 78 78 VAL HG11 H 1 0.384 0.004 . 2 . . . . 133 V QG1 . 17289 1 769 . 1 1 78 78 VAL HG12 H 1 0.384 0.004 . 2 . . . . 133 V QG1 . 17289 1 770 . 1 1 78 78 VAL HG13 H 1 0.384 0.004 . 2 . . . . 133 V QG1 . 17289 1 771 . 1 1 78 78 VAL HG21 H 1 -0.289 0.002 . 2 . . . . 133 V QG2 . 17289 1 772 . 1 1 78 78 VAL HG22 H 1 -0.289 0.002 . 2 . . . . 133 V QG2 . 17289 1 773 . 1 1 78 78 VAL HG23 H 1 -0.289 0.002 . 2 . . . . 133 V QG2 . 17289 1 774 . 1 1 78 78 VAL CA C 13 64.131 0.3 . 1 . . . . 133 V CA . 17289 1 775 . 1 1 78 78 VAL CB C 13 30.776 0.3 . 1 . . . . 133 V CB . 17289 1 776 . 1 1 78 78 VAL CG1 C 13 21.758 0.3 . 2 . . . . 133 V CG1 . 17289 1 777 . 1 1 78 78 VAL CG2 C 13 20.371 0.3 . 2 . . . . 133 V CG2 . 17289 1 778 . 1 1 78 78 VAL N N 15 120.053 0.3 . 1 . . . . 133 V N . 17289 1 779 . 1 1 79 79 HIS H H 1 6.489 0.03 . 1 . . . . 134 H H . 17289 1 780 . 1 1 79 79 HIS HA H 1 2.912 0.03 . 1 . . . . 134 H HA . 17289 1 781 . 1 1 79 79 HIS HB2 H 1 2.024 0.03 . 2 . . . . 134 H HB2 . 17289 1 782 . 1 1 79 79 HIS HB3 H 1 1.022 0.03 . 2 . . . . 134 H HB3 . 17289 1 783 . 1 1 79 79 HIS CA C 13 58.916 0.3 . 1 . . . . 134 H CA . 17289 1 784 . 1 1 79 79 HIS CB C 13 27.177 0.009 . 1 . . . . 134 H CB . 17289 1 785 . 1 1 79 79 HIS N N 15 117.313 0.3 . 1 . . . . 134 H N . 17289 1 786 . 1 1 80 80 ASN H H 1 6.844 0.03 . 1 . . . . 135 N H . 17289 1 787 . 1 1 80 80 ASN HA H 1 4.639 0.004 . 1 . . . . 135 N HA . 17289 1 788 . 1 1 80 80 ASN HB2 H 1 3.115 0.007 . 2 . . . . 135 N HB2 . 17289 1 789 . 1 1 80 80 ASN HB3 H 1 2.750 0.009 . 2 . . . . 135 N HB3 . 17289 1 790 . 1 1 80 80 ASN HD21 H 1 7.786 0.001 . 2 . . . . 135 N HD21 . 17289 1 791 . 1 1 80 80 ASN HD22 H 1 6.828 0.006 . 2 . . . . 135 N HD22 . 17289 1 792 . 1 1 80 80 ASN CA C 13 51.902 0.3 . 1 . . . . 135 N CA . 17289 1 793 . 1 1 80 80 ASN CB C 13 38.766 0.006 . 1 . . . . 135 N CB . 17289 1 794 . 1 1 80 80 ASN N N 15 111.532 0.017 . 1 . . . . 135 N N . 17289 1 795 . 1 1 80 80 ASN ND2 N 15 115.228 0.3 . 1 . . . . 135 N ND2 . 17289 1 796 . 1 1 81 81 TRP H H 1 8.105 0.002 . 1 . . . . 136 W H . 17289 1 797 . 1 1 81 81 TRP HA H 1 5.118 0.005 . 1 . . . . 136 W HA . 17289 1 798 . 1 1 81 81 TRP HB2 H 1 3.260 0.004 . 2 . . . . 136 W QB . 17289 1 799 . 1 1 81 81 TRP HB3 H 1 3.260 0.004 . 2 . . . . 136 W QB . 17289 1 800 . 1 1 81 81 TRP HD1 H 1 6.934 0.003 . 1 . . . . 136 W HD1 . 17289 1 801 . 1 1 81 81 TRP HE1 H 1 10.105 0.005 . 1 . . . . 136 W HE1 . 17289 1 802 . 1 1 81 81 TRP CA C 13 56.207 0.3 . 1 . . . . 136 W CA . 17289 1 803 . 1 1 81 81 TRP CB C 13 30.213 0.3 . 1 . . . . 136 W CB . 17289 1 804 . 1 1 81 81 TRP N N 15 123.075 0.3 . 1 . . . . 136 W N . 17289 1 805 . 1 1 81 81 TRP NE1 N 15 125.536 0.3 . 1 . . . . 136 W NE1 . 17289 1 806 . 1 1 82 82 THR H H 1 9.744 0.03 . 1 . . . . 137 T H . 17289 1 807 . 1 1 82 82 THR HA H 1 4.521 0.003 . 1 . . . . 137 T HA . 17289 1 808 . 1 1 82 82 THR HB H 1 4.913 0.005 . 1 . . . . 137 T HB . 17289 1 809 . 1 1 82 82 THR HG21 H 1 1.503 0.005 . 1 . . . . 137 T QG2 . 17289 1 810 . 1 1 82 82 THR HG22 H 1 1.503 0.005 . 1 . . . . 137 T QG2 . 17289 1 811 . 1 1 82 82 THR HG23 H 1 1.503 0.005 . 1 . . . . 137 T QG2 . 17289 1 812 . 1 1 82 82 THR CA C 13 60.649 0.3 . 1 . . . . 137 T CA . 17289 1 813 . 1 1 82 82 THR CB C 13 72.405 0.3 . 1 . . . . 137 T CB . 17289 1 814 . 1 1 82 82 THR CG2 C 13 21.951 0.3 . 1 . . . . 137 T CG2 . 17289 1 815 . 1 1 82 82 THR N N 15 117.306 0.3 . 1 . . . . 137 T N . 17289 1 816 . 1 1 83 83 LEU H H 1 9.502 0.004 . 1 . . . . 138 L H . 17289 1 817 . 1 1 83 83 LEU HA H 1 4.575 0.003 . 1 . . . . 138 L HA . 17289 1 818 . 1 1 83 83 LEU HB2 H 1 1.870 0.007 . 2 . . . . 138 L QB . 17289 1 819 . 1 1 83 83 LEU HB3 H 1 1.870 0.007 . 2 . . . . 138 L QB . 17289 1 820 . 1 1 83 83 LEU HG H 1 1.697 0.001 . 1 . . . . 138 L HG . 17289 1 821 . 1 1 83 83 LEU HD11 H 1 1.037 0.003 . 2 . . . . 138 L QD1 . 17289 1 822 . 1 1 83 83 LEU HD12 H 1 1.037 0.003 . 2 . . . . 138 L QD1 . 17289 1 823 . 1 1 83 83 LEU HD13 H 1 1.037 0.003 . 2 . . . . 138 L QD1 . 17289 1 824 . 1 1 83 83 LEU HD21 H 1 1.129 0.002 . 2 . . . . 138 L QD2 . 17289 1 825 . 1 1 83 83 LEU HD22 H 1 1.129 0.002 . 2 . . . . 138 L QD2 . 17289 1 826 . 1 1 83 83 LEU HD23 H 1 1.129 0.002 . 2 . . . . 138 L QD2 . 17289 1 827 . 1 1 83 83 LEU CA C 13 59.002 0.3 . 1 . . . . 138 L CA . 17289 1 828 . 1 1 83 83 LEU CB C 13 41.883 0.3 . 1 . . . . 138 L CB . 17289 1 829 . 1 1 83 83 LEU CG C 13 27.433 0.3 . 1 . . . . 138 L CG . 17289 1 830 . 1 1 83 83 LEU CD1 C 13 26.339 0.3 . 2 . . . . 138 L CD1 . 17289 1 831 . 1 1 83 83 LEU CD2 C 13 25.108 0.3 . 2 . . . . 138 L CD2 . 17289 1 832 . 1 1 83 83 LEU N N 15 125.536 0.3 . 1 . . . . 138 L N . 17289 1 833 . 1 1 84 84 GLU H H 1 8.840 0.001 . 1 . . . . 139 E H . 17289 1 834 . 1 1 84 84 GLU HA H 1 3.890 0.003 . 1 . . . . 139 E HA . 17289 1 835 . 1 1 84 84 GLU HB2 H 1 1.982 0.002 . 2 . . . . 139 E HB2 . 17289 1 836 . 1 1 84 84 GLU HB3 H 1 2.057 0.002 . 2 . . . . 139 E HB3 . 17289 1 837 . 1 1 84 84 GLU HG2 H 1 2.541 0.003 . 2 . . . . 139 E HG2 . 17289 1 838 . 1 1 84 84 GLU HG3 H 1 2.265 0.002 . 2 . . . . 139 E HG3 . 17289 1 839 . 1 1 84 84 GLU CA C 13 61.332 0.3 . 1 . . . . 139 E CA . 17289 1 840 . 1 1 84 84 GLU CB C 13 28.116 0.3 . 1 . . . . 139 E CB . 17289 1 841 . 1 1 84 84 GLU CG C 13 37.301 0.3 . 1 . . . . 139 E CG . 17289 1 842 . 1 1 84 84 GLU N N 15 118.598 0.3 . 1 . . . . 139 E N . 17289 1 843 . 1 1 85 85 ASP H H 1 8.063 0.03 . 1 . . . . 140 D H . 17289 1 844 . 1 1 85 85 ASP HA H 1 4.068 0.03 . 1 . . . . 140 D HA . 17289 1 845 . 1 1 85 85 ASP HB2 H 1 1.693 0.001 . 2 . . . . 140 D QB . 17289 1 846 . 1 1 85 85 ASP HB3 H 1 1.693 0.001 . 2 . . . . 140 D QB . 17289 1 847 . 1 1 85 85 ASP CA C 13 57.369 0.3 . 1 . . . . 140 D CA . 17289 1 848 . 1 1 85 85 ASP CB C 13 40.089 0.3 . 1 . . . . 140 D CB . 17289 1 849 . 1 1 85 85 ASP N N 15 121.433 0.3 . 1 . . . . 140 D N . 17289 1 850 . 1 1 86 86 THR H H 1 8.351 0.002 . 1 . . . . 141 T H . 17289 1 851 . 1 1 86 86 THR HA H 1 4.128 0.003 . 1 . . . . 141 T HA . 17289 1 852 . 1 1 86 86 THR HB H 1 4.702 0.003 . 1 . . . . 141 T HB . 17289 1 853 . 1 1 86 86 THR HG21 H 1 1.455 0.002 . 1 . . . . 141 T QG2 . 17289 1 854 . 1 1 86 86 THR HG22 H 1 1.455 0.002 . 1 . . . . 141 T QG2 . 17289 1 855 . 1 1 86 86 THR HG23 H 1 1.455 0.002 . 1 . . . . 141 T QG2 . 17289 1 856 . 1 1 86 86 THR CA C 13 67.409 0.3 . 1 . . . . 141 T CA . 17289 1 857 . 1 1 86 86 THR CB C 13 67.762 0.3 . 1 . . . . 141 T CB . 17289 1 858 . 1 1 86 86 THR CG2 C 13 22.585 0.3 . 1 . . . . 141 T CG2 . 17289 1 859 . 1 1 86 86 THR N N 15 119.792 0.3 . 1 . . . . 141 T N . 17289 1 860 . 1 1 87 87 LEU H H 1 8.811 0.001 . 1 . . . . 142 L H . 17289 1 861 . 1 1 87 87 LEU HA H 1 4.146 0.003 . 1 . . . . 142 L HA . 17289 1 862 . 1 1 87 87 LEU HB2 H 1 2.080 0.004 . 2 . . . . 142 L HB2 . 17289 1 863 . 1 1 87 87 LEU HB3 H 1 1.387 0.004 . 2 . . . . 142 L HB3 . 17289 1 864 . 1 1 87 87 LEU HG H 1 2.096 0.03 . 1 . . . . 142 L HG . 17289 1 865 . 1 1 87 87 LEU HD11 H 1 1.016 0.003 . 2 . . . . 142 L QD1 . 17289 1 866 . 1 1 87 87 LEU HD12 H 1 1.016 0.003 . 2 . . . . 142 L QD1 . 17289 1 867 . 1 1 87 87 LEU HD13 H 1 1.016 0.003 . 2 . . . . 142 L QD1 . 17289 1 868 . 1 1 87 87 LEU HD21 H 1 0.925 0.004 . 2 . . . . 142 L QD2 . 17289 1 869 . 1 1 87 87 LEU HD22 H 1 0.925 0.004 . 2 . . . . 142 L QD2 . 17289 1 870 . 1 1 87 87 LEU HD23 H 1 0.925 0.004 . 2 . . . . 142 L QD2 . 17289 1 871 . 1 1 87 87 LEU CA C 13 57.472 0.3 . 1 . . . . 142 L CA . 17289 1 872 . 1 1 87 87 LEU CB C 13 41.510 0.001 . 1 . . . . 142 L CB . 17289 1 873 . 1 1 87 87 LEU CG C 13 26.313 0.3 . 1 . . . . 142 L CG . 17289 1 874 . 1 1 87 87 LEU CD1 C 13 24.414 0.3 . 2 . . . . 142 L CD1 . 17289 1 875 . 1 1 87 87 LEU CD2 C 13 22.060 0.3 . 2 . . . . 142 L CD2 . 17289 1 876 . 1 1 87 87 LEU N N 15 123.497 0.3 . 1 . . . . 142 L N . 17289 1 877 . 1 1 88 88 GLN H H 1 7.785 0.001 . 1 . . . . 143 Q H . 17289 1 878 . 1 1 88 88 GLN HA H 1 4.011 0.001 . 1 . . . . 143 Q HA . 17289 1 879 . 1 1 88 88 GLN HB2 H 1 2.051 0.001 . 2 . . . . 143 Q QB . 17289 1 880 . 1 1 88 88 GLN HB3 H 1 2.051 0.001 . 2 . . . . 143 Q QB . 17289 1 881 . 1 1 88 88 GLN HG2 H 1 2.364 0.001 . 2 . . . . 143 Q HG2 . 17289 1 882 . 1 1 88 88 GLN HG3 H 1 2.294 0.001 . 2 . . . . 143 Q HG3 . 17289 1 883 . 1 1 88 88 GLN CA C 13 59.459 0.3 . 1 . . . . 143 Q CA . 17289 1 884 . 1 1 88 88 GLN CB C 13 27.446 0.3 . 1 . . . . 143 Q CB . 17289 1 885 . 1 1 88 88 GLN CG C 13 33.307 0.011 . 1 . . . . 143 Q CG . 17289 1 886 . 1 1 88 88 GLN N N 15 118.812 0.3 . 1 . . . . 143 Q N . 17289 1 887 . 1 1 89 89 TRP H H 1 7.465 0.001 . 1 . . . . 144 W H . 17289 1 888 . 1 1 89 89 TRP HA H 1 4.480 0.001 . 1 . . . . 144 W HA . 17289 1 889 . 1 1 89 89 TRP HB2 H 1 3.095 0.019 . 2 . . . . 144 W QB . 17289 1 890 . 1 1 89 89 TRP HB3 H 1 3.095 0.019 . 2 . . . . 144 W QB . 17289 1 891 . 1 1 89 89 TRP HD1 H 1 7.308 0.03 . 1 . . . . 144 W HD1 . 17289 1 892 . 1 1 89 89 TRP HE1 H 1 10.180 0.001 . 1 . . . . 144 W HE1 . 17289 1 893 . 1 1 89 89 TRP CA C 13 61.059 0.3 . 1 . . . . 144 W CA . 17289 1 894 . 1 1 89 89 TRP CB C 13 28.331 0.3 . 1 . . . . 144 W CB . 17289 1 895 . 1 1 89 89 TRP N N 15 121.018 0.3 . 1 . . . . 144 W N . 17289 1 896 . 1 1 89 89 TRP NE1 N 15 129.580 0.3 . 1 . . . . 144 W NE1 . 17289 1 897 . 1 1 90 90 LEU H H 1 8.782 0.03 . 1 . . . . 145 L H . 17289 1 898 . 1 1 90 90 LEU HA H 1 3.203 0.002 . 1 . . . . 145 L HA . 17289 1 899 . 1 1 90 90 LEU HB2 H 1 2.052 0.03 . 2 . . . . 145 L HB2 . 17289 1 900 . 1 1 90 90 LEU HB3 H 1 1.264 0.007 . 2 . . . . 145 L HB3 . 17289 1 901 . 1 1 90 90 LEU HG H 1 0.935 0.001 . 1 . . . . 145 L HG . 17289 1 902 . 1 1 90 90 LEU HD11 H 1 0.384 0.003 . 2 . . . . 145 L QD1 . 17289 1 903 . 1 1 90 90 LEU HD12 H 1 0.384 0.003 . 2 . . . . 145 L QD1 . 17289 1 904 . 1 1 90 90 LEU HD13 H 1 0.384 0.003 . 2 . . . . 145 L QD1 . 17289 1 905 . 1 1 90 90 LEU HD21 H 1 -0.119 0.002 . 2 . . . . 145 L QD2 . 17289 1 906 . 1 1 90 90 LEU HD22 H 1 -0.119 0.002 . 2 . . . . 145 L QD2 . 17289 1 907 . 1 1 90 90 LEU HD23 H 1 -0.119 0.002 . 2 . . . . 145 L QD2 . 17289 1 908 . 1 1 90 90 LEU CA C 13 57.690 0.3 . 1 . . . . 145 L CA . 17289 1 909 . 1 1 90 90 LEU CB C 13 41.808 0.008 . 1 . . . . 145 L CB . 17289 1 910 . 1 1 90 90 LEU CG C 13 26.135 0.3 . 1 . . . . 145 L CG . 17289 1 911 . 1 1 90 90 LEU CD1 C 13 23.181 0.3 . 2 . . . . 145 L CD1 . 17289 1 912 . 1 1 90 90 LEU CD2 C 13 24.269 0.3 . 2 . . . . 145 L CD2 . 17289 1 913 . 1 1 90 90 LEU N N 15 123.425 0.3 . 1 . . . . 145 L N . 17289 1 914 . 1 1 91 91 ILE H H 1 8.563 0.03 . 1 . . . . 146 I H . 17289 1 915 . 1 1 91 91 ILE HA H 1 3.142 0.002 . 1 . . . . 146 I HA . 17289 1 916 . 1 1 91 91 ILE HB H 1 1.733 0.03 . 1 . . . . 146 I HB . 17289 1 917 . 1 1 91 91 ILE HG12 H 1 1.681 0.03 . 1 . . . . 146 I QG1 . 17289 1 918 . 1 1 91 91 ILE HG13 H 1 1.681 0.03 . 1 . . . . 146 I QG1 . 17289 1 919 . 1 1 91 91 ILE HG21 H 1 0.829 0.03 . 1 . . . . 146 I QG2 . 17289 1 920 . 1 1 91 91 ILE HG22 H 1 0.829 0.03 . 1 . . . . 146 I QG2 . 17289 1 921 . 1 1 91 91 ILE HG23 H 1 0.829 0.03 . 1 . . . . 146 I QG2 . 17289 1 922 . 1 1 91 91 ILE HD11 H 1 0.811 0.002 . 1 . . . . 146 I QD1 . 17289 1 923 . 1 1 91 91 ILE HD12 H 1 0.811 0.002 . 1 . . . . 146 I QD1 . 17289 1 924 . 1 1 91 91 ILE HD13 H 1 0.811 0.002 . 1 . . . . 146 I QD1 . 17289 1 925 . 1 1 91 91 ILE CA C 13 66.078 0.3 . 1 . . . . 146 I CA . 17289 1 926 . 1 1 91 91 ILE CB C 13 39.324 0.3 . 1 . . . . 146 I CB . 17289 1 927 . 1 1 91 91 ILE CG1 C 13 29.843 0.3 . 1 . . . . 146 I CG1 . 17289 1 928 . 1 1 91 91 ILE CG2 C 13 17.177 0.3 . 1 . . . . 146 I CG2 . 17289 1 929 . 1 1 91 91 ILE CD1 C 13 13.323 0.109 . 1 . . . . 146 I CD1 . 17289 1 930 . 1 1 91 91 ILE N N 15 117.683 0.3 . 1 . . . . 146 I N . 17289 1 931 . 1 1 92 92 GLU H H 1 8.695 0.003 . 1 . . . . 147 E H . 17289 1 932 . 1 1 92 92 GLU HA H 1 4.154 0.001 . 1 . . . . 147 E HA . 17289 1 933 . 1 1 92 92 GLU HB2 H 1 1.984 0.001 . 2 . . . . 147 E HB2 . 17289 1 934 . 1 1 92 92 GLU HB3 H 1 1.874 0.001 . 2 . . . . 147 E HB3 . 17289 1 935 . 1 1 92 92 GLU HG2 H 1 2.264 0.001 . 2 . . . . 147 E HG2 . 17289 1 936 . 1 1 92 92 GLU HG3 H 1 1.964 0.03 . 2 . . . . 147 E HG3 . 17289 1 937 . 1 1 92 92 GLU CA C 13 58.052 0.3 . 1 . . . . 147 E CA . 17289 1 938 . 1 1 92 92 GLU CB C 13 30.508 0.005 . 1 . . . . 147 E CB . 17289 1 939 . 1 1 92 92 GLU CG C 13 36.254 0.015 . 1 . . . . 147 E CG . 17289 1 940 . 1 1 92 92 GLU N N 15 115.808 0.3 . 1 . . . . 147 E N . 17289 1 941 . 1 1 93 93 PHE H H 1 7.977 0.001 . 1 . . . . 148 F H . 17289 1 942 . 1 1 93 93 PHE HA H 1 4.682 0.03 . 1 . . . . 148 F HA . 17289 1 943 . 1 1 93 93 PHE HB2 H 1 3.185 0.005 . 2 . . . . 148 F QB . 17289 1 944 . 1 1 93 93 PHE HB3 H 1 3.185 0.005 . 2 . . . . 148 F QB . 17289 1 945 . 1 1 93 93 PHE HD1 H 1 7.341 0.3 . 3 . . . . 148 F H . 17289 1 946 . 1 1 93 93 PHE HD2 H 1 7.341 0.3 . 3 . . . . 148 F H . 17289 1 947 . 1 1 93 93 PHE HE1 H 1 7.341 0.3 . 3 . . . . 148 F H . 17289 1 948 . 1 1 93 93 PHE HE2 H 1 7.341 0.3 . 3 . . . . 148 F H . 17289 1 949 . 1 1 93 93 PHE HZ H 1 7.341 0.3 . 1 . . . . 148 F H . 17289 1 950 . 1 1 93 93 PHE CA C 13 59.555 0.3 . 1 . . . . 148 F CA . 17289 1 951 . 1 1 93 93 PHE CB C 13 39.947 0.3 . 1 . . . . 148 F CB . 17289 1 952 . 1 1 93 93 PHE N N 15 117.573 0.3 . 1 . . . . 148 F N . 17289 1 953 . 1 1 94 94 VAL H H 1 8.084 0.003 . 1 . . . . 149 V H . 17289 1 954 . 1 1 94 94 VAL HA H 1 3.168 0.004 . 1 . . . . 149 V HA . 17289 1 955 . 1 1 94 94 VAL HB H 1 2.163 0.005 . 1 . . . . 149 V HB . 17289 1 956 . 1 1 94 94 VAL HG11 H 1 0.658 0.002 . 2 . . . . 149 V QG1 . 17289 1 957 . 1 1 94 94 VAL HG12 H 1 0.658 0.002 . 2 . . . . 149 V QG1 . 17289 1 958 . 1 1 94 94 VAL HG13 H 1 0.658 0.002 . 2 . . . . 149 V QG1 . 17289 1 959 . 1 1 94 94 VAL HG21 H 1 -0.503 0.001 . 2 . . . . 149 V QG2 . 17289 1 960 . 1 1 94 94 VAL HG22 H 1 -0.503 0.001 . 2 . . . . 149 V QG2 . 17289 1 961 . 1 1 94 94 VAL HG23 H 1 -0.503 0.001 . 2 . . . . 149 V QG2 . 17289 1 962 . 1 1 94 94 VAL CA C 13 64.197 0.3 . 1 . . . . 149 V CA . 17289 1 963 . 1 1 94 94 VAL CB C 13 29.748 0.3 . 1 . . . . 149 V CB . 17289 1 964 . 1 1 94 94 VAL CG1 C 13 22.333 0.3 . 2 . . . . 149 V CG1 . 17289 1 965 . 1 1 94 94 VAL CG2 C 13 20.695 0.3 . 2 . . . . 149 V CG2 . 17289 1 966 . 1 1 94 94 VAL N N 15 119.554 0.3 . 1 . . . . 149 V N . 17289 1 967 . 1 1 95 95 GLU H H 1 6.588 0.003 . 1 . . . . 150 E H . 17289 1 968 . 1 1 95 95 GLU HA H 1 3.863 0.002 . 1 . . . . 150 E HA . 17289 1 969 . 1 1 95 95 GLU HB2 H 1 2.141 0.001 . 2 . . . . 150 E HB2 . 17289 1 970 . 1 1 95 95 GLU HB3 H 1 1.922 0.03 . 2 . . . . 150 E HB3 . 17289 1 971 . 1 1 95 95 GLU CA C 13 56.095 0.3 . 1 . . . . 150 E CA . 17289 1 972 . 1 1 95 95 GLU CB C 13 26.792 0.025 . 1 . . . . 150 E CB . 17289 1 973 . 1 1 95 95 GLU N N 15 109.831 0.3 . 1 . . . . 150 E N . 17289 1 974 . 1 1 96 96 LEU H H 1 7.192 0.003 . 1 . . . . 151 L H . 17289 1 975 . 1 1 96 96 LEU HA H 1 3.838 0.006 . 1 . . . . 151 L HA . 17289 1 976 . 1 1 96 96 LEU HB2 H 1 1.141 0.005 . 2 . . . . 151 L QB . 17289 1 977 . 1 1 96 96 LEU HB3 H 1 1.141 0.005 . 2 . . . . 151 L QB . 17289 1 978 . 1 1 96 96 LEU HG H 1 0.769 0.001 . 1 . . . . 151 L HG . 17289 1 979 . 1 1 96 96 LEU HD11 H 1 0.481 0.002 . 2 . . . . 151 L QD1 . 17289 1 980 . 1 1 96 96 LEU HD12 H 1 0.481 0.002 . 2 . . . . 151 L QD1 . 17289 1 981 . 1 1 96 96 LEU HD13 H 1 0.481 0.002 . 2 . . . . 151 L QD1 . 17289 1 982 . 1 1 96 96 LEU HD21 H 1 0.339 0.003 . 2 . . . . 151 L QD2 . 17289 1 983 . 1 1 96 96 LEU HD22 H 1 0.339 0.003 . 2 . . . . 151 L QD2 . 17289 1 984 . 1 1 96 96 LEU HD23 H 1 0.339 0.003 . 2 . . . . 151 L QD2 . 17289 1 985 . 1 1 96 96 LEU CA C 13 56.140 0.3 . 1 . . . . 151 L CA . 17289 1 986 . 1 1 96 96 LEU CB C 13 41.212 0.3 . 1 . . . . 151 L CB . 17289 1 987 . 1 1 96 96 LEU CG C 13 25.555 0.3 . 1 . . . . 151 L CG . 17289 1 988 . 1 1 96 96 LEU CD1 C 13 25.654 0.3 . 2 . . . . 151 L CD1 . 17289 1 989 . 1 1 96 96 LEU CD2 C 13 23.399 0.3 . 2 . . . . 151 L CD2 . 17289 1 990 . 1 1 96 96 LEU N N 15 117.050 0.3 . 1 . . . . 151 L N . 17289 1 991 . 1 1 97 97 PRO HA H 1 3.840 0.002 . 1 . . . . 152 P HA . 17289 1 992 . 1 1 97 97 PRO HB2 H 1 2.029 0.001 . 2 . . . . 152 P HB2 . 17289 1 993 . 1 1 97 97 PRO HB3 H 1 2.135 0.03 . 2 . . . . 152 P HB3 . 17289 1 994 . 1 1 97 97 PRO HG2 H 1 1.849 0.03 . 2 . . . . 152 P HG2 . 17289 1 995 . 1 1 97 97 PRO HG3 H 1 1.963 0.001 . 2 . . . . 152 P HG3 . 17289 1 996 . 1 1 97 97 PRO HD2 H 1 3.128 0.005 . 2 . . . . 152 P HD2 . 17289 1 997 . 1 1 97 97 PRO HD3 H 1 3.629 0.003 . 2 . . . . 152 P HD3 . 17289 1 998 . 1 1 97 97 PRO CA C 13 64.134 0.3 . 1 . . . . 152 P CA . 17289 1 999 . 1 1 97 97 PRO CB C 13 31.845 0.031 . 1 . . . . 152 P CB . 17289 1 1000 . 1 1 97 97 PRO CG C 13 26.849 0.006 . 1 . . . . 152 P CG . 17289 1 1001 . 1 1 97 97 PRO CD C 13 50.622 0.015 . 1 . . . . 152 P CD . 17289 1 1002 . 1 1 98 98 GLN H H 1 9.794 0.001 . 1 . . . . 153 Q H . 17289 1 1003 . 1 1 98 98 GLN HA H 1 4.159 0.03 . 1 . . . . 153 Q HA . 17289 1 1004 . 1 1 98 98 GLN N N 15 120.281 0.3 . 1 . . . . 153 Q N . 17289 1 1005 . 1 1 99 99 TYR H H 1 7.117 0.002 . 1 . . . . 154 Y H . 17289 1 1006 . 1 1 99 99 TYR HA H 1 5.443 0.004 . 1 . . . . 154 Y HA . 17289 1 1007 . 1 1 99 99 TYR HB2 H 1 3.396 0.005 . 2 . . . . 154 Y HB2 . 17289 1 1008 . 1 1 99 99 TYR HB3 H 1 2.371 0.03 . 2 . . . . 154 Y HB3 . 17289 1 1009 . 1 1 99 99 TYR HD1 H 1 7.085 0.03 . 3 . . . . 154 Y QD . 17289 1 1010 . 1 1 99 99 TYR HD2 H 1 7.085 0.03 . 3 . . . . 154 Y QD . 17289 1 1011 . 1 1 99 99 TYR HE1 H 1 6.776 0.03 . 3 . . . . 154 Y QE . 17289 1 1012 . 1 1 99 99 TYR HE2 H 1 6.776 0.03 . 3 . . . . 154 Y QE . 17289 1 1013 . 1 1 99 99 TYR CA C 13 56.632 0.3 . 1 . . . . 154 Y CA . 17289 1 1014 . 1 1 99 99 TYR CB C 13 37.104 0.003 . 1 . . . . 154 Y CB . 17289 1 1015 . 1 1 99 99 TYR N N 15 119.285 0.3 . 1 . . . . 154 Y N . 17289 1 1016 . 1 1 100 100 GLU H H 1 7.610 0.002 . 1 . . . . 155 E H . 17289 1 1017 . 1 1 100 100 GLU HA H 1 3.585 0.003 . 1 . . . . 155 E HA . 17289 1 1018 . 1 1 100 100 GLU HB2 H 1 1.985 0.001 . 2 . . . . 155 E HB2 . 17289 1 1019 . 1 1 100 100 GLU HB3 H 1 2.058 0.001 . 2 . . . . 155 E HB3 . 17289 1 1020 . 1 1 100 100 GLU HG2 H 1 2.386 0.03 . 2 . . . . 155 E HG2 . 17289 1 1021 . 1 1 100 100 GLU HG3 H 1 2.152 0.03 . 2 . . . . 155 E HG3 . 17289 1 1022 . 1 1 100 100 GLU CA C 13 59.909 0.3 . 1 . . . . 155 E CA . 17289 1 1023 . 1 1 100 100 GLU CB C 13 28.507 0.008 . 1 . . . . 155 E CB . 17289 1 1024 . 1 1 100 100 GLU CG C 13 35.566 0.3 . 1 . . . . 155 E CG . 17289 1 1025 . 1 1 100 100 GLU N N 15 122.722 0.3 . 1 . . . . 155 E N . 17289 1 1026 . 1 1 101 101 LYS H H 1 9.099 0.003 . 1 . . . . 156 K H . 17289 1 1027 . 1 1 101 101 LYS HA H 1 3.941 0.002 . 1 . . . . 156 K HA . 17289 1 1028 . 1 1 101 101 LYS HB2 H 1 1.932 0.03 . 2 . . . . 156 K HB2 . 17289 1 1029 . 1 1 101 101 LYS HB3 H 1 1.823 0.002 . 2 . . . . 156 K HB3 . 17289 1 1030 . 1 1 101 101 LYS HG2 H 1 1.441 0.002 . 2 . . . . 156 K QG . 17289 1 1031 . 1 1 101 101 LYS HG3 H 1 1.441 0.002 . 2 . . . . 156 K QG . 17289 1 1032 . 1 1 101 101 LYS HD2 H 1 1.688 0.03 . 2 . . . . 156 K QD . 17289 1 1033 . 1 1 101 101 LYS HD3 H 1 1.688 0.03 . 2 . . . . 156 K QD . 17289 1 1034 . 1 1 101 101 LYS HE2 H 1 3.044 0.001 . 2 . . . . 156 K QE . 17289 1 1035 . 1 1 101 101 LYS HE3 H 1 3.044 0.001 . 2 . . . . 156 K QE . 17289 1 1036 . 1 1 101 101 LYS CA C 13 59.829 0.3 . 1 . . . . 156 K CA . 17289 1 1037 . 1 1 101 101 LYS CB C 13 32.149 0.3 . 1 . . . . 156 K CB . 17289 1 1038 . 1 1 101 101 LYS CG C 13 24.899 0.3 . 1 . . . . 156 K CG . 17289 1 1039 . 1 1 101 101 LYS CD C 13 29.279 0.3 . 1 . . . . 156 K CD . 17289 1 1040 . 1 1 101 101 LYS CE C 13 41.979 0.3 . 1 . . . . 156 K CE . 17289 1 1041 . 1 1 101 101 LYS N N 15 119.593 0.3 . 1 . . . . 156 K N . 17289 1 1042 . 1 1 102 102 ASN H H 1 8.626 0.001 . 1 . . . . 157 N H . 17289 1 1043 . 1 1 102 102 ASN HA H 1 4.607 0.010 . 1 . . . . 157 N HA . 17289 1 1044 . 1 1 102 102 ASN HB2 H 1 3.083 0.03 . 2 . . . . 157 N HB2 . 17289 1 1045 . 1 1 102 102 ASN HB3 H 1 3.033 0.03 . 2 . . . . 157 N HB3 . 17289 1 1046 . 1 1 102 102 ASN HD21 H 1 8.339 0.001 . 2 . . . . 157 N HD21 . 17289 1 1047 . 1 1 102 102 ASN HD22 H 1 7.462 0.003 . 2 . . . . 157 N HD22 . 17289 1 1048 . 1 1 102 102 ASN CA C 13 56.344 0.3 . 1 . . . . 157 N CA . 17289 1 1049 . 1 1 102 102 ASN CB C 13 30.568 0.003 . 1 . . . . 157 N CB . 17289 1 1050 . 1 1 102 102 ASN N N 15 114.108 0.3 . 1 . . . . 157 N N . 17289 1 1051 . 1 1 102 102 ASN ND2 N 15 114.918 0.150 . 1 . . . . 157 N ND2 . 17289 1 1052 . 1 1 103 103 PHE H H 1 8.649 0.03 . 1 . . . . 158 F H . 17289 1 1053 . 1 1 103 103 PHE HA H 1 4.222 0.004 . 1 . . . . 158 F HA . 17289 1 1054 . 1 1 103 103 PHE HB2 H 1 3.151 0.002 . 2 . . . . 158 F QB . 17289 1 1055 . 1 1 103 103 PHE HB3 H 1 3.151 0.002 . 2 . . . . 158 F QB . 17289 1 1056 . 1 1 103 103 PHE HD1 H 1 7.373 0.3 . 3 . . . . 158 F H . 17289 1 1057 . 1 1 103 103 PHE HD2 H 1 7.373 0.3 . 3 . . . . 158 F H . 17289 1 1058 . 1 1 103 103 PHE HE1 H 1 7.373 0.3 . 3 . . . . 158 F H . 17289 1 1059 . 1 1 103 103 PHE HE2 H 1 7.373 0.3 . 3 . . . . 158 F H . 17289 1 1060 . 1 1 103 103 PHE HZ H 1 7.373 0.3 . 1 . . . . 158 F H . 17289 1 1061 . 1 1 103 103 PHE CA C 13 60.444 0.3 . 1 . . . . 158 F CA . 17289 1 1062 . 1 1 103 103 PHE CB C 13 38.250 0.3 . 1 . . . . 158 F CB . 17289 1 1063 . 1 1 103 103 PHE N N 15 120.800 0.3 . 1 . . . . 158 F N . 17289 1 1064 . 1 1 104 104 ARG H H 1 8.937 0.001 . 1 . . . . 159 R H . 17289 1 1065 . 1 1 104 104 ARG HA H 1 4.196 0.001 . 1 . . . . 159 R HA . 17289 1 1066 . 1 1 104 104 ARG HB2 H 1 1.974 0.001 . 2 . . . . 159 R QB . 17289 1 1067 . 1 1 104 104 ARG HB3 H 1 1.974 0.001 . 2 . . . . 159 R QB . 17289 1 1068 . 1 1 104 104 ARG HG2 H 1 1.722 0.002 . 2 . . . . 159 R QG . 17289 1 1069 . 1 1 104 104 ARG HG3 H 1 1.722 0.002 . 2 . . . . 159 R QG . 17289 1 1070 . 1 1 104 104 ARG HD2 H 1 3.288 0.002 . 2 . . . . 159 R QD . 17289 1 1071 . 1 1 104 104 ARG HD3 H 1 3.288 0.002 . 2 . . . . 159 R QD . 17289 1 1072 . 1 1 104 104 ARG CA C 13 60.787 0.3 . 1 . . . . 159 R CA . 17289 1 1073 . 1 1 104 104 ARG CB C 13 29.958 0.3 . 1 . . . . 159 R CB . 17289 1 1074 . 1 1 104 104 ARG CG C 13 26.891 0.158 . 1 . . . . 159 R CG . 17289 1 1075 . 1 1 104 104 ARG CD C 13 42.714 0.036 . 1 . . . . 159 R CD . 17289 1 1076 . 1 1 104 104 ARG N N 15 120.314 0.3 . 1 . . . . 159 R N . 17289 1 1077 . 1 1 105 105 ASP H H 1 9.472 0.03 . 1 . . . . 160 D H . 17289 1 1078 . 1 1 105 105 ASP HA H 1 4.368 0.03 . 1 . . . . 160 D HA . 17289 1 1079 . 1 1 105 105 ASP HB2 H 1 2.719 0.001 . 2 . . . . 160 D HB2 . 17289 1 1080 . 1 1 105 105 ASP HB3 H 1 2.618 0.001 . 2 . . . . 160 D HB3 . 17289 1 1081 . 1 1 105 105 ASP CA C 13 56.685 0.3 . 1 . . . . 160 D CA . 17289 1 1082 . 1 1 105 105 ASP CB C 13 40.091 0.001 . 1 . . . . 160 D CB . 17289 1 1083 . 1 1 105 105 ASP N N 15 119.664 0.3 . 1 . . . . 160 D N . 17289 1 1084 . 1 1 106 106 ASN H H 1 6.993 0.004 . 1 . . . . 161 N H . 17289 1 1085 . 1 1 106 106 ASN HA H 1 4.792 0.003 . 1 . . . . 161 N HA . 17289 1 1086 . 1 1 106 106 ASN HB2 H 1 2.649 0.005 . 2 . . . . 161 N HB2 . 17289 1 1087 . 1 1 106 106 ASN HB3 H 1 2.298 0.004 . 2 . . . . 161 N HB3 . 17289 1 1088 . 1 1 106 106 ASN HD21 H 1 8.209 0.03 . 2 . . . . 161 N HD21 . 17289 1 1089 . 1 1 106 106 ASN HD22 H 1 6.832 0.004 . 2 . . . . 161 N HD22 . 17289 1 1090 . 1 1 106 106 ASN CA C 13 53.405 0.3 . 1 . . . . 161 N CA . 17289 1 1091 . 1 1 106 106 ASN CB C 13 40.817 0.004 . 1 . . . . 161 N CB . 17289 1 1092 . 1 1 106 106 ASN N N 15 113.581 0.3 . 1 . . . . 161 N N . 17289 1 1093 . 1 1 106 106 ASN ND2 N 15 116.625 0.010 . 1 . . . . 161 N ND2 . 17289 1 1094 . 1 1 107 107 ASN H H 1 8.000 0.002 . 1 . . . . 162 N H . 17289 1 1095 . 1 1 107 107 ASN HA H 1 4.263 0.006 . 1 . . . . 162 N HA . 17289 1 1096 . 1 1 107 107 ASN HB2 H 1 3.100 0.007 . 2 . . . . 162 N HB2 . 17289 1 1097 . 1 1 107 107 ASN HB3 H 1 2.544 0.008 . 2 . . . . 162 N HB3 . 17289 1 1098 . 1 1 107 107 ASN HD21 H 1 6.770 0.004 . 2 . . . . 162 N HD21 . 17289 1 1099 . 1 1 107 107 ASN HD22 H 1 7.570 0.001 . 2 . . . . 162 N HD22 . 17289 1 1100 . 1 1 107 107 ASN CA C 13 54.020 0.3 . 1 . . . . 162 N CA . 17289 1 1101 . 1 1 107 107 ASN CB C 13 37.497 0.042 . 1 . . . . 162 N CB . 17289 1 1102 . 1 1 107 107 ASN N N 15 119.089 0.3 . 1 . . . . 162 N N . 17289 1 1103 . 1 1 107 107 ASN ND2 N 15 111.365 0.3 . 1 . . . . 162 N ND2 . 17289 1 1104 . 1 1 108 108 VAL H H 1 7.855 0.002 . 1 . . . . 163 V H . 17289 1 1105 . 1 1 108 108 VAL HA H 1 3.624 0.001 . 1 . . . . 163 V HA . 17289 1 1106 . 1 1 108 108 VAL HB H 1 1.600 0.03 . 1 . . . . 163 V HB . 17289 1 1107 . 1 1 108 108 VAL HG11 H 1 0.671 0.002 . 2 . . . . 163 V QG1 . 17289 1 1108 . 1 1 108 108 VAL HG12 H 1 0.671 0.002 . 2 . . . . 163 V QG1 . 17289 1 1109 . 1 1 108 108 VAL HG13 H 1 0.671 0.002 . 2 . . . . 163 V QG1 . 17289 1 1110 . 1 1 108 108 VAL HG21 H 1 0.418 0.002 . 2 . . . . 163 V QG2 . 17289 1 1111 . 1 1 108 108 VAL HG22 H 1 0.418 0.002 . 2 . . . . 163 V QG2 . 17289 1 1112 . 1 1 108 108 VAL HG23 H 1 0.418 0.002 . 2 . . . . 163 V QG2 . 17289 1 1113 . 1 1 108 108 VAL CA C 13 64.261 0.3 . 1 . . . . 163 V CA . 17289 1 1114 . 1 1 108 108 VAL CB C 13 30.500 0.3 . 1 . . . . 163 V CB . 17289 1 1115 . 1 1 108 108 VAL CG1 C 13 23.618 0.3 . 2 . . . . 163 V CG1 . 17289 1 1116 . 1 1 108 108 VAL CG2 C 13 21.459 0.3 . 2 . . . . 163 V CG2 . 17289 1 1117 . 1 1 108 108 VAL N N 15 118.297 0.3 . 1 . . . . 163 V N . 17289 1 1118 . 1 1 109 109 LYS H H 1 8.079 0.001 . 1 . . . . 164 K H . 17289 1 1119 . 1 1 109 109 LYS HA H 1 4.967 0.004 . 1 . . . . 164 K HA . 17289 1 1120 . 1 1 109 109 LYS HB2 H 1 1.969 0.001 . 2 . . . . 164 K HB2 . 17289 1 1121 . 1 1 109 109 LYS HB3 H 1 1.713 0.001 . 2 . . . . 164 K HB3 . 17289 1 1122 . 1 1 109 109 LYS HG2 H 1 1.570 0.03 . 2 . . . . 164 K HG2 . 17289 1 1123 . 1 1 109 109 LYS HG3 H 1 1.448 0.001 . 2 . . . . 164 K HG3 . 17289 1 1124 . 1 1 109 109 LYS HD2 H 1 1.732 0.001 . 2 . . . . 164 K QD . 17289 1 1125 . 1 1 109 109 LYS HD3 H 1 1.732 0.001 . 2 . . . . 164 K QD . 17289 1 1126 . 1 1 109 109 LYS HE2 H 1 3.102 0.006 . 2 . . . . 164 K HE2 . 17289 1 1127 . 1 1 109 109 LYS HE3 H 1 3.038 0.03 . 2 . . . . 164 K HE3 . 17289 1 1128 . 1 1 109 109 LYS CA C 13 54.089 0.3 . 1 . . . . 164 K CA . 17289 1 1129 . 1 1 109 109 LYS CB C 13 33.926 0.004 . 1 . . . . 164 K CB . 17289 1 1130 . 1 1 109 109 LYS CG C 13 23.074 0.001 . 1 . . . . 164 K CG . 17289 1 1131 . 1 1 109 109 LYS CD C 13 29.832 0.3 . 1 . . . . 164 K CD . 17289 1 1132 . 1 1 109 109 LYS CE C 13 41.889 0.3 . 1 . . . . 164 K CE . 17289 1 1133 . 1 1 109 109 LYS N N 15 122.488 0.3 . 1 . . . . 164 K N . 17289 1 1134 . 1 1 110 110 GLY H H 1 8.129 0.03 . 1 . . . . 165 G H . 17289 1 1135 . 1 1 110 110 GLY HA2 H 1 3.585 0.03 . 2 . . . . 165 G HA2 . 17289 1 1136 . 1 1 110 110 GLY HA3 H 1 4.310 0.03 . 2 . . . . 165 G HA3 . 17289 1 1137 . 1 1 110 110 GLY CA C 13 48.939 0.027 . 1 . . . . 165 G CA . 17289 1 1138 . 1 1 110 110 GLY N N 15 108.155 0.3 . 1 . . . . 165 G N . 17289 1 1139 . 1 1 111 111 THR H H 1 7.419 0.03 . 1 . . . . 166 T H . 17289 1 1140 . 1 1 111 111 THR HA H 1 3.878 0.03 . 1 . . . . 166 T HA . 17289 1 1141 . 1 1 111 111 THR HB H 1 4.069 0.03 . 1 . . . . 166 T HB . 17289 1 1142 . 1 1 111 111 THR HG21 H 1 1.332 0.002 . 1 . . . . 166 T QG2 . 17289 1 1143 . 1 1 111 111 THR HG22 H 1 1.332 0.002 . 1 . . . . 166 T QG2 . 17289 1 1144 . 1 1 111 111 THR HG23 H 1 1.332 0.002 . 1 . . . . 166 T QG2 . 17289 1 1145 . 1 1 111 111 THR CA C 13 63.177 0.3 . 1 . . . . 166 T CA . 17289 1 1146 . 1 1 111 111 THR CB C 13 68.642 0.3 . 1 . . . . 166 T CB . 17289 1 1147 . 1 1 111 111 THR CG2 C 13 25.026 0.3 . 1 . . . . 166 T CG2 . 17289 1 1148 . 1 1 111 111 THR N N 15 105.553 0.3 . 1 . . . . 166 T N . 17289 1 1149 . 1 1 112 112 THR H H 1 8.038 0.03 . 1 . . . . 167 T H . 17289 1 1150 . 1 1 112 112 THR HA H 1 4.012 0.007 . 1 . . . . 167 T HA . 17289 1 1151 . 1 1 112 112 THR HB H 1 4.108 0.03 . 1 . . . . 167 T HB . 17289 1 1152 . 1 1 112 112 THR HG21 H 1 1.267 0.03 . 1 . . . . 167 T QG2 . 17289 1 1153 . 1 1 112 112 THR HG22 H 1 1.267 0.03 . 1 . . . . 167 T QG2 . 17289 1 1154 . 1 1 112 112 THR HG23 H 1 1.267 0.03 . 1 . . . . 167 T QG2 . 17289 1 1155 . 1 1 112 112 THR CA C 13 63.246 0.3 . 1 . . . . 167 T CA . 17289 1 1156 . 1 1 112 112 THR CB C 13 68.783 0.3 . 1 . . . . 167 T CB . 17289 1 1157 . 1 1 112 112 THR CG2 C 13 21.557 0.3 . 1 . . . . 167 T CG2 . 17289 1 1158 . 1 1 112 112 THR N N 15 116.739 0.3 . 1 . . . . 167 T N . 17289 1 1159 . 1 1 113 113 LEU H H 1 7.603 0.001 . 1 . . . . 168 L H . 17289 1 1160 . 1 1 113 113 LEU HA H 1 4.549 0.003 . 1 . . . . 168 L HA . 17289 1 1161 . 1 1 113 113 LEU HB2 H 1 2.209 0.03 . 2 . . . . 168 L QB . 17289 1 1162 . 1 1 113 113 LEU HB3 H 1 2.209 0.03 . 2 . . . . 168 L QB . 17289 1 1163 . 1 1 113 113 LEU HD11 H 1 1.043 0.001 . 2 . . . . 168 L QD1 . 17289 1 1164 . 1 1 113 113 LEU HD12 H 1 1.043 0.001 . 2 . . . . 168 L QD1 . 17289 1 1165 . 1 1 113 113 LEU HD13 H 1 1.043 0.001 . 2 . . . . 168 L QD1 . 17289 1 1166 . 1 1 113 113 LEU HD21 H 1 0.899 0.001 . 2 . . . . 168 L QD2 . 17289 1 1167 . 1 1 113 113 LEU HD22 H 1 0.899 0.001 . 2 . . . . 168 L QD2 . 17289 1 1168 . 1 1 113 113 LEU HD23 H 1 0.899 0.001 . 2 . . . . 168 L QD2 . 17289 1 1169 . 1 1 113 113 LEU CA C 13 58.623 0.3 . 1 . . . . 168 L CA . 17289 1 1170 . 1 1 113 113 LEU CB C 13 35.702 0.3 . 1 . . . . 168 L CB . 17289 1 1171 . 1 1 113 113 LEU CD1 C 13 22.402 0.3 . 2 . . . . 168 L CD1 . 17289 1 1172 . 1 1 113 113 LEU CD2 C 13 18.684 0.3 . 2 . . . . 168 L CD2 . 17289 1 1173 . 1 1 113 113 LEU N N 15 118.535 0.3 . 1 . . . . 168 L N . 17289 1 1174 . 1 1 114 114 PRO HA H 1 3.644 0.001 . 1 . . . . 169 P HA . 17289 1 1175 . 1 1 114 114 PRO HB2 H 1 1.464 0.018 . 2 . . . . 169 P QB . 17289 1 1176 . 1 1 114 114 PRO HB3 H 1 1.464 0.018 . 2 . . . . 169 P QB . 17289 1 1177 . 1 1 114 114 PRO CA C 13 66.740 0.3 . 1 . . . . 169 P CA . 17289 1 1178 . 1 1 114 114 PRO CB C 13 31.780 0.3 . 1 . . . . 169 P CB . 17289 1 1179 . 1 1 115 115 ARG H H 1 7.409 0.03 . 1 . . . . 170 R H . 17289 1 1180 . 1 1 115 115 ARG N N 15 109.686 0.3 . 1 . . . . 170 R N . 17289 1 1181 . 1 1 116 116 ILE HA H 1 4.051 0.03 . 1 . . . . 171 I HA . 17289 1 1182 . 1 1 116 116 ILE HB H 1 1.466 0.003 . 1 . . . . 171 I HB . 17289 1 1183 . 1 1 116 116 ILE HG12 H 1 1.137 0.004 . 1 . . . . 171 I HG12 . 17289 1 1184 . 1 1 116 116 ILE HG13 H 1 0.481 0.003 . 1 . . . . 171 I HG13 . 17289 1 1185 . 1 1 116 116 ILE HG21 H 1 0.506 0.001 . 1 . . . . 171 I QG2 . 17289 1 1186 . 1 1 116 116 ILE HG22 H 1 0.506 0.001 . 1 . . . . 171 I QG2 . 17289 1 1187 . 1 1 116 116 ILE HG23 H 1 0.506 0.001 . 1 . . . . 171 I QG2 . 17289 1 1188 . 1 1 116 116 ILE HD11 H 1 0.213 0.002 . 1 . . . . 171 I QD1 . 17289 1 1189 . 1 1 116 116 ILE HD12 H 1 0.213 0.002 . 1 . . . . 171 I QD1 . 17289 1 1190 . 1 1 116 116 ILE HD13 H 1 0.213 0.002 . 1 . . . . 171 I QD1 . 17289 1 1191 . 1 1 116 116 ILE CA C 13 60.175 0.3 . 1 . . . . 171 I CA . 17289 1 1192 . 1 1 116 116 ILE CB C 13 36.016 0.3 . 1 . . . . 171 I CB . 17289 1 1193 . 1 1 116 116 ILE CG1 C 13 26.174 0.007 . 1 . . . . 171 I CG1 . 17289 1 1194 . 1 1 116 116 ILE CG2 C 13 16.979 0.3 . 1 . . . . 171 I CG2 . 17289 1 1195 . 1 1 116 116 ILE CD1 C 13 12.298 0.3 . 1 . . . . 171 I CD1 . 17289 1 1196 . 1 1 117 117 ALA H H 1 8.305 0.03 . 1 . . . . 172 A H . 17289 1 1197 . 1 1 117 117 ALA HA H 1 4.471 0.001 . 1 . . . . 172 A HA . 17289 1 1198 . 1 1 117 117 ALA HB1 H 1 1.286 0.003 . 1 . . . . 172 A QB . 17289 1 1199 . 1 1 117 117 ALA HB2 H 1 1.286 0.003 . 1 . . . . 172 A QB . 17289 1 1200 . 1 1 117 117 ALA HB3 H 1 1.286 0.003 . 1 . . . . 172 A QB . 17289 1 1201 . 1 1 117 117 ALA CA C 13 52.039 0.3 . 1 . . . . 172 A CA . 17289 1 1202 . 1 1 117 117 ALA CB C 13 19.485 0.3 . 1 . . . . 172 A CB . 17289 1 1203 . 1 1 117 117 ALA N N 15 124.480 0.3 . 1 . . . . 172 A N . 17289 1 1204 . 1 1 118 118 VAL H H 1 6.909 0.003 . 1 . . . . 173 V H . 17289 1 1205 . 1 1 118 118 VAL HA H 1 4.196 0.004 . 1 . . . . 173 V HA . 17289 1 1206 . 1 1 118 118 VAL HB H 1 2.060 0.003 . 1 . . . . 173 V HB . 17289 1 1207 . 1 1 118 118 VAL HG11 H 1 0.935 0.002 . 2 . . . . 173 V QG1 . 17289 1 1208 . 1 1 118 118 VAL HG12 H 1 0.935 0.002 . 2 . . . . 173 V QG1 . 17289 1 1209 . 1 1 118 118 VAL HG13 H 1 0.935 0.002 . 2 . . . . 173 V QG1 . 17289 1 1210 . 1 1 118 118 VAL HG21 H 1 0.776 0.03 . 2 . . . . 173 V QG2 . 17289 1 1211 . 1 1 118 118 VAL HG22 H 1 0.776 0.03 . 2 . . . . 173 V QG2 . 17289 1 1212 . 1 1 118 118 VAL HG23 H 1 0.776 0.03 . 2 . . . . 173 V QG2 . 17289 1 1213 . 1 1 118 118 VAL CA C 13 64.405 0.3 . 1 . . . . 173 V CA . 17289 1 1214 . 1 1 118 118 VAL CB C 13 31.184 0.3 . 1 . . . . 173 V CB . 17289 1 1215 . 1 1 118 118 VAL CG1 C 13 22.429 0.3 . 2 . . . . 173 V CG1 . 17289 1 1216 . 1 1 118 118 VAL CG2 C 13 21.295 0.3 . 2 . . . . 173 V CG2 . 17289 1 1217 . 1 1 118 118 VAL N N 15 109.011 0.3 . 1 . . . . 173 V N . 17289 1 1218 . 1 1 119 119 HIS H H 1 8.320 0.004 . 1 . . . . 174 H H . 17289 1 1219 . 1 1 119 119 HIS HA H 1 4.358 0.03 . 1 . . . . 174 H HA . 17289 1 1220 . 1 1 119 119 HIS HB2 H 1 1.805 0.03 . 2 . . . . 174 H QB . 17289 1 1221 . 1 1 119 119 HIS HB3 H 1 1.805 0.03 . 2 . . . . 174 H QB . 17289 1 1222 . 1 1 119 119 HIS CA C 13 55.797 0.3 . 1 . . . . 174 H CA . 17289 1 1223 . 1 1 119 119 HIS CB C 13 33.087 0.3 . 1 . . . . 174 H CB . 17289 1 1224 . 1 1 119 119 HIS N N 15 115.531 0.3 . 1 . . . . 174 H N . 17289 1 1225 . 1 1 120 120 GLU H H 1 8.211 0.001 . 1 . . . . 175 E H . 17289 1 1226 . 1 1 120 120 GLU N N 15 121.784 0.3 . 1 . . . . 175 E N . 17289 1 1227 . 1 1 122 122 SER H H 1 8.134 0.03 . 1 . . . . 177 S H . 17289 1 1228 . 1 1 122 122 SER HA H 1 4.421 0.002 . 1 . . . . 177 S HA . 17289 1 1229 . 1 1 122 122 SER HB2 H 1 4.011 0.002 . 2 . . . . 177 S HB2 . 17289 1 1230 . 1 1 122 122 SER HB3 H 1 3.933 0.002 . 2 . . . . 177 S HB3 . 17289 1 1231 . 1 1 122 122 SER CA C 13 61.537 0.3 . 1 . . . . 177 S CA . 17289 1 1232 . 1 1 122 122 SER CB C 13 63.719 0.002 . 1 . . . . 177 S CB . 17289 1 1233 . 1 1 122 122 SER N N 15 113.306 0.3 . 1 . . . . 177 S N . 17289 1 1234 . 1 1 123 123 PHE H H 1 7.380 0.002 . 1 . . . . 178 F H . 17289 1 1235 . 1 1 123 123 PHE HA H 1 4.058 0.03 . 1 . . . . 178 F HA . 17289 1 1236 . 1 1 123 123 PHE HB2 H 1 3.728 0.03 . 2 . . . . 178 F QB . 17289 1 1237 . 1 1 123 123 PHE HB3 H 1 3.728 0.03 . 2 . . . . 178 F QB . 17289 1 1238 . 1 1 123 123 PHE CB C 13 42.223 0.3 . 1 . . . . 178 F CB . 17289 1 1239 . 1 1 123 123 PHE N N 15 119.048 0.3 . 1 . . . . 178 F N . 17289 1 1240 . 1 1 124 124 MET H H 1 8.892 0.001 . 1 . . . . 179 M H . 17289 1 1241 . 1 1 124 124 MET HA H 1 3.815 0.001 . 1 . . . . 179 M HA . 17289 1 1242 . 1 1 124 124 MET HE1 H 1 2.330 0.001 . 1 . . . . 179 M QE . 17289 1 1243 . 1 1 124 124 MET HE2 H 1 2.330 0.001 . 1 . . . . 179 M QE . 17289 1 1244 . 1 1 124 124 MET HE3 H 1 2.330 0.001 . 1 . . . . 179 M QE . 17289 1 1245 . 1 1 124 124 MET CA C 13 58.940 0.3 . 1 . . . . 179 M CA . 17289 1 1246 . 1 1 124 124 MET CE C 13 17.568 0.3 . 1 . . . . 179 M CE . 17289 1 1247 . 1 1 124 124 MET N N 15 120.144 0.3 . 1 . . . . 179 M N . 17289 1 1248 . 1 1 125 125 ILE H H 1 7.122 0.001 . 1 . . . . 180 I H . 17289 1 1249 . 1 1 125 125 ILE HA H 1 3.607 0.03 . 1 . . . . 180 I HA . 17289 1 1250 . 1 1 125 125 ILE HB H 1 1.735 0.03 . 1 . . . . 180 I HB . 17289 1 1251 . 1 1 125 125 ILE HG12 H 1 1.611 0.002 . 1 . . . . 180 I QG1 . 17289 1 1252 . 1 1 125 125 ILE HG13 H 1 1.611 0.002 . 1 . . . . 180 I QG1 . 17289 1 1253 . 1 1 125 125 ILE HG21 H 1 0.833 0.03 . 1 . . . . 180 I QG2 . 17289 1 1254 . 1 1 125 125 ILE HG22 H 1 0.833 0.03 . 1 . . . . 180 I QG2 . 17289 1 1255 . 1 1 125 125 ILE HG23 H 1 0.833 0.03 . 1 . . . . 180 I QG2 . 17289 1 1256 . 1 1 125 125 ILE HD11 H 1 0.763 0.03 . 1 . . . . 180 I QD1 . 17289 1 1257 . 1 1 125 125 ILE HD12 H 1 0.763 0.03 . 1 . . . . 180 I QD1 . 17289 1 1258 . 1 1 125 125 ILE HD13 H 1 0.763 0.03 . 1 . . . . 180 I QD1 . 17289 1 1259 . 1 1 125 125 ILE CA C 13 64.366 0.3 . 1 . . . . 180 I CA . 17289 1 1260 . 1 1 125 125 ILE CB C 13 37.934 0.3 . 1 . . . . 180 I CB . 17289 1 1261 . 1 1 125 125 ILE CG1 C 13 29.415 0.3 . 1 . . . . 180 I CG1 . 17289 1 1262 . 1 1 125 125 ILE CG2 C 13 13.292 0.3 . 1 . . . . 180 I CG2 . 17289 1 1263 . 1 1 125 125 ILE CD1 C 13 16.976 0.3 . 1 . . . . 180 I CD1 . 17289 1 1264 . 1 1 125 125 ILE N N 15 116.434 0.3 . 1 . . . . 180 I N . 17289 1 1265 . 1 1 126 126 SER HA H 1 3.938 0.03 . 1 . . . . 181 S HA . 17289 1 1266 . 1 1 126 126 SER HB2 H 1 3.931 0.03 . 2 . . . . 181 S QB . 17289 1 1267 . 1 1 126 126 SER HB3 H 1 3.931 0.03 . 2 . . . . 181 S QB . 17289 1 1268 . 1 1 126 126 SER CA C 13 63.177 0.3 . 1 . . . . 181 S CA . 17289 1 1269 . 1 1 126 126 SER CB C 13 63.519 0.3 . 1 . . . . 181 S CB . 17289 1 1270 . 1 1 127 127 GLN H H 1 8.185 0.003 . 1 . . . . 182 Q H . 17289 1 1271 . 1 1 127 127 GLN N N 15 122.722 0.3 . 1 . . . . 182 Q N . 17289 1 1272 . 1 1 128 128 LEU HA H 1 4.900 0.005 . 1 . . . . 183 L HA . 17289 1 1273 . 1 1 128 128 LEU HB2 H 1 1.288 0.001 . 2 . . . . 183 L QB . 17289 1 1274 . 1 1 128 128 LEU HB3 H 1 1.288 0.001 . 2 . . . . 183 L QB . 17289 1 1275 . 1 1 128 128 LEU HG H 1 1.270 0.03 . 1 . . . . 183 L HG . 17289 1 1276 . 1 1 128 128 LEU HD11 H 1 0.681 0.003 . 2 . . . . 183 L QD1 . 17289 1 1277 . 1 1 128 128 LEU HD12 H 1 0.681 0.003 . 2 . . . . 183 L QD1 . 17289 1 1278 . 1 1 128 128 LEU HD13 H 1 0.681 0.003 . 2 . . . . 183 L QD1 . 17289 1 1279 . 1 1 128 128 LEU HD21 H 1 0.318 0.002 . 2 . . . . 183 L QD2 . 17289 1 1280 . 1 1 128 128 LEU HD22 H 1 0.318 0.002 . 2 . . . . 183 L QD2 . 17289 1 1281 . 1 1 128 128 LEU HD23 H 1 0.318 0.002 . 2 . . . . 183 L QD2 . 17289 1 1282 . 1 1 128 128 LEU CA C 13 51.444 0.3 . 1 . . . . 183 L CA . 17289 1 1283 . 1 1 128 128 LEU CB C 13 43.084 0.3 . 1 . . . . 183 L CB . 17289 1 1284 . 1 1 128 128 LEU CG C 13 24.994 0.3 . 1 . . . . 183 L CG . 17289 1 1285 . 1 1 128 128 LEU CD1 C 13 26.379 0.3 . 2 . . . . 183 L CD1 . 17289 1 1286 . 1 1 128 128 LEU CD2 C 13 22.198 0.3 . 2 . . . . 183 L CD2 . 17289 1 1287 . 1 1 129 129 LYS HA H 1 4.224 0.002 . 1 . . . . 184 K HA . 17289 1 1288 . 1 1 129 129 LYS HB2 H 1 1.842 0.002 . 2 . . . . 184 K HB2 . 17289 1 1289 . 1 1 129 129 LYS HB3 H 1 1.795 0.03 . 2 . . . . 184 K HB3 . 17289 1 1290 . 1 1 129 129 LYS HG2 H 1 1.505 0.03 . 2 . . . . 184 K HG2 . 17289 1 1291 . 1 1 129 129 LYS HG3 H 1 1.446 0.002 . 2 . . . . 184 K HG3 . 17289 1 1292 . 1 1 129 129 LYS HD2 H 1 1.690 0.001 . 2 . . . . 184 K QD . 17289 1 1293 . 1 1 129 129 LYS HD3 H 1 1.690 0.001 . 2 . . . . 184 K QD . 17289 1 1294 . 1 1 129 129 LYS HE2 H 1 3.001 0.003 . 2 . . . . 184 K QE . 17289 1 1295 . 1 1 129 129 LYS HE3 H 1 3.001 0.003 . 2 . . . . 184 K QE . 17289 1 1296 . 1 1 129 129 LYS CA C 13 56.890 0.3 . 1 . . . . 184 K CA . 17289 1 1297 . 1 1 129 129 LYS CB C 13 32.740 0.002 . 1 . . . . 184 K CB . 17289 1 1298 . 1 1 129 129 LYS CG C 13 24.757 0.004 . 1 . . . . 184 K CG . 17289 1 1299 . 1 1 129 129 LYS CD C 13 28.770 0.3 . 1 . . . . 184 K CD . 17289 1 1300 . 1 1 129 129 LYS CE C 13 41.778 0.013 . 1 . . . . 184 K CE . 17289 1 1301 . 1 1 130 130 ILE HA H 1 3.896 0.001 . 1 . . . . 185 I HA . 17289 1 1302 . 1 1 130 130 ILE HB H 1 1.388 0.03 . 1 . . . . 185 I HB . 17289 1 1303 . 1 1 130 130 ILE HG12 H 1 1.204 0.001 . 1 . . . . 185 I QG1 . 17289 1 1304 . 1 1 130 130 ILE HG13 H 1 1.204 0.001 . 1 . . . . 185 I QG1 . 17289 1 1305 . 1 1 130 130 ILE HG21 H 1 0.584 0.002 . 1 . . . . 185 I QG2 . 17289 1 1306 . 1 1 130 130 ILE HG22 H 1 0.584 0.002 . 1 . . . . 185 I QG2 . 17289 1 1307 . 1 1 130 130 ILE HG23 H 1 0.584 0.002 . 1 . . . . 185 I QG2 . 17289 1 1308 . 1 1 130 130 ILE HD11 H 1 0.272 0.003 . 1 . . . . 185 I QD1 . 17289 1 1309 . 1 1 130 130 ILE HD12 H 1 0.272 0.003 . 1 . . . . 185 I QD1 . 17289 1 1310 . 1 1 130 130 ILE HD13 H 1 0.272 0.003 . 1 . . . . 185 I QD1 . 17289 1 1311 . 1 1 130 130 ILE CA C 13 60.980 0.3 . 1 . . . . 185 I CA . 17289 1 1312 . 1 1 130 130 ILE CB C 13 36.630 0.3 . 1 . . . . 185 I CB . 17289 1 1313 . 1 1 130 130 ILE CG1 C 13 25.858 0.3 . 1 . . . . 185 I CG1 . 17289 1 1314 . 1 1 130 130 ILE CG2 C 13 16.867 0.3 . 1 . . . . 185 I CG2 . 17289 1 1315 . 1 1 130 130 ILE CD1 C 13 13.217 0.3 . 1 . . . . 185 I CD1 . 17289 1 1316 . 1 1 131 131 SER HA H 1 4.081 0.004 . 1 . . . . 186 S HA . 17289 1 1317 . 1 1 131 131 SER HB2 H 1 3.925 0.001 . 2 . . . . 186 S HB2 . 17289 1 1318 . 1 1 131 131 SER HB3 H 1 3.799 0.004 . 2 . . . . 186 S HB3 . 17289 1 1319 . 1 1 131 131 SER CA C 13 59.624 0.3 . 1 . . . . 186 S CA . 17289 1 1320 . 1 1 131 131 SER CB C 13 63.377 0.002 . 1 . . . . 186 S CB . 17289 1 1321 . 1 1 132 132 ASP H H 1 8.015 0.002 . 1 . . . . 187 D H . 17289 1 1322 . 1 1 132 132 ASP N N 15 124.011 0.3 . 1 . . . . 187 D N . 17289 1 1323 . 1 1 133 133 ARG HA H 1 3.718 0.003 . 1 . . . . 188 R HA . 17289 1 1324 . 1 1 133 133 ARG HB2 H 1 1.934 0.002 . 2 . . . . 188 R HB2 . 17289 1 1325 . 1 1 133 133 ARG HB3 H 1 1.858 0.003 . 2 . . . . 188 R HB3 . 17289 1 1326 . 1 1 133 133 ARG HG2 H 1 1.685 0.005 . 2 . . . . 188 R QG . 17289 1 1327 . 1 1 133 133 ARG HG3 H 1 1.685 0.005 . 2 . . . . 188 R QG . 17289 1 1328 . 1 1 133 133 ARG HD2 H 1 3.200 0.003 . 2 . . . . 188 R QD . 17289 1 1329 . 1 1 133 133 ARG HD3 H 1 3.200 0.003 . 2 . . . . 188 R QD . 17289 1 1330 . 1 1 133 133 ARG CA C 13 60.012 0.3 . 1 . . . . 188 R CA . 17289 1 1331 . 1 1 133 133 ARG CB C 13 30.359 0.019 . 1 . . . . 188 R CB . 17289 1 1332 . 1 1 133 133 ARG CG C 13 26.791 0.3 . 1 . . . . 188 R CG . 17289 1 1333 . 1 1 133 133 ARG CD C 13 43.211 0.3 . 1 . . . . 188 R CD . 17289 1 1334 . 1 1 134 134 SER H H 1 8.372 0.001 . 1 . . . . 189 S H . 17289 1 1335 . 1 1 134 134 SER HA H 1 3.981 0.002 . 1 . . . . 189 S HA . 17289 1 1336 . 1 1 134 134 SER HB2 H 1 4.163 0.001 . 2 . . . . 189 S QB . 17289 1 1337 . 1 1 134 134 SER HB3 H 1 4.163 0.001 . 2 . . . . 189 S QB . 17289 1 1338 . 1 1 134 134 SER CA C 13 62.079 0.3 . 1 . . . . 189 S CA . 17289 1 1339 . 1 1 134 134 SER CB C 13 62.530 0.004 . 1 . . . . 189 S CB . 17289 1 1340 . 1 1 134 134 SER N N 15 117.320 0.3 . 1 . . . . 189 S N . 17289 1 1341 . 1 1 135 135 HIS H H 1 8.452 0.001 . 1 . . . . 190 H H . 17289 1 1342 . 1 1 135 135 HIS HA H 1 4.508 0.001 . 1 . . . . 190 H HA . 17289 1 1343 . 1 1 135 135 HIS HB2 H 1 3.003 0.006 . 2 . . . . 190 H QB . 17289 1 1344 . 1 1 135 135 HIS HB3 H 1 3.003 0.006 . 2 . . . . 190 H QB . 17289 1 1345 . 1 1 135 135 HIS HD2 H 1 6.846 0.03 . 1 . . . . 190 H HD2 . 17289 1 1346 . 1 1 135 135 HIS CA C 13 57.088 0.3 . 1 . . . . 190 H CA . 17289 1 1347 . 1 1 135 135 HIS CB C 13 30.919 0.3 . 1 . . . . 190 H CB . 17289 1 1348 . 1 1 135 135 HIS N N 15 125.114 0.3 . 1 . . . . 190 H N . 17289 1 1349 . 1 1 136 136 ARG H H 1 8.290 0.03 . 1 . . . . 191 R H . 17289 1 1350 . 1 1 136 136 ARG HA H 1 3.871 0.03 . 1 . . . . 191 R HA . 17289 1 1351 . 1 1 136 136 ARG CA C 13 61.427 0.3 . 1 . . . . 191 R CA . 17289 1 1352 . 1 1 136 136 ARG N N 15 118.034 0.3 . 1 . . . . 191 R N . 17289 1 1353 . 1 1 137 137 GLN H H 1 8.282 0.03 . 1 . . . . 192 Q H . 17289 1 1354 . 1 1 137 137 GLN HA H 1 4.218 0.002 . 1 . . . . 192 Q HA . 17289 1 1355 . 1 1 137 137 GLN HB2 H 1 2.234 0.004 . 2 . . . . 192 Q HB2 . 17289 1 1356 . 1 1 137 137 GLN HB3 H 1 2.242 0.002 . 2 . . . . 192 Q HB3 . 17289 1 1357 . 1 1 137 137 GLN HG2 H 1 2.633 0.004 . 2 . . . . 192 Q HG2 . 17289 1 1358 . 1 1 137 137 GLN HG3 H 1 2.451 0.006 . 2 . . . . 192 Q HG3 . 17289 1 1359 . 1 1 137 137 GLN HE21 H 1 7.554 0.002 . 2 . . . . 192 Q HE21 . 17289 1 1360 . 1 1 137 137 GLN HE22 H 1 6.869 0.03 . 2 . . . . 192 Q HE22 . 17289 1 1361 . 1 1 137 137 GLN CA C 13 59.009 0.3 . 1 . . . . 192 Q CA . 17289 1 1362 . 1 1 137 137 GLN CB C 13 28.463 0.011 . 1 . . . . 192 Q CB . 17289 1 1363 . 1 1 137 137 GLN CG C 13 34.463 0.002 . 1 . . . . 192 Q CG . 17289 1 1364 . 1 1 137 137 GLN N N 15 117.566 0.3 . 1 . . . . 192 Q N . 17289 1 1365 . 1 1 137 137 GLN NE2 N 15 111.664 0.008 . 1 . . . . 192 Q NE2 . 17289 1 1366 . 1 1 138 138 LYS H H 1 7.892 0.001 . 1 . . . . 193 K H . 17289 1 1367 . 1 1 138 138 LYS HA H 1 4.163 0.003 . 1 . . . . 193 K HA . 17289 1 1368 . 1 1 138 138 LYS HB2 H 1 1.950 0.001 . 2 . . . . 193 K HB2 . 17289 1 1369 . 1 1 138 138 LYS HB3 H 1 2.046 0.001 . 2 . . . . 193 K HB3 . 17289 1 1370 . 1 1 138 138 LYS HG2 H 1 1.600 0.03 . 2 . . . . 193 K HG2 . 17289 1 1371 . 1 1 138 138 LYS HG3 H 1 1.520 0.001 . 2 . . . . 193 K HG3 . 17289 1 1372 . 1 1 138 138 LYS HD2 H 1 1.719 0.03 . 2 . . . . 193 K QD . 17289 1 1373 . 1 1 138 138 LYS HD3 H 1 1.719 0.03 . 2 . . . . 193 K QD . 17289 1 1374 . 1 1 138 138 LYS HE2 H 1 2.996 0.002 . 2 . . . . 193 K QE . 17289 1 1375 . 1 1 138 138 LYS HE3 H 1 2.996 0.002 . 2 . . . . 193 K QE . 17289 1 1376 . 1 1 138 138 LYS CA C 13 59.912 0.3 . 1 . . . . 193 K CA . 17289 1 1377 . 1 1 138 138 LYS CB C 13 32.730 0.3 . 1 . . . . 193 K CB . 17289 1 1378 . 1 1 138 138 LYS CG C 13 25.555 0.3 . 1 . . . . 193 K CG . 17289 1 1379 . 1 1 138 138 LYS CD C 13 29.460 0.3 . 1 . . . . 193 K CD . 17289 1 1380 . 1 1 138 138 LYS CE C 13 41.818 0.3 . 1 . . . . 193 K CE . 17289 1 1381 . 1 1 138 138 LYS N N 15 120.800 0.3 . 1 . . . . 193 K N . 17289 1 1382 . 1 1 139 139 LEU H H 1 8.332 0.002 . 1 . . . . 194 L H . 17289 1 1383 . 1 1 139 139 LEU HA H 1 3.788 0.002 . 1 . . . . 194 L HA . 17289 1 1384 . 1 1 139 139 LEU HB2 H 1 1.811 0.003 . 2 . . . . 194 L QB . 17289 1 1385 . 1 1 139 139 LEU HB3 H 1 1.811 0.003 . 2 . . . . 194 L QB . 17289 1 1386 . 1 1 139 139 LEU HG H 1 1.782 0.003 . 1 . . . . 194 L HG . 17289 1 1387 . 1 1 139 139 LEU HD11 H 1 0.366 0.002 . 2 . . . . 194 L QD1 . 17289 1 1388 . 1 1 139 139 LEU HD12 H 1 0.366 0.002 . 2 . . . . 194 L QD1 . 17289 1 1389 . 1 1 139 139 LEU HD13 H 1 0.366 0.002 . 2 . . . . 194 L QD1 . 17289 1 1390 . 1 1 139 139 LEU HD21 H 1 0.349 0.004 . 2 . . . . 194 L QD2 . 17289 1 1391 . 1 1 139 139 LEU HD22 H 1 0.349 0.004 . 2 . . . . 194 L QD2 . 17289 1 1392 . 1 1 139 139 LEU HD23 H 1 0.349 0.004 . 2 . . . . 194 L QD2 . 17289 1 1393 . 1 1 139 139 LEU CA C 13 59.676 0.3 . 1 . . . . 194 L CA . 17289 1 1394 . 1 1 139 139 LEU CB C 13 39.763 0.3 . 1 . . . . 194 L CB . 17289 1 1395 . 1 1 139 139 LEU CG C 13 26.652 0.3 . 1 . . . . 194 L CG . 17289 1 1396 . 1 1 139 139 LEU CD1 C 13 25.982 0.3 . 2 . . . . 194 L CD1 . 17289 1 1397 . 1 1 139 139 LEU CD2 C 13 22.452 0.3 . 2 . . . . 194 L CD2 . 17289 1 1398 . 1 1 139 139 LEU N N 15 118.800 0.3 . 1 . . . . 194 L N . 17289 1 1399 . 1 1 140 140 GLN HA H 1 4.258 0.03 . 1 . . . . 195 Q HA . 17289 1 1400 . 1 1 140 140 GLN HB2 H 1 2.084 0.006 . 2 . . . . 195 Q QB . 17289 1 1401 . 1 1 140 140 GLN HB3 H 1 2.084 0.006 . 2 . . . . 195 Q QB . 17289 1 1402 . 1 1 140 140 GLN HG2 H 1 2.373 0.03 . 2 . . . . 195 Q QG . 17289 1 1403 . 1 1 140 140 GLN HG3 H 1 2.373 0.03 . 2 . . . . 195 Q QG . 17289 1 1404 . 1 1 140 140 GLN CA C 13 59.350 0.3 . 1 . . . . 195 Q CA . 17289 1 1405 . 1 1 140 140 GLN CB C 13 27.449 0.3 . 1 . . . . 195 Q CB . 17289 1 1406 . 1 1 140 140 GLN CG C 13 32.666 0.3 . 1 . . . . 195 Q CG . 17289 1 1407 . 1 1 141 141 LEU H H 1 8.000 0.03 . 1 . . . . 196 L H . 17289 1 1408 . 1 1 141 141 LEU HA H 1 4.148 0.002 . 1 . . . . 196 L HA . 17289 1 1409 . 1 1 141 141 LEU HB2 H 1 1.964 0.03 . 2 . . . . 196 L HB2 . 17289 1 1410 . 1 1 141 141 LEU HB3 H 1 1.869 0.004 . 2 . . . . 196 L HB3 . 17289 1 1411 . 1 1 141 141 LEU HG H 1 1.898 0.03 . 1 . . . . 196 L HG . 17289 1 1412 . 1 1 141 141 LEU HD11 H 1 0.991 0.001 . 2 . . . . 196 L QD1 . 17289 1 1413 . 1 1 141 141 LEU HD12 H 1 0.991 0.001 . 2 . . . . 196 L QD1 . 17289 1 1414 . 1 1 141 141 LEU HD13 H 1 0.991 0.001 . 2 . . . . 196 L QD1 . 17289 1 1415 . 1 1 141 141 LEU CA C 13 58.053 0.3 . 1 . . . . 196 L CA . 17289 1 1416 . 1 1 141 141 LEU CB C 13 42.168 0.001 . 1 . . . . 196 L CB . 17289 1 1417 . 1 1 141 141 LEU CG C 13 27.221 0.3 . 1 . . . . 196 L CG . 17289 1 1418 . 1 1 141 141 LEU CD1 C 13 24.526 0.3 . 2 . . . . 196 L CD1 . 17289 1 1419 . 1 1 141 141 LEU N N 15 119.500 0.3 . 1 . . . . 196 L N . 17289 1 1420 . 1 1 142 142 LYS H H 1 8.563 0.03 . 1 . . . . 197 K H . 17289 1 1421 . 1 1 142 142 LYS HA H 1 4.540 0.003 . 1 . . . . 197 K HA . 17289 1 1422 . 1 1 142 142 LYS HB2 H 1 2.203 0.007 . 2 . . . . 197 K QB . 17289 1 1423 . 1 1 142 142 LYS HB3 H 1 2.203 0.007 . 2 . . . . 197 K QB . 17289 1 1424 . 1 1 142 142 LYS HG2 H 1 1.897 0.003 . 2 . . . . 197 K QG . 17289 1 1425 . 1 1 142 142 LYS HG3 H 1 1.897 0.003 . 2 . . . . 197 K QG . 17289 1 1426 . 1 1 142 142 LYS HD2 H 1 1.580 0.003 . 2 . . . . 197 K QD . 17289 1 1427 . 1 1 142 142 LYS HD3 H 1 1.580 0.003 . 2 . . . . 197 K QD . 17289 1 1428 . 1 1 142 142 LYS HE2 H 1 2.888 0.001 . 2 . . . . 197 K QE . 17289 1 1429 . 1 1 142 142 LYS HE3 H 1 2.888 0.001 . 2 . . . . 197 K QE . 17289 1 1430 . 1 1 142 142 LYS CA C 13 57.674 0.3 . 1 . . . . 197 K CA . 17289 1 1431 . 1 1 142 142 LYS CB C 13 31.746 0.3 . 1 . . . . 197 K CB . 17289 1 1432 . 1 1 142 142 LYS CG C 13 25.448 0.3 . 1 . . . . 197 K CG . 17289 1 1433 . 1 1 142 142 LYS CD C 13 27.876 0.3 . 1 . . . . 197 K CD . 17289 1 1434 . 1 1 142 142 LYS CE C 13 42.112 0.3 . 1 . . . . 197 K CE . 17289 1 1435 . 1 1 142 142 LYS N N 15 117.283 0.3 . 1 . . . . 197 K N . 17289 1 1436 . 1 1 143 143 ALA H H 1 9.400 0.03 . 1 . . . . 198 A H . 17289 1 1437 . 1 1 143 143 ALA HA H 1 4.387 0.002 . 1 . . . . 198 A HA . 17289 1 1438 . 1 1 143 143 ALA HB1 H 1 1.522 0.001 . 1 . . . . 198 A QB . 17289 1 1439 . 1 1 143 143 ALA HB2 H 1 1.522 0.001 . 1 . . . . 198 A QB . 17289 1 1440 . 1 1 143 143 ALA HB3 H 1 1.522 0.001 . 1 . . . . 198 A QB . 17289 1 1441 . 1 1 143 143 ALA CA C 13 54.977 0.3 . 1 . . . . 198 A CA . 17289 1 1442 . 1 1 143 143 ALA CB C 13 18.452 0.3 . 1 . . . . 198 A CB . 17289 1 1443 . 1 1 143 143 ALA N N 15 124.831 0.3 . 1 . . . . 198 A N . 17289 1 1444 . 1 1 144 144 LEU H H 1 8.793 0.004 . 1 . . . . 199 L H . 17289 1 1445 . 1 1 144 144 LEU HA H 1 3.776 0.002 . 1 . . . . 199 L HA . 17289 1 1446 . 1 1 144 144 LEU HB2 H 1 2.077 0.001 . 2 . . . . 199 L QB . 17289 1 1447 . 1 1 144 144 LEU HB3 H 1 2.077 0.001 . 2 . . . . 199 L QB . 17289 1 1448 . 1 1 144 144 LEU HG H 1 1.889 0.003 . 1 . . . . 199 L HG . 17289 1 1449 . 1 1 144 144 LEU HD11 H 1 1.147 0.002 . 2 . . . . 199 L QD1 . 17289 1 1450 . 1 1 144 144 LEU HD12 H 1 1.147 0.002 . 2 . . . . 199 L QD1 . 17289 1 1451 . 1 1 144 144 LEU HD13 H 1 1.147 0.002 . 2 . . . . 199 L QD1 . 17289 1 1452 . 1 1 144 144 LEU HD21 H 1 1.001 0.03 . 2 . . . . 199 L QD2 . 17289 1 1453 . 1 1 144 144 LEU HD22 H 1 1.001 0.03 . 2 . . . . 199 L QD2 . 17289 1 1454 . 1 1 144 144 LEU HD23 H 1 1.001 0.03 . 2 . . . . 199 L QD2 . 17289 1 1455 . 1 1 144 144 LEU CA C 13 58.715 0.3 . 1 . . . . 199 L CA . 17289 1 1456 . 1 1 144 144 LEU CB C 13 41.742 0.3 . 1 . . . . 199 L CB . 17289 1 1457 . 1 1 144 144 LEU CG C 13 27.363 0.3 . 1 . . . . 199 L CG . 17289 1 1458 . 1 1 144 144 LEU CD1 C 13 25.724 0.3 . 2 . . . . 199 L CD1 . 17289 1 1459 . 1 1 144 144 LEU CD2 C 13 24.643 0.3 . 2 . . . . 199 L CD2 . 17289 1 1460 . 1 1 144 144 LEU N N 15 120.047 0.3 . 1 . . . . 199 L N . 17289 1 1461 . 1 1 145 145 ASP H H 1 7.766 0.002 . 1 . . . . 200 D H . 17289 1 1462 . 1 1 145 145 ASP HA H 1 4.554 0.002 . 1 . . . . 200 D HA . 17289 1 1463 . 1 1 145 145 ASP HB2 H 1 3.281 0.001 . 2 . . . . 200 D HB2 . 17289 1 1464 . 1 1 145 145 ASP HB3 H 1 3.068 0.03 . 2 . . . . 200 D HB3 . 17289 1 1465 . 1 1 145 145 ASP CA C 13 57.351 0.3 . 1 . . . . 200 D CA . 17289 1 1466 . 1 1 145 145 ASP CB C 13 42.606 0.002 . 1 . . . . 200 D CB . 17289 1 1467 . 1 1 145 145 ASP N N 15 115.808 0.3 . 1 . . . . 200 D N . 17289 1 1468 . 1 1 146 146 VAL H H 1 7.472 0.002 . 1 . . . . 201 V H . 17289 1 1469 . 1 1 146 146 VAL HA H 1 4.203 0.004 . 1 . . . . 201 V HA . 17289 1 1470 . 1 1 146 146 VAL HB H 1 2.053 0.002 . 1 . . . . 201 V HB . 17289 1 1471 . 1 1 146 146 VAL HG11 H 1 1.034 0.001 . 2 . . . . 201 V QG1 . 17289 1 1472 . 1 1 146 146 VAL HG12 H 1 1.034 0.001 . 2 . . . . 201 V QG1 . 17289 1 1473 . 1 1 146 146 VAL HG13 H 1 1.034 0.001 . 2 . . . . 201 V QG1 . 17289 1 1474 . 1 1 146 146 VAL HG21 H 1 0.769 0.002 . 2 . . . . 201 V QG2 . 17289 1 1475 . 1 1 146 146 VAL HG22 H 1 0.769 0.002 . 2 . . . . 201 V QG2 . 17289 1 1476 . 1 1 146 146 VAL HG23 H 1 0.769 0.002 . 2 . . . . 201 V QG2 . 17289 1 1477 . 1 1 146 146 VAL CA C 13 64.339 0.3 . 1 . . . . 201 V CA . 17289 1 1478 . 1 1 146 146 VAL CB C 13 31.194 0.3 . 1 . . . . 201 V CB . 17289 1 1479 . 1 1 146 146 VAL CG1 C 13 22.634 0.3 . 2 . . . . 201 V CG1 . 17289 1 1480 . 1 1 146 146 VAL CG2 C 13 20.598 0.3 . 2 . . . . 201 V CG2 . 17289 1 1481 . 1 1 146 146 VAL N N 15 110.785 0.3 . 1 . . . . 201 V N . 17289 1 1482 . 1 1 147 147 VAL H H 1 8.323 0.003 . 1 . . . . 202 V H . 17289 1 1483 . 1 1 147 147 VAL HA H 1 3.627 0.002 . 1 . . . . 202 V HA . 17289 1 1484 . 1 1 147 147 VAL HB H 1 1.762 0.001 . 1 . . . . 202 V HB . 17289 1 1485 . 1 1 147 147 VAL HG11 H 1 0.316 0.002 . 2 . . . . 202 V QG1 . 17289 1 1486 . 1 1 147 147 VAL HG12 H 1 0.316 0.002 . 2 . . . . 202 V QG1 . 17289 1 1487 . 1 1 147 147 VAL HG13 H 1 0.316 0.002 . 2 . . . . 202 V QG1 . 17289 1 1488 . 1 1 147 147 VAL HG21 H 1 0.175 0.005 . 2 . . . . 202 V QG2 . 17289 1 1489 . 1 1 147 147 VAL HG22 H 1 0.175 0.005 . 2 . . . . 202 V QG2 . 17289 1 1490 . 1 1 147 147 VAL HG23 H 1 0.175 0.005 . 2 . . . . 202 V QG2 . 17289 1 1491 . 1 1 147 147 VAL CA C 13 65.843 0.3 . 1 . . . . 202 V CA . 17289 1 1492 . 1 1 147 147 VAL CB C 13 31.503 0.3 . 1 . . . . 202 V CB . 17289 1 1493 . 1 1 147 147 VAL CG1 C 13 23.768 0.3 . 2 . . . . 202 V CG1 . 17289 1 1494 . 1 1 147 147 VAL CG2 C 13 20.336 0.3 . 2 . . . . 202 V CG2 . 17289 1 1495 . 1 1 147 147 VAL N N 15 121.598 0.3 . 1 . . . . 202 V N . 17289 1 1496 . 1 1 148 148 LEU H H 1 7.851 0.03 . 1 . . . . 203 L H . 17289 1 1497 . 1 1 148 148 LEU HA H 1 3.920 0.004 . 1 . . . . 203 L HA . 17289 1 1498 . 1 1 148 148 LEU HB2 H 1 1.000 0.002 . 2 . . . . 203 L HB2 . 17289 1 1499 . 1 1 148 148 LEU HB3 H 1 0.075 0.001 . 2 . . . . 203 L HB3 . 17289 1 1500 . 1 1 148 148 LEU HG H 1 1.406 0.004 . 1 . . . . 203 L HG . 17289 1 1501 . 1 1 148 148 LEU HD11 H 1 0.614 0.001 . 2 . . . . 203 L QD1 . 17289 1 1502 . 1 1 148 148 LEU HD12 H 1 0.614 0.001 . 2 . . . . 203 L QD1 . 17289 1 1503 . 1 1 148 148 LEU HD13 H 1 0.614 0.001 . 2 . . . . 203 L QD1 . 17289 1 1504 . 1 1 148 148 LEU HD21 H 1 0.419 0.003 . 2 . . . . 203 L QD2 . 17289 1 1505 . 1 1 148 148 LEU HD22 H 1 0.419 0.003 . 2 . . . . 203 L QD2 . 17289 1 1506 . 1 1 148 148 LEU HD23 H 1 0.419 0.003 . 2 . . . . 203 L QD2 . 17289 1 1507 . 1 1 148 148 LEU CA C 13 56.480 0.3 . 1 . . . . 203 L CA . 17289 1 1508 . 1 1 148 148 LEU CB C 13 41.857 0.3 . 1 . . . . 203 L CB . 17289 1 1509 . 1 1 148 148 LEU CG C 13 26.748 0.3 . 1 . . . . 203 L CG . 17289 1 1510 . 1 1 148 148 LEU CD1 C 13 26.010 0.3 . 2 . . . . 203 L CD1 . 17289 1 1511 . 1 1 148 148 LEU CD2 C 13 21.827 0.3 . 2 . . . . 203 L CD2 . 17289 1 1512 . 1 1 148 148 LEU N N 15 114.402 0.3 . 1 . . . . 203 L N . 17289 1 1513 . 1 1 149 149 PHE H H 1 7.973 0.004 . 1 . . . . 204 F H . 17289 1 1514 . 1 1 149 149 PHE HA H 1 4.888 0.006 . 1 . . . . 204 F HA . 17289 1 1515 . 1 1 149 149 PHE HB2 H 1 3.388 0.001 . 2 . . . . 204 F HB2 . 17289 1 1516 . 1 1 149 149 PHE HB3 H 1 3.189 0.002 . 2 . . . . 204 F HB3 . 17289 1 1517 . 1 1 149 149 PHE HD1 H 1 7.275 0.3 . 3 . . . . 204 F H . 17289 1 1518 . 1 1 149 149 PHE HD2 H 1 7.275 0.3 . 3 . . . . 204 F H . 17289 1 1519 . 1 1 149 149 PHE HE1 H 1 7.275 0.3 . 3 . . . . 204 F H . 17289 1 1520 . 1 1 149 149 PHE HE2 H 1 7.275 0.3 . 3 . . . . 204 F H . 17289 1 1521 . 1 1 149 149 PHE HZ H 1 7.275 0.3 . 1 . . . . 204 F H . 17289 1 1522 . 1 1 149 149 PHE CA C 13 56.750 0.3 . 1 . . . . 204 F CA . 17289 1 1523 . 1 1 149 149 PHE CB C 13 39.198 0.006 . 1 . . . . 204 F CB . 17289 1 1524 . 1 1 149 149 PHE N N 15 113.425 0.3 . 1 . . . . 204 F N . 17289 1 1525 . 1 1 150 150 GLY H H 1 7.578 0.03 . 1 . . . . 205 G H . 17289 1 1526 . 1 1 150 150 GLY HA2 H 1 3.779 0.001 . 2 . . . . 205 G QA . 17289 1 1527 . 1 1 150 150 GLY HA3 H 1 3.779 0.001 . 2 . . . . 205 G QA . 17289 1 1528 . 1 1 150 150 GLY CA C 13 46.413 0.3 . 1 . . . . 205 G CA . 17289 1 1529 . 1 1 150 150 GLY N N 15 114.753 0.3 . 1 . . . . 205 G N . 17289 1 stop_ save_