data_15851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15851 _Entry.Title ; NMR structure of calcium-loaded STIM1 EF-SAM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-02 _Entry.Accession_date 2008-07-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'EF-hand and SAM domain structural organization for calcium-loaded stromal interaction molecule 1' _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 Peter Stathopulos P. B. . 15851 2 Mitsuhiko Ikura M. . . 15851 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' . 15851 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 15851 EF-SAM . 15851 'endoplasmic reticulum luminal calcium sensor' . 15851 'SAM domain' . 15851 SOCE . 15851 STIM1 . 15851 'store operated calcium entry regulator' . 15851 'stromal interaction molecule' . 15851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 15851 '15N chemical shifts' 125 15851 '1H chemical shifts' 978 15851 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 . . 2009-02-26 2008-07-02 update BMRB 'complete entry citation' 15851 1 . . 2008-10-14 2008-07-02 original author 'original release' 15851 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K60 'BMRB Entry Tracking System' 15851 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15851 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18854159 _Citation.Full_citation . _Citation.Title 'Structural and Mechanistic Insights into STIM1-Mediated Initiation of Store-Operated Calcium Entry' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 135 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 110 _Citation.Page_last 122 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peter Stathopulos P. B. . 15851 1 2 Le Zheng L. . . 15851 1 3 Guang-Yao Li G. . . 15851 1 4 Michael Plevin M. J. . 15851 1 5 Mitsuhiko Ikura M. . . 15851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15851 _Assembly.ID 1 _Assembly.Name 'Stromal interaction molecule 1' _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 1' 1 $Stromal_interaction_molecule_1 A . yes native no no . . . 15851 1 2 'CALCIUM ION' 2 $CA B . yes native no no . . . 15851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Stromal_interaction_molecule_1 _Entity.Sf_category entity _Entity.Sf_framecode Stromal_interaction_molecule_1 _Entity.Entry_ID 15851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name stromal_interaction_molecule_1 _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 ; GSHMASSEDEKLSFEAVRNI HKLMDDDANGDVDVEESDEF LREDLNYHDPTVKHSTFHGE DKLISVEDLWKAWKSSEVYN WTVDEVVQWLITYVELPQYE ETFRKLQLSGHAMPRLAVTN TTMTGTVLKMTDRSHRQKLQ LKALDTVLFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues -5 to 0 are the non-native affinity tag. Residues 1 to 144 represent residues 58 to 201 of STIM1.' _Entity.Polymer_author_seq_details 'The first 6 residues (numbered -5, -4, -3, -2, -1, 0) are remnants of the non-native affinity tag. The remaining residues are situated in the endoplasmic reticulum luminal portion of STIM1 (58 to 201).' _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 man _Entity.Parent_entity_ID . _Entity.Fragment 'EF-hand and SAM domain (calcium sensing EF-SAM region)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17380.514 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K60 . "Nmr Structure Of Calcium-loaded Stim1 Ef-sam" . . . . . 100.00 150 100.00 100.00 5.49e-105 . . . . 15851 1 2 no DBJ BAG54839 . "stromal interaction molecule 1 [Sus scrofa]" . . . . . 74.67 327 100.00 100.00 1.85e-74 . . . . 15851 1 3 no GB AAC51627 . "GOK [Homo sapiens]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 4 no GB AAH21300 . "Stromal interaction molecule 1 [Homo sapiens]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 5 no GB ABM86435 . "stromal interaction molecule 1 [synthetic construct]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 6 no GB ABW03792 . "stromal interaction molecule 1 [synthetic construct]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 7 no GB ADO20317 . "STIM1L [Homo sapiens]" . . . . . 98.00 791 97.96 98.64 5.24e-95 . . . . 15851 1 8 no REF NP_001248464 . "stromal interaction molecule 1 precursor [Macaca mulatta]" . . . . . 98.00 684 97.96 98.64 1.52e-95 . . . . 15851 1 9 no REF NP_001264890 . "stromal interaction molecule 1 isoform 1 precursor [Homo sapiens]" . . . . . 98.00 791 97.96 98.64 5.24e-95 . . . . 15851 1 10 no REF NP_001264891 . "stromal interaction molecule 1 isoform 3 precursor [Homo sapiens]" . . . . . 98.00 540 97.96 98.64 2.11e-96 . . . . 15851 1 11 no REF NP_003147 . "stromal interaction molecule 1 isoform 2 precursor [Homo sapiens]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 12 no REF XP_001160553 . "PREDICTED: stromal interaction molecule 1 isoform X3 [Pan troglodytes]" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 1 13 no SP Q13586 . "RecName: Full=Stromal interaction molecule 1; Flags: Precursor" . . . . . 98.00 685 97.96 98.64 1.36e-95 . . . . 15851 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 . 15851 1 2 -4 SER . 15851 1 3 -3 HIS . 15851 1 4 -2 MET . 15851 1 5 -1 ALA . 15851 1 6 0 SER . 15851 1 7 58 SER . 15851 1 8 59 GLU . 15851 1 9 60 ASP . 15851 1 10 61 GLU . 15851 1 11 62 LYS . 15851 1 12 63 LEU . 15851 1 13 64 SER . 15851 1 14 65 PHE . 15851 1 15 66 GLU . 15851 1 16 67 ALA . 15851 1 17 68 VAL . 15851 1 18 69 ARG . 15851 1 19 70 ASN . 15851 1 20 71 ILE . 15851 1 21 72 HIS . 15851 1 22 73 LYS . 15851 1 23 74 LEU . 15851 1 24 75 MET . 15851 1 25 76 ASP . 15851 1 26 77 ASP . 15851 1 27 78 ASP . 15851 1 28 79 ALA . 15851 1 29 80 ASN . 15851 1 30 81 GLY . 15851 1 31 82 ASP . 15851 1 32 83 VAL . 15851 1 33 84 ASP . 15851 1 34 85 VAL . 15851 1 35 86 GLU . 15851 1 36 87 GLU . 15851 1 37 88 SER . 15851 1 38 89 ASP . 15851 1 39 90 GLU . 15851 1 40 91 PHE . 15851 1 41 92 LEU . 15851 1 42 93 ARG . 15851 1 43 94 GLU . 15851 1 44 95 ASP . 15851 1 45 96 LEU . 15851 1 46 97 ASN . 15851 1 47 98 TYR . 15851 1 48 99 HIS . 15851 1 49 100 ASP . 15851 1 50 101 PRO . 15851 1 51 102 THR . 15851 1 52 103 VAL . 15851 1 53 104 LYS . 15851 1 54 105 HIS . 15851 1 55 106 SER . 15851 1 56 107 THR . 15851 1 57 108 PHE . 15851 1 58 109 HIS . 15851 1 59 110 GLY . 15851 1 60 111 GLU . 15851 1 61 112 ASP . 15851 1 62 113 LYS . 15851 1 63 114 LEU . 15851 1 64 115 ILE . 15851 1 65 116 SER . 15851 1 66 117 VAL . 15851 1 67 118 GLU . 15851 1 68 119 ASP . 15851 1 69 120 LEU . 15851 1 70 121 TRP . 15851 1 71 122 LYS . 15851 1 72 123 ALA . 15851 1 73 124 TRP . 15851 1 74 125 LYS . 15851 1 75 126 SER . 15851 1 76 127 SER . 15851 1 77 128 GLU . 15851 1 78 129 VAL . 15851 1 79 130 TYR . 15851 1 80 131 ASN . 15851 1 81 132 TRP . 15851 1 82 133 THR . 15851 1 83 134 VAL . 15851 1 84 135 ASP . 15851 1 85 136 GLU . 15851 1 86 137 VAL . 15851 1 87 138 VAL . 15851 1 88 139 GLN . 15851 1 89 140 TRP . 15851 1 90 141 LEU . 15851 1 91 142 ILE . 15851 1 92 143 THR . 15851 1 93 144 TYR . 15851 1 94 145 VAL . 15851 1 95 146 GLU . 15851 1 96 147 LEU . 15851 1 97 148 PRO . 15851 1 98 149 GLN . 15851 1 99 150 TYR . 15851 1 100 151 GLU . 15851 1 101 152 GLU . 15851 1 102 153 THR . 15851 1 103 154 PHE . 15851 1 104 155 ARG . 15851 1 105 156 LYS . 15851 1 106 157 LEU . 15851 1 107 158 GLN . 15851 1 108 159 LEU . 15851 1 109 160 SER . 15851 1 110 161 GLY . 15851 1 111 162 HIS . 15851 1 112 163 ALA . 15851 1 113 164 MET . 15851 1 114 165 PRO . 15851 1 115 166 ARG . 15851 1 116 167 LEU . 15851 1 117 168 ALA . 15851 1 118 169 VAL . 15851 1 119 170 THR . 15851 1 120 171 ASN . 15851 1 121 172 THR . 15851 1 122 173 THR . 15851 1 123 174 MET . 15851 1 124 175 THR . 15851 1 125 176 GLY . 15851 1 126 177 THR . 15851 1 127 178 VAL . 15851 1 128 179 LEU . 15851 1 129 180 LYS . 15851 1 130 181 MET . 15851 1 131 182 THR . 15851 1 132 183 ASP . 15851 1 133 184 ARG . 15851 1 134 185 SER . 15851 1 135 186 HIS . 15851 1 136 187 ARG . 15851 1 137 188 GLN . 15851 1 138 189 LYS . 15851 1 139 190 LEU . 15851 1 140 191 GLN . 15851 1 141 192 LEU . 15851 1 142 193 LYS . 15851 1 143 194 ALA . 15851 1 144 195 LEU . 15851 1 145 196 ASP . 15851 1 146 197 THR . 15851 1 147 198 VAL . 15851 1 148 199 LEU . 15851 1 149 200 PHE . 15851 1 150 201 GLY . 15851 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 15851 1 . SER 2 2 15851 1 . HIS 3 3 15851 1 . MET 4 4 15851 1 . ALA 5 5 15851 1 . SER 6 6 15851 1 . SER 7 7 15851 1 . GLU 8 8 15851 1 . ASP 9 9 15851 1 . GLU 10 10 15851 1 . LYS 11 11 15851 1 . LEU 12 12 15851 1 . SER 13 13 15851 1 . PHE 14 14 15851 1 . GLU 15 15 15851 1 . ALA 16 16 15851 1 . VAL 17 17 15851 1 . ARG 18 18 15851 1 . ASN 19 19 15851 1 . ILE 20 20 15851 1 . HIS 21 21 15851 1 . LYS 22 22 15851 1 . LEU 23 23 15851 1 . MET 24 24 15851 1 . ASP 25 25 15851 1 . ASP 26 26 15851 1 . ASP 27 27 15851 1 . ALA 28 28 15851 1 . ASN 29 29 15851 1 . GLY 30 30 15851 1 . ASP 31 31 15851 1 . VAL 32 32 15851 1 . ASP 33 33 15851 1 . VAL 34 34 15851 1 . GLU 35 35 15851 1 . GLU 36 36 15851 1 . SER 37 37 15851 1 . ASP 38 38 15851 1 . GLU 39 39 15851 1 . PHE 40 40 15851 1 . LEU 41 41 15851 1 . ARG 42 42 15851 1 . GLU 43 43 15851 1 . ASP 44 44 15851 1 . LEU 45 45 15851 1 . ASN 46 46 15851 1 . TYR 47 47 15851 1 . HIS 48 48 15851 1 . ASP 49 49 15851 1 . PRO 50 50 15851 1 . THR 51 51 15851 1 . VAL 52 52 15851 1 . LYS 53 53 15851 1 . HIS 54 54 15851 1 . SER 55 55 15851 1 . THR 56 56 15851 1 . PHE 57 57 15851 1 . HIS 58 58 15851 1 . GLY 59 59 15851 1 . GLU 60 60 15851 1 . ASP 61 61 15851 1 . LYS 62 62 15851 1 . LEU 63 63 15851 1 . ILE 64 64 15851 1 . SER 65 65 15851 1 . VAL 66 66 15851 1 . GLU 67 67 15851 1 . ASP 68 68 15851 1 . LEU 69 69 15851 1 . TRP 70 70 15851 1 . LYS 71 71 15851 1 . ALA 72 72 15851 1 . TRP 73 73 15851 1 . LYS 74 74 15851 1 . SER 75 75 15851 1 . SER 76 76 15851 1 . GLU 77 77 15851 1 . VAL 78 78 15851 1 . TYR 79 79 15851 1 . ASN 80 80 15851 1 . TRP 81 81 15851 1 . THR 82 82 15851 1 . VAL 83 83 15851 1 . ASP 84 84 15851 1 . GLU 85 85 15851 1 . VAL 86 86 15851 1 . VAL 87 87 15851 1 . GLN 88 88 15851 1 . TRP 89 89 15851 1 . LEU 90 90 15851 1 . ILE 91 91 15851 1 . THR 92 92 15851 1 . TYR 93 93 15851 1 . VAL 94 94 15851 1 . GLU 95 95 15851 1 . LEU 96 96 15851 1 . PRO 97 97 15851 1 . GLN 98 98 15851 1 . TYR 99 99 15851 1 . GLU 100 100 15851 1 . GLU 101 101 15851 1 . THR 102 102 15851 1 . PHE 103 103 15851 1 . ARG 104 104 15851 1 . LYS 105 105 15851 1 . LEU 106 106 15851 1 . GLN 107 107 15851 1 . LEU 108 108 15851 1 . SER 109 109 15851 1 . GLY 110 110 15851 1 . HIS 111 111 15851 1 . ALA 112 112 15851 1 . MET 113 113 15851 1 . PRO 114 114 15851 1 . ARG 115 115 15851 1 . LEU 116 116 15851 1 . ALA 117 117 15851 1 . VAL 118 118 15851 1 . THR 119 119 15851 1 . ASN 120 120 15851 1 . THR 121 121 15851 1 . THR 122 122 15851 1 . MET 123 123 15851 1 . THR 124 124 15851 1 . GLY 125 125 15851 1 . THR 126 126 15851 1 . VAL 127 127 15851 1 . LEU 128 128 15851 1 . LYS 129 129 15851 1 . MET 130 130 15851 1 . THR 131 131 15851 1 . ASP 132 132 15851 1 . ARG 133 133 15851 1 . SER 134 134 15851 1 . HIS 135 135 15851 1 . ARG 136 136 15851 1 . GLN 137 137 15851 1 . LYS 138 138 15851 1 . LEU 139 139 15851 1 . GLN 140 140 15851 1 . LEU 141 141 15851 1 . LYS 142 142 15851 1 . ALA 143 143 15851 1 . LEU 144 144 15851 1 . ASP 145 145 15851 1 . THR 146 146 15851 1 . VAL 147 147 15851 1 . LEU 148 148 15851 1 . PHE 149 149 15851 1 . GLY 150 150 15851 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15851 _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 . _Entity.Thiol_state . _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 . 15851 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 15851 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . STIM1/GOK . . . . 15851 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 15851 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28a . . . . . . 15851 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 15851 _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 . _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 CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _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 [Ca++] SMILES CACTVS 3.341 15851 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15851 CA [Ca+2] SMILES ACDLabs 10.04 15851 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15851 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15851 CA InChI=1/Ca/q+2 InChI InChI 1.01 15851 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 15851 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15851 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 . . . . no no . . . . . . . . . . . . . . . 15851 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15851 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'stromal interaction molecule 1' '[U-100% 13C; U-100% 15N]' . . 1 $Stromal_interaction_molecule_1 . . 0.5-1.0 . . mM . . . . 15851 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15851 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15851 1 4 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 5 . . mM . . . . 15851 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15851 _Sample.ID 2 _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 'stromal interaction molecule 1' '[U-100% 13C; U-100% 15N]' . . 1 $Stromal_interaction_molecule_1 . . 0.5-1.0 . . mM . . . . 15851 2 2 TRIS '[U-99% 2H]' . . . . . . 20 . . mM . . . . 15851 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15851 2 4 'CALCIUM ION' 'natural abundance' . . 2 $CA . . 5 . . mM . . . . 15851 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 15851 _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 15851 1 pH 8.0 . pH 15851 1 pressure 1 . atm 15851 1 temperature 293 . K 15851 1 stop_ save_ save_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_2 _Sample_condition_list.Entry_ID 15851 _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 15851 2 pD 8.0 . pH 15851 2 pressure 1 . atm 15851 2 temperature 293 . K 15851 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15851 _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 A. T. et.al.' . . 15851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15851 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15851 _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' . . 15851 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15851 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15851 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15851 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15851 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15851 _Software.ID 4 _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' . . 15851 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15851 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 15851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15851 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15851 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15851 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15851 _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 . 500 . . . 15851 1 2 spectrometer_2 Varian INOVA . 600 . . . 15851 1 3 spectrometer_3 Bruker Avance . 800 . . . 15851 1 4 spectrometer_4 Bruker Avance . 900 . . . 15851 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 15851 _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_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15851 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15851 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15851 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 15851 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15851 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15851 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15851 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 15851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 15851 1 2 '3D CBCA(CO)NH' . . . 15851 1 3 '3D HNCACB' . . . 15851 1 5 '3D H(CCO)NH' . . . 15851 1 6 '3D C(CO)NH' . . . 15851 1 7 '3D 1H-15N NOESY' . . . 15851 1 8 '3D HCCH-TOCSY' . . . 15851 1 9 '2D 1H-13C HSQC' . . . 15851 1 10 '3D 1H-13C NOESY' . . . 15851 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 15851 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.990 0.04 . 2 . . . . -5 GLY HA2 . 15851 1 2 . 1 1 1 1 GLY HA3 H 1 3.922 0.04 . 2 . . . . -5 GLY HA3 . 15851 1 3 . 1 1 1 1 GLY CA C 13 45.188 0.4 . 1 . . . . -5 GLY CA . 15851 1 4 . 1 1 2 2 SER HA H 1 4.495 0.04 . 1 . . . . -4 SER HA . 15851 1 5 . 1 1 2 2 SER HB2 H 1 3.828 0.04 . 2 . . . . -4 SER QB . 15851 1 6 . 1 1 2 2 SER HB3 H 1 3.828 0.04 . 2 . . . . -4 SER QB . 15851 1 7 . 1 1 2 2 SER CA C 13 58.073 0.4 . 1 . . . . -4 SER CA . 15851 1 8 . 1 1 2 2 SER CB C 13 63.683 0.4 . 1 . . . . -4 SER CB . 15851 1 9 . 1 1 3 3 HIS HA H 1 4.645 0.04 . 1 . . . . -3 HIS HA . 15851 1 10 . 1 1 3 3 HIS HB2 H 1 3.092 0.04 . 2 . . . . -3 HIS HB2 . 15851 1 11 . 1 1 3 3 HIS HB3 H 1 3.084 0.04 . 2 . . . . -3 HIS HB3 . 15851 1 12 . 1 1 3 3 HIS HD2 H 1 7.110 0.04 . 1 . . . . -3 HIS HD2 . 15851 1 13 . 1 1 3 3 HIS CA C 13 56.302 0.4 . 1 . . . . -3 HIS CA . 15851 1 14 . 1 1 3 3 HIS CB C 13 30.788 0.4 . 1 . . . . -3 HIS CB . 15851 1 15 . 1 1 4 4 MET H H 1 8.360 0.04 . 1 . . . . -2 MET H . 15851 1 16 . 1 1 4 4 MET HA H 1 4.414 0.04 . 1 . . . . -2 MET HA . 15851 1 17 . 1 1 4 4 MET HB2 H 1 2.008 0.04 . 2 . . . . -2 MET HB2 . 15851 1 18 . 1 1 4 4 MET HB3 H 1 1.919 0.04 . 2 . . . . -2 MET HB3 . 15851 1 19 . 1 1 4 4 MET HE1 H 1 2.081 0.04 . 1 . . . . -2 MET QE . 15851 1 20 . 1 1 4 4 MET HE2 H 1 2.081 0.04 . 1 . . . . -2 MET QE . 15851 1 21 . 1 1 4 4 MET HE3 H 1 2.081 0.04 . 1 . . . . -2 MET QE . 15851 1 22 . 1 1 4 4 MET HG2 H 1 2.478 0.04 . 2 . . . . -2 MET HG2 . 15851 1 23 . 1 1 4 4 MET HG3 H 1 2.419 0.04 . 2 . . . . -2 MET HG3 . 15851 1 24 . 1 1 4 4 MET CA C 13 55.082 0.4 . 1 . . . . -2 MET CA . 15851 1 25 . 1 1 4 4 MET CB C 13 33.031 0.4 . 1 . . . . -2 MET CB . 15851 1 26 . 1 1 4 4 MET CE C 13 16.863 0.4 . 1 . . . . -2 MET CE . 15851 1 27 . 1 1 4 4 MET CG C 13 31.737 0.4 . 1 . . . . -2 MET CG . 15851 1 28 . 1 1 4 4 MET N N 15 120.500 0.4 . 1 . . . . -2 MET N . 15851 1 29 . 1 1 5 5 ALA H H 1 8.402 0.04 . 1 . . . . -1 ALA H . 15851 1 30 . 1 1 5 5 ALA HA H 1 4.329 0.04 . 1 . . . . -1 ALA HA . 15851 1 31 . 1 1 5 5 ALA HB1 H 1 1.297 0.04 . 1 . . . . -1 ALA QB . 15851 1 32 . 1 1 5 5 ALA HB2 H 1 1.297 0.04 . 1 . . . . -1 ALA QB . 15851 1 33 . 1 1 5 5 ALA HB3 H 1 1.297 0.04 . 1 . . . . -1 ALA QB . 15851 1 34 . 1 1 5 5 ALA C C 13 177.290 0.4 . 1 . . . . -1 ALA C . 15851 1 35 . 1 1 5 5 ALA CA C 13 52.257 0.4 . 1 . . . . -1 ALA CA . 15851 1 36 . 1 1 5 5 ALA CB C 13 19.116 0.4 . 1 . . . . -1 ALA CB . 15851 1 37 . 1 1 5 5 ALA N N 15 125.695 0.4 . 1 . . . . -1 ALA N . 15851 1 38 . 1 1 6 6 SER H H 1 8.654 0.04 . 1 . . . . 0 SER H . 15851 1 39 . 1 1 6 6 SER HA H 1 4.528 0.04 . 1 . . . . 0 SER HA . 15851 1 40 . 1 1 6 6 SER HB2 H 1 4.053 0.04 . 2 . . . . 0 SER HB2 . 15851 1 41 . 1 1 6 6 SER HB3 H 1 3.940 0.04 . 2 . . . . 0 SER HB3 . 15851 1 42 . 1 1 6 6 SER CA C 13 58.012 0.4 . 1 . . . . 0 SER CA . 15851 1 43 . 1 1 6 6 SER CB C 13 64.010 0.4 . 1 . . . . 0 SER CB . 15851 1 44 . 1 1 6 6 SER N N 15 116.508 0.4 . 1 . . . . 0 SER N . 15851 1 45 . 1 1 7 7 SER HA H 1 4.513 0.04 . 1 . . . . 1 SER HA . 15851 1 46 . 1 1 7 7 SER HB2 H 1 4.076 0.04 . 2 . . . . 1 SER HB2 . 15851 1 47 . 1 1 7 7 SER HB3 H 1 3.937 0.04 . 2 . . . . 1 SER HB3 . 15851 1 48 . 1 1 7 7 SER CA C 13 58.018 0.4 . 1 . . . . 1 SER CA . 15851 1 49 . 1 1 7 7 SER CB C 13 64.057 0.4 . 1 . . . . 1 SER CB . 15851 1 50 . 1 1 11 11 LYS HA H 1 4.271 0.04 . 1 . . . . 5 LYS HA . 15851 1 51 . 1 1 11 11 LYS HB2 H 1 1.812 0.04 . 2 . . . . 5 LYS HB2 . 15851 1 52 . 1 1 11 11 LYS HB3 H 1 1.731 0.04 . 2 . . . . 5 LYS HB3 . 15851 1 53 . 1 1 11 11 LYS HD2 H 1 1.667 0.04 . 2 . . . . 5 LYS QD . 15851 1 54 . 1 1 11 11 LYS HD3 H 1 1.667 0.04 . 2 . . . . 5 LYS QD . 15851 1 55 . 1 1 11 11 LYS HE2 H 1 2.953 0.04 . 2 . . . . 5 LYS QE . 15851 1 56 . 1 1 11 11 LYS HE3 H 1 2.953 0.04 . 2 . . . . 5 LYS QE . 15851 1 57 . 1 1 11 11 LYS HG2 H 1 1.354 0.04 . 2 . . . . 5 LYS HG2 . 15851 1 58 . 1 1 11 11 LYS HG3 H 1 1.341 0.04 . 2 . . . . 5 LYS HG3 . 15851 1 59 . 1 1 11 11 LYS C C 13 179.099 0.4 . 1 . . . . 5 LYS C . 15851 1 60 . 1 1 11 11 LYS CA C 13 56.242 0.4 . 1 . . . . 5 LYS CA . 15851 1 61 . 1 1 11 11 LYS CB C 13 32.984 0.4 . 1 . . . . 5 LYS CB . 15851 1 62 . 1 1 11 11 LYS CD C 13 29.318 0.4 . 1 . . . . 5 LYS CD . 15851 1 63 . 1 1 11 11 LYS CE C 13 41.806 0.4 . 1 . . . . 5 LYS CE . 15851 1 64 . 1 1 11 11 LYS CG C 13 24.891 0.4 . 1 . . . . 5 LYS CG . 15851 1 65 . 1 1 12 12 LEU H H 1 8.322 0.04 . 1 . . . . 6 LEU H . 15851 1 66 . 1 1 12 12 LEU HA H 1 4.332 0.04 . 1 . . . . 6 LEU HA . 15851 1 67 . 1 1 12 12 LEU HB2 H 1 1.625 0.04 . 2 . . . . 6 LEU HB2 . 15851 1 68 . 1 1 12 12 LEU HB3 H 1 1.513 0.04 . 2 . . . . 6 LEU HB3 . 15851 1 69 . 1 1 12 12 LEU HD11 H 1 0.913 0.04 . 2 . . . . 6 LEU QD1 . 15851 1 70 . 1 1 12 12 LEU HD12 H 1 0.913 0.04 . 2 . . . . 6 LEU QD1 . 15851 1 71 . 1 1 12 12 LEU HD13 H 1 0.913 0.04 . 2 . . . . 6 LEU QD1 . 15851 1 72 . 1 1 12 12 LEU HD21 H 1 0.865 0.04 . 2 . . . . 6 LEU QD2 . 15851 1 73 . 1 1 12 12 LEU HD22 H 1 0.865 0.04 . 2 . . . . 6 LEU QD2 . 15851 1 74 . 1 1 12 12 LEU HD23 H 1 0.865 0.04 . 2 . . . . 6 LEU QD2 . 15851 1 75 . 1 1 12 12 LEU HG H 1 1.634 0.04 . 1 . . . . 6 LEU HG . 15851 1 76 . 1 1 12 12 LEU C C 13 176.590 0.4 . 1 . . . . 6 LEU C . 15851 1 77 . 1 1 12 12 LEU CA C 13 55.057 0.4 . 1 . . . . 6 LEU CA . 15851 1 78 . 1 1 12 12 LEU CB C 13 42.169 0.4 . 1 . . . . 6 LEU CB . 15851 1 79 . 1 1 12 12 LEU CD1 C 13 24.968 0.4 . 2 . . . . 6 LEU CD1 . 15851 1 80 . 1 1 12 12 LEU CD2 C 13 23.416 0.4 . 2 . . . . 6 LEU CD2 . 15851 1 81 . 1 1 12 12 LEU CG C 13 26.961 0.4 . 1 . . . . 6 LEU CG . 15851 1 82 . 1 1 12 12 LEU N N 15 123.563 0.4 . 1 . . . . 6 LEU N . 15851 1 83 . 1 1 13 13 SER H H 1 8.136 0.04 . 1 . . . . 7 SER H . 15851 1 84 . 1 1 13 13 SER HA H 1 4.471 0.04 . 1 . . . . 7 SER HA . 15851 1 85 . 1 1 13 13 SER HB2 H 1 4.034 0.04 . 2 . . . . 7 SER HB2 . 15851 1 86 . 1 1 13 13 SER HB3 H 1 3.942 0.04 . 2 . . . . 7 SER HB3 . 15851 1 87 . 1 1 13 13 SER C C 13 175.268 0.4 . 1 . . . . 7 SER C . 15851 1 88 . 1 1 13 13 SER CA C 13 58.018 0.4 . 1 . . . . 7 SER CA . 15851 1 89 . 1 1 13 13 SER CB C 13 63.263 0.4 . 1 . . . . 7 SER CB . 15851 1 90 . 1 1 13 13 SER N N 15 116.180 0.4 . 1 . . . . 7 SER N . 15851 1 91 . 1 1 14 14 PHE H H 1 8.632 0.04 . 1 . . . . 8 PHE H . 15851 1 92 . 1 1 14 14 PHE HA H 1 3.564 0.04 . 1 . . . . 8 PHE HA . 15851 1 93 . 1 1 14 14 PHE HB2 H 1 2.686 0.04 . 2 . . . . 8 PHE HB2 . 15851 1 94 . 1 1 14 14 PHE HB3 H 1 1.928 0.04 . 2 . . . . 8 PHE HB3 . 15851 1 95 . 1 1 14 14 PHE HD1 H 1 6.041 0.04 . 3 . . . . 8 PHE QD . 15851 1 96 . 1 1 14 14 PHE HD2 H 1 6.041 0.04 . 3 . . . . 8 PHE QD . 15851 1 97 . 1 1 14 14 PHE HE1 H 1 6.767 0.04 . 3 . . . . 8 PHE QE . 15851 1 98 . 1 1 14 14 PHE HE2 H 1 6.767 0.04 . 3 . . . . 8 PHE QE . 15851 1 99 . 1 1 14 14 PHE C C 13 176.849 0.4 . 1 . . . . 8 PHE C . 15851 1 100 . 1 1 14 14 PHE CA C 13 61.414 0.4 . 1 . . . . 8 PHE CA . 15851 1 101 . 1 1 14 14 PHE CB C 13 37.980 0.4 . 1 . . . . 8 PHE CB . 15851 1 102 . 1 1 14 14 PHE N N 15 124.055 0.4 . 1 . . . . 8 PHE N . 15851 1 103 . 1 1 15 15 GLU H H 1 8.095 0.04 . 1 . . . . 9 GLU H . 15851 1 104 . 1 1 15 15 GLU HA H 1 3.698 0.04 . 1 . . . . 9 GLU HA . 15851 1 105 . 1 1 15 15 GLU HB2 H 1 2.028 0.04 . 2 . . . . 9 GLU HB2 . 15851 1 106 . 1 1 15 15 GLU HB3 H 1 1.994 0.04 . 2 . . . . 9 GLU HB3 . 15851 1 107 . 1 1 15 15 GLU HG2 H 1 2.343 0.04 . 2 . . . . 9 GLU HG2 . 15851 1 108 . 1 1 15 15 GLU HG3 H 1 2.372 0.04 . 2 . . . . 9 GLU HG3 . 15851 1 109 . 1 1 15 15 GLU C C 13 178.582 0.4 . 1 . . . . 9 GLU C . 15851 1 110 . 1 1 15 15 GLU CA C 13 58.585 0.4 . 1 . . . . 9 GLU CA . 15851 1 111 . 1 1 15 15 GLU CB C 13 28.761 0.4 . 1 . . . . 9 GLU CB . 15851 1 112 . 1 1 15 15 GLU CG C 13 35.937 0.4 . 1 . . . . 9 GLU CG . 15851 1 113 . 1 1 15 15 GLU N N 15 117.930 0.4 . 1 . . . . 9 GLU N . 15851 1 114 . 1 1 16 16 ALA H H 1 7.502 0.04 . 1 . . . . 10 ALA H . 15851 1 115 . 1 1 16 16 ALA HA H 1 4.167 0.04 . 1 . . . . 10 ALA HA . 15851 1 116 . 1 1 16 16 ALA HB1 H 1 1.402 0.04 . 1 . . . . 10 ALA QB . 15851 1 117 . 1 1 16 16 ALA HB2 H 1 1.402 0.04 . 1 . . . . 10 ALA QB . 15851 1 118 . 1 1 16 16 ALA HB3 H 1 1.402 0.04 . 1 . . . . 10 ALA QB . 15851 1 119 . 1 1 16 16 ALA C C 13 178.886 0.4 . 1 . . . . 10 ALA C . 15851 1 120 . 1 1 16 16 ALA CA C 13 55.287 0.4 . 1 . . . . 10 ALA CA . 15851 1 121 . 1 1 16 16 ALA CB C 13 17.934 0.4 . 1 . . . . 10 ALA CB . 15851 1 122 . 1 1 16 16 ALA N N 15 121.703 0.4 . 1 . . . . 10 ALA N . 15851 1 123 . 1 1 17 17 VAL H H 1 8.105 0.04 . 1 . . . . 11 VAL H . 15851 1 124 . 1 1 17 17 VAL HA H 1 3.375 0.04 . 1 . . . . 11 VAL HA . 15851 1 125 . 1 1 17 17 VAL HB H 1 2.203 0.04 . 1 . . . . 11 VAL HB . 15851 1 126 . 1 1 17 17 VAL HG11 H 1 0.932 0.04 . 2 . . . . 11 VAL QG1 . 15851 1 127 . 1 1 17 17 VAL HG12 H 1 0.932 0.04 . 2 . . . . 11 VAL QG1 . 15851 1 128 . 1 1 17 17 VAL HG13 H 1 0.932 0.04 . 2 . . . . 11 VAL QG1 . 15851 1 129 . 1 1 17 17 VAL HG21 H 1 0.905 0.04 . 2 . . . . 11 VAL QG2 . 15851 1 130 . 1 1 17 17 VAL HG22 H 1 0.905 0.04 . 2 . . . . 11 VAL QG2 . 15851 1 131 . 1 1 17 17 VAL HG23 H 1 0.905 0.04 . 2 . . . . 11 VAL QG2 . 15851 1 132 . 1 1 17 17 VAL C C 13 177.305 0.4 . 1 . . . . 11 VAL C . 15851 1 133 . 1 1 17 17 VAL CA C 13 67.619 0.4 . 1 . . . . 11 VAL CA . 15851 1 134 . 1 1 17 17 VAL CB C 13 30.700 0.4 . 1 . . . . 11 VAL CB . 15851 1 135 . 1 1 17 17 VAL CG1 C 13 24.165 0.4 . 2 . . . . 11 VAL CG1 . 15851 1 136 . 1 1 17 17 VAL CG2 C 13 21.181 0.4 . 2 . . . . 11 VAL CG2 . 15851 1 137 . 1 1 17 17 VAL N N 15 119.625 0.4 . 1 . . . . 11 VAL N . 15851 1 138 . 1 1 18 18 ARG H H 1 8.491 0.04 . 1 . . . . 12 ARG H . 15851 1 139 . 1 1 18 18 ARG HA H 1 3.681 0.04 . 1 . . . . 12 ARG HA . 15851 1 140 . 1 1 18 18 ARG HB2 H 1 1.745 0.04 . 2 . . . . 12 ARG HB2 . 15851 1 141 . 1 1 18 18 ARG HB3 H 1 1.302 0.04 . 2 . . . . 12 ARG HB3 . 15851 1 142 . 1 1 18 18 ARG HD2 H 1 3.011 0.04 . 2 . . . . 12 ARG HD2 . 15851 1 143 . 1 1 18 18 ARG HD3 H 1 3.093 0.04 . 2 . . . . 12 ARG HD3 . 15851 1 144 . 1 1 18 18 ARG HG2 H 1 1.296 0.04 . 2 . . . . 12 ARG HG2 . 15851 1 145 . 1 1 18 18 ARG HG3 H 1 1.396 0.04 . 2 . . . . 12 ARG HG3 . 15851 1 146 . 1 1 18 18 ARG C C 13 178.187 0.4 . 1 . . . . 12 ARG C . 15851 1 147 . 1 1 18 18 ARG CA C 13 59.882 0.4 . 1 . . . . 12 ARG CA . 15851 1 148 . 1 1 18 18 ARG CB C 13 29.364 0.4 . 1 . . . . 12 ARG CB . 15851 1 149 . 1 1 18 18 ARG CD C 13 43.543 0.4 . 1 . . . . 12 ARG CD . 15851 1 150 . 1 1 18 18 ARG CG C 13 26.889 0.4 . 1 . . . . 12 ARG CG . 15851 1 151 . 1 1 18 18 ARG N N 15 120.719 0.4 . 1 . . . . 12 ARG N . 15851 1 152 . 1 1 19 19 ASN H H 1 7.904 0.04 . 1 . . . . 13 ASN H . 15851 1 153 . 1 1 19 19 ASN HA H 1 4.461 0.04 . 1 . . . . 13 ASN HA . 15851 1 154 . 1 1 19 19 ASN HB2 H 1 2.998 0.04 . 2 . . . . 13 ASN HB2 . 15851 1 155 . 1 1 19 19 ASN HB3 H 1 2.775 0.04 . 2 . . . . 13 ASN HB3 . 15851 1 156 . 1 1 19 19 ASN C C 13 178.004 0.4 . 1 . . . . 13 ASN C . 15851 1 157 . 1 1 19 19 ASN CA C 13 56.129 0.4 . 1 . . . . 13 ASN CA . 15851 1 158 . 1 1 19 19 ASN CB C 13 38.435 0.4 . 1 . . . . 13 ASN CB . 15851 1 159 . 1 1 19 19 ASN N N 15 118.805 0.4 . 1 . . . . 13 ASN N . 15851 1 160 . 1 1 20 20 ILE H H 1 8.470 0.04 . 1 . . . . 14 ILE H . 15851 1 161 . 1 1 20 20 ILE HA H 1 3.466 0.04 . 1 . . . . 14 ILE HA . 15851 1 162 . 1 1 20 20 ILE HB H 1 1.899 0.04 . 1 . . . . 14 ILE HB . 15851 1 163 . 1 1 20 20 ILE HD11 H 1 0.660 0.04 . 1 . . . . 14 ILE QD1 . 15851 1 164 . 1 1 20 20 ILE HD12 H 1 0.660 0.04 . 1 . . . . 14 ILE QD1 . 15851 1 165 . 1 1 20 20 ILE HD13 H 1 0.660 0.04 . 1 . . . . 14 ILE QD1 . 15851 1 166 . 1 1 20 20 ILE HG12 H 1 1.872 0.04 . 2 . . . . 14 ILE HG12 . 15851 1 167 . 1 1 20 20 ILE HG13 H 1 0.696 0.04 . 2 . . . . 14 ILE HG13 . 15851 1 168 . 1 1 20 20 ILE HG21 H 1 0.704 0.04 . 1 . . . . 14 ILE QG2 . 15851 1 169 . 1 1 20 20 ILE HG22 H 1 0.704 0.04 . 1 . . . . 14 ILE QG2 . 15851 1 170 . 1 1 20 20 ILE HG23 H 1 0.704 0.04 . 1 . . . . 14 ILE QG2 . 15851 1 171 . 1 1 20 20 ILE C C 13 176.727 0.4 . 1 . . . . 14 ILE C . 15851 1 172 . 1 1 20 20 ILE CA C 13 65.824 0.4 . 1 . . . . 14 ILE CA . 15851 1 173 . 1 1 20 20 ILE CB C 13 38.130 0.4 . 1 . . . . 14 ILE CB . 15851 1 174 . 1 1 20 20 ILE CD1 C 13 13.941 0.4 . 1 . . . . 14 ILE CD1 . 15851 1 175 . 1 1 20 20 ILE CG1 C 13 28.312 0.4 . 1 . . . . 14 ILE CG1 . 15851 1 176 . 1 1 20 20 ILE CG2 C 13 17.905 0.4 . 1 . . . . 14 ILE CG2 . 15851 1 177 . 1 1 20 20 ILE N N 15 124.246 0.4 . 1 . . . . 14 ILE N . 15851 1 178 . 1 1 21 21 HIS H H 1 8.315 0.04 . 1 . . . . 15 HIS H . 15851 1 179 . 1 1 21 21 HIS HA H 1 3.439 0.04 . 1 . . . . 15 HIS HA . 15851 1 180 . 1 1 21 21 HIS HB2 H 1 3.333 0.04 . 2 . . . . 15 HIS HB2 . 15851 1 181 . 1 1 21 21 HIS HB3 H 1 2.889 0.04 . 2 . . . . 15 HIS HB3 . 15851 1 182 . 1 1 21 21 HIS HD2 H 1 6.440 0.04 . 1 . . . . 15 HIS HD2 . 15851 1 183 . 1 1 21 21 HIS C C 13 177.290 0.4 . 1 . . . . 15 HIS C . 15851 1 184 . 1 1 21 21 HIS CA C 13 62.247 0.4 . 1 . . . . 15 HIS CA . 15851 1 185 . 1 1 21 21 HIS CB C 13 31.611 0.4 . 1 . . . . 15 HIS CB . 15851 1 186 . 1 1 21 21 HIS N N 15 120.008 0.4 . 1 . . . . 15 HIS N . 15851 1 187 . 1 1 22 22 LYS H H 1 8.065 0.04 . 1 . . . . 16 LYS H . 15851 1 188 . 1 1 22 22 LYS HA H 1 4.035 0.04 . 1 . . . . 16 LYS HA . 15851 1 189 . 1 1 22 22 LYS HB2 H 1 1.906 0.04 . 2 . . . . 16 LYS HB2 . 15851 1 190 . 1 1 22 22 LYS HB3 H 1 2.007 0.04 . 2 . . . . 16 LYS HB3 . 15851 1 191 . 1 1 22 22 LYS HD2 H 1 2.172 0.04 . 2 . . . . 16 LYS HD2 . 15851 1 192 . 1 1 22 22 LYS HD3 H 1 1.516 0.04 . 2 . . . . 16 LYS HD3 . 15851 1 193 . 1 1 22 22 LYS HE2 H 1 3.007 0.04 . 2 . . . . 16 LYS HE2 . 15851 1 194 . 1 1 22 22 LYS HE3 H 1 2.751 0.04 . 2 . . . . 16 LYS HE3 . 15851 1 195 . 1 1 22 22 LYS HG2 H 1 1.714 0.04 . 2 . . . . 16 LYS HG2 . 15851 1 196 . 1 1 22 22 LYS HG3 H 1 1.296 0.04 . 2 . . . . 16 LYS HG3 . 15851 1 197 . 1 1 22 22 LYS C C 13 178.932 0.4 . 1 . . . . 16 LYS C . 15851 1 198 . 1 1 22 22 LYS CA C 13 59.293 0.4 . 1 . . . . 16 LYS CA . 15851 1 199 . 1 1 22 22 LYS CB C 13 32.849 0.4 . 1 . . . . 16 LYS CB . 15851 1 200 . 1 1 22 22 LYS CD C 13 29.464 0.4 . 1 . . . . 16 LYS CD . 15851 1 201 . 1 1 22 22 LYS CE C 13 41.936 0.4 . 1 . . . . 16 LYS CE . 15851 1 202 . 1 1 22 22 LYS CG C 13 25.098 0.4 . 1 . . . . 16 LYS CG . 15851 1 203 . 1 1 22 22 LYS N N 15 116.289 0.4 . 1 . . . . 16 LYS N . 15851 1 204 . 1 1 23 23 LEU H H 1 7.496 0.04 . 1 . . . . 17 LEU H . 15851 1 205 . 1 1 23 23 LEU HA H 1 4.084 0.04 . 1 . . . . 17 LEU HA . 15851 1 206 . 1 1 23 23 LEU HB2 H 1 1.960 0.04 . 2 . . . . 17 LEU HB2 . 15851 1 207 . 1 1 23 23 LEU HB3 H 1 1.800 0.04 . 2 . . . . 17 LEU HB3 . 15851 1 208 . 1 1 23 23 LEU HD11 H 1 1.043 0.04 . 2 . . . . 17 LEU QD1 . 15851 1 209 . 1 1 23 23 LEU HD12 H 1 1.043 0.04 . 2 . . . . 17 LEU QD1 . 15851 1 210 . 1 1 23 23 LEU HD13 H 1 1.043 0.04 . 2 . . . . 17 LEU QD1 . 15851 1 211 . 1 1 23 23 LEU HD21 H 1 0.993 0.04 . 2 . . . . 17 LEU QD2 . 15851 1 212 . 1 1 23 23 LEU HD22 H 1 0.993 0.04 . 2 . . . . 17 LEU QD2 . 15851 1 213 . 1 1 23 23 LEU HD23 H 1 0.993 0.04 . 2 . . . . 17 LEU QD2 . 15851 1 214 . 1 1 23 23 LEU HG H 1 1.970 0.04 . 1 . . . . 17 LEU HG . 15851 1 215 . 1 1 23 23 LEU C C 13 178.324 0.4 . 1 . . . . 17 LEU C . 15851 1 216 . 1 1 23 23 LEU CA C 13 57.203 0.4 . 1 . . . . 17 LEU CA . 15851 1 217 . 1 1 23 23 LEU CB C 13 42.032 0.4 . 1 . . . . 17 LEU CB . 15851 1 218 . 1 1 23 23 LEU CD1 C 13 24.855 0.4 . 2 . . . . 17 LEU CD1 . 15851 1 219 . 1 1 23 23 LEU CD2 C 13 23.607 0.4 . 2 . . . . 17 LEU CD2 . 15851 1 220 . 1 1 23 23 LEU CG C 13 26.366 0.4 . 1 . . . . 17 LEU CG . 15851 1 221 . 1 1 23 23 LEU N N 15 118.039 0.4 . 1 . . . . 17 LEU N . 15851 1 222 . 1 1 24 24 MET H H 1 7.060 0.04 . 1 . . . . 18 MET H . 15851 1 223 . 1 1 24 24 MET HA H 1 3.798 0.04 . 1 . . . . 18 MET HA . 15851 1 224 . 1 1 24 24 MET HB2 H 1 1.430 0.04 . 2 . . . . 18 MET HB2 . 15851 1 225 . 1 1 24 24 MET HB3 H 1 1.722 0.04 . 2 . . . . 18 MET HB3 . 15851 1 226 . 1 1 24 24 MET HE1 H 1 1.304 0.04 . 1 . . . . 18 MET QE . 15851 1 227 . 1 1 24 24 MET HE2 H 1 1.304 0.04 . 1 . . . . 18 MET QE . 15851 1 228 . 1 1 24 24 MET HE3 H 1 1.304 0.04 . 1 . . . . 18 MET QE . 15851 1 229 . 1 1 24 24 MET HG2 H 1 1.952 0.04 . 2 . . . . 18 MET HG2 . 15851 1 230 . 1 1 24 24 MET HG3 H 1 0.317 0.04 . 2 . . . . 18 MET HG3 . 15851 1 231 . 1 1 24 24 MET C C 13 177.472 0.4 . 1 . . . . 18 MET C . 15851 1 232 . 1 1 24 24 MET CA C 13 57.468 0.4 . 1 . . . . 18 MET CA . 15851 1 233 . 1 1 24 24 MET CB C 13 36.316 0.4 . 1 . . . . 18 MET CB . 15851 1 234 . 1 1 24 24 MET CE C 13 16.015 0.4 . 1 . . . . 18 MET CE . 15851 1 235 . 1 1 24 24 MET CG C 13 30.270 0.4 . 1 . . . . 18 MET CG . 15851 1 236 . 1 1 24 24 MET N N 15 114.649 0.4 . 1 . . . . 18 MET N . 15851 1 237 . 1 1 25 25 ASP H H 1 7.655 0.04 . 1 . . . . 19 ASP H . 15851 1 238 . 1 1 25 25 ASP HA H 1 4.385 0.04 . 1 . . . . 19 ASP HA . 15851 1 239 . 1 1 25 25 ASP HB2 H 1 2.753 0.04 . 2 . . . . 19 ASP HB2 . 15851 1 240 . 1 1 25 25 ASP HB3 H 1 1.893 0.04 . 2 . . . . 19 ASP HB3 . 15851 1 241 . 1 1 25 25 ASP C C 13 176.697 0.4 . 1 . . . . 19 ASP C . 15851 1 242 . 1 1 25 25 ASP CA C 13 52.362 0.4 . 1 . . . . 19 ASP CA . 15851 1 243 . 1 1 25 25 ASP CB C 13 39.108 0.4 . 1 . . . . 19 ASP CB . 15851 1 244 . 1 1 25 25 ASP N N 15 117.109 0.4 . 1 . . . . 19 ASP N . 15851 1 245 . 1 1 26 26 ASP H H 1 7.688 0.04 . 1 . . . . 20 ASP H . 15851 1 246 . 1 1 26 26 ASP HA H 1 4.336 0.04 . 1 . . . . 20 ASP HA . 15851 1 247 . 1 1 26 26 ASP HB2 H 1 2.925 0.04 . 2 . . . . 20 ASP HB2 . 15851 1 248 . 1 1 26 26 ASP HB3 H 1 2.791 0.04 . 2 . . . . 20 ASP HB3 . 15851 1 249 . 1 1 26 26 ASP C C 13 177.244 0.4 . 1 . . . . 20 ASP C . 15851 1 250 . 1 1 26 26 ASP CA C 13 57.204 0.4 . 1 . . . . 20 ASP CA . 15851 1 251 . 1 1 26 26 ASP CB C 13 40.759 0.4 . 1 . . . . 20 ASP CB . 15851 1 252 . 1 1 26 26 ASP N N 15 127.938 0.4 . 1 . . . . 20 ASP N . 15851 1 253 . 1 1 27 27 ASP H H 1 7.918 0.04 . 1 . . . . 21 ASP H . 15851 1 254 . 1 1 27 27 ASP HA H 1 4.565 0.04 . 1 . . . . 21 ASP HA . 15851 1 255 . 1 1 27 27 ASP HB2 H 1 3.138 0.04 . 2 . . . . 21 ASP HB2 . 15851 1 256 . 1 1 27 27 ASP HB3 H 1 2.662 0.04 . 2 . . . . 21 ASP HB3 . 15851 1 257 . 1 1 27 27 ASP C C 13 178.871 0.4 . 1 . . . . 21 ASP C . 15851 1 258 . 1 1 27 27 ASP CA C 13 53.067 0.4 . 1 . . . . 21 ASP CA . 15851 1 259 . 1 1 27 27 ASP CB C 13 39.080 0.4 . 1 . . . . 21 ASP CB . 15851 1 260 . 1 1 27 27 ASP N N 15 114.266 0.4 . 1 . . . . 21 ASP N . 15851 1 261 . 1 1 28 28 ALA H H 1 8.066 0.04 . 1 . . . . 22 ALA H . 15851 1 262 . 1 1 28 28 ALA HA H 1 4.045 0.04 . 1 . . . . 22 ALA HA . 15851 1 263 . 1 1 28 28 ALA HB1 H 1 1.442 0.04 . 1 . . . . 22 ALA QB . 15851 1 264 . 1 1 28 28 ALA HB2 H 1 1.442 0.04 . 1 . . . . 22 ALA QB . 15851 1 265 . 1 1 28 28 ALA HB3 H 1 1.442 0.04 . 1 . . . . 22 ALA QB . 15851 1 266 . 1 1 28 28 ALA C C 13 176.560 0.4 . 1 . . . . 22 ALA C . 15851 1 267 . 1 1 28 28 ALA CA C 13 52.902 0.4 . 1 . . . . 22 ALA CA . 15851 1 268 . 1 1 28 28 ALA CB C 13 16.937 0.4 . 1 . . . . 22 ALA CB . 15851 1 269 . 1 1 28 28 ALA N N 15 119.516 0.4 . 1 . . . . 22 ALA N . 15851 1 270 . 1 1 29 29 ASN H H 1 8.183 0.04 . 1 . . . . 23 ASN H . 15851 1 271 . 1 1 29 29 ASN HA H 1 4.735 0.04 . 1 . . . . 23 ASN HA . 15851 1 272 . 1 1 29 29 ASN HB2 H 1 3.397 0.04 . 2 . . . . 23 ASN HB2 . 15851 1 273 . 1 1 29 29 ASN HB3 H 1 2.643 0.04 . 2 . . . . 23 ASN HB3 . 15851 1 274 . 1 1 29 29 ASN C C 13 176.910 0.4 . 1 . . . . 23 ASN C . 15851 1 275 . 1 1 29 29 ASN CA C 13 52.331 0.4 . 1 . . . . 23 ASN CA . 15851 1 276 . 1 1 29 29 ASN CB C 13 37.662 0.4 . 1 . . . . 23 ASN CB . 15851 1 277 . 1 1 29 29 ASN N N 15 116.617 0.4 . 1 . . . . 23 ASN N . 15851 1 278 . 1 1 30 30 GLY H H 1 10.384 0.04 . 1 . . . . 24 GLY H . 15851 1 279 . 1 1 30 30 GLY HA2 H 1 4.464 0.04 . 2 . . . . 24 GLY HA2 . 15851 1 280 . 1 1 30 30 GLY HA3 H 1 3.557 0.04 . 2 . . . . 24 GLY HA3 . 15851 1 281 . 1 1 30 30 GLY C C 13 172.942 0.4 . 1 . . . . 24 GLY C . 15851 1 282 . 1 1 30 30 GLY CA C 13 45.271 0.4 . 1 . . . . 24 GLY CA . 15851 1 283 . 1 1 30 30 GLY N N 15 113.281 0.4 . 1 . . . . 24 GLY N . 15851 1 284 . 1 1 31 31 ASP H H 1 7.729 0.04 . 1 . . . . 25 ASP H . 15851 1 285 . 1 1 31 31 ASP HA H 1 5.451 0.04 . 1 . . . . 25 ASP HA . 15851 1 286 . 1 1 31 31 ASP HB2 H 1 2.288 0.04 . 2 . . . . 25 ASP HB2 . 15851 1 287 . 1 1 31 31 ASP HB3 H 1 1.972 0.04 . 2 . . . . 25 ASP HB3 . 15851 1 288 . 1 1 31 31 ASP C C 13 175.161 0.4 . 1 . . . . 25 ASP C . 15851 1 289 . 1 1 31 31 ASP CA C 13 52.617 0.4 . 1 . . . . 25 ASP CA . 15851 1 290 . 1 1 31 31 ASP CB C 13 46.607 0.4 . 1 . . . . 25 ASP CB . 15851 1 291 . 1 1 31 31 ASP N N 15 119.188 0.4 . 1 . . . . 25 ASP N . 15851 1 292 . 1 1 32 32 VAL H H 1 9.754 0.04 . 1 . . . . 26 VAL H . 15851 1 293 . 1 1 32 32 VAL HA H 1 4.568 0.04 . 1 . . . . 26 VAL HA . 15851 1 294 . 1 1 32 32 VAL HB H 1 2.157 0.04 . 1 . . . . 26 VAL HB . 15851 1 295 . 1 1 32 32 VAL HG11 H 1 1.085 0.04 . 2 . . . . 26 VAL QG1 . 15851 1 296 . 1 1 32 32 VAL HG12 H 1 1.085 0.04 . 2 . . . . 26 VAL QG1 . 15851 1 297 . 1 1 32 32 VAL HG13 H 1 1.085 0.04 . 2 . . . . 26 VAL QG1 . 15851 1 298 . 1 1 32 32 VAL HG21 H 1 0.357 0.04 . 2 . . . . 26 VAL QG2 . 15851 1 299 . 1 1 32 32 VAL HG22 H 1 0.357 0.04 . 2 . . . . 26 VAL QG2 . 15851 1 300 . 1 1 32 32 VAL HG23 H 1 0.357 0.04 . 2 . . . . 26 VAL QG2 . 15851 1 301 . 1 1 32 32 VAL C C 13 175.177 0.4 . 1 . . . . 26 VAL C . 15851 1 302 . 1 1 32 32 VAL CA C 13 62.304 0.4 . 1 . . . . 26 VAL CA . 15851 1 303 . 1 1 32 32 VAL CB C 13 31.940 0.4 . 1 . . . . 26 VAL CB . 15851 1 304 . 1 1 32 32 VAL CG1 C 13 22.537 0.4 . 2 . . . . 26 VAL CG1 . 15851 1 305 . 1 1 32 32 VAL CG2 C 13 22.037 0.4 . 2 . . . . 26 VAL CG2 . 15851 1 306 . 1 1 32 32 VAL N N 15 127.938 0.4 . 1 . . . . 26 VAL N . 15851 1 307 . 1 1 33 33 ASP H H 1 9.213 0.04 . 1 . . . . 27 ASP H . 15851 1 308 . 1 1 33 33 ASP HA H 1 5.558 0.04 . 1 . . . . 27 ASP HA . 15851 1 309 . 1 1 33 33 ASP HB2 H 1 3.651 0.04 . 2 . . . . 27 ASP HB2 . 15851 1 310 . 1 1 33 33 ASP HB3 H 1 2.415 0.04 . 2 . . . . 27 ASP HB3 . 15851 1 311 . 1 1 33 33 ASP C C 13 175.648 0.4 . 1 . . . . 27 ASP C . 15851 1 312 . 1 1 33 33 ASP CA C 13 52.052 0.4 . 1 . . . . 27 ASP CA . 15851 1 313 . 1 1 33 33 ASP CB C 13 42.585 0.4 . 1 . . . . 27 ASP CB . 15851 1 314 . 1 1 33 33 ASP N N 15 131.711 0.4 . 1 . . . . 27 ASP N . 15851 1 315 . 1 1 34 34 VAL H H 1 7.761 0.04 . 1 . . . . 28 VAL H . 15851 1 316 . 1 1 34 34 VAL HA H 1 4.473 0.04 . 1 . . . . 28 VAL HA . 15851 1 317 . 1 1 34 34 VAL HB H 1 2.158 0.04 . 1 . . . . 28 VAL HB . 15851 1 318 . 1 1 34 34 VAL HG11 H 1 0.512 0.04 . 2 . . . . 28 VAL QG1 . 15851 1 319 . 1 1 34 34 VAL HG12 H 1 0.512 0.04 . 2 . . . . 28 VAL QG1 . 15851 1 320 . 1 1 34 34 VAL HG13 H 1 0.512 0.04 . 2 . . . . 28 VAL QG1 . 15851 1 321 . 1 1 34 34 VAL HG21 H 1 0.974 0.04 . 2 . . . . 28 VAL QG2 . 15851 1 322 . 1 1 34 34 VAL HG22 H 1 0.974 0.04 . 2 . . . . 28 VAL QG2 . 15851 1 323 . 1 1 34 34 VAL HG23 H 1 0.974 0.04 . 2 . . . . 28 VAL QG2 . 15851 1 324 . 1 1 34 34 VAL C C 13 180.011 0.4 . 1 . . . . 28 VAL C . 15851 1 325 . 1 1 34 34 VAL CA C 13 63.499 0.4 . 1 . . . . 28 VAL CA . 15851 1 326 . 1 1 34 34 VAL CB C 13 31.965 0.4 . 1 . . . . 28 VAL CB . 15851 1 327 . 1 1 34 34 VAL CG1 C 13 19.836 0.4 . 2 . . . . 28 VAL CG1 . 15851 1 328 . 1 1 34 34 VAL CG2 C 13 18.495 0.4 . 2 . . . . 28 VAL CG2 . 15851 1 329 . 1 1 34 34 VAL N N 15 106.938 0.4 . 1 . . . . 28 VAL N . 15851 1 330 . 1 1 35 35 GLU H H 1 8.433 0.04 . 1 . . . . 29 GLU H . 15851 1 331 . 1 1 35 35 GLU HA H 1 4.356 0.04 . 1 . . . . 29 GLU HA . 15851 1 332 . 1 1 35 35 GLU HB2 H 1 2.257 0.04 . 2 . . . . 29 GLU HB2 . 15851 1 333 . 1 1 35 35 GLU HB3 H 1 2.212 0.04 . 2 . . . . 29 GLU HB3 . 15851 1 334 . 1 1 35 35 GLU HG2 H 1 2.368 0.04 . 2 . . . . 29 GLU HG2 . 15851 1 335 . 1 1 35 35 GLU HG3 H 1 2.226 0.04 . 2 . . . . 29 GLU HG3 . 15851 1 336 . 1 1 35 35 GLU C C 13 178.810 0.4 . 1 . . . . 29 GLU C . 15851 1 337 . 1 1 35 35 GLU CA C 13 58.813 0.4 . 1 . . . . 29 GLU CA . 15851 1 338 . 1 1 35 35 GLU CB C 13 29.485 0.4 . 1 . . . . 29 GLU CB . 15851 1 339 . 1 1 35 35 GLU CG C 13 36.825 0.4 . 1 . . . . 29 GLU CG . 15851 1 340 . 1 1 35 35 GLU N N 15 123.836 0.4 . 1 . . . . 29 GLU N . 15851 1 341 . 1 1 36 36 GLU H H 1 9.174 0.04 . 1 . . . . 30 GLU H . 15851 1 342 . 1 1 36 36 GLU HA H 1 4.048 0.04 . 1 . . . . 30 GLU HA . 15851 1 343 . 1 1 36 36 GLU HB2 H 1 2.523 0.04 . 2 . . . . 30 GLU HB2 . 15851 1 344 . 1 1 36 36 GLU HB3 H 1 2.273 0.04 . 2 . . . . 30 GLU HB3 . 15851 1 345 . 1 1 36 36 GLU HG2 H 1 2.973 0.04 . 2 . . . . 30 GLU HG2 . 15851 1 346 . 1 1 36 36 GLU HG3 H 1 2.347 0.04 . 2 . . . . 30 GLU HG3 . 15851 1 347 . 1 1 36 36 GLU C C 13 181.394 0.4 . 1 . . . . 30 GLU C . 15851 1 348 . 1 1 36 36 GLU CA C 13 58.884 0.4 . 1 . . . . 30 GLU CA . 15851 1 349 . 1 1 36 36 GLU CB C 13 29.958 0.4 . 1 . . . . 30 GLU CB . 15851 1 350 . 1 1 36 36 GLU CG C 13 37.638 0.4 . 1 . . . . 30 GLU CG . 15851 1 351 . 1 1 36 36 GLU N N 15 122.469 0.4 . 1 . . . . 30 GLU N . 15851 1 352 . 1 1 37 37 SER H H 1 9.263 0.04 . 1 . . . . 31 SER H . 15851 1 353 . 1 1 37 37 SER HA H 1 4.470 0.04 . 1 . . . . 31 SER HA . 15851 1 354 . 1 1 37 37 SER HB2 H 1 3.960 0.04 . 2 . . . . 31 SER HB2 . 15851 1 355 . 1 1 37 37 SER HB3 H 1 3.850 0.04 . 2 . . . . 31 SER HB3 . 15851 1 356 . 1 1 37 37 SER CA C 13 58.499 0.4 . 1 . . . . 31 SER CA . 15851 1 357 . 1 1 37 37 SER CB C 13 61.546 0.4 . 1 . . . . 31 SER CB . 15851 1 358 . 1 1 37 37 SER N N 15 117.438 0.4 . 1 . . . . 31 SER N . 15851 1 359 . 1 1 38 38 ASP C C 13 177.837 0.4 . 1 . . . . 32 ASP C . 15851 1 360 . 1 1 39 39 GLU HA H 1 4.049 0.04 . 1 . . . . 33 GLU HA . 15851 1 361 . 1 1 39 39 GLU HB2 H 1 2.284 0.04 . 2 . . . . 33 GLU HB2 . 15851 1 362 . 1 1 39 39 GLU HB3 H 1 2.156 0.04 . 2 . . . . 33 GLU HB3 . 15851 1 363 . 1 1 39 39 GLU HG2 H 1 2.393 0.04 . 2 . . . . 33 GLU HG2 . 15851 1 364 . 1 1 39 39 GLU HG3 H 1 2.252 0.04 . 2 . . . . 33 GLU HG3 . 15851 1 365 . 1 1 39 39 GLU C C 13 177.472 0.4 . 1 . . . . 33 GLU C . 15851 1 366 . 1 1 39 39 GLU CA C 13 59.490 0.4 . 1 . . . . 33 GLU CA . 15851 1 367 . 1 1 39 39 GLU CB C 13 30.543 0.4 . 1 . . . . 33 GLU CB . 15851 1 368 . 1 1 39 39 GLU CG C 13 36.531 0.4 . 1 . . . . 33 GLU CG . 15851 1 369 . 1 1 40 40 PHE H H 1 7.989 0.04 . 1 . . . . 34 PHE H . 15851 1 370 . 1 1 40 40 PHE HA H 1 4.765 0.04 . 1 . . . . 34 PHE HA . 15851 1 371 . 1 1 40 40 PHE HB2 H 1 3.452 0.04 . 2 . . . . 34 PHE HB2 . 15851 1 372 . 1 1 40 40 PHE HB3 H 1 3.071 0.04 . 2 . . . . 34 PHE HB3 . 15851 1 373 . 1 1 40 40 PHE HD1 H 1 7.247 0.04 . 3 . . . . 34 PHE HD1 . 15851 1 374 . 1 1 40 40 PHE HD2 H 1 7.225 0.04 . 3 . . . . 34 PHE HD2 . 15851 1 375 . 1 1 40 40 PHE HE1 H 1 7.379 0.04 . 3 . . . . 34 PHE QE . 15851 1 376 . 1 1 40 40 PHE HE2 H 1 7.379 0.04 . 3 . . . . 34 PHE QE . 15851 1 377 . 1 1 40 40 PHE C C 13 178.141 0.4 . 1 . . . . 34 PHE C . 15851 1 378 . 1 1 40 40 PHE CA C 13 60.795 0.4 . 1 . . . . 34 PHE CA . 15851 1 379 . 1 1 40 40 PHE CB C 13 40.034 0.4 . 1 . . . . 34 PHE CB . 15851 1 380 . 1 1 40 40 PHE N N 15 120.325 0.4 . 1 . . . . 34 PHE N . 15851 1 381 . 1 1 41 41 LEU H H 1 8.261 0.04 . 1 . . . . 35 LEU H . 15851 1 382 . 1 1 41 41 LEU HA H 1 3.757 0.04 . 1 . . . . 35 LEU HA . 15851 1 383 . 1 1 41 41 LEU HB2 H 1 1.078 0.04 . 2 . . . . 35 LEU HB2 . 15851 1 384 . 1 1 41 41 LEU HB3 H 1 2.129 0.04 . 2 . . . . 35 LEU HB3 . 15851 1 385 . 1 1 41 41 LEU HD11 H 1 0.695 0.04 . 2 . . . . 35 LEU QD1 . 15851 1 386 . 1 1 41 41 LEU HD12 H 1 0.695 0.04 . 2 . . . . 35 LEU QD1 . 15851 1 387 . 1 1 41 41 LEU HD13 H 1 0.695 0.04 . 2 . . . . 35 LEU QD1 . 15851 1 388 . 1 1 41 41 LEU HD21 H 1 -0.174 0.04 . 2 . . . . 35 LEU QD2 . 15851 1 389 . 1 1 41 41 LEU HD22 H 1 -0.174 0.04 . 2 . . . . 35 LEU QD2 . 15851 1 390 . 1 1 41 41 LEU HD23 H 1 -0.174 0.04 . 2 . . . . 35 LEU QD2 . 15851 1 391 . 1 1 41 41 LEU HG H 1 1.422 0.04 . 1 . . . . 35 LEU HG . 15851 1 392 . 1 1 41 41 LEU C C 13 177.776 0.4 . 1 . . . . 35 LEU C . 15851 1 393 . 1 1 41 41 LEU CA C 13 58.668 0.4 . 1 . . . . 35 LEU CA . 15851 1 394 . 1 1 41 41 LEU CB C 13 42.740 0.4 . 1 . . . . 35 LEU CB . 15851 1 395 . 1 1 41 41 LEU CD1 C 13 24.786 0.4 . 2 . . . . 35 LEU CD1 . 15851 1 396 . 1 1 41 41 LEU CD2 C 13 24.631 0.4 . 2 . . . . 35 LEU CD2 . 15851 1 397 . 1 1 41 41 LEU CG C 13 28.851 0.4 . 1 . . . . 35 LEU CG . 15851 1 398 . 1 1 41 41 LEU N N 15 117.930 0.4 . 1 . . . . 35 LEU N . 15851 1 399 . 1 1 42 42 ARG H H 1 7.864 0.04 . 1 . . . . 36 ARG H . 15851 1 400 . 1 1 42 42 ARG HA H 1 4.420 0.04 . 1 . . . . 36 ARG HA . 15851 1 401 . 1 1 42 42 ARG HB2 H 1 1.838 0.04 . 2 . . . . 36 ARG HB2 . 15851 1 402 . 1 1 42 42 ARG HB3 H 1 1.795 0.04 . 2 . . . . 36 ARG HB3 . 15851 1 403 . 1 1 42 42 ARG HD2 H 1 3.220 0.04 . 2 . . . . 36 ARG HD2 . 15851 1 404 . 1 1 42 42 ARG HD3 H 1 3.031 0.04 . 2 . . . . 36 ARG HD3 . 15851 1 405 . 1 1 42 42 ARG HG2 H 1 1.795 0.04 . 2 . . . . 36 ARG HG2 . 15851 1 406 . 1 1 42 42 ARG HG3 H 1 1.582 0.04 . 2 . . . . 36 ARG HG3 . 15851 1 407 . 1 1 42 42 ARG C C 13 178.476 0.4 . 1 . . . . 36 ARG C . 15851 1 408 . 1 1 42 42 ARG CA C 13 58.676 0.4 . 1 . . . . 36 ARG CA . 15851 1 409 . 1 1 42 42 ARG CB C 13 32.129 0.4 . 1 . . . . 36 ARG CB . 15851 1 410 . 1 1 42 42 ARG CD C 13 42.933 0.4 . 1 . . . . 36 ARG CD . 15851 1 411 . 1 1 42 42 ARG CG C 13 29.257 0.4 . 1 . . . . 36 ARG CG . 15851 1 412 . 1 1 42 42 ARG N N 15 115.414 0.4 . 1 . . . . 36 ARG N . 15851 1 413 . 1 1 43 43 GLU H H 1 9.007 0.04 . 1 . . . . 37 GLU H . 15851 1 414 . 1 1 43 43 GLU HA H 1 4.192 0.04 . 1 . . . . 37 GLU HA . 15851 1 415 . 1 1 43 43 GLU HB2 H 1 1.892 0.04 . 2 . . . . 37 GLU HB2 . 15851 1 416 . 1 1 43 43 GLU HB3 H 1 2.096 0.04 . 2 . . . . 37 GLU HB3 . 15851 1 417 . 1 1 43 43 GLU HG2 H 1 2.452 0.04 . 2 . . . . 37 GLU HG2 . 15851 1 418 . 1 1 43 43 GLU HG3 H 1 2.157 0.04 . 2 . . . . 37 GLU HG3 . 15851 1 419 . 1 1 43 43 GLU C C 13 176.773 0.4 . 1 . . . . 37 GLU C . 15851 1 420 . 1 1 43 43 GLU CA C 13 57.126 0.4 . 1 . . . . 37 GLU CA . 15851 1 421 . 1 1 43 43 GLU CB C 13 29.646 0.4 . 1 . . . . 37 GLU CB . 15851 1 422 . 1 1 43 43 GLU CG C 13 36.014 0.4 . 1 . . . . 37 GLU CG . 15851 1 423 . 1 1 43 43 GLU N N 15 116.836 0.4 . 1 . . . . 37 GLU N . 15851 1 424 . 1 1 44 44 ASP H H 1 8.167 0.04 . 1 . . . . 38 ASP H . 15851 1 425 . 1 1 44 44 ASP HA H 1 4.271 0.04 . 1 . . . . 38 ASP HA . 15851 1 426 . 1 1 44 44 ASP HB2 H 1 1.700 0.04 . 2 . . . . 38 ASP HB2 . 15851 1 427 . 1 1 44 44 ASP HB3 H 1 1.676 0.04 . 2 . . . . 38 ASP HB3 . 15851 1 428 . 1 1 44 44 ASP C C 13 177.639 0.4 . 1 . . . . 38 ASP C . 15851 1 429 . 1 1 44 44 ASP CA C 13 56.781 0.4 . 1 . . . . 38 ASP CA . 15851 1 430 . 1 1 44 44 ASP CB C 13 39.807 0.4 . 1 . . . . 38 ASP CB . 15851 1 431 . 1 1 44 44 ASP N N 15 119.188 0.4 . 1 . . . . 38 ASP N . 15851 1 432 . 1 1 45 45 LEU H H 1 7.161 0.04 . 1 . . . . 39 LEU H . 15851 1 433 . 1 1 45 45 LEU HA H 1 4.485 0.04 . 1 . . . . 39 LEU HA . 15851 1 434 . 1 1 45 45 LEU HB2 H 1 1.823 0.04 . 2 . . . . 39 LEU HB2 . 15851 1 435 . 1 1 45 45 LEU HB3 H 1 2.072 0.04 . 2 . . . . 39 LEU HB3 . 15851 1 436 . 1 1 45 45 LEU HD11 H 1 1.239 0.04 . 2 . . . . 39 LEU QD1 . 15851 1 437 . 1 1 45 45 LEU HD12 H 1 1.239 0.04 . 2 . . . . 39 LEU QD1 . 15851 1 438 . 1 1 45 45 LEU HD13 H 1 1.239 0.04 . 2 . . . . 39 LEU QD1 . 15851 1 439 . 1 1 45 45 LEU HD21 H 1 0.973 0.04 . 2 . . . . 39 LEU QD2 . 15851 1 440 . 1 1 45 45 LEU HD22 H 1 0.973 0.04 . 2 . . . . 39 LEU QD2 . 15851 1 441 . 1 1 45 45 LEU HD23 H 1 0.973 0.04 . 2 . . . . 39 LEU QD2 . 15851 1 442 . 1 1 45 45 LEU C C 13 176.028 0.4 . 1 . . . . 39 LEU C . 15851 1 443 . 1 1 45 45 LEU CA C 13 53.733 0.4 . 1 . . . . 39 LEU CA . 15851 1 444 . 1 1 45 45 LEU CB C 13 42.020 0.4 . 1 . . . . 39 LEU CB . 15851 1 445 . 1 1 45 45 LEU CD1 C 13 27.592 0.4 . 2 . . . . 39 LEU CD1 . 15851 1 446 . 1 1 45 45 LEU CD2 C 13 23.248 0.4 . 2 . . . . 39 LEU CD2 . 15851 1 447 . 1 1 45 45 LEU N N 15 112.953 0.4 . 1 . . . . 39 LEU N . 15851 1 448 . 1 1 46 46 ASN H H 1 6.735 0.04 . 1 . . . . 40 ASN H . 15851 1 449 . 1 1 46 46 ASN HA H 1 4.341 0.04 . 1 . . . . 40 ASN HA . 15851 1 450 . 1 1 46 46 ASN HB2 H 1 2.471 0.04 . 2 . . . . 40 ASN HB2 . 15851 1 451 . 1 1 46 46 ASN HB3 H 1 2.966 0.04 . 2 . . . . 40 ASN HB3 . 15851 1 452 . 1 1 46 46 ASN C C 13 174.508 0.4 . 1 . . . . 40 ASN C . 15851 1 453 . 1 1 46 46 ASN CA C 13 54.296 0.4 . 1 . . . . 40 ASN CA . 15851 1 454 . 1 1 46 46 ASN CB C 13 37.629 0.4 . 1 . . . . 40 ASN CB . 15851 1 455 . 1 1 46 46 ASN N N 15 112.734 0.4 . 1 . . . . 40 ASN N . 15851 1 456 . 1 1 47 47 TYR H H 1 8.797 0.04 . 1 . . . . 41 TYR H . 15851 1 457 . 1 1 47 47 TYR HA H 1 4.468 0.04 . 1 . . . . 41 TYR HA . 15851 1 458 . 1 1 47 47 TYR HB2 H 1 3.003 0.04 . 2 . . . . 41 TYR HB2 . 15851 1 459 . 1 1 47 47 TYR HB3 H 1 2.785 0.04 . 2 . . . . 41 TYR HB3 . 15851 1 460 . 1 1 47 47 TYR HD1 H 1 7.047 0.04 . 3 . . . . 41 TYR QD . 15851 1 461 . 1 1 47 47 TYR HD2 H 1 7.047 0.04 . 3 . . . . 41 TYR QD . 15851 1 462 . 1 1 47 47 TYR HE1 H 1 6.793 0.04 . 3 . . . . 41 TYR QE . 15851 1 463 . 1 1 47 47 TYR HE2 H 1 6.793 0.04 . 3 . . . . 41 TYR QE . 15851 1 464 . 1 1 47 47 TYR CA C 13 59.098 0.4 . 1 . . . . 41 TYR CA . 15851 1 465 . 1 1 47 47 TYR CB C 13 38.391 0.4 . 1 . . . . 41 TYR CB . 15851 1 466 . 1 1 47 47 TYR N N 15 118.149 0.4 . 1 . . . . 41 TYR N . 15851 1 467 . 1 1 49 49 ASP HA H 1 5.075 0.04 . 1 . . . . 43 ASP HA . 15851 1 468 . 1 1 49 49 ASP HB2 H 1 2.880 0.04 . 2 . . . . 43 ASP HB2 . 15851 1 469 . 1 1 49 49 ASP HB3 H 1 2.487 0.04 . 2 . . . . 43 ASP HB3 . 15851 1 470 . 1 1 49 49 ASP CA C 13 50.643 0.4 . 1 . . . . 43 ASP CA . 15851 1 471 . 1 1 49 49 ASP CB C 13 40.734 0.4 . 1 . . . . 43 ASP CB . 15851 1 472 . 1 1 50 50 PRO HA H 1 4.393 0.04 . 1 . . . . 44 PRO HA . 15851 1 473 . 1 1 50 50 PRO HB2 H 1 1.797 0.04 . 2 . . . . 44 PRO HB2 . 15851 1 474 . 1 1 50 50 PRO HB3 H 1 2.150 0.04 . 2 . . . . 44 PRO HB3 . 15851 1 475 . 1 1 50 50 PRO HD2 H 1 3.397 0.04 . 2 . . . . 44 PRO HD2 . 15851 1 476 . 1 1 50 50 PRO HD3 H 1 3.821 0.04 . 2 . . . . 44 PRO HD3 . 15851 1 477 . 1 1 50 50 PRO HG2 H 1 1.886 0.04 . 2 . . . . 44 PRO HG2 . 15851 1 478 . 1 1 50 50 PRO HG3 H 1 1.829 0.04 . 2 . . . . 44 PRO HG3 . 15851 1 479 . 1 1 50 50 PRO C C 13 175.466 0.4 . 1 . . . . 44 PRO C . 15851 1 480 . 1 1 50 50 PRO CA C 13 62.989 0.4 . 1 . . . . 44 PRO CA . 15851 1 481 . 1 1 50 50 PRO CB C 13 33.691 0.4 . 1 . . . . 44 PRO CB . 15851 1 482 . 1 1 50 50 PRO CD C 13 49.858 0.4 . 1 . . . . 44 PRO CD . 15851 1 483 . 1 1 50 50 PRO CG C 13 26.195 0.4 . 1 . . . . 44 PRO CG . 15851 1 484 . 1 1 51 51 THR H H 1 7.693 0.04 . 1 . . . . 45 THR H . 15851 1 485 . 1 1 51 51 THR HA H 1 3.858 0.04 . 1 . . . . 45 THR HA . 15851 1 486 . 1 1 51 51 THR HB H 1 4.135 0.04 . 1 . . . . 45 THR HB . 15851 1 487 . 1 1 51 51 THR HG21 H 1 1.247 0.04 . 1 . . . . 45 THR QG2 . 15851 1 488 . 1 1 51 51 THR HG22 H 1 1.247 0.04 . 1 . . . . 45 THR QG2 . 15851 1 489 . 1 1 51 51 THR HG23 H 1 1.247 0.04 . 1 . . . . 45 THR QG2 . 15851 1 490 . 1 1 51 51 THR C C 13 176.183 0.4 . 1 . . . . 45 THR C . 15851 1 491 . 1 1 51 51 THR CA C 13 67.226 0.4 . 1 . . . . 45 THR CA . 15851 1 492 . 1 1 51 51 THR CB C 13 68.806 0.4 . 1 . . . . 45 THR CB . 15851 1 493 . 1 1 51 51 THR CG2 C 13 21.217 0.4 . 1 . . . . 45 THR CG2 . 15851 1 494 . 1 1 51 51 THR N N 15 114.320 0.4 . 1 . . . . 45 THR N . 15851 1 495 . 1 1 52 52 VAL H H 1 8.364 0.04 . 1 . . . . 46 VAL H . 15851 1 496 . 1 1 52 52 VAL HA H 1 3.852 0.04 . 1 . . . . 46 VAL HA . 15851 1 497 . 1 1 52 52 VAL HB H 1 2.050 0.04 . 1 . . . . 46 VAL HB . 15851 1 498 . 1 1 52 52 VAL HG11 H 1 0.959 0.04 . 2 . . . . 46 VAL QG1 . 15851 1 499 . 1 1 52 52 VAL HG12 H 1 0.959 0.04 . 2 . . . . 46 VAL QG1 . 15851 1 500 . 1 1 52 52 VAL HG13 H 1 0.959 0.04 . 2 . . . . 46 VAL QG1 . 15851 1 501 . 1 1 52 52 VAL HG21 H 1 1.046 0.04 . 2 . . . . 46 VAL QG2 . 15851 1 502 . 1 1 52 52 VAL HG22 H 1 1.046 0.04 . 2 . . . . 46 VAL QG2 . 15851 1 503 . 1 1 52 52 VAL HG23 H 1 1.046 0.04 . 2 . . . . 46 VAL QG2 . 15851 1 504 . 1 1 52 52 VAL C C 13 178.947 0.4 . 1 . . . . 46 VAL C . 15851 1 505 . 1 1 52 52 VAL CA C 13 66.354 0.4 . 1 . . . . 46 VAL CA . 15851 1 506 . 1 1 52 52 VAL CB C 13 31.485 0.4 . 1 . . . . 46 VAL CB . 15851 1 507 . 1 1 52 52 VAL CG1 C 13 20.923 0.4 . 2 . . . . 46 VAL CG1 . 15851 1 508 . 1 1 52 52 VAL CG2 C 13 22.365 0.4 . 2 . . . . 46 VAL CG2 . 15851 1 509 . 1 1 52 52 VAL N N 15 122.113 0.4 . 1 . . . . 46 VAL N . 15851 1 510 . 1 1 53 53 LYS H H 1 7.972 0.04 . 1 . . . . 47 LYS H . 15851 1 511 . 1 1 53 53 LYS HA H 1 4.053 0.04 . 1 . . . . 47 LYS HA . 15851 1 512 . 1 1 53 53 LYS HB2 H 1 1.293 0.04 . 2 . . . . 47 LYS HB2 . 15851 1 513 . 1 1 53 53 LYS HB3 H 1 1.213 0.04 . 2 . . . . 47 LYS HB3 . 15851 1 514 . 1 1 53 53 LYS HD2 H 1 1.267 0.04 . 2 . . . . 47 LYS HD2 . 15851 1 515 . 1 1 53 53 LYS HD3 H 1 1.187 0.04 . 2 . . . . 47 LYS HD3 . 15851 1 516 . 1 1 53 53 LYS HE2 H 1 2.910 0.04 . 2 . . . . 47 LYS HE2 . 15851 1 517 . 1 1 53 53 LYS HE3 H 1 2.847 0.04 . 2 . . . . 47 LYS HE3 . 15851 1 518 . 1 1 53 53 LYS HG2 H 1 1.264 0.04 . 2 . . . . 47 LYS HG2 . 15851 1 519 . 1 1 53 53 LYS HG3 H 1 1.109 0.04 . 2 . . . . 47 LYS HG3 . 15851 1 520 . 1 1 53 53 LYS C C 13 178.308 0.4 . 1 . . . . 47 LYS C . 15851 1 521 . 1 1 53 53 LYS CA C 13 58.343 0.4 . 1 . . . . 47 LYS CA . 15851 1 522 . 1 1 53 53 LYS CB C 13 31.743 0.4 . 1 . . . . 47 LYS CB . 15851 1 523 . 1 1 53 53 LYS CD C 13 28.232 0.4 . 1 . . . . 47 LYS CD . 15851 1 524 . 1 1 53 53 LYS CE C 13 42.021 0.4 . 1 . . . . 47 LYS CE . 15851 1 525 . 1 1 53 53 LYS CG C 13 25.666 0.4 . 1 . . . . 47 LYS CG . 15851 1 526 . 1 1 53 53 LYS N N 15 120.938 0.4 . 1 . . . . 47 LYS N . 15851 1 527 . 1 1 54 54 HIS H H 1 8.792 0.04 . 1 . . . . 48 HIS H . 15851 1 528 . 1 1 54 54 HIS HA H 1 3.998 0.04 . 1 . . . . 48 HIS HA . 15851 1 529 . 1 1 54 54 HIS HB2 H 1 3.202 0.04 . 2 . . . . 48 HIS HB2 . 15851 1 530 . 1 1 54 54 HIS HB3 H 1 3.027 0.04 . 2 . . . . 48 HIS HB3 . 15851 1 531 . 1 1 54 54 HIS HD2 H 1 7.018 0.04 . 1 . . . . 48 HIS HD2 . 15851 1 532 . 1 1 54 54 HIS C C 13 176.955 0.4 . 1 . . . . 48 HIS C . 15851 1 533 . 1 1 54 54 HIS CA C 13 61.365 0.4 . 1 . . . . 48 HIS CA . 15851 1 534 . 1 1 54 54 HIS CB C 13 31.811 0.4 . 1 . . . . 48 HIS CB . 15851 1 535 . 1 1 54 54 HIS N N 15 120.227 0.4 . 1 . . . . 48 HIS N . 15851 1 536 . 1 1 55 55 SER H H 1 8.215 0.04 . 1 . . . . 49 SER H . 15851 1 537 . 1 1 55 55 SER HA H 1 4.428 0.04 . 1 . . . . 49 SER HA . 15851 1 538 . 1 1 55 55 SER HB2 H 1 4.155 0.04 . 2 . . . . 49 SER HB2 . 15851 1 539 . 1 1 55 55 SER HB3 H 1 4.104 0.04 . 2 . . . . 49 SER HB3 . 15851 1 540 . 1 1 55 55 SER C C 13 178.095 0.4 . 1 . . . . 49 SER C . 15851 1 541 . 1 1 55 55 SER CA C 13 61.029 0.4 . 1 . . . . 49 SER CA . 15851 1 542 . 1 1 55 55 SER CB C 13 62.713 0.4 . 1 . . . . 49 SER CB . 15851 1 543 . 1 1 55 55 SER N N 15 112.265 0.4 . 1 . . . . 49 SER N . 15851 1 544 . 1 1 56 56 THR H H 1 8.215 0.04 . 1 . . . . 50 THR H . 15851 1 545 . 1 1 56 56 THR HA H 1 4.056 0.04 . 1 . . . . 50 THR HA . 15851 1 546 . 1 1 56 56 THR HB H 1 4.461 0.04 . 1 . . . . 50 THR HB . 15851 1 547 . 1 1 56 56 THR HG21 H 1 1.395 0.04 . 1 . . . . 50 THR QG2 . 15851 1 548 . 1 1 56 56 THR HG22 H 1 1.395 0.04 . 1 . . . . 50 THR QG2 . 15851 1 549 . 1 1 56 56 THR HG23 H 1 1.395 0.04 . 1 . . . . 50 THR QG2 . 15851 1 550 . 1 1 56 56 THR CA C 13 65.655 0.4 . 1 . . . . 50 THR CA . 15851 1 551 . 1 1 56 56 THR CB C 13 68.613 0.4 . 1 . . . . 50 THR CB . 15851 1 552 . 1 1 56 56 THR CG2 C 13 21.713 0.4 . 1 . . . . 50 THR CG2 . 15851 1 553 . 1 1 56 56 THR N N 15 118.641 0.4 . 1 . . . . 50 THR N . 15851 1 554 . 1 1 57 57 PHE H H 1 8.415 0.04 . 1 . . . . 51 PHE H . 15851 1 555 . 1 1 57 57 PHE HA H 1 4.236 0.04 . 1 . . . . 51 PHE HA . 15851 1 556 . 1 1 57 57 PHE HB2 H 1 3.486 0.04 . 2 . . . . 51 PHE HB2 . 15851 1 557 . 1 1 57 57 PHE HB3 H 1 3.193 0.04 . 2 . . . . 51 PHE HB3 . 15851 1 558 . 1 1 57 57 PHE HD1 H 1 6.684 0.04 . 3 . . . . 51 PHE QD . 15851 1 559 . 1 1 57 57 PHE HD2 H 1 6.684 0.04 . 3 . . . . 51 PHE QD . 15851 1 560 . 1 1 57 57 PHE HE1 H 1 7.336 0.04 . 3 . . . . 51 PHE QE . 15851 1 561 . 1 1 57 57 PHE HE2 H 1 7.336 0.04 . 3 . . . . 51 PHE QE . 15851 1 562 . 1 1 57 57 PHE C C 13 175.663 0.4 . 1 . . . . 51 PHE C . 15851 1 563 . 1 1 57 57 PHE CA C 13 61.018 0.4 . 1 . . . . 51 PHE CA . 15851 1 564 . 1 1 57 57 PHE CB C 13 39.579 0.4 . 1 . . . . 51 PHE CB . 15851 1 565 . 1 1 57 57 PHE N N 15 123.634 0.4 . 1 . . . . 51 PHE N . 15851 1 566 . 1 1 58 58 HIS H H 1 7.375 0.04 . 1 . . . . 52 HIS H . 15851 1 567 . 1 1 58 58 HIS HA H 1 4.214 0.04 . 1 . . . . 52 HIS HA . 15851 1 568 . 1 1 58 58 HIS HB2 H 1 2.888 0.04 . 2 . . . . 52 HIS HB2 . 15851 1 569 . 1 1 58 58 HIS HB3 H 1 2.706 0.04 . 2 . . . . 52 HIS HB3 . 15851 1 570 . 1 1 58 58 HIS HD2 H 1 6.208 0.04 . 1 . . . . 52 HIS HD2 . 15851 1 571 . 1 1 58 58 HIS C C 13 177.639 0.4 . 1 . . . . 52 HIS C . 15851 1 572 . 1 1 58 58 HIS CA C 13 58.219 0.4 . 1 . . . . 52 HIS CA . 15851 1 573 . 1 1 58 58 HIS CB C 13 29.268 0.4 . 1 . . . . 52 HIS CB . 15851 1 574 . 1 1 58 58 HIS N N 15 111.641 0.4 . 1 . . . . 52 HIS N . 15851 1 575 . 1 1 59 59 GLY H H 1 8.346 0.04 . 1 . . . . 53 GLY H . 15851 1 576 . 1 1 59 59 GLY HA2 H 1 3.779 0.04 . 2 . . . . 53 GLY HA2 . 15851 1 577 . 1 1 59 59 GLY HA3 H 1 3.965 0.04 . 2 . . . . 53 GLY HA3 . 15851 1 578 . 1 1 59 59 GLY C C 13 175.709 0.4 . 1 . . . . 53 GLY C . 15851 1 579 . 1 1 59 59 GLY CA C 13 47.198 0.4 . 1 . . . . 53 GLY CA . 15851 1 580 . 1 1 59 59 GLY N N 15 110.164 0.4 . 1 . . . . 53 GLY N . 15851 1 581 . 1 1 60 60 GLU H H 1 8.936 0.04 . 1 . . . . 54 GLU H . 15851 1 582 . 1 1 60 60 GLU HA H 1 4.314 0.04 . 1 . . . . 54 GLU HA . 15851 1 583 . 1 1 60 60 GLU HB2 H 1 2.242 0.04 . 2 . . . . 54 GLU HB2 . 15851 1 584 . 1 1 60 60 GLU HB3 H 1 1.848 0.04 . 2 . . . . 54 GLU HB3 . 15851 1 585 . 1 1 60 60 GLU HG2 H 1 2.236 0.04 . 2 . . . . 54 GLU HG2 . 15851 1 586 . 1 1 60 60 GLU HG3 H 1 2.223 0.04 . 2 . . . . 54 GLU HG3 . 15851 1 587 . 1 1 60 60 GLU C C 13 175.131 0.4 . 1 . . . . 54 GLU C . 15851 1 588 . 1 1 60 60 GLU CA C 13 56.290 0.4 . 1 . . . . 54 GLU CA . 15851 1 589 . 1 1 60 60 GLU CB C 13 29.998 0.4 . 1 . . . . 54 GLU CB . 15851 1 590 . 1 1 60 60 GLU CG C 13 36.265 0.4 . 1 . . . . 54 GLU CG . 15851 1 591 . 1 1 60 60 GLU N N 15 124.438 0.4 . 1 . . . . 54 GLU N . 15851 1 592 . 1 1 61 61 ASP H H 1 8.183 0.04 . 1 . . . . 55 ASP H . 15851 1 593 . 1 1 61 61 ASP HA H 1 4.762 0.04 . 1 . . . . 55 ASP HA . 15851 1 594 . 1 1 61 61 ASP HB2 H 1 3.148 0.04 . 2 . . . . 55 ASP HB2 . 15851 1 595 . 1 1 61 61 ASP HB3 H 1 2.375 0.04 . 2 . . . . 55 ASP HB3 . 15851 1 596 . 1 1 61 61 ASP C C 13 174.842 0.4 . 1 . . . . 55 ASP C . 15851 1 597 . 1 1 61 61 ASP CA C 13 52.660 0.4 . 1 . . . . 55 ASP CA . 15851 1 598 . 1 1 61 61 ASP CB C 13 40.830 0.4 . 1 . . . . 55 ASP CB . 15851 1 599 . 1 1 61 61 ASP N N 15 121.375 0.4 . 1 . . . . 55 ASP N . 15851 1 600 . 1 1 62 62 LYS H H 1 8.520 0.04 . 1 . . . . 56 LYS H . 15851 1 601 . 1 1 62 62 LYS HA H 1 3.877 0.04 . 1 . . . . 56 LYS HA . 15851 1 602 . 1 1 62 62 LYS HB2 H 1 2.066 0.04 . 2 . . . . 56 LYS HB2 . 15851 1 603 . 1 1 62 62 LYS HB3 H 1 1.774 0.04 . 2 . . . . 56 LYS HB3 . 15851 1 604 . 1 1 62 62 LYS HD2 H 1 1.528 0.04 . 2 . . . . 56 LYS HD2 . 15851 1 605 . 1 1 62 62 LYS HD3 H 1 1.516 0.04 . 2 . . . . 56 LYS HD3 . 15851 1 606 . 1 1 62 62 LYS HE2 H 1 2.987 0.04 . 2 . . . . 56 LYS HE2 . 15851 1 607 . 1 1 62 62 LYS HE3 H 1 2.970 0.04 . 2 . . . . 56 LYS HE3 . 15851 1 608 . 1 1 62 62 LYS HG2 H 1 1.537 0.04 . 2 . . . . 56 LYS HG2 . 15851 1 609 . 1 1 62 62 LYS HG3 H 1 1.369 0.04 . 2 . . . . 56 LYS HG3 . 15851 1 610 . 1 1 62 62 LYS C C 13 174.933 0.4 . 1 . . . . 56 LYS C . 15851 1 611 . 1 1 62 62 LYS CA C 13 56.787 0.4 . 1 . . . . 56 LYS CA . 15851 1 612 . 1 1 62 62 LYS CB C 13 32.152 0.4 . 1 . . . . 56 LYS CB . 15851 1 613 . 1 1 62 62 LYS CD C 13 28.197 0.4 . 1 . . . . 56 LYS CD . 15851 1 614 . 1 1 62 62 LYS CE C 13 42.122 0.4 . 1 . . . . 56 LYS CE . 15851 1 615 . 1 1 62 62 LYS CG C 13 25.199 0.4 . 1 . . . . 56 LYS CG . 15851 1 616 . 1 1 62 62 LYS N N 15 123.399 0.4 . 1 . . . . 56 LYS N . 15851 1 617 . 1 1 63 63 LEU H H 1 7.790 0.04 . 1 . . . . 57 LEU H . 15851 1 618 . 1 1 63 63 LEU HA H 1 4.766 0.04 . 1 . . . . 57 LEU HA . 15851 1 619 . 1 1 63 63 LEU HB2 H 1 1.782 0.04 . 2 . . . . 57 LEU HB2 . 15851 1 620 . 1 1 63 63 LEU HB3 H 1 1.119 0.04 . 2 . . . . 57 LEU HB3 . 15851 1 621 . 1 1 63 63 LEU HD11 H 1 1.418 0.04 . 2 . . . . 57 LEU QD1 . 15851 1 622 . 1 1 63 63 LEU HD12 H 1 1.418 0.04 . 2 . . . . 57 LEU QD1 . 15851 1 623 . 1 1 63 63 LEU HD13 H 1 1.418 0.04 . 2 . . . . 57 LEU QD1 . 15851 1 624 . 1 1 63 63 LEU HD21 H 1 0.960 0.04 . 2 . . . . 57 LEU QD2 . 15851 1 625 . 1 1 63 63 LEU HD22 H 1 0.960 0.04 . 2 . . . . 57 LEU QD2 . 15851 1 626 . 1 1 63 63 LEU HD23 H 1 0.960 0.04 . 2 . . . . 57 LEU QD2 . 15851 1 627 . 1 1 63 63 LEU HG H 1 1.962 0.04 . 1 . . . . 57 LEU HG . 15851 1 628 . 1 1 63 63 LEU C C 13 174.219 0.4 . 1 . . . . 57 LEU C . 15851 1 629 . 1 1 63 63 LEU CA C 13 52.569 0.4 . 1 . . . . 57 LEU CA . 15851 1 630 . 1 1 63 63 LEU CB C 13 44.036 0.4 . 1 . . . . 57 LEU CB . 15851 1 631 . 1 1 63 63 LEU CD1 C 13 25.999 0.4 . 2 . . . . 57 LEU CD1 . 15851 1 632 . 1 1 63 63 LEU CD2 C 13 23.369 0.4 . 2 . . . . 57 LEU CD2 . 15851 1 633 . 1 1 63 63 LEU CG C 13 23.612 0.4 . 1 . . . . 57 LEU CG . 15851 1 634 . 1 1 63 63 LEU N N 15 119.899 0.4 . 1 . . . . 57 LEU N . 15851 1 635 . 1 1 64 64 ILE H H 1 9.143 0.04 . 1 . . . . 58 ILE H . 15851 1 636 . 1 1 64 64 ILE HA H 1 4.789 0.04 . 1 . . . . 58 ILE HA . 15851 1 637 . 1 1 64 64 ILE HB H 1 2.223 0.04 . 1 . . . . 58 ILE HB . 15851 1 638 . 1 1 64 64 ILE HD11 H 1 0.492 0.04 . 1 . . . . 58 ILE QD1 . 15851 1 639 . 1 1 64 64 ILE HD12 H 1 0.492 0.04 . 1 . . . . 58 ILE QD1 . 15851 1 640 . 1 1 64 64 ILE HD13 H 1 0.492 0.04 . 1 . . . . 58 ILE QD1 . 15851 1 641 . 1 1 64 64 ILE HG12 H 1 0.702 0.04 . 2 . . . . 58 ILE HG12 . 15851 1 642 . 1 1 64 64 ILE HG13 H 1 1.264 0.04 . 2 . . . . 58 ILE HG13 . 15851 1 643 . 1 1 64 64 ILE HG21 H 1 0.828 0.04 . 1 . . . . 58 ILE QG2 . 15851 1 644 . 1 1 64 64 ILE HG22 H 1 0.828 0.04 . 1 . . . . 58 ILE QG2 . 15851 1 645 . 1 1 64 64 ILE HG23 H 1 0.828 0.04 . 1 . . . . 58 ILE QG2 . 15851 1 646 . 1 1 64 64 ILE C C 13 176.454 0.4 . 1 . . . . 58 ILE C . 15851 1 647 . 1 1 64 64 ILE CA C 13 58.031 0.4 . 1 . . . . 58 ILE CA . 15851 1 648 . 1 1 64 64 ILE CB C 13 36.706 0.4 . 1 . . . . 58 ILE CB . 15851 1 649 . 1 1 64 64 ILE CD1 C 13 9.064 0.4 . 1 . . . . 58 ILE CD1 . 15851 1 650 . 1 1 64 64 ILE CG1 C 13 26.077 0.4 . 1 . . . . 58 ILE CG1 . 15851 1 651 . 1 1 64 64 ILE CG2 C 13 16.603 0.4 . 1 . . . . 58 ILE CG2 . 15851 1 652 . 1 1 64 64 ILE N N 15 127.500 0.4 . 1 . . . . 58 ILE N . 15851 1 653 . 1 1 65 65 SER H H 1 10.131 0.04 . 1 . . . . 59 SER H . 15851 1 654 . 1 1 65 65 SER HA H 1 5.397 0.04 . 1 . . . . 59 SER HA . 15851 1 655 . 1 1 65 65 SER HB2 H 1 4.413 0.04 . 2 . . . . 59 SER HB2 . 15851 1 656 . 1 1 65 65 SER HB3 H 1 4.248 0.04 . 2 . . . . 59 SER HB3 . 15851 1 657 . 1 1 65 65 SER C C 13 174.949 0.4 . 1 . . . . 59 SER C . 15851 1 658 . 1 1 65 65 SER CA C 13 57.685 0.4 . 1 . . . . 59 SER CA . 15851 1 659 . 1 1 65 65 SER CB C 13 65.639 0.4 . 1 . . . . 59 SER CB . 15851 1 660 . 1 1 65 65 SER N N 15 132.859 0.4 . 1 . . . . 59 SER N . 15851 1 661 . 1 1 66 66 VAL H H 1 8.750 0.04 . 1 . . . . 60 VAL H . 15851 1 662 . 1 1 66 66 VAL HA H 1 3.120 0.04 . 1 . . . . 60 VAL HA . 15851 1 663 . 1 1 66 66 VAL HB H 1 1.679 0.04 . 1 . . . . 60 VAL HB . 15851 1 664 . 1 1 66 66 VAL HG11 H 1 0.447 0.04 . 2 . . . . 60 VAL QG1 . 15851 1 665 . 1 1 66 66 VAL HG12 H 1 0.447 0.04 . 2 . . . . 60 VAL QG1 . 15851 1 666 . 1 1 66 66 VAL HG13 H 1 0.447 0.04 . 2 . . . . 60 VAL QG1 . 15851 1 667 . 1 1 66 66 VAL HG21 H 1 0.651 0.04 . 2 . . . . 60 VAL QG2 . 15851 1 668 . 1 1 66 66 VAL HG22 H 1 0.651 0.04 . 2 . . . . 60 VAL QG2 . 15851 1 669 . 1 1 66 66 VAL HG23 H 1 0.651 0.04 . 2 . . . . 60 VAL QG2 . 15851 1 670 . 1 1 66 66 VAL C C 13 177.062 0.4 . 1 . . . . 60 VAL C . 15851 1 671 . 1 1 66 66 VAL CA C 13 67.167 0.4 . 1 . . . . 60 VAL CA . 15851 1 672 . 1 1 66 66 VAL CB C 13 30.840 0.4 . 1 . . . . 60 VAL CB . 15851 1 673 . 1 1 66 66 VAL CG1 C 13 23.149 0.4 . 2 . . . . 60 VAL CG1 . 15851 1 674 . 1 1 66 66 VAL CG2 C 13 21.451 0.4 . 2 . . . . 60 VAL CG2 . 15851 1 675 . 1 1 66 66 VAL N N 15 121.703 0.4 . 1 . . . . 60 VAL N . 15851 1 676 . 1 1 67 67 GLU H H 1 8.235 0.04 . 1 . . . . 61 GLU H . 15851 1 677 . 1 1 67 67 GLU HA H 1 4.091 0.04 . 1 . . . . 61 GLU HA . 15851 1 678 . 1 1 67 67 GLU HB2 H 1 1.674 0.04 . 2 . . . . 61 GLU HB2 . 15851 1 679 . 1 1 67 67 GLU HB3 H 1 2.038 0.04 . 2 . . . . 61 GLU HB3 . 15851 1 680 . 1 1 67 67 GLU HG2 H 1 2.400 0.04 . 2 . . . . 61 GLU HG2 . 15851 1 681 . 1 1 67 67 GLU HG3 H 1 2.339 0.04 . 2 . . . . 61 GLU HG3 . 15851 1 682 . 1 1 67 67 GLU CA C 13 60.192 0.4 . 1 . . . . 61 GLU CA . 15851 1 683 . 1 1 67 67 GLU CB C 13 28.968 0.4 . 1 . . . . 61 GLU CB . 15851 1 684 . 1 1 67 67 GLU CG C 13 37.046 0.4 . 1 . . . . 61 GLU CG . 15851 1 685 . 1 1 67 67 GLU N N 15 119.297 0.4 . 1 . . . . 61 GLU N . 15851 1 686 . 1 1 68 68 ASP HA H 1 4.784 0.04 . 1 . . . . 62 ASP HA . 15851 1 687 . 1 1 68 68 ASP HB2 H 1 2.918 0.04 . 2 . . . . 62 ASP HB2 . 15851 1 688 . 1 1 68 68 ASP HB3 H 1 2.853 0.04 . 2 . . . . 62 ASP HB3 . 15851 1 689 . 1 1 68 68 ASP CA C 13 53.085 0.4 . 1 . . . . 62 ASP CA . 15851 1 690 . 1 1 68 68 ASP CB C 13 38.388 0.4 . 1 . . . . 62 ASP CB . 15851 1 691 . 1 1 69 69 LEU HA H 1 4.044 0.04 . 1 . . . . 63 LEU HA . 15851 1 692 . 1 1 69 69 LEU HB2 H 1 1.940 0.04 . 2 . . . . 63 LEU HB2 . 15851 1 693 . 1 1 69 69 LEU HB3 H 1 1.441 0.04 . 2 . . . . 63 LEU HB3 . 15851 1 694 . 1 1 69 69 LEU HD11 H 1 0.898 0.04 . 2 . . . . 63 LEU QD1 . 15851 1 695 . 1 1 69 69 LEU HD12 H 1 0.898 0.04 . 2 . . . . 63 LEU QD1 . 15851 1 696 . 1 1 69 69 LEU HD13 H 1 0.898 0.04 . 2 . . . . 63 LEU QD1 . 15851 1 697 . 1 1 69 69 LEU HD21 H 1 0.983 0.04 . 2 . . . . 63 LEU QD2 . 15851 1 698 . 1 1 69 69 LEU HD22 H 1 0.983 0.04 . 2 . . . . 63 LEU QD2 . 15851 1 699 . 1 1 69 69 LEU HD23 H 1 0.983 0.04 . 2 . . . . 63 LEU QD2 . 15851 1 700 . 1 1 69 69 LEU HG H 1 1.654 0.04 . 1 . . . . 63 LEU HG . 15851 1 701 . 1 1 69 69 LEU CA C 13 57.468 0.4 . 1 . . . . 63 LEU CA . 15851 1 702 . 1 1 69 69 LEU CB C 13 42.375 0.4 . 1 . . . . 63 LEU CB . 15851 1 703 . 1 1 69 69 LEU CD1 C 13 26.481 0.4 . 2 . . . . 63 LEU CD1 . 15851 1 704 . 1 1 69 69 LEU CD2 C 13 24.218 0.4 . 2 . . . . 63 LEU CD2 . 15851 1 705 . 1 1 69 69 LEU CG C 13 26.701 0.4 . 1 . . . . 63 LEU CG . 15851 1 706 . 1 1 70 70 TRP H H 1 8.849 0.04 . 1 . . . . 64 TRP H . 15851 1 707 . 1 1 70 70 TRP HA H 1 4.515 0.04 . 1 . . . . 64 TRP HA . 15851 1 708 . 1 1 70 70 TRP HB2 H 1 2.314 0.04 . 2 . . . . 64 TRP HB2 . 15851 1 709 . 1 1 70 70 TRP HB3 H 1 2.250 0.04 . 2 . . . . 64 TRP HB3 . 15851 1 710 . 1 1 70 70 TRP HD1 H 1 6.880 0.04 . 1 . . . . 64 TRP HD1 . 15851 1 711 . 1 1 70 70 TRP HE3 H 1 6.903 0.04 . 1 . . . . 64 TRP HE3 . 15851 1 712 . 1 1 70 70 TRP C C 13 178.080 0.4 . 1 . . . . 64 TRP C . 15851 1 713 . 1 1 70 70 TRP CA C 13 59.098 0.4 . 1 . . . . 64 TRP CA . 15851 1 714 . 1 1 70 70 TRP CB C 13 30.260 0.4 . 1 . . . . 64 TRP CB . 15851 1 715 . 1 1 70 70 TRP N N 15 120.281 0.4 . 1 . . . . 64 TRP N . 15851 1 716 . 1 1 71 71 LYS H H 1 8.015 0.04 . 1 . . . . 65 LYS H . 15851 1 717 . 1 1 71 71 LYS HA H 1 3.611 0.04 . 1 . . . . 65 LYS HA . 15851 1 718 . 1 1 71 71 LYS HB2 H 1 1.892 0.04 . 2 . . . . 65 LYS HB2 . 15851 1 719 . 1 1 71 71 LYS HB3 H 1 1.862 0.04 . 2 . . . . 65 LYS HB3 . 15851 1 720 . 1 1 71 71 LYS HD2 H 1 1.673 0.04 . 2 . . . . 65 LYS HD2 . 15851 1 721 . 1 1 71 71 LYS HD3 H 1 1.313 0.04 . 2 . . . . 65 LYS HD3 . 15851 1 722 . 1 1 71 71 LYS HE2 H 1 3.015 0.04 . 2 . . . . 65 LYS HE2 . 15851 1 723 . 1 1 71 71 LYS HE3 H 1 2.948 0.04 . 2 . . . . 65 LYS HE3 . 15851 1 724 . 1 1 71 71 LYS HG2 H 1 1.565 0.04 . 2 . . . . 65 LYS HG2 . 15851 1 725 . 1 1 71 71 LYS HG3 H 1 1.323 0.04 . 2 . . . . 65 LYS HG3 . 15851 1 726 . 1 1 71 71 LYS C C 13 179.320 0.4 . 1 . . . . 65 LYS C . 15851 1 727 . 1 1 71 71 LYS CA C 13 59.569 0.4 . 1 . . . . 65 LYS CA . 15851 1 728 . 1 1 71 71 LYS CB C 13 32.216 0.4 . 1 . . . . 65 LYS CB . 15851 1 729 . 1 1 71 71 LYS CD C 13 29.376 0.4 . 1 . . . . 65 LYS CD . 15851 1 730 . 1 1 71 71 LYS CE C 13 42.051 0.4 . 1 . . . . 65 LYS CE . 15851 1 731 . 1 1 71 71 LYS CG C 13 25.243 0.4 . 1 . . . . 65 LYS CG . 15851 1 732 . 1 1 71 71 LYS N N 15 120.117 0.4 . 1 . . . . 65 LYS N . 15851 1 733 . 1 1 72 72 ALA H H 1 7.893 0.04 . 1 . . . . 66 ALA H . 15851 1 734 . 1 1 72 72 ALA HA H 1 3.891 0.04 . 1 . . . . 66 ALA HA . 15851 1 735 . 1 1 72 72 ALA HB1 H 1 1.452 0.04 . 1 . . . . 66 ALA QB . 15851 1 736 . 1 1 72 72 ALA HB2 H 1 1.452 0.04 . 1 . . . . 66 ALA QB . 15851 1 737 . 1 1 72 72 ALA HB3 H 1 1.452 0.04 . 1 . . . . 66 ALA QB . 15851 1 738 . 1 1 72 72 ALA C C 13 180.178 0.4 . 1 . . . . 66 ALA C . 15851 1 739 . 1 1 72 72 ALA CA C 13 54.893 0.4 . 1 . . . . 66 ALA CA . 15851 1 740 . 1 1 72 72 ALA CB C 13 17.791 0.4 . 1 . . . . 66 ALA CB . 15851 1 741 . 1 1 72 72 ALA N N 15 122.797 0.4 . 1 . . . . 66 ALA N . 15851 1 742 . 1 1 73 73 TRP H H 1 8.486 0.04 . 1 . . . . 67 TRP H . 15851 1 743 . 1 1 73 73 TRP HA H 1 4.783 0.04 . 1 . . . . 67 TRP HA . 15851 1 744 . 1 1 73 73 TRP HB2 H 1 3.296 0.04 . 2 . . . . 67 TRP HB2 . 15851 1 745 . 1 1 73 73 TRP HB3 H 1 3.201 0.04 . 2 . . . . 67 TRP HB3 . 15851 1 746 . 1 1 73 73 TRP HD1 H 1 6.538 0.04 . 1 . . . . 67 TRP HD1 . 15851 1 747 . 1 1 73 73 TRP HE3 H 1 6.530 0.04 . 1 . . . . 67 TRP HE3 . 15851 1 748 . 1 1 73 73 TRP C C 13 179.099 0.4 . 1 . . . . 67 TRP C . 15851 1 749 . 1 1 73 73 TRP CA C 13 59.011 0.4 . 1 . . . . 67 TRP CA . 15851 1 750 . 1 1 73 73 TRP CB C 13 28.768 0.4 . 1 . . . . 67 TRP CB . 15851 1 751 . 1 1 73 73 TRP N N 15 122.195 0.4 . 1 . . . . 67 TRP N . 15851 1 752 . 1 1 74 74 LYS H H 1 7.817 0.04 . 1 . . . . 68 LYS H . 15851 1 753 . 1 1 74 74 LYS HA H 1 2.011 0.04 . 1 . . . . 68 LYS HA . 15851 1 754 . 1 1 74 74 LYS HB2 H 1 0.745 0.04 . 2 . . . . 68 LYS HB2 . 15851 1 755 . 1 1 74 74 LYS HB3 H 1 0.948 0.04 . 2 . . . . 68 LYS HB3 . 15851 1 756 . 1 1 74 74 LYS HD2 H 1 0.956 0.04 . 2 . . . . 68 LYS HD2 . 15851 1 757 . 1 1 74 74 LYS HD3 H 1 0.757 0.04 . 2 . . . . 68 LYS HD3 . 15851 1 758 . 1 1 74 74 LYS HE2 H 1 2.540 0.04 . 2 . . . . 68 LYS HE2 . 15851 1 759 . 1 1 74 74 LYS HE3 H 1 2.430 0.04 . 2 . . . . 68 LYS HE3 . 15851 1 760 . 1 1 74 74 LYS HG2 H 1 0.237 0.04 . 2 . . . . 68 LYS HG2 . 15851 1 761 . 1 1 74 74 LYS HG3 H 1 0.071 0.04 . 2 . . . . 68 LYS HG3 . 15851 1 762 . 1 1 74 74 LYS C C 13 176.682 0.4 . 1 . . . . 68 LYS C . 15851 1 763 . 1 1 74 74 LYS CA C 13 57.294 0.4 . 1 . . . . 68 LYS CA . 15851 1 764 . 1 1 74 74 LYS CB C 13 30.557 0.4 . 1 . . . . 68 LYS CB . 15851 1 765 . 1 1 74 74 LYS CD C 13 27.956 0.4 . 1 . . . . 68 LYS CD . 15851 1 766 . 1 1 74 74 LYS CE C 13 40.857 0.4 . 1 . . . . 68 LYS CE . 15851 1 767 . 1 1 74 74 LYS CG C 13 23.923 0.4 . 1 . . . . 68 LYS CG . 15851 1 768 . 1 1 74 74 LYS N N 15 116.508 0.4 . 1 . . . . 68 LYS N . 15851 1 769 . 1 1 75 75 SER H H 1 6.992 0.04 . 1 . . . . 69 SER H . 15851 1 770 . 1 1 75 75 SER HA H 1 4.236 0.04 . 1 . . . . 69 SER HA . 15851 1 771 . 1 1 75 75 SER HB2 H 1 3.829 0.04 . 2 . . . . 69 SER HB2 . 15851 1 772 . 1 1 75 75 SER HB3 H 1 3.782 0.04 . 2 . . . . 69 SER HB3 . 15851 1 773 . 1 1 75 75 SER C C 13 173.413 0.4 . 1 . . . . 69 SER C . 15851 1 774 . 1 1 75 75 SER CA C 13 57.704 0.4 . 1 . . . . 69 SER CA . 15851 1 775 . 1 1 75 75 SER CB C 13 63.865 0.4 . 1 . . . . 69 SER CB . 15851 1 776 . 1 1 75 75 SER N N 15 111.805 0.4 . 1 . . . . 69 SER N . 15851 1 777 . 1 1 76 76 SER H H 1 7.347 0.04 . 1 . . . . 70 SER H . 15851 1 778 . 1 1 76 76 SER HA H 1 4.233 0.04 . 1 . . . . 70 SER HA . 15851 1 779 . 1 1 76 76 SER HB2 H 1 4.079 0.04 . 2 . . . . 70 SER HB2 . 15851 1 780 . 1 1 76 76 SER HB3 H 1 4.032 0.04 . 2 . . . . 70 SER HB3 . 15851 1 781 . 1 1 76 76 SER C C 13 174.949 0.4 . 1 . . . . 70 SER C . 15851 1 782 . 1 1 76 76 SER CA C 13 58.251 0.4 . 1 . . . . 70 SER CA . 15851 1 783 . 1 1 76 76 SER CB C 13 64.835 0.4 . 1 . . . . 70 SER CB . 15851 1 784 . 1 1 76 76 SER N N 15 119.734 0.4 . 1 . . . . 70 SER N . 15851 1 785 . 1 1 77 77 GLU H H 1 8.751 0.04 . 1 . . . . 71 GLU H . 15851 1 786 . 1 1 77 77 GLU HA H 1 4.069 0.04 . 1 . . . . 71 GLU HA . 15851 1 787 . 1 1 77 77 GLU HB2 H 1 2.011 0.04 . 2 . . . . 71 GLU HB2 . 15851 1 788 . 1 1 77 77 GLU HB3 H 1 2.068 0.04 . 2 . . . . 71 GLU HB3 . 15851 1 789 . 1 1 77 77 GLU HG2 H 1 2.449 0.04 . 2 . . . . 71 GLU HG2 . 15851 1 790 . 1 1 77 77 GLU HG3 H 1 2.342 0.04 . 2 . . . . 71 GLU HG3 . 15851 1 791 . 1 1 77 77 GLU C C 13 179.236 0.4 . 1 . . . . 71 GLU C . 15851 1 792 . 1 1 77 77 GLU CA C 13 58.784 0.4 . 1 . . . . 71 GLU CA . 15851 1 793 . 1 1 77 77 GLU CB C 13 29.526 0.4 . 1 . . . . 71 GLU CB . 15851 1 794 . 1 1 77 77 GLU CG C 13 36.564 0.4 . 1 . . . . 71 GLU CG . 15851 1 795 . 1 1 77 77 GLU N N 15 121.703 0.4 . 1 . . . . 71 GLU N . 15851 1 796 . 1 1 78 78 VAL H H 1 7.003 0.04 . 1 . . . . 72 VAL H . 15851 1 797 . 1 1 78 78 VAL HA H 1 1.218 0.04 . 1 . . . . 72 VAL HA . 15851 1 798 . 1 1 78 78 VAL HB H 1 1.583 0.04 . 1 . . . . 72 VAL HB . 15851 1 799 . 1 1 78 78 VAL HG11 H 1 0.177 0.04 . 2 . . . . 72 VAL QG1 . 15851 1 800 . 1 1 78 78 VAL HG12 H 1 0.177 0.04 . 2 . . . . 72 VAL QG1 . 15851 1 801 . 1 1 78 78 VAL HG13 H 1 0.177 0.04 . 2 . . . . 72 VAL QG1 . 15851 1 802 . 1 1 78 78 VAL HG21 H 1 -0.078 0.04 . 2 . . . . 72 VAL QG2 . 15851 1 803 . 1 1 78 78 VAL HG22 H 1 -0.078 0.04 . 2 . . . . 72 VAL QG2 . 15851 1 804 . 1 1 78 78 VAL HG23 H 1 -0.078 0.04 . 2 . . . . 72 VAL QG2 . 15851 1 805 . 1 1 78 78 VAL C C 13 176.393 0.4 . 1 . . . . 72 VAL C . 15851 1 806 . 1 1 78 78 VAL CA C 13 63.438 0.4 . 1 . . . . 72 VAL CA . 15851 1 807 . 1 1 78 78 VAL CB C 13 30.726 0.4 . 1 . . . . 72 VAL CB . 15851 1 808 . 1 1 78 78 VAL CG1 C 13 21.503 0.4 . 2 . . . . 72 VAL CG1 . 15851 1 809 . 1 1 78 78 VAL CG2 C 13 20.909 0.4 . 2 . . . . 72 VAL CG2 . 15851 1 810 . 1 1 78 78 VAL N N 15 118.750 0.4 . 1 . . . . 72 VAL N . 15851 1 811 . 1 1 79 79 TYR H H 1 6.509 0.04 . 1 . . . . 73 TYR H . 15851 1 812 . 1 1 79 79 TYR HA H 1 3.058 0.04 . 1 . . . . 73 TYR HA . 15851 1 813 . 1 1 79 79 TYR HB2 H 1 1.987 0.04 . 2 . . . . 73 TYR HB2 . 15851 1 814 . 1 1 79 79 TYR HB3 H 1 1.254 0.04 . 2 . . . . 73 TYR HB3 . 15851 1 815 . 1 1 79 79 TYR HD1 H 1 6.402 0.04 . 3 . . . . 73 TYR QD . 15851 1 816 . 1 1 79 79 TYR HD2 H 1 6.402 0.04 . 3 . . . . 73 TYR QD . 15851 1 817 . 1 1 79 79 TYR HE1 H 1 6.884 0.04 . 3 . . . . 73 TYR QE . 15851 1 818 . 1 1 79 79 TYR HE2 H 1 6.884 0.04 . 3 . . . . 73 TYR QE . 15851 1 819 . 1 1 79 79 TYR C C 13 175.466 0.4 . 1 . . . . 73 TYR C . 15851 1 820 . 1 1 79 79 TYR CA C 13 60.853 0.4 . 1 . . . . 73 TYR CA . 15851 1 821 . 1 1 79 79 TYR CB C 13 38.135 0.4 . 1 . . . . 73 TYR CB . 15851 1 822 . 1 1 79 79 TYR N N 15 118.805 0.4 . 1 . . . . 73 TYR N . 15851 1 823 . 1 1 80 80 ASN H H 1 6.717 0.04 . 1 . . . . 74 ASN H . 15851 1 824 . 1 1 80 80 ASN HA H 1 4.637 0.04 . 1 . . . . 74 ASN HA . 15851 1 825 . 1 1 80 80 ASN HB2 H 1 3.066 0.04 . 2 . . . . 74 ASN HB2 . 15851 1 826 . 1 1 80 80 ASN HB3 H 1 2.697 0.04 . 2 . . . . 74 ASN HB3 . 15851 1 827 . 1 1 80 80 ASN C C 13 176.032 0.4 . 1 . . . . 74 ASN C . 15851 1 828 . 1 1 80 80 ASN CA C 13 52.945 0.4 . 1 . . . . 74 ASN CA . 15851 1 829 . 1 1 80 80 ASN CB C 13 39.986 0.4 . 1 . . . . 74 ASN CB . 15851 1 830 . 1 1 80 80 ASN N N 15 109.344 0.4 . 1 . . . . 74 ASN N . 15851 1 831 . 1 1 81 81 TRP H H 1 8.183 0.04 . 1 . . . . 75 TRP H . 15851 1 832 . 1 1 81 81 TRP HA H 1 5.228 0.04 . 1 . . . . 75 TRP HA . 15851 1 833 . 1 1 81 81 TRP HB2 H 1 3.244 0.04 . 2 . . . . 75 TRP HB2 . 15851 1 834 . 1 1 81 81 TRP HB3 H 1 3.178 0.04 . 2 . . . . 75 TRP HB3 . 15851 1 835 . 1 1 81 81 TRP HD1 H 1 6.910 0.04 . 1 . . . . 75 TRP HD1 . 15851 1 836 . 1 1 81 81 TRP HE3 H 1 7.117 0.04 . 1 . . . . 75 TRP HE3 . 15851 1 837 . 1 1 81 81 TRP C C 13 179.114 0.4 . 1 . . . . 75 TRP C . 15851 1 838 . 1 1 81 81 TRP CA C 13 55.760 0.4 . 1 . . . . 75 TRP CA . 15851 1 839 . 1 1 81 81 TRP CB C 13 29.953 0.4 . 1 . . . . 75 TRP CB . 15851 1 840 . 1 1 81 81 TRP N N 15 123.016 0.4 . 1 . . . . 75 TRP N . 15851 1 841 . 1 1 82 82 THR H H 1 9.706 0.04 . 1 . . . . 76 THR H . 15851 1 842 . 1 1 82 82 THR HA H 1 4.606 0.04 . 1 . . . . 76 THR HA . 15851 1 843 . 1 1 82 82 THR HB H 1 4.873 0.04 . 1 . . . . 76 THR HB . 15851 1 844 . 1 1 82 82 THR HG21 H 1 1.462 0.04 . 1 . . . . 76 THR QG2 . 15851 1 845 . 1 1 82 82 THR HG22 H 1 1.462 0.04 . 1 . . . . 76 THR QG2 . 15851 1 846 . 1 1 82 82 THR HG23 H 1 1.462 0.04 . 1 . . . . 76 THR QG2 . 15851 1 847 . 1 1 82 82 THR C C 13 175.587 0.4 . 1 . . . . 76 THR C . 15851 1 848 . 1 1 82 82 THR CA C 13 60.336 0.4 . 1 . . . . 76 THR CA . 15851 1 849 . 1 1 82 82 THR CB C 13 71.765 0.4 . 1 . . . . 76 THR CB . 15851 1 850 . 1 1 82 82 THR CG2 C 13 21.743 0.4 . 1 . . . . 76 THR CG2 . 15851 1 851 . 1 1 82 82 THR N N 15 117.383 0.4 . 1 . . . . 76 THR N . 15851 1 852 . 1 1 83 83 VAL H H 1 8.668 0.04 . 1 . . . . 77 VAL H . 15851 1 853 . 1 1 83 83 VAL HA H 1 4.137 0.04 . 1 . . . . 77 VAL HA . 15851 1 854 . 1 1 83 83 VAL HB H 1 2.099 0.04 . 1 . . . . 77 VAL HB . 15851 1 855 . 1 1 83 83 VAL HG11 H 1 0.863 0.04 . 2 . . . . 77 VAL QG1 . 15851 1 856 . 1 1 83 83 VAL HG12 H 1 0.863 0.04 . 2 . . . . 77 VAL QG1 . 15851 1 857 . 1 1 83 83 VAL HG13 H 1 0.863 0.04 . 2 . . . . 77 VAL QG1 . 15851 1 858 . 1 1 83 83 VAL HG21 H 1 1.025 0.04 . 2 . . . . 77 VAL QG2 . 15851 1 859 . 1 1 83 83 VAL HG22 H 1 1.025 0.04 . 2 . . . . 77 VAL QG2 . 15851 1 860 . 1 1 83 83 VAL HG23 H 1 1.025 0.04 . 2 . . . . 77 VAL QG2 . 15851 1 861 . 1 1 83 83 VAL C C 13 178.080 0.4 . 1 . . . . 77 VAL C . 15851 1 862 . 1 1 83 83 VAL CA C 13 65.584 0.4 . 1 . . . . 77 VAL CA . 15851 1 863 . 1 1 83 83 VAL CB C 13 31.904 0.4 . 1 . . . . 77 VAL CB . 15851 1 864 . 1 1 83 83 VAL CG1 C 13 21.854 0.4 . 2 . . . . 77 VAL CG1 . 15851 1 865 . 1 1 83 83 VAL CG2 C 13 20.629 0.4 . 2 . . . . 77 VAL CG2 . 15851 1 866 . 1 1 83 83 VAL N N 15 120.145 0.4 . 1 . . . . 77 VAL N . 15851 1 867 . 1 1 84 84 ASP H H 1 7.983 0.04 . 1 . . . . 78 ASP H . 15851 1 868 . 1 1 84 84 ASP HA H 1 4.281 0.04 . 1 . . . . 78 ASP HA . 15851 1 869 . 1 1 84 84 ASP HB2 H 1 2.600 0.04 . 2 . . . . 78 ASP HB2 . 15851 1 870 . 1 1 84 84 ASP HB3 H 1 2.520 0.04 . 2 . . . . 78 ASP HB3 . 15851 1 871 . 1 1 84 84 ASP CA C 13 57.892 0.4 . 1 . . . . 78 ASP CA . 15851 1 872 . 1 1 84 84 ASP CB C 13 41.032 0.4 . 1 . . . . 78 ASP CB . 15851 1 873 . 1 1 84 84 ASP N N 15 117.274 0.4 . 1 . . . . 78 ASP N . 15851 1 874 . 1 1 85 85 GLU H H 1 7.643 0.04 . 1 . . . . 79 GLU H . 15851 1 875 . 1 1 85 85 GLU HA H 1 3.649 0.04 . 1 . . . . 79 GLU HA . 15851 1 876 . 1 1 85 85 GLU HB2 H 1 2.119 0.04 . 2 . . . . 79 GLU HB2 . 15851 1 877 . 1 1 85 85 GLU HB3 H 1 0.840 0.04 . 2 . . . . 79 GLU HB3 . 15851 1 878 . 1 1 85 85 GLU HG2 H 1 2.124 0.04 . 2 . . . . 79 GLU HG2 . 15851 1 879 . 1 1 85 85 GLU HG3 H 1 1.855 0.04 . 2 . . . . 79 GLU HG3 . 15851 1 880 . 1 1 85 85 GLU C C 13 179.524 0.4 . 1 . . . . 79 GLU C . 15851 1 881 . 1 1 85 85 GLU CA C 13 59.474 0.4 . 1 . . . . 79 GLU CA . 15851 1 882 . 1 1 85 85 GLU CB C 13 28.876 0.4 . 1 . . . . 79 GLU CB . 15851 1 883 . 1 1 85 85 GLU CG C 13 38.399 0.4 . 1 . . . . 79 GLU CG . 15851 1 884 . 1 1 85 85 GLU N N 15 121.047 0.4 . 1 . . . . 79 GLU N . 15851 1 885 . 1 1 86 86 VAL H H 1 8.568 0.04 . 1 . . . . 80 VAL H . 15851 1 886 . 1 1 86 86 VAL HA H 1 3.895 0.04 . 1 . . . . 80 VAL HA . 15851 1 887 . 1 1 86 86 VAL HB H 1 2.662 0.04 . 1 . . . . 80 VAL HB . 15851 1 888 . 1 1 86 86 VAL HG11 H 1 1.111 0.04 . 2 . . . . 80 VAL QG1 . 15851 1 889 . 1 1 86 86 VAL HG12 H 1 1.111 0.04 . 2 . . . . 80 VAL QG1 . 15851 1 890 . 1 1 86 86 VAL HG13 H 1 1.111 0.04 . 2 . . . . 80 VAL QG1 . 15851 1 891 . 1 1 86 86 VAL HG21 H 1 1.261 0.04 . 2 . . . . 80 VAL QG2 . 15851 1 892 . 1 1 86 86 VAL HG22 H 1 1.261 0.04 . 2 . . . . 80 VAL QG2 . 15851 1 893 . 1 1 86 86 VAL HG23 H 1 1.261 0.04 . 2 . . . . 80 VAL QG2 . 15851 1 894 . 1 1 86 86 VAL C C 13 178.536 0.4 . 1 . . . . 80 VAL C . 15851 1 895 . 1 1 86 86 VAL CA C 13 67.371 0.4 . 1 . . . . 80 VAL CA . 15851 1 896 . 1 1 86 86 VAL CB C 13 31.385 0.4 . 1 . . . . 80 VAL CB . 15851 1 897 . 1 1 86 86 VAL CG1 C 13 23.828 0.4 . 2 . . . . 80 VAL CG1 . 15851 1 898 . 1 1 86 86 VAL CG2 C 13 22.360 0.4 . 2 . . . . 80 VAL CG2 . 15851 1 899 . 1 1 86 86 VAL N N 15 124.000 0.4 . 1 . . . . 80 VAL N . 15851 1 900 . 1 1 87 87 VAL H H 1 8.748 0.04 . 1 . . . . 81 VAL H . 15851 1 901 . 1 1 87 87 VAL HA H 1 3.557 0.04 . 1 . . . . 81 VAL HA . 15851 1 902 . 1 1 87 87 VAL HB H 1 2.255 0.04 . 1 . . . . 81 VAL HB . 15851 1 903 . 1 1 87 87 VAL HG11 H 1 1.126 0.04 . 2 . . . . 81 VAL QG1 . 15851 1 904 . 1 1 87 87 VAL HG12 H 1 1.126 0.04 . 2 . . . . 81 VAL QG1 . 15851 1 905 . 1 1 87 87 VAL HG13 H 1 1.126 0.04 . 2 . . . . 81 VAL QG1 . 15851 1 906 . 1 1 87 87 VAL HG21 H 1 0.910 0.04 . 2 . . . . 81 VAL QG2 . 15851 1 907 . 1 1 87 87 VAL HG22 H 1 0.910 0.04 . 2 . . . . 81 VAL QG2 . 15851 1 908 . 1 1 87 87 VAL HG23 H 1 0.910 0.04 . 2 . . . . 81 VAL QG2 . 15851 1 909 . 1 1 87 87 VAL C C 13 177.275 0.4 . 1 . . . . 81 VAL C . 15851 1 910 . 1 1 87 87 VAL CA C 13 67.351 0.4 . 1 . . . . 81 VAL CA . 15851 1 911 . 1 1 87 87 VAL CB C 13 31.035 0.4 . 1 . . . . 81 VAL CB . 15851 1 912 . 1 1 87 87 VAL CG1 C 13 24.549 0.4 . 2 . . . . 81 VAL CG1 . 15851 1 913 . 1 1 87 87 VAL CG2 C 13 22.739 0.4 . 2 . . . . 81 VAL CG2 . 15851 1 914 . 1 1 87 87 VAL N N 15 120.828 0.4 . 1 . . . . 81 VAL N . 15851 1 915 . 1 1 88 88 GLN H H 1 8.065 0.04 . 1 . . . . 82 GLN H . 15851 1 916 . 1 1 88 88 GLN HA H 1 4.006 0.04 . 1 . . . . 82 GLN HA . 15851 1 917 . 1 1 88 88 GLN HB2 H 1 2.016 0.04 . 2 . . . . 82 GLN HB2 . 15851 1 918 . 1 1 88 88 GLN HB3 H 1 2.028 0.04 . 2 . . . . 82 GLN HB3 . 15851 1 919 . 1 1 88 88 GLN HG2 H 1 2.364 0.04 . 2 . . . . 82 GLN HG2 . 15851 1 920 . 1 1 88 88 GLN HG3 H 1 2.334 0.04 . 2 . . . . 82 GLN HG3 . 15851 1 921 . 1 1 88 88 GLN C C 13 178.658 0.4 . 1 . . . . 82 GLN C . 15851 1 922 . 1 1 88 88 GLN CA C 13 59.021 0.4 . 1 . . . . 82 GLN CA . 15851 1 923 . 1 1 88 88 GLN CB C 13 27.983 0.4 . 1 . . . . 82 GLN CB . 15851 1 924 . 1 1 88 88 GLN CG C 13 33.570 0.4 . 1 . . . . 82 GLN CG . 15851 1 925 . 1 1 88 88 GLN N N 15 119.078 0.4 . 1 . . . . 82 GLN N . 15851 1 926 . 1 1 89 89 TRP H H 1 7.827 0.04 . 1 . . . . 83 TRP H . 15851 1 927 . 1 1 89 89 TRP HA H 1 4.385 0.04 . 1 . . . . 83 TRP HA . 15851 1 928 . 1 1 89 89 TRP HB2 H 1 3.969 0.04 . 2 . . . . 83 TRP HB2 . 15851 1 929 . 1 1 89 89 TRP HB3 H 1 3.215 0.04 . 2 . . . . 83 TRP HB3 . 15851 1 930 . 1 1 89 89 TRP HD1 H 1 7.440 0.04 . 1 . . . . 83 TRP HD1 . 15851 1 931 . 1 1 89 89 TRP HE3 H 1 7.430 0.04 . 1 . . . . 83 TRP HE3 . 15851 1 932 . 1 1 89 89 TRP C C 13 177.867 0.4 . 1 . . . . 83 TRP C . 15851 1 933 . 1 1 89 89 TRP CA C 13 61.058 0.4 . 1 . . . . 83 TRP CA . 15851 1 934 . 1 1 89 89 TRP CB C 13 29.372 0.4 . 1 . . . . 83 TRP CB . 15851 1 935 . 1 1 89 89 TRP N N 15 124.164 0.4 . 1 . . . . 83 TRP N . 15851 1 936 . 1 1 90 90 LEU H H 1 9.043 0.04 . 1 . . . . 84 LEU H . 15851 1 937 . 1 1 90 90 LEU HA H 1 3.294 0.04 . 1 . . . . 84 LEU HA . 15851 1 938 . 1 1 90 90 LEU HB2 H 1 1.242 0.04 . 2 . . . . 84 LEU HB2 . 15851 1 939 . 1 1 90 90 LEU HB3 H 1 2.243 0.04 . 2 . . . . 84 LEU HB3 . 15851 1 940 . 1 1 90 90 LEU HD11 H 1 0.424 0.04 . 2 . . . . 84 LEU QD1 . 15851 1 941 . 1 1 90 90 LEU HD12 H 1 0.424 0.04 . 2 . . . . 84 LEU QD1 . 15851 1 942 . 1 1 90 90 LEU HD13 H 1 0.424 0.04 . 2 . . . . 84 LEU QD1 . 15851 1 943 . 1 1 90 90 LEU HD21 H 1 0.015 0.04 . 2 . . . . 84 LEU QD2 . 15851 1 944 . 1 1 90 90 LEU HD22 H 1 0.015 0.04 . 2 . . . . 84 LEU QD2 . 15851 1 945 . 1 1 90 90 LEU HD23 H 1 0.015 0.04 . 2 . . . . 84 LEU QD2 . 15851 1 946 . 1 1 90 90 LEU HG H 1 1.088 0.04 . 1 . . . . 84 LEU HG . 15851 1 947 . 1 1 90 90 LEU C C 13 178.187 0.4 . 1 . . . . 84 LEU C . 15851 1 948 . 1 1 90 90 LEU CA C 13 57.422 0.4 . 1 . . . . 84 LEU CA . 15851 1 949 . 1 1 90 90 LEU CB C 13 41.948 0.4 . 1 . . . . 84 LEU CB . 15851 1 950 . 1 1 90 90 LEU CD1 C 13 22.780 0.4 . 2 . . . . 84 LEU CD1 . 15851 1 951 . 1 1 90 90 LEU CD2 C 13 24.677 0.4 . 2 . . . . 84 LEU CD2 . 15851 1 952 . 1 1 90 90 LEU CG C 13 26.098 0.4 . 1 . . . . 84 LEU CG . 15851 1 953 . 1 1 90 90 LEU N N 15 125.422 0.4 . 1 . . . . 84 LEU N . 15851 1 954 . 1 1 91 91 ILE H H 1 8.373 0.04 . 1 . . . . 85 ILE H . 15851 1 955 . 1 1 91 91 ILE HA H 1 3.213 0.04 . 1 . . . . 85 ILE HA . 15851 1 956 . 1 1 91 91 ILE HB H 1 1.785 0.04 . 1 . . . . 85 ILE HB . 15851 1 957 . 1 1 91 91 ILE HD11 H 1 0.799 0.04 . 1 . . . . 85 ILE QD1 . 15851 1 958 . 1 1 91 91 ILE HD12 H 1 0.799 0.04 . 1 . . . . 85 ILE QD1 . 15851 1 959 . 1 1 91 91 ILE HD13 H 1 0.799 0.04 . 1 . . . . 85 ILE QD1 . 15851 1 960 . 1 1 91 91 ILE HG12 H 1 1.818 0.04 . 2 . . . . 85 ILE HG12 . 15851 1 961 . 1 1 91 91 ILE HG13 H 1 0.825 0.04 . 2 . . . . 85 ILE HG13 . 15851 1 962 . 1 1 91 91 ILE HG21 H 1 0.832 0.04 . 1 . . . . 85 ILE QG2 . 15851 1 963 . 1 1 91 91 ILE HG22 H 1 0.832 0.04 . 1 . . . . 85 ILE QG2 . 15851 1 964 . 1 1 91 91 ILE HG23 H 1 0.832 0.04 . 1 . . . . 85 ILE QG2 . 15851 1 965 . 1 1 91 91 ILE C C 13 177.761 0.4 . 1 . . . . 85 ILE C . 15851 1 966 . 1 1 91 91 ILE CA C 13 66.209 0.4 . 1 . . . . 85 ILE CA . 15851 1 967 . 1 1 91 91 ILE CB C 13 39.178 0.4 . 1 . . . . 85 ILE CB . 15851 1 968 . 1 1 91 91 ILE CD1 C 13 14.374 0.4 . 1 . . . . 85 ILE CD1 . 15851 1 969 . 1 1 91 91 ILE CG1 C 13 28.961 0.4 . 1 . . . . 85 ILE CG1 . 15851 1 970 . 1 1 91 91 ILE CG2 C 13 17.008 0.4 . 1 . . . . 85 ILE CG2 . 15851 1 971 . 1 1 91 91 ILE N N 15 117.820 0.4 . 1 . . . . 85 ILE N . 15851 1 972 . 1 1 92 92 THR H H 1 8.519 0.04 . 1 . . . . 86 THR H . 15851 1 973 . 1 1 92 92 THR HA H 1 4.076 0.04 . 1 . . . . 86 THR HA . 15851 1 974 . 1 1 92 92 THR HB H 1 4.064 0.04 . 1 . . . . 86 THR HB . 15851 1 975 . 1 1 92 92 THR HG21 H 1 1.061 0.04 . 1 . . . . 86 THR QG2 . 15851 1 976 . 1 1 92 92 THR HG22 H 1 1.061 0.04 . 1 . . . . 86 THR QG2 . 15851 1 977 . 1 1 92 92 THR HG23 H 1 1.061 0.04 . 1 . . . . 86 THR QG2 . 15851 1 978 . 1 1 92 92 THR C C 13 174.604 0.4 . 1 . . . . 86 THR C . 15851 1 979 . 1 1 92 92 THR CA C 13 64.848 0.4 . 1 . . . . 86 THR CA . 15851 1 980 . 1 1 92 92 THR CB C 13 70.075 0.4 . 1 . . . . 86 THR CB . 15851 1 981 . 1 1 92 92 THR CG2 C 13 21.481 0.4 . 1 . . . . 86 THR CG2 . 15851 1 982 . 1 1 92 92 THR N N 15 111.094 0.4 . 1 . . . . 86 THR N . 15851 1 983 . 1 1 93 93 TYR H H 1 8.372 0.04 . 1 . . . . 87 TYR H . 15851 1 984 . 1 1 93 93 TYR HA H 1 4.627 0.04 . 1 . . . . 87 TYR HA . 15851 1 985 . 1 1 93 93 TYR HB2 H 1 2.933 0.04 . 2 . . . . 87 TYR HB2 . 15851 1 986 . 1 1 93 93 TYR HB3 H 1 2.760 0.04 . 2 . . . . 87 TYR HB3 . 15851 1 987 . 1 1 93 93 TYR HD1 H 1 7.123 0.04 . 3 . . . . 87 TYR HD1 . 15851 1 988 . 1 1 93 93 TYR HD2 H 1 7.098 0.04 . 3 . . . . 87 TYR HD2 . 15851 1 989 . 1 1 93 93 TYR HE1 H 1 7.013 0.04 . 3 . . . . 87 TYR QE . 15851 1 990 . 1 1 93 93 TYR HE2 H 1 7.013 0.04 . 3 . . . . 87 TYR QE . 15851 1 991 . 1 1 93 93 TYR C C 13 176.530 0.4 . 1 . . . . 87 TYR C . 15851 1 992 . 1 1 93 93 TYR CA C 13 59.650 0.4 . 1 . . . . 87 TYR CA . 15851 1 993 . 1 1 93 93 TYR CB C 13 38.898 0.4 . 1 . . . . 87 TYR CB . 15851 1 994 . 1 1 93 93 TYR N N 15 122.141 0.4 . 1 . . . . 87 TYR N . 15851 1 995 . 1 1 94 94 VAL H H 1 7.462 0.04 . 1 . . . . 88 VAL H . 15851 1 996 . 1 1 94 94 VAL HA H 1 3.133 0.04 . 1 . . . . 88 VAL HA . 15851 1 997 . 1 1 94 94 VAL HB H 1 2.188 0.04 . 1 . . . . 88 VAL HB . 15851 1 998 . 1 1 94 94 VAL HG11 H 1 0.686 0.04 . 2 . . . . 88 VAL QG1 . 15851 1 999 . 1 1 94 94 VAL HG12 H 1 0.686 0.04 . 2 . . . . 88 VAL QG1 . 15851 1 1000 . 1 1 94 94 VAL HG13 H 1 0.686 0.04 . 2 . . . . 88 VAL QG1 . 15851 1 1001 . 1 1 94 94 VAL HG21 H 1 -0.400 0.04 . 2 . . . . 88 VAL QG2 . 15851 1 1002 . 1 1 94 94 VAL HG22 H 1 -0.400 0.04 . 2 . . . . 88 VAL QG2 . 15851 1 1003 . 1 1 94 94 VAL HG23 H 1 -0.400 0.04 . 2 . . . . 88 VAL QG2 . 15851 1 1004 . 1 1 94 94 VAL C C 13 174.614 0.4 . 1 . . . . 88 VAL C . 15851 1 1005 . 1 1 94 94 VAL CA C 13 63.843 0.4 . 1 . . . . 88 VAL CA . 15851 1 1006 . 1 1 94 94 VAL CB C 13 29.752 0.4 . 1 . . . . 88 VAL CB . 15851 1 1007 . 1 1 94 94 VAL CG1 C 13 22.651 0.4 . 2 . . . . 88 VAL CG1 . 15851 1 1008 . 1 1 94 94 VAL CG2 C 13 20.979 0.4 . 2 . . . . 88 VAL CG2 . 15851 1 1009 . 1 1 94 94 VAL N N 15 118.367 0.4 . 1 . . . . 88 VAL N . 15851 1 1010 . 1 1 95 95 GLU H H 1 6.610 0.04 . 1 . . . . 89 GLU H . 15851 1 1011 . 1 1 95 95 GLU HA H 1 3.896 0.04 . 1 . . . . 89 GLU HA . 15851 1 1012 . 1 1 95 95 GLU HB2 H 1 2.136 0.04 . 2 . . . . 89 GLU HB2 . 15851 1 1013 . 1 1 95 95 GLU HB3 H 1 1.980 0.04 . 2 . . . . 89 GLU HB3 . 15851 1 1014 . 1 1 95 95 GLU HG2 H 1 1.881 0.04 . 2 . . . . 89 GLU HG2 . 15851 1 1015 . 1 1 95 95 GLU HG3 H 1 1.719 0.04 . 2 . . . . 89 GLU HG3 . 15851 1 1016 . 1 1 95 95 GLU C C 13 175.922 0.4 . 1 . . . . 89 GLU C . 15851 1 1017 . 1 1 95 95 GLU CA C 13 56.060 0.4 . 1 . . . . 89 GLU CA . 15851 1 1018 . 1 1 95 95 GLU CB C 13 26.928 0.4 . 1 . . . . 89 GLU CB . 15851 1 1019 . 1 1 95 95 GLU CG C 13 37.042 0.4 . 1 . . . . 89 GLU CG . 15851 1 1020 . 1 1 95 95 GLU N N 15 109.781 0.4 . 1 . . . . 89 GLU N . 15851 1 1021 . 1 1 96 96 LEU H H 1 7.182 0.04 . 1 . . . . 90 LEU H . 15851 1 1022 . 1 1 96 96 LEU HA H 1 4.999 0.04 . 1 . . . . 90 LEU HA . 15851 1 1023 . 1 1 96 96 LEU HB2 H 1 1.344 0.04 . 2 . . . . 90 LEU HB2 . 15851 1 1024 . 1 1 96 96 LEU HB3 H 1 1.444 0.04 . 2 . . . . 90 LEU HB3 . 15851 1 1025 . 1 1 96 96 LEU HD11 H 1 0.684 0.04 . 2 . . . . 90 LEU QD1 . 15851 1 1026 . 1 1 96 96 LEU HD12 H 1 0.684 0.04 . 2 . . . . 90 LEU QD1 . 15851 1 1027 . 1 1 96 96 LEU HD13 H 1 0.684 0.04 . 2 . . . . 90 LEU QD1 . 15851 1 1028 . 1 1 96 96 LEU HD21 H 1 0.439 0.04 . 2 . . . . 90 LEU QD2 . 15851 1 1029 . 1 1 96 96 LEU HD22 H 1 0.439 0.04 . 2 . . . . 90 LEU QD2 . 15851 1 1030 . 1 1 96 96 LEU HD23 H 1 0.439 0.04 . 2 . . . . 90 LEU QD2 . 15851 1 1031 . 1 1 96 96 LEU HG H 1 1.333 0.04 . 1 . . . . 90 LEU HG . 15851 1 1032 . 1 1 96 96 LEU CA C 13 51.971 0.4 . 1 . . . . 90 LEU CA . 15851 1 1033 . 1 1 96 96 LEU CB C 13 43.252 0.4 . 1 . . . . 90 LEU CB . 15851 1 1034 . 1 1 96 96 LEU CD1 C 13 26.692 0.4 . 2 . . . . 90 LEU CD1 . 15851 1 1035 . 1 1 96 96 LEU CD2 C 13 22.336 0.4 . 2 . . . . 90 LEU CD2 . 15851 1 1036 . 1 1 96 96 LEU CG C 13 25.199 0.4 . 1 . . . . 90 LEU CG . 15851 1 1037 . 1 1 96 96 LEU N N 15 117.055 0.4 . 1 . . . . 90 LEU N . 15851 1 1038 . 1 1 97 97 PRO HA H 1 3.899 0.04 . 1 . . . . 91 PRO HA . 15851 1 1039 . 1 1 97 97 PRO HB2 H 1 2.033 0.04 . 2 . . . . 91 PRO HB2 . 15851 1 1040 . 1 1 97 97 PRO HB3 H 1 2.145 0.04 . 2 . . . . 91 PRO HB3 . 15851 1 1041 . 1 1 97 97 PRO HD2 H 1 3.182 0.04 . 2 . . . . 91 PRO HD2 . 15851 1 1042 . 1 1 97 97 PRO HD3 H 1 3.702 0.04 . 2 . . . . 91 PRO HD3 . 15851 1 1043 . 1 1 97 97 PRO HG2 H 1 1.990 0.04 . 2 . . . . 91 PRO HG2 . 15851 1 1044 . 1 1 97 97 PRO HG3 H 1 1.893 0.04 . 2 . . . . 91 PRO HG3 . 15851 1 1045 . 1 1 97 97 PRO C C 13 178.111 0.4 . 1 . . . . 91 PRO C . 15851 1 1046 . 1 1 97 97 PRO CA C 13 64.240 0.4 . 1 . . . . 91 PRO CA . 15851 1 1047 . 1 1 97 97 PRO CB C 13 32.791 0.4 . 1 . . . . 91 PRO CB . 15851 1 1048 . 1 1 97 97 PRO CD C 13 50.659 0.4 . 1 . . . . 91 PRO CD . 15851 1 1049 . 1 1 97 97 PRO CG C 13 27.158 0.4 . 1 . . . . 91 PRO CG . 15851 1 1050 . 1 1 98 98 GLN H H 1 9.919 0.04 . 1 . . . . 92 GLN H . 15851 1 1051 . 1 1 98 98 GLN HA H 1 4.250 0.04 . 1 . . . . 92 GLN HA . 15851 1 1052 . 1 1 98 98 GLN HB2 H 1 1.882 0.04 . 2 . . . . 92 GLN HB2 . 15851 1 1053 . 1 1 98 98 GLN HB3 H 1 1.765 0.04 . 2 . . . . 92 GLN HB3 . 15851 1 1054 . 1 1 98 98 GLN HG2 H 1 1.878 0.04 . 2 . . . . 92 GLN HG2 . 15851 1 1055 . 1 1 98 98 GLN HG3 H 1 1.244 0.04 . 2 . . . . 92 GLN HG3 . 15851 1 1056 . 1 1 98 98 GLN C C 13 176.955 0.4 . 1 . . . . 92 GLN C . 15851 1 1057 . 1 1 98 98 GLN CA C 13 57.616 0.4 . 1 . . . . 92 GLN CA . 15851 1 1058 . 1 1 98 98 GLN CB C 13 27.049 0.4 . 1 . . . . 92 GLN CB . 15851 1 1059 . 1 1 98 98 GLN CG C 13 32.256 0.4 . 1 . . . . 92 GLN CG . 15851 1 1060 . 1 1 98 98 GLN N N 15 120.172 0.4 . 1 . . . . 92 GLN N . 15851 1 1061 . 1 1 99 99 TYR H H 1 7.166 0.04 . 1 . . . . 93 TYR H . 15851 1 1062 . 1 1 99 99 TYR HA H 1 4.939 0.04 . 1 . . . . 93 TYR HA . 15851 1 1063 . 1 1 99 99 TYR HB2 H 1 3.613 0.04 . 2 . . . . 93 TYR HB2 . 15851 1 1064 . 1 1 99 99 TYR HB3 H 1 2.579 0.04 . 2 . . . . 93 TYR HB3 . 15851 1 1065 . 1 1 99 99 TYR HD1 H 1 7.285 0.04 . 3 . . . . 93 TYR HD1 . 15851 1 1066 . 1 1 99 99 TYR HD2 H 1 7.261 0.04 . 3 . . . . 93 TYR HD2 . 15851 1 1067 . 1 1 99 99 TYR HE1 H 1 6.602 0.04 . 3 . . . . 93 TYR HE1 . 15851 1 1068 . 1 1 99 99 TYR HE2 H 1 6.564 0.04 . 3 . . . . 93 TYR HE2 . 15851 1 1069 . 1 1 99 99 TYR C C 13 174.375 0.4 . 1 . . . . 93 TYR C . 15851 1 1070 . 1 1 99 99 TYR CA C 13 58.468 0.4 . 1 . . . . 93 TYR CA . 15851 1 1071 . 1 1 99 99 TYR CB C 13 37.745 0.4 . 1 . . . . 93 TYR CB . 15851 1 1072 . 1 1 99 99 TYR N N 15 117.875 0.4 . 1 . . . . 93 TYR N . 15851 1 1073 . 1 1 100 100 GLU H H 1 7.809 0.04 . 1 . . . . 94 GLU H . 15851 1 1074 . 1 1 100 100 GLU HA H 1 3.577 0.04 . 1 . . . . 94 GLU HA . 15851 1 1075 . 1 1 100 100 GLU HB2 H 1 2.072 0.04 . 2 . . . . 94 GLU HB2 . 15851 1 1076 . 1 1 100 100 GLU HB3 H 1 1.981 0.04 . 2 . . . . 94 GLU HB3 . 15851 1 1077 . 1 1 100 100 GLU HG2 H 1 2.258 0.04 . 2 . . . . 94 GLU HG2 . 15851 1 1078 . 1 1 100 100 GLU HG3 H 1 2.203 0.04 . 2 . . . . 94 GLU HG3 . 15851 1 1079 . 1 1 100 100 GLU C C 13 176.834 0.4 . 1 . . . . 94 GLU C . 15851 1 1080 . 1 1 100 100 GLU CA C 13 60.888 0.4 . 1 . . . . 94 GLU CA . 15851 1 1081 . 1 1 100 100 GLU CB C 13 28.307 0.4 . 1 . . . . 94 GLU CB . 15851 1 1082 . 1 1 100 100 GLU CG C 13 35.829 0.4 . 1 . . . . 94 GLU CG . 15851 1 1083 . 1 1 100 100 GLU N N 15 122.961 0.4 . 1 . . . . 94 GLU N . 15851 1 1084 . 1 1 101 101 GLU H H 1 8.981 0.04 . 1 . . . . 95 GLU H . 15851 1 1085 . 1 1 101 101 GLU HA H 1 4.029 0.04 . 1 . . . . 95 GLU HA . 15851 1 1086 . 1 1 101 101 GLU HB2 H 1 2.033 0.04 . 2 . . . . 95 GLU HB2 . 15851 1 1087 . 1 1 101 101 GLU HB3 H 1 2.165 0.04 . 2 . . . . 95 GLU HB3 . 15851 1 1088 . 1 1 101 101 GLU HG2 H 1 2.362 0.04 . 2 . . . . 95 GLU HG2 . 15851 1 1089 . 1 1 101 101 GLU HG3 H 1 2.249 0.04 . 2 . . . . 95 GLU HG3 . 15851 1 1090 . 1 1 101 101 GLU C C 13 178.992 0.4 . 1 . . . . 95 GLU C . 15851 1 1091 . 1 1 101 101 GLU CA C 13 60.332 0.4 . 1 . . . . 95 GLU CA . 15851 1 1092 . 1 1 101 101 GLU CB C 13 28.825 0.4 . 1 . . . . 95 GLU CB . 15851 1 1093 . 1 1 101 101 GLU CG C 13 36.351 0.4 . 1 . . . . 95 GLU CG . 15851 1 1094 . 1 1 101 101 GLU N N 15 118.094 0.4 . 1 . . . . 95 GLU N . 15851 1 1095 . 1 1 102 102 THR H H 1 8.035 0.04 . 1 . . . . 96 THR H . 15851 1 1096 . 1 1 102 102 THR HA H 1 4.078 0.04 . 1 . . . . 96 THR HA . 15851 1 1097 . 1 1 102 102 THR HB H 1 4.562 0.04 . 1 . . . . 96 THR HB . 15851 1 1098 . 1 1 102 102 THR HG21 H 1 1.454 0.04 . 1 . . . . 96 THR QG2 . 15851 1 1099 . 1 1 102 102 THR HG22 H 1 1.454 0.04 . 1 . . . . 96 THR QG2 . 15851 1 1100 . 1 1 102 102 THR HG23 H 1 1.454 0.04 . 1 . . . . 96 THR QG2 . 15851 1 1101 . 1 1 102 102 THR C C 13 175.496 0.4 . 1 . . . . 96 THR C . 15851 1 1102 . 1 1 102 102 THR CA C 13 66.625 0.4 . 1 . . . . 96 THR CA . 15851 1 1103 . 1 1 102 102 THR CB C 13 68.796 0.4 . 1 . . . . 96 THR CB . 15851 1 1104 . 1 1 102 102 THR CG2 C 13 22.504 0.4 . 1 . . . . 96 THR CG2 . 15851 1 1105 . 1 1 102 102 THR N N 15 116.945 0.4 . 1 . . . . 96 THR N . 15851 1 1106 . 1 1 103 103 PHE H H 1 8.532 0.04 . 1 . . . . 97 PHE H . 15851 1 1107 . 1 1 103 103 PHE HA H 1 3.983 0.04 . 1 . . . . 97 PHE HA . 15851 1 1108 . 1 1 103 103 PHE HB2 H 1 3.484 0.04 . 2 . . . . 97 PHE HB2 . 15851 1 1109 . 1 1 103 103 PHE HB3 H 1 3.158 0.04 . 2 . . . . 97 PHE HB3 . 15851 1 1110 . 1 1 103 103 PHE HD1 H 1 7.490 0.04 . 3 . . . . 97 PHE QD . 15851 1 1111 . 1 1 103 103 PHE HD2 H 1 7.490 0.04 . 3 . . . . 97 PHE QD . 15851 1 1112 . 1 1 103 103 PHE HE1 H 1 6.797 0.04 . 3 . . . . 97 PHE QE . 15851 1 1113 . 1 1 103 103 PHE HE2 H 1 6.797 0.04 . 3 . . . . 97 PHE QE . 15851 1 1114 . 1 1 103 103 PHE C C 13 178.202 0.4 . 1 . . . . 97 PHE C . 15851 1 1115 . 1 1 103 103 PHE CA C 13 62.290 0.4 . 1 . . . . 97 PHE CA . 15851 1 1116 . 1 1 103 103 PHE CB C 13 38.251 0.4 . 1 . . . . 97 PHE CB . 15851 1 1117 . 1 1 103 103 PHE N N 15 123.125 0.4 . 1 . . . . 97 PHE N . 15851 1 1118 . 1 1 104 104 ARG H H 1 8.510 0.04 . 1 . . . . 98 ARG H . 15851 1 1119 . 1 1 104 104 ARG HA H 1 4.030 0.04 . 1 . . . . 98 ARG HA . 15851 1 1120 . 1 1 104 104 ARG HB2 H 1 1.999 0.04 . 2 . . . . 98 ARG HB2 . 15851 1 1121 . 1 1 104 104 ARG HB3 H 1 1.545 0.04 . 2 . . . . 98 ARG HB3 . 15851 1 1122 . 1 1 104 104 ARG HD2 H 1 3.258 0.04 . 2 . . . . 98 ARG HD2 . 15851 1 1123 . 1 1 104 104 ARG HD3 H 1 3.194 0.04 . 2 . . . . 98 ARG HD3 . 15851 1 1124 . 1 1 104 104 ARG HG2 H 1 1.794 0.04 . 2 . . . . 98 ARG HG2 . 15851 1 1125 . 1 1 104 104 ARG HG3 H 1 1.932 0.04 . 2 . . . . 98 ARG HG3 . 15851 1 1126 . 1 1 104 104 ARG C C 13 180.209 0.4 . 1 . . . . 98 ARG C . 15851 1 1127 . 1 1 104 104 ARG CA C 13 59.950 0.4 . 1 . . . . 98 ARG CA . 15851 1 1128 . 1 1 104 104 ARG CB C 13 29.567 0.4 . 1 . . . . 98 ARG CB . 15851 1 1129 . 1 1 104 104 ARG CD C 13 42.660 0.4 . 1 . . . . 98 ARG CD . 15851 1 1130 . 1 1 104 104 ARG CG C 13 29.535 0.4 . 1 . . . . 98 ARG CG . 15851 1 1131 . 1 1 104 104 ARG N N 15 115.961 0.4 . 1 . . . . 98 ARG N . 15851 1 1132 . 1 1 105 105 LYS H H 1 8.642 0.04 . 1 . . . . 99 LYS H . 15851 1 1133 . 1 1 105 105 LYS HA H 1 4.111 0.04 . 1 . . . . 99 LYS HA . 15851 1 1134 . 1 1 105 105 LYS HB2 H 1 2.077 0.04 . 2 . . . . 99 LYS HB2 . 15851 1 1135 . 1 1 105 105 LYS HB3 H 1 2.005 0.04 . 2 . . . . 99 LYS HB3 . 15851 1 1136 . 1 1 105 105 LYS HD2 H 1 2.062 0.04 . 2 . . . . 99 LYS HD2 . 15851 1 1137 . 1 1 105 105 LYS HD3 H 1 2.013 0.04 . 2 . . . . 99 LYS HD3 . 15851 1 1138 . 1 1 105 105 LYS HE2 H 1 3.013 0.04 . 2 . . . . 99 LYS HE2 . 15851 1 1139 . 1 1 105 105 LYS HE3 H 1 2.958 0.04 . 2 . . . . 99 LYS HE3 . 15851 1 1140 . 1 1 105 105 LYS HG2 H 1 1.627 0.04 . 2 . . . . 99 LYS HG2 . 15851 1 1141 . 1 1 105 105 LYS HG3 H 1 1.537 0.04 . 2 . . . . 99 LYS HG3 . 15851 1 1142 . 1 1 105 105 LYS C C 13 179.053 0.4 . 1 . . . . 99 LYS C . 15851 1 1143 . 1 1 105 105 LYS CA C 13 59.381 0.4 . 1 . . . . 99 LYS CA . 15851 1 1144 . 1 1 105 105 LYS CB C 13 32.141 0.4 . 1 . . . . 99 LYS CB . 15851 1 1145 . 1 1 105 105 LYS CD C 13 29.414 0.4 . 1 . . . . 99 LYS CD . 15851 1 1146 . 1 1 105 105 LYS CE C 13 42.014 0.4 . 1 . . . . 99 LYS CE . 15851 1 1147 . 1 1 105 105 LYS CG C 13 25.269 0.4 . 1 . . . . 99 LYS CG . 15851 1 1148 . 1 1 105 105 LYS N N 15 122.770 0.4 . 1 . . . . 99 LYS N . 15851 1 1149 . 1 1 106 106 LEU H H 1 7.841 0.04 . 1 . . . . 100 LEU H . 15851 1 1150 . 1 1 106 106 LEU HA H 1 4.177 0.04 . 1 . . . . 100 LEU HA . 15851 1 1151 . 1 1 106 106 LEU HB2 H 1 1.745 0.04 . 2 . . . . 100 LEU HB2 . 15851 1 1152 . 1 1 106 106 LEU HB3 H 1 1.492 0.04 . 2 . . . . 100 LEU HB3 . 15851 1 1153 . 1 1 106 106 LEU HD11 H 1 0.831 0.04 . 2 . . . . 100 LEU QD1 . 15851 1 1154 . 1 1 106 106 LEU HD12 H 1 0.831 0.04 . 2 . . . . 100 LEU QD1 . 15851 1 1155 . 1 1 106 106 LEU HD13 H 1 0.831 0.04 . 2 . . . . 100 LEU QD1 . 15851 1 1156 . 1 1 106 106 LEU HD21 H 1 0.740 0.04 . 2 . . . . 100 LEU QD2 . 15851 1 1157 . 1 1 106 106 LEU HD22 H 1 0.740 0.04 . 2 . . . . 100 LEU QD2 . 15851 1 1158 . 1 1 106 106 LEU HD23 H 1 0.740 0.04 . 2 . . . . 100 LEU QD2 . 15851 1 1159 . 1 1 106 106 LEU HG H 1 1.858 0.04 . 1 . . . . 100 LEU HG . 15851 1 1160 . 1 1 106 106 LEU C C 13 175.724 0.4 . 1 . . . . 100 LEU C . 15851 1 1161 . 1 1 106 106 LEU CA C 13 54.936 0.4 . 1 . . . . 100 LEU CA . 15851 1 1162 . 1 1 106 106 LEU CB C 13 42.548 0.4 . 1 . . . . 100 LEU CB . 15851 1 1163 . 1 1 106 106 LEU CD1 C 13 22.183 0.4 . 2 . . . . 100 LEU CD1 . 15851 1 1164 . 1 1 106 106 LEU CD2 C 13 26.632 0.4 . 2 . . . . 100 LEU CD2 . 15851 1 1165 . 1 1 106 106 LEU CG C 13 26.885 0.4 . 1 . . . . 100 LEU CG . 15851 1 1166 . 1 1 106 106 LEU N N 15 116.781 0.4 . 1 . . . . 100 LEU N . 15851 1 1167 . 1 1 107 107 GLN H H 1 7.837 0.04 . 1 . . . . 101 GLN H . 15851 1 1168 . 1 1 107 107 GLN HA H 1 3.646 0.04 . 1 . . . . 101 GLN HA . 15851 1 1169 . 1 1 107 107 GLN HB2 H 1 2.327 0.04 . 2 . . . . 101 GLN HB2 . 15851 1 1170 . 1 1 107 107 GLN HB3 H 1 2.086 0.04 . 2 . . . . 101 GLN HB3 . 15851 1 1171 . 1 1 107 107 GLN HG2 H 1 2.369 0.04 . 2 . . . . 101 GLN HG2 . 15851 1 1172 . 1 1 107 107 GLN HG3 H 1 2.333 0.04 . 2 . . . . 101 GLN HG3 . 15851 1 1173 . 1 1 107 107 GLN C C 13 175.070 0.4 . 1 . . . . 101 GLN C . 15851 1 1174 . 1 1 107 107 GLN CA C 13 56.066 0.4 . 1 . . . . 101 GLN CA . 15851 1 1175 . 1 1 107 107 GLN CB C 13 26.042 0.4 . 1 . . . . 101 GLN CB . 15851 1 1176 . 1 1 107 107 GLN CG C 13 33.667 0.4 . 1 . . . . 101 GLN CG . 15851 1 1177 . 1 1 107 107 GLN N N 15 115.633 0.4 . 1 . . . . 101 GLN N . 15851 1 1178 . 1 1 108 108 LEU H H 1 7.459 0.04 . 1 . . . . 102 LEU H . 15851 1 1179 . 1 1 108 108 LEU HA H 1 4.072 0.04 . 1 . . . . 102 LEU HA . 15851 1 1180 . 1 1 108 108 LEU HB2 H 1 1.641 0.04 . 2 . . . . 102 LEU HB2 . 15851 1 1181 . 1 1 108 108 LEU HB3 H 1 1.089 0.04 . 2 . . . . 102 LEU HB3 . 15851 1 1182 . 1 1 108 108 LEU HD11 H 1 0.559 0.04 . 2 . . . . 102 LEU QD1 . 15851 1 1183 . 1 1 108 108 LEU HD12 H 1 0.559 0.04 . 2 . . . . 102 LEU QD1 . 15851 1 1184 . 1 1 108 108 LEU HD13 H 1 0.559 0.04 . 2 . . . . 102 LEU QD1 . 15851 1 1185 . 1 1 108 108 LEU HD21 H 1 0.071 0.04 . 2 . . . . 102 LEU QD2 . 15851 1 1186 . 1 1 108 108 LEU HD22 H 1 0.071 0.04 . 2 . . . . 102 LEU QD2 . 15851 1 1187 . 1 1 108 108 LEU HD23 H 1 0.071 0.04 . 2 . . . . 102 LEU QD2 . 15851 1 1188 . 1 1 108 108 LEU HG H 1 1.443 0.04 . 1 . . . . 102 LEU HG . 15851 1 1189 . 1 1 108 108 LEU C C 13 172.942 0.4 . 1 . . . . 102 LEU C . 15851 1 1190 . 1 1 108 108 LEU CA C 13 55.815 0.4 . 1 . . . . 102 LEU CA . 15851 1 1191 . 1 1 108 108 LEU CB C 13 40.865 0.4 . 1 . . . . 102 LEU CB . 15851 1 1192 . 1 1 108 108 LEU CD1 C 13 22.934 0.4 . 2 . . . . 102 LEU CD1 . 15851 1 1193 . 1 1 108 108 LEU CD2 C 13 25.130 0.4 . 2 . . . . 102 LEU CD2 . 15851 1 1194 . 1 1 108 108 LEU CG C 13 26.638 0.4 . 1 . . . . 102 LEU CG . 15851 1 1195 . 1 1 108 108 LEU N N 15 119.406 0.4 . 1 . . . . 102 LEU N . 15851 1 1196 . 1 1 109 109 SER H H 1 7.669 0.04 . 1 . . . . 103 SER H . 15851 1 1197 . 1 1 109 109 SER HA H 1 4.472 0.04 . 1 . . . . 103 SER HA . 15851 1 1198 . 1 1 109 109 SER HB2 H 1 4.218 0.04 . 2 . . . . 103 SER HB2 . 15851 1 1199 . 1 1 109 109 SER HB3 H 1 3.807 0.04 . 2 . . . . 103 SER HB3 . 15851 1 1200 . 1 1 109 109 SER C C 13 175.466 0.4 . 1 . . . . 103 SER C . 15851 1 1201 . 1 1 109 109 SER CA C 13 56.211 0.4 . 1 . . . . 103 SER CA . 15851 1 1202 . 1 1 109 109 SER CB C 13 65.605 0.4 . 1 . . . . 103 SER CB . 15851 1 1203 . 1 1 109 109 SER N N 15 117.656 0.4 . 1 . . . . 103 SER N . 15851 1 1204 . 1 1 110 110 GLY H H 1 8.660 0.04 . 1 . . . . 104 GLY H . 15851 1 1205 . 1 1 110 110 GLY HA2 H 1 4.358 0.04 . 2 . . . . 104 GLY HA2 . 15851 1 1206 . 1 1 110 110 GLY HA3 H 1 3.505 0.04 . 2 . . . . 104 GLY HA3 . 15851 1 1207 . 1 1 110 110 GLY C C 13 175.557 0.4 . 1 . . . . 104 GLY C . 15851 1 1208 . 1 1 110 110 GLY CA C 13 48.369 0.4 . 1 . . . . 104 GLY CA . 15851 1 1209 . 1 1 110 110 GLY N N 15 107.320 0.4 . 1 . . . . 104 GLY N . 15851 1 1210 . 1 1 111 111 HIS H H 1 7.475 0.04 . 1 . . . . 105 HIS H . 15851 1 1211 . 1 1 111 111 HIS HA H 1 4.504 0.04 . 1 . . . . 105 HIS HA . 15851 1 1212 . 1 1 111 111 HIS HB2 H 1 3.200 0.04 . 2 . . . . 105 HIS HB2 . 15851 1 1213 . 1 1 111 111 HIS HB3 H 1 2.983 0.04 . 2 . . . . 105 HIS HB3 . 15851 1 1214 . 1 1 111 111 HIS HD2 H 1 6.714 0.04 . 1 . . . . 105 HIS HD2 . 15851 1 1215 . 1 1 111 111 HIS C C 13 177.016 0.4 . 1 . . . . 105 HIS C . 15851 1 1216 . 1 1 111 111 HIS CA C 13 57.084 0.4 . 1 . . . . 105 HIS CA . 15851 1 1217 . 1 1 111 111 HIS CB C 13 30.080 0.4 . 1 . . . . 105 HIS CB . 15851 1 1218 . 1 1 111 111 HIS N N 15 114.266 0.4 . 1 . . . . 105 HIS N . 15851 1 1219 . 1 1 112 112 ALA H H 1 7.781 0.04 . 1 . . . . 106 ALA H . 15851 1 1220 . 1 1 112 112 ALA HA H 1 4.382 0.04 . 1 . . . . 106 ALA HA . 15851 1 1221 . 1 1 112 112 ALA HB1 H 1 1.472 0.04 . 1 . . . . 106 ALA QB . 15851 1 1222 . 1 1 112 112 ALA HB2 H 1 1.472 0.04 . 1 . . . . 106 ALA QB . 15851 1 1223 . 1 1 112 112 ALA HB3 H 1 1.472 0.04 . 1 . . . . 106 ALA QB . 15851 1 1224 . 1 1 112 112 ALA C C 13 178.369 0.4 . 1 . . . . 106 ALA C . 15851 1 1225 . 1 1 112 112 ALA CA C 13 52.662 0.4 . 1 . . . . 106 ALA CA . 15851 1 1226 . 1 1 112 112 ALA CB C 13 19.766 0.4 . 1 . . . . 106 ALA CB . 15851 1 1227 . 1 1 112 112 ALA N N 15 119.270 0.4 . 1 . . . . 106 ALA N . 15851 1 1228 . 1 1 113 113 MET H H 1 7.710 0.04 . 1 . . . . 107 MET H . 15851 1 1229 . 1 1 113 113 MET HA H 1 4.029 0.04 . 1 . . . . 107 MET HA . 15851 1 1230 . 1 1 113 113 MET HB2 H 1 2.168 0.04 . 2 . . . . 107 MET HB2 . 15851 1 1231 . 1 1 113 113 MET HB3 H 1 1.523 0.04 . 2 . . . . 107 MET HB3 . 15851 1 1232 . 1 1 113 113 MET HE1 H 1 0.672 0.04 . 1 . . . . 107 MET QE . 15851 1 1233 . 1 1 113 113 MET HE2 H 1 0.672 0.04 . 1 . . . . 107 MET QE . 15851 1 1234 . 1 1 113 113 MET HE3 H 1 0.672 0.04 . 1 . . . . 107 MET QE . 15851 1 1235 . 1 1 113 113 MET HG2 H 1 2.306 0.04 . 2 . . . . 107 MET HG2 . 15851 1 1236 . 1 1 113 113 MET HG3 H 1 2.255 0.04 . 2 . . . . 107 MET HG3 . 15851 1 1237 . 1 1 113 113 MET CA C 13 59.082 0.4 . 1 . . . . 107 MET CA . 15851 1 1238 . 1 1 113 113 MET CB C 13 29.413 0.4 . 1 . . . . 107 MET CB . 15851 1 1239 . 1 1 113 113 MET CE C 13 14.894 0.4 . 1 . . . . 107 MET CE . 15851 1 1240 . 1 1 113 113 MET CG C 13 33.216 0.4 . 1 . . . . 107 MET CG . 15851 1 1241 . 1 1 113 113 MET N N 15 118.203 0.4 . 1 . . . . 107 MET N . 15851 1 1242 . 1 1 114 114 PRO HA H 1 3.703 0.04 . 1 . . . . 108 PRO HA . 15851 1 1243 . 1 1 114 114 PRO HB2 H 1 1.669 0.04 . 2 . . . . 108 PRO HB2 . 15851 1 1244 . 1 1 114 114 PRO HB3 H 1 1.588 0.04 . 2 . . . . 108 PRO HB3 . 15851 1 1245 . 1 1 114 114 PRO HD2 H 1 3.521 0.04 . 2 . . . . 108 PRO HD2 . 15851 1 1246 . 1 1 114 114 PRO HD3 H 1 3.338 0.04 . 2 . . . . 108 PRO HD3 . 15851 1 1247 . 1 1 114 114 PRO HG2 H 1 0.307 0.04 . 2 . . . . 108 PRO HG2 . 15851 1 1248 . 1 1 114 114 PRO HG3 H 1 1.390 0.04 . 2 . . . . 108 PRO HG3 . 15851 1 1249 . 1 1 114 114 PRO C C 13 177.275 0.4 . 1 . . . . 108 PRO C . 15851 1 1250 . 1 1 114 114 PRO CA C 13 66.078 0.4 . 1 . . . . 108 PRO CA . 15851 1 1251 . 1 1 114 114 PRO CB C 13 31.757 0.4 . 1 . . . . 108 PRO CB . 15851 1 1252 . 1 1 114 114 PRO CD C 13 50.566 0.4 . 1 . . . . 108 PRO CD . 15851 1 1253 . 1 1 114 114 PRO CG C 13 27.868 0.4 . 1 . . . . 108 PRO CG . 15851 1 1254 . 1 1 115 115 ARG H H 1 7.318 0.04 . 1 . . . . 109 ARG H . 15851 1 1255 . 1 1 115 115 ARG HA H 1 3.883 0.04 . 1 . . . . 109 ARG HA . 15851 1 1256 . 1 1 115 115 ARG HB2 H 1 1.920 0.04 . 2 . . . . 109 ARG HB2 . 15851 1 1257 . 1 1 115 115 ARG HB3 H 1 2.083 0.04 . 2 . . . . 109 ARG HB3 . 15851 1 1258 . 1 1 115 115 ARG HD2 H 1 3.257 0.04 . 2 . . . . 109 ARG HD2 . 15851 1 1259 . 1 1 115 115 ARG HD3 H 1 3.113 0.04 . 2 . . . . 109 ARG HD3 . 15851 1 1260 . 1 1 115 115 ARG HG2 H 1 1.782 0.04 . 2 . . . . 109 ARG HG2 . 15851 1 1261 . 1 1 115 115 ARG HG3 H 1 1.529 0.04 . 2 . . . . 109 ARG HG3 . 15851 1 1262 . 1 1 115 115 ARG C C 13 178.232 0.4 . 1 . . . . 109 ARG C . 15851 1 1263 . 1 1 115 115 ARG CA C 13 58.109 0.4 . 1 . . . . 109 ARG CA . 15851 1 1264 . 1 1 115 115 ARG CB C 13 30.223 0.4 . 1 . . . . 109 ARG CB . 15851 1 1265 . 1 1 115 115 ARG CD C 13 44.657 0.4 . 1 . . . . 109 ARG CD . 15851 1 1266 . 1 1 115 115 ARG CG C 13 27.456 0.4 . 1 . . . . 109 ARG CG . 15851 1 1267 . 1 1 115 115 ARG N N 15 110.383 0.4 . 1 . . . . 109 ARG N . 15851 1 1268 . 1 1 116 116 LEU H H 1 7.616 0.04 . 1 . . . . 110 LEU H . 15851 1 1269 . 1 1 116 116 LEU HA H 1 4.184 0.04 . 1 . . . . 110 LEU HA . 15851 1 1270 . 1 1 116 116 LEU HB2 H 1 1.380 0.04 . 2 . . . . 110 LEU HB2 . 15851 1 1271 . 1 1 116 116 LEU HB3 H 1 1.998 0.04 . 2 . . . . 110 LEU HB3 . 15851 1 1272 . 1 1 116 116 LEU HD11 H 1 0.754 0.04 . 2 . . . . 110 LEU QD1 . 15851 1 1273 . 1 1 116 116 LEU HD12 H 1 0.754 0.04 . 2 . . . . 110 LEU QD1 . 15851 1 1274 . 1 1 116 116 LEU HD13 H 1 0.754 0.04 . 2 . . . . 110 LEU QD1 . 15851 1 1275 . 1 1 116 116 LEU HD21 H 1 0.718 0.04 . 2 . . . . 110 LEU QD2 . 15851 1 1276 . 1 1 116 116 LEU HD22 H 1 0.718 0.04 . 2 . . . . 110 LEU QD2 . 15851 1 1277 . 1 1 116 116 LEU HD23 H 1 0.718 0.04 . 2 . . . . 110 LEU QD2 . 15851 1 1278 . 1 1 116 116 LEU HG H 1 1.064 0.04 . 1 . . . . 110 LEU HG . 15851 1 1279 . 1 1 116 116 LEU C C 13 176.864 0.4 . 1 . . . . 110 LEU C . 15851 1 1280 . 1 1 116 116 LEU CA C 13 55.423 0.4 . 1 . . . . 110 LEU CA . 15851 1 1281 . 1 1 116 116 LEU CB C 13 41.575 0.4 . 1 . . . . 110 LEU CB . 15851 1 1282 . 1 1 116 116 LEU CD1 C 13 22.786 0.4 . 2 . . . . 110 LEU CD1 . 15851 1 1283 . 1 1 116 116 LEU CD2 C 13 25.699 0.4 . 2 . . . . 110 LEU CD2 . 15851 1 1284 . 1 1 116 116 LEU CG C 13 25.887 0.4 . 1 . . . . 110 LEU CG . 15851 1 1285 . 1 1 116 116 LEU N N 15 116.344 0.4 . 1 . . . . 110 LEU N . 15851 1 1286 . 1 1 117 117 ALA H H 1 7.153 0.04 . 1 . . . . 111 ALA H . 15851 1 1287 . 1 1 117 117 ALA HA H 1 4.578 0.04 . 1 . . . . 111 ALA HA . 15851 1 1288 . 1 1 117 117 ALA HB1 H 1 1.347 0.04 . 1 . . . . 111 ALA QB . 15851 1 1289 . 1 1 117 117 ALA HB2 H 1 1.347 0.04 . 1 . . . . 111 ALA QB . 15851 1 1290 . 1 1 117 117 ALA HB3 H 1 1.347 0.04 . 1 . . . . 111 ALA QB . 15851 1 1291 . 1 1 117 117 ALA C C 13 175.238 0.4 . 1 . . . . 111 ALA C . 15851 1 1292 . 1 1 117 117 ALA CA C 13 53.142 0.4 . 1 . . . . 111 ALA CA . 15851 1 1293 . 1 1 117 117 ALA CB C 13 19.868 0.4 . 1 . . . . 111 ALA CB . 15851 1 1294 . 1 1 117 117 ALA N N 15 118.367 0.4 . 1 . . . . 111 ALA N . 15851 1 1295 . 1 1 118 118 VAL H H 1 6.737 0.04 . 1 . . . . 112 VAL H . 15851 1 1296 . 1 1 118 118 VAL HA H 1 4.474 0.04 . 1 . . . . 112 VAL HA . 15851 1 1297 . 1 1 118 118 VAL HB H 1 2.208 0.04 . 1 . . . . 112 VAL HB . 15851 1 1298 . 1 1 118 118 VAL HG11 H 1 0.968 0.04 . 2 . . . . 112 VAL QG1 . 15851 1 1299 . 1 1 118 118 VAL HG12 H 1 0.968 0.04 . 2 . . . . 112 VAL QG1 . 15851 1 1300 . 1 1 118 118 VAL HG13 H 1 0.968 0.04 . 2 . . . . 112 VAL QG1 . 15851 1 1301 . 1 1 118 118 VAL HG21 H 1 0.945 0.04 . 2 . . . . 112 VAL QG2 . 15851 1 1302 . 1 1 118 118 VAL HG22 H 1 0.945 0.04 . 2 . . . . 112 VAL QG2 . 15851 1 1303 . 1 1 118 118 VAL HG23 H 1 0.945 0.04 . 2 . . . . 112 VAL QG2 . 15851 1 1304 . 1 1 118 118 VAL CA C 13 59.454 0.4 . 1 . . . . 112 VAL CA . 15851 1 1305 . 1 1 118 118 VAL CB C 13 34.072 0.4 . 1 . . . . 112 VAL CB . 15851 1 1306 . 1 1 118 118 VAL CG1 C 13 19.370 0.4 . 2 . . . . 112 VAL CG1 . 15851 1 1307 . 1 1 118 118 VAL CG2 C 13 22.127 0.4 . 2 . . . . 112 VAL CG2 . 15851 1 1308 . 1 1 118 118 VAL N N 15 108.688 0.4 . 1 . . . . 112 VAL N . 15851 1 1309 . 1 1 119 119 THR HA H 1 4.115 0.04 . 1 . . . . 113 THR HA . 15851 1 1310 . 1 1 119 119 THR HB H 1 4.380 0.04 . 1 . . . . 113 THR HB . 15851 1 1311 . 1 1 119 119 THR HG21 H 1 1.211 0.04 . 1 . . . . 113 THR QG2 . 15851 1 1312 . 1 1 119 119 THR HG22 H 1 1.211 0.04 . 1 . . . . 113 THR QG2 . 15851 1 1313 . 1 1 119 119 THR HG23 H 1 1.211 0.04 . 1 . . . . 113 THR QG2 . 15851 1 1314 . 1 1 119 119 THR C C 13 174.627 0.4 . 1 . . . . 113 THR C . 15851 1 1315 . 1 1 119 119 THR CA C 13 62.713 0.4 . 1 . . . . 113 THR CA . 15851 1 1316 . 1 1 119 119 THR CB C 13 69.162 0.4 . 1 . . . . 113 THR CB . 15851 1 1317 . 1 1 119 119 THR CG2 C 13 21.659 0.4 . 1 . . . . 113 THR CG2 . 15851 1 1318 . 1 1 120 120 ASN H H 1 7.984 0.04 . 1 . . . . 114 ASN H . 15851 1 1319 . 1 1 120 120 ASN HA H 1 4.562 0.04 . 1 . . . . 114 ASN HA . 15851 1 1320 . 1 1 120 120 ASN HB2 H 1 2.378 0.04 . 2 . . . . 114 ASN HB2 . 15851 1 1321 . 1 1 120 120 ASN HB3 H 1 2.180 0.04 . 2 . . . . 114 ASN HB3 . 15851 1 1322 . 1 1 120 120 ASN CA C 13 53.712 0.4 . 1 . . . . 114 ASN CA . 15851 1 1323 . 1 1 120 120 ASN CB C 13 41.299 0.4 . 1 . . . . 114 ASN CB . 15851 1 1324 . 1 1 120 120 ASN N N 15 122.961 0.4 . 1 . . . . 114 ASN N . 15851 1 1325 . 1 1 121 121 THR HA H 1 4.156 0.04 . 1 . . . . 115 THR HA . 15851 1 1326 . 1 1 121 121 THR HB H 1 4.333 0.04 . 1 . . . . 115 THR HB . 15851 1 1327 . 1 1 121 121 THR HG21 H 1 1.265 0.04 . 1 . . . . 115 THR QG2 . 15851 1 1328 . 1 1 121 121 THR HG22 H 1 1.265 0.04 . 1 . . . . 115 THR QG2 . 15851 1 1329 . 1 1 121 121 THR HG23 H 1 1.265 0.04 . 1 . . . . 115 THR QG2 . 15851 1 1330 . 1 1 121 121 THR CA C 13 63.048 0.4 . 1 . . . . 115 THR CA . 15851 1 1331 . 1 1 121 121 THR CB C 13 68.880 0.4 . 1 . . . . 115 THR CB . 15851 1 1332 . 1 1 121 121 THR CG2 C 13 22.327 0.4 . 1 . . . . 115 THR CG2 . 15851 1 1333 . 1 1 122 122 THR HA H 1 3.855 0.04 . 1 . . . . 116 THR HA . 15851 1 1334 . 1 1 122 122 THR HB H 1 4.169 0.04 . 1 . . . . 116 THR HB . 15851 1 1335 . 1 1 122 122 THR HG21 H 1 1.261 0.04 . 1 . . . . 116 THR QG2 . 15851 1 1336 . 1 1 122 122 THR HG22 H 1 1.261 0.04 . 1 . . . . 116 THR QG2 . 15851 1 1337 . 1 1 122 122 THR HG23 H 1 1.261 0.04 . 1 . . . . 116 THR QG2 . 15851 1 1338 . 1 1 122 122 THR CA C 13 66.377 0.4 . 1 . . . . 116 THR CA . 15851 1 1339 . 1 1 122 122 THR CB C 13 69.034 0.4 . 1 . . . . 116 THR CB . 15851 1 1340 . 1 1 122 122 THR CG2 C 13 22.343 0.4 . 1 . . . . 116 THR CG2 . 15851 1 1341 . 1 1 123 123 MET H H 1 8.540 0.04 . 1 . . . . 117 MET H . 15851 1 1342 . 1 1 123 123 MET HA H 1 4.402 0.04 . 1 . . . . 117 MET HA . 15851 1 1343 . 1 1 123 123 MET HB2 H 1 2.279 0.04 . 2 . . . . 117 MET QB . 15851 1 1344 . 1 1 123 123 MET HB3 H 1 2.279 0.04 . 2 . . . . 117 MET QB . 15851 1 1345 . 1 1 123 123 MET HE1 H 1 1.943 0.04 . 1 . . . . 117 MET QE . 15851 1 1346 . 1 1 123 123 MET HE2 H 1 1.943 0.04 . 1 . . . . 117 MET QE . 15851 1 1347 . 1 1 123 123 MET HE3 H 1 1.943 0.04 . 1 . . . . 117 MET QE . 15851 1 1348 . 1 1 123 123 MET HG2 H 1 2.450 0.04 . 2 . . . . 117 MET QG . 15851 1 1349 . 1 1 123 123 MET HG3 H 1 2.450 0.04 . 2 . . . . 117 MET QG . 15851 1 1350 . 1 1 123 123 MET C C 13 177.016 0.4 . 1 . . . . 117 MET C . 15851 1 1351 . 1 1 123 123 MET CA C 13 56.675 0.4 . 1 . . . . 117 MET CA . 15851 1 1352 . 1 1 123 123 MET CB C 13 32.173 0.4 . 1 . . . . 117 MET CB . 15851 1 1353 . 1 1 123 123 MET CE C 13 17.349 0.4 . 1 . . . . 117 MET CE . 15851 1 1354 . 1 1 123 123 MET CG C 13 32.478 0.4 . 1 . . . . 117 MET CG . 15851 1 1355 . 1 1 124 124 THR H H 1 8.110 0.04 . 1 . . . . 118 THR H . 15851 1 1356 . 1 1 124 124 THR HA H 1 4.131 0.04 . 1 . . . . 118 THR HA . 15851 1 1357 . 1 1 124 124 THR HB H 1 4.307 0.04 . 1 . . . . 118 THR HB . 15851 1 1358 . 1 1 124 124 THR HG21 H 1 1.233 0.04 . 1 . . . . 118 THR QG2 . 15851 1 1359 . 1 1 124 124 THR HG22 H 1 1.233 0.04 . 1 . . . . 118 THR QG2 . 15851 1 1360 . 1 1 124 124 THR HG23 H 1 1.233 0.04 . 1 . . . . 118 THR QG2 . 15851 1 1361 . 1 1 124 124 THR CA C 13 63.274 0.4 . 1 . . . . 118 THR CA . 15851 1 1362 . 1 1 124 124 THR CB C 13 68.810 0.4 . 1 . . . . 118 THR CB . 15851 1 1363 . 1 1 124 124 THR CG2 C 13 21.809 0.4 . 1 . . . . 118 THR CG2 . 15851 1 1364 . 1 1 124 124 THR N N 15 111.258 0.4 . 1 . . . . 118 THR N . 15851 1 1365 . 1 1 125 125 GLY HA2 H 1 3.978 0.04 . 2 . . . . 119 GLY HA2 . 15851 1 1366 . 1 1 125 125 GLY HA3 H 1 3.783 0.04 . 2 . . . . 119 GLY HA3 . 15851 1 1367 . 1 1 125 125 GLY C C 13 174.812 0.4 . 1 . . . . 119 GLY C . 15851 1 1368 . 1 1 125 125 GLY CA C 13 46.032 0.4 . 1 . . . . 119 GLY CA . 15851 1 1369 . 1 1 126 126 THR H H 1 7.924 0.04 . 1 . . . . 120 THR H . 15851 1 1370 . 1 1 126 126 THR HA H 1 4.288 0.04 . 1 . . . . 120 THR HA . 15851 1 1371 . 1 1 126 126 THR HB H 1 4.295 0.04 . 1 . . . . 120 THR HB . 15851 1 1372 . 1 1 126 126 THR HG21 H 1 1.201 0.04 . 1 . . . . 120 THR QG2 . 15851 1 1373 . 1 1 126 126 THR HG22 H 1 1.201 0.04 . 1 . . . . 120 THR QG2 . 15851 1 1374 . 1 1 126 126 THR HG23 H 1 1.201 0.04 . 1 . . . . 120 THR QG2 . 15851 1 1375 . 1 1 126 126 THR C C 13 175.040 0.4 . 1 . . . . 120 THR C . 15851 1 1376 . 1 1 126 126 THR CA C 13 63.587 0.4 . 1 . . . . 120 THR CA . 15851 1 1377 . 1 1 126 126 THR CB C 13 69.170 0.4 . 1 . . . . 120 THR CB . 15851 1 1378 . 1 1 126 126 THR CG2 C 13 21.702 0.4 . 1 . . . . 120 THR CG2 . 15851 1 1379 . 1 1 126 126 THR N N 15 114.594 0.4 . 1 . . . . 120 THR N . 15851 1 1380 . 1 1 127 127 VAL H H 1 7.954 0.04 . 1 . . . . 121 VAL H . 15851 1 1381 . 1 1 127 127 VAL HA H 1 3.931 0.04 . 1 . . . . 121 VAL HA . 15851 1 1382 . 1 1 127 127 VAL HB H 1 2.285 0.04 . 1 . . . . 121 VAL HB . 15851 1 1383 . 1 1 127 127 VAL HG11 H 1 0.890 0.04 . 2 . . . . 121 VAL QG1 . 15851 1 1384 . 1 1 127 127 VAL HG12 H 1 0.890 0.04 . 2 . . . . 121 VAL QG1 . 15851 1 1385 . 1 1 127 127 VAL HG13 H 1 0.890 0.04 . 2 . . . . 121 VAL QG1 . 15851 1 1386 . 1 1 127 127 VAL HG21 H 1 0.884 0.04 . 2 . . . . 121 VAL QG2 . 15851 1 1387 . 1 1 127 127 VAL HG22 H 1 0.884 0.04 . 2 . . . . 121 VAL QG2 . 15851 1 1388 . 1 1 127 127 VAL HG23 H 1 0.884 0.04 . 2 . . . . 121 VAL QG2 . 15851 1 1389 . 1 1 127 127 VAL C C 13 175.952 0.4 . 1 . . . . 121 VAL C . 15851 1 1390 . 1 1 127 127 VAL CA C 13 64.586 0.4 . 1 . . . . 121 VAL CA . 15851 1 1391 . 1 1 127 127 VAL CB C 13 31.905 0.4 . 1 . . . . 121 VAL CB . 15851 1 1392 . 1 1 127 127 VAL CG1 C 13 22.530 0.4 . 2 . . . . 121 VAL CG1 . 15851 1 1393 . 1 1 127 127 VAL CG2 C 13 21.569 0.4 . 2 . . . . 121 VAL CG2 . 15851 1 1394 . 1 1 127 127 VAL N N 15 122.524 0.4 . 1 . . . . 121 VAL N . 15851 1 1395 . 1 1 128 128 LEU H H 1 7.856 0.04 . 1 . . . . 122 LEU H . 15851 1 1396 . 1 1 128 128 LEU HA H 1 4.187 0.04 . 1 . . . . 122 LEU HA . 15851 1 1397 . 1 1 128 128 LEU HB2 H 1 1.733 0.04 . 2 . . . . 122 LEU HB2 . 15851 1 1398 . 1 1 128 128 LEU HB3 H 1 1.466 0.04 . 2 . . . . 122 LEU HB3 . 15851 1 1399 . 1 1 128 128 LEU HD11 H 1 0.727 0.04 . 2 . . . . 122 LEU QD1 . 15851 1 1400 . 1 1 128 128 LEU HD12 H 1 0.727 0.04 . 2 . . . . 122 LEU QD1 . 15851 1 1401 . 1 1 128 128 LEU HD13 H 1 0.727 0.04 . 2 . . . . 122 LEU QD1 . 15851 1 1402 . 1 1 128 128 LEU HD21 H 1 0.597 0.04 . 2 . . . . 122 LEU QD2 . 15851 1 1403 . 1 1 128 128 LEU HD22 H 1 0.597 0.04 . 2 . . . . 122 LEU QD2 . 15851 1 1404 . 1 1 128 128 LEU HD23 H 1 0.597 0.04 . 2 . . . . 122 LEU QD2 . 15851 1 1405 . 1 1 128 128 LEU HG H 1 1.459 0.04 . 1 . . . . 122 LEU HG . 15851 1 1406 . 1 1 128 128 LEU CA C 13 54.984 0.4 . 1 . . . . 122 LEU CA . 15851 1 1407 . 1 1 128 128 LEU CB C 13 42.496 0.4 . 1 . . . . 122 LEU CB . 15851 1 1408 . 1 1 128 128 LEU CD1 C 13 25.700 0.4 . 2 . . . . 122 LEU CD1 . 15851 1 1409 . 1 1 128 128 LEU CD2 C 13 24.439 0.4 . 2 . . . . 122 LEU CD2 . 15851 1 1410 . 1 1 128 128 LEU CG C 13 27.393 0.4 . 1 . . . . 122 LEU CG . 15851 1 1411 . 1 1 128 128 LEU N N 15 117.492 0.4 . 1 . . . . 122 LEU N . 15851 1 1412 . 1 1 129 129 LYS HA H 1 4.687 0.04 . 1 . . . . 123 LYS HA . 15851 1 1413 . 1 1 129 129 LYS HB2 H 1 1.945 0.04 . 2 . . . . 123 LYS HB2 . 15851 1 1414 . 1 1 129 129 LYS HB3 H 1 1.721 0.04 . 2 . . . . 123 LYS HB3 . 15851 1 1415 . 1 1 129 129 LYS CA C 13 55.099 0.4 . 1 . . . . 123 LYS CA . 15851 1 1416 . 1 1 129 129 LYS CB C 13 34.504 0.4 . 1 . . . . 123 LYS CB . 15851 1 1417 . 1 1 130 130 MET HA H 1 4.509 0.04 . 1 . . . . 124 MET HA . 15851 1 1418 . 1 1 130 130 MET HE1 H 1 1.365 0.04 . 1 . . . . 124 MET QE . 15851 1 1419 . 1 1 130 130 MET HE2 H 1 1.365 0.04 . 1 . . . . 124 MET QE . 15851 1 1420 . 1 1 130 130 MET HE3 H 1 1.365 0.04 . 1 . . . . 124 MET QE . 15851 1 1421 . 1 1 130 130 MET CA C 13 56.644 0.4 . 1 . . . . 124 MET CA . 15851 1 1422 . 1 1 130 130 MET CE C 13 16.843 0.4 . 1 . . . . 124 MET CE . 15851 1 1423 . 1 1 131 131 THR HA H 1 4.127 0.04 . 1 . . . . 125 THR HA . 15851 1 1424 . 1 1 131 131 THR HB H 1 4.205 0.04 . 1 . . . . 125 THR HB . 15851 1 1425 . 1 1 131 131 THR HG21 H 1 1.225 0.04 . 1 . . . . 125 THR QG2 . 15851 1 1426 . 1 1 131 131 THR HG22 H 1 1.225 0.04 . 1 . . . . 125 THR QG2 . 15851 1 1427 . 1 1 131 131 THR HG23 H 1 1.225 0.04 . 1 . . . . 125 THR QG2 . 15851 1 1428 . 1 1 131 131 THR C C 13 176.560 0.4 . 1 . . . . 125 THR C . 15851 1 1429 . 1 1 131 131 THR CA C 13 62.906 0.4 . 1 . . . . 125 THR CA . 15851 1 1430 . 1 1 131 131 THR CB C 13 69.319 0.4 . 1 . . . . 125 THR CB . 15851 1 1431 . 1 1 131 131 THR CG2 C 13 21.759 0.4 . 1 . . . . 125 THR CG2 . 15851 1 1432 . 1 1 132 132 ASP H H 1 7.324 0.04 . 1 . . . . 126 ASP H . 15851 1 1433 . 1 1 132 132 ASP HA H 1 4.148 0.04 . 1 . . . . 126 ASP HA . 15851 1 1434 . 1 1 132 132 ASP HB2 H 1 2.775 0.04 . 2 . . . . 126 ASP HB2 . 15851 1 1435 . 1 1 132 132 ASP HB3 H 1 2.398 0.04 . 2 . . . . 126 ASP HB3 . 15851 1 1436 . 1 1 132 132 ASP C C 13 176.758 0.4 . 1 . . . . 126 ASP C . 15851 1 1437 . 1 1 132 132 ASP CA C 13 58.486 0.4 . 1 . . . . 126 ASP CA . 15851 1 1438 . 1 1 132 132 ASP CB C 13 42.931 0.4 . 1 . . . . 126 ASP CB . 15851 1 1439 . 1 1 132 132 ASP N N 15 124.492 0.4 . 1 . . . . 126 ASP N . 15851 1 1440 . 1 1 133 133 ARG H H 1 8.335 0.04 . 1 . . . . 127 ARG H . 15851 1 1441 . 1 1 133 133 ARG HA H 1 3.855 0.04 . 1 . . . . 127 ARG HA . 15851 1 1442 . 1 1 133 133 ARG HB2 H 1 1.925 0.04 . 2 . . . . 127 ARG HB2 . 15851 1 1443 . 1 1 133 133 ARG HB3 H 1 1.905 0.04 . 2 . . . . 127 ARG HB3 . 15851 1 1444 . 1 1 133 133 ARG HD2 H 1 3.220 0.04 . 2 . . . . 127 ARG HD2 . 15851 1 1445 . 1 1 133 133 ARG HD3 H 1 3.184 0.04 . 2 . . . . 127 ARG HD3 . 15851 1 1446 . 1 1 133 133 ARG HG2 H 1 1.748 0.04 . 2 . . . . 127 ARG HG2 . 15851 1 1447 . 1 1 133 133 ARG HG3 H 1 1.655 0.04 . 2 . . . . 127 ARG HG3 . 15851 1 1448 . 1 1 133 133 ARG C C 13 178.308 0.4 . 1 . . . . 127 ARG C . 15851 1 1449 . 1 1 133 133 ARG CA C 13 59.343 0.4 . 1 . . . . 127 ARG CA . 15851 1 1450 . 1 1 133 133 ARG CB C 13 30.000 0.4 . 1 . . . . 127 ARG CB . 15851 1 1451 . 1 1 133 133 ARG CD C 13 43.124 0.4 . 1 . . . . 127 ARG CD . 15851 1 1452 . 1 1 133 133 ARG CG C 13 27.285 0.4 . 1 . . . . 127 ARG CG . 15851 1 1453 . 1 1 133 133 ARG N N 15 116.617 0.4 . 1 . . . . 127 ARG N . 15851 1 1454 . 1 1 134 134 SER H H 1 8.586 0.04 . 1 . . . . 128 SER H . 15851 1 1455 . 1 1 134 134 SER HA H 1 4.370 0.04 . 1 . . . . 128 SER HA . 15851 1 1456 . 1 1 134 134 SER HB2 H 1 4.036 0.04 . 2 . . . . 128 SER HB2 . 15851 1 1457 . 1 1 134 134 SER HB3 H 1 3.994 0.04 . 2 . . . . 128 SER HB3 . 15851 1 1458 . 1 1 134 134 SER C C 13 177.928 0.4 . 1 . . . . 128 SER C . 15851 1 1459 . 1 1 134 134 SER CA C 13 61.335 0.4 . 1 . . . . 128 SER CA . 15851 1 1460 . 1 1 134 134 SER CB C 13 62.254 0.4 . 1 . . . . 128 SER CB . 15851 1 1461 . 1 1 134 134 SER N N 15 117.274 0.4 . 1 . . . . 128 SER N . 15851 1 1462 . 1 1 135 135 HIS H H 1 8.104 0.04 . 1 . . . . 129 HIS H . 15851 1 1463 . 1 1 135 135 HIS HA H 1 4.468 0.04 . 1 . . . . 129 HIS HA . 15851 1 1464 . 1 1 135 135 HIS HB2 H 1 3.464 0.04 . 2 . . . . 129 HIS HB2 . 15851 1 1465 . 1 1 135 135 HIS HB3 H 1 3.155 0.04 . 2 . . . . 129 HIS HB3 . 15851 1 1466 . 1 1 135 135 HIS HD2 H 1 6.876 0.04 . 1 . . . . 129 HIS HD2 . 15851 1 1467 . 1 1 135 135 HIS C C 13 176.712 0.4 . 1 . . . . 129 HIS C . 15851 1 1468 . 1 1 135 135 HIS CA C 13 57.227 0.4 . 1 . . . . 129 HIS CA . 15851 1 1469 . 1 1 135 135 HIS CB C 13 31.546 0.4 . 1 . . . . 129 HIS CB . 15851 1 1470 . 1 1 135 135 HIS N N 15 124.656 0.4 . 1 . . . . 129 HIS N . 15851 1 1471 . 1 1 136 136 ARG H H 1 7.929 0.04 . 1 . . . . 130 ARG H . 15851 1 1472 . 1 1 136 136 ARG HA H 1 4.004 0.04 . 1 . . . . 130 ARG HA . 15851 1 1473 . 1 1 136 136 ARG HB2 H 1 1.939 0.04 . 2 . . . . 130 ARG HB2 . 15851 1 1474 . 1 1 136 136 ARG HB3 H 1 1.955 0.04 . 2 . . . . 130 ARG HB3 . 15851 1 1475 . 1 1 136 136 ARG HD2 H 1 3.292 0.04 . 2 . . . . 130 ARG HD2 . 15851 1 1476 . 1 1 136 136 ARG HD3 H 1 3.225 0.04 . 2 . . . . 130 ARG HD3 . 15851 1 1477 . 1 1 136 136 ARG HG2 H 1 1.774 0.04 . 2 . . . . 130 ARG HG2 . 15851 1 1478 . 1 1 136 136 ARG HG3 H 1 1.634 0.04 . 2 . . . . 130 ARG HG3 . 15851 1 1479 . 1 1 136 136 ARG C C 13 178.460 0.4 . 1 . . . . 130 ARG C . 15851 1 1480 . 1 1 136 136 ARG CA C 13 59.539 0.4 . 1 . . . . 130 ARG CA . 15851 1 1481 . 1 1 136 136 ARG CB C 13 30.326 0.4 . 1 . . . . 130 ARG CB . 15851 1 1482 . 1 1 136 136 ARG CD C 13 43.490 0.4 . 1 . . . . 130 ARG CD . 15851 1 1483 . 1 1 136 136 ARG CG C 13 27.666 0.4 . 1 . . . . 130 ARG CG . 15851 1 1484 . 1 1 136 136 ARG N N 15 118.203 0.4 . 1 . . . . 130 ARG N . 15851 1 1485 . 1 1 137 137 GLN H H 1 8.062 0.04 . 1 . . . . 131 GLN H . 15851 1 1486 . 1 1 137 137 GLN HA H 1 4.150 0.04 . 1 . . . . 131 GLN HA . 15851 1 1487 . 1 1 137 137 GLN HB2 H 1 2.158 0.04 . 2 . . . . 131 GLN HB2 . 15851 1 1488 . 1 1 137 137 GLN HB3 H 1 2.198 0.04 . 2 . . . . 131 GLN HB3 . 15851 1 1489 . 1 1 137 137 GLN HG2 H 1 2.540 0.04 . 2 . . . . 131 GLN HG2 . 15851 1 1490 . 1 1 137 137 GLN HG3 H 1 2.426 0.04 . 2 . . . . 131 GLN HG3 . 15851 1 1491 . 1 1 137 137 GLN C C 13 177.487 0.4 . 1 . . . . 131 GLN C . 15851 1 1492 . 1 1 137 137 GLN CA C 13 58.675 0.4 . 1 . . . . 131 GLN CA . 15851 1 1493 . 1 1 137 137 GLN CB C 13 28.747 0.4 . 1 . . . . 131 GLN CB . 15851 1 1494 . 1 1 137 137 GLN CG C 13 34.078 0.4 . 1 . . . . 131 GLN CG . 15851 1 1495 . 1 1 137 137 GLN N N 15 118.039 0.4 . 1 . . . . 131 GLN N . 15851 1 1496 . 1 1 138 138 LYS H H 1 7.854 0.04 . 1 . . . . 132 LYS H . 15851 1 1497 . 1 1 138 138 LYS HA H 1 4.035 0.04 . 1 . . . . 132 LYS HA . 15851 1 1498 . 1 1 138 138 LYS HB2 H 1 1.948 0.04 . 2 . . . . 132 LYS HB2 . 15851 1 1499 . 1 1 138 138 LYS HB3 H 1 1.902 0.04 . 2 . . . . 132 LYS HB3 . 15851 1 1500 . 1 1 138 138 LYS HD2 H 1 1.717 0.04 . 2 . . . . 132 LYS HD2 . 15851 1 1501 . 1 1 138 138 LYS HD3 H 1 1.677 0.04 . 2 . . . . 132 LYS HD3 . 15851 1 1502 . 1 1 138 138 LYS HE2 H 1 2.946 0.04 . 2 . . . . 132 LYS HE2 . 15851 1 1503 . 1 1 138 138 LYS HE3 H 1 2.932 0.04 . 2 . . . . 132 LYS HE3 . 15851 1 1504 . 1 1 138 138 LYS HG2 H 1 1.548 0.04 . 2 . . . . 132 LYS HG2 . 15851 1 1505 . 1 1 138 138 LYS HG3 H 1 1.360 0.04 . 2 . . . . 132 LYS HG3 . 15851 1 1506 . 1 1 138 138 LYS C C 13 178.050 0.4 . 1 . . . . 132 LYS C . 15851 1 1507 . 1 1 138 138 LYS CA C 13 59.434 0.4 . 1 . . . . 132 LYS CA . 15851 1 1508 . 1 1 138 138 LYS CB C 13 32.506 0.4 . 1 . . . . 132 LYS CB . 15851 1 1509 . 1 1 138 138 LYS CD C 13 29.437 0.4 . 1 . . . . 132 LYS CD . 15851 1 1510 . 1 1 138 138 LYS CE C 13 42.070 0.4 . 1 . . . . 132 LYS CE . 15851 1 1511 . 1 1 138 138 LYS CG C 13 25.157 0.4 . 1 . . . . 132 LYS CG . 15851 1 1512 . 1 1 138 138 LYS N N 15 120.336 0.4 . 1 . . . . 132 LYS N . 15851 1 1513 . 1 1 139 139 LEU H H 1 8.270 0.04 . 1 . . . . 133 LEU H . 15851 1 1514 . 1 1 139 139 LEU HA H 1 3.925 0.04 . 1 . . . . 133 LEU HA . 15851 1 1515 . 1 1 139 139 LEU HB2 H 1 1.991 0.04 . 2 . . . . 133 LEU HB2 . 15851 1 1516 . 1 1 139 139 LEU HB3 H 1 1.379 0.04 . 2 . . . . 133 LEU HB3 . 15851 1 1517 . 1 1 139 139 LEU HD11 H 1 1.180 0.04 . 2 . . . . 133 LEU QD1 . 15851 1 1518 . 1 1 139 139 LEU HD12 H 1 1.180 0.04 . 2 . . . . 133 LEU QD1 . 15851 1 1519 . 1 1 139 139 LEU HD13 H 1 1.180 0.04 . 2 . . . . 133 LEU QD1 . 15851 1 1520 . 1 1 139 139 LEU HD21 H 1 1.053 0.04 . 2 . . . . 133 LEU QD2 . 15851 1 1521 . 1 1 139 139 LEU HD22 H 1 1.053 0.04 . 2 . . . . 133 LEU QD2 . 15851 1 1522 . 1 1 139 139 LEU HD23 H 1 1.053 0.04 . 2 . . . . 133 LEU QD2 . 15851 1 1523 . 1 1 139 139 LEU HG H 1 1.773 0.04 . 1 . . . . 133 LEU HG . 15851 1 1524 . 1 1 139 139 LEU C C 13 177.259 0.4 . 1 . . . . 133 LEU C . 15851 1 1525 . 1 1 139 139 LEU CA C 13 58.326 0.4 . 1 . . . . 133 LEU CA . 15851 1 1526 . 1 1 139 139 LEU CB C 13 42.011 0.4 . 1 . . . . 133 LEU CB . 15851 1 1527 . 1 1 139 139 LEU CD1 C 13 25.114 0.4 . 2 . . . . 133 LEU CD1 . 15851 1 1528 . 1 1 139 139 LEU CD2 C 13 27.180 0.4 . 2 . . . . 133 LEU CD2 . 15851 1 1529 . 1 1 139 139 LEU CG C 13 27.214 0.4 . 1 . . . . 133 LEU CG . 15851 1 1530 . 1 1 139 139 LEU N N 15 117.930 0.4 . 1 . . . . 133 LEU N . 15851 1 1531 . 1 1 140 140 GLN H H 1 8.099 0.04 . 1 . . . . 134 GLN H . 15851 1 1532 . 1 1 140 140 GLN HA H 1 4.445 0.04 . 1 . . . . 134 GLN HA . 15851 1 1533 . 1 1 140 140 GLN HB2 H 1 2.151 0.04 . 2 . . . . 134 GLN HB2 . 15851 1 1534 . 1 1 140 140 GLN HB3 H 1 2.259 0.04 . 2 . . . . 134 GLN HB3 . 15851 1 1535 . 1 1 140 140 GLN HG2 H 1 2.465 0.04 . 2 . . . . 134 GLN HG2 . 15851 1 1536 . 1 1 140 140 GLN HG3 H 1 2.300 0.04 . 2 . . . . 134 GLN HG3 . 15851 1 1537 . 1 1 140 140 GLN C C 13 178.050 0.4 . 1 . . . . 134 GLN C . 15851 1 1538 . 1 1 140 140 GLN CA C 13 58.762 0.4 . 1 . . . . 134 GLN CA . 15851 1 1539 . 1 1 140 140 GLN CB C 13 28.061 0.4 . 1 . . . . 134 GLN CB . 15851 1 1540 . 1 1 140 140 GLN CG C 13 33.334 0.4 . 1 . . . . 134 GLN CG . 15851 1 1541 . 1 1 140 140 GLN N N 15 117.274 0.4 . 1 . . . . 134 GLN N . 15851 1 1542 . 1 1 141 141 LEU H H 1 8.067 0.04 . 1 . . . . 135 LEU H . 15851 1 1543 . 1 1 141 141 LEU HA H 1 4.146 0.04 . 1 . . . . 135 LEU HA . 15851 1 1544 . 1 1 141 141 LEU HB2 H 1 1.894 0.04 . 2 . . . . 135 LEU HB2 . 15851 1 1545 . 1 1 141 141 LEU HB3 H 1 1.698 0.04 . 2 . . . . 135 LEU HB3 . 15851 1 1546 . 1 1 141 141 LEU HD11 H 1 0.969 0.04 . 2 . . . . 135 LEU QD1 . 15851 1 1547 . 1 1 141 141 LEU HD12 H 1 0.969 0.04 . 2 . . . . 135 LEU QD1 . 15851 1 1548 . 1 1 141 141 LEU HD13 H 1 0.969 0.04 . 2 . . . . 135 LEU QD1 . 15851 1 1549 . 1 1 141 141 LEU HD21 H 1 0.913 0.04 . 2 . . . . 135 LEU QD2 . 15851 1 1550 . 1 1 141 141 LEU HD22 H 1 0.913 0.04 . 2 . . . . 135 LEU QD2 . 15851 1 1551 . 1 1 141 141 LEU HD23 H 1 0.913 0.04 . 2 . . . . 135 LEU QD2 . 15851 1 1552 . 1 1 141 141 LEU HG H 1 1.833 0.04 . 1 . . . . 135 LEU HG . 15851 1 1553 . 1 1 141 141 LEU C C 13 180.041 0.4 . 1 . . . . 135 LEU C . 15851 1 1554 . 1 1 141 141 LEU CA C 13 58.186 0.4 . 1 . . . . 135 LEU CA . 15851 1 1555 . 1 1 141 141 LEU CB C 13 42.156 0.4 . 1 . . . . 135 LEU CB . 15851 1 1556 . 1 1 141 141 LEU CD1 C 13 25.122 0.4 . 2 . . . . 135 LEU CD1 . 15851 1 1557 . 1 1 141 141 LEU CD2 C 13 23.884 0.4 . 2 . . . . 135 LEU CD2 . 15851 1 1558 . 1 1 141 141 LEU CG C 13 27.281 0.4 . 1 . . . . 135 LEU CG . 15851 1 1559 . 1 1 141 141 LEU N N 15 118.586 0.4 . 1 . . . . 135 LEU N . 15851 1 1560 . 1 1 142 142 LYS H H 1 8.299 0.04 . 1 . . . . 136 LYS H . 15851 1 1561 . 1 1 142 142 LYS HA H 1 4.514 0.04 . 1 . . . . 136 LYS HA . 15851 1 1562 . 1 1 142 142 LYS HB2 H 1 1.836 0.04 . 2 . . . . 136 LYS HB2 . 15851 1 1563 . 1 1 142 142 LYS HB3 H 1 2.192 0.04 . 2 . . . . 136 LYS HB3 . 15851 1 1564 . 1 1 142 142 LYS HD2 H 1 1.705 0.04 . 2 . . . . 136 LYS HD2 . 15851 1 1565 . 1 1 142 142 LYS HD3 H 1 1.268 0.04 . 2 . . . . 136 LYS HD3 . 15851 1 1566 . 1 1 142 142 LYS HE2 H 1 2.756 0.04 . 2 . . . . 136 LYS HE2 . 15851 1 1567 . 1 1 142 142 LYS HE3 H 1 2.742 0.04 . 2 . . . . 136 LYS HE3 . 15851 1 1568 . 1 1 142 142 LYS HG2 H 1 1.738 0.04 . 2 . . . . 136 LYS HG2 . 15851 1 1569 . 1 1 142 142 LYS HG3 H 1 1.713 0.04 . 2 . . . . 136 LYS HG3 . 15851 1 1570 . 1 1 142 142 LYS C C 13 179.935 0.4 . 1 . . . . 136 LYS C . 15851 1 1571 . 1 1 142 142 LYS CA C 13 57.434 0.4 . 1 . . . . 136 LYS CA . 15851 1 1572 . 1 1 142 142 LYS CB C 13 32.179 0.4 . 1 . . . . 136 LYS CB . 15851 1 1573 . 1 1 142 142 LYS CD C 13 27.909 0.4 . 1 . . . . 136 LYS CD . 15851 1 1574 . 1 1 142 142 LYS CE C 13 42.005 0.4 . 1 . . . . 136 LYS CE . 15851 1 1575 . 1 1 142 142 LYS CG C 13 25.178 0.4 . 1 . . . . 136 LYS CG . 15851 1 1576 . 1 1 142 142 LYS N N 15 117.055 0.4 . 1 . . . . 136 LYS N . 15851 1 1577 . 1 1 143 143 ALA H H 1 9.413 0.04 . 1 . . . . 137 ALA H . 15851 1 1578 . 1 1 143 143 ALA HA H 1 4.391 0.04 . 1 . . . . 137 ALA HA . 15851 1 1579 . 1 1 143 143 ALA HB1 H 1 1.556 0.04 . 1 . . . . 137 ALA QB . 15851 1 1580 . 1 1 143 143 ALA HB2 H 1 1.556 0.04 . 1 . . . . 137 ALA QB . 15851 1 1581 . 1 1 143 143 ALA HB3 H 1 1.556 0.04 . 1 . . . . 137 ALA QB . 15851 1 1582 . 1 1 143 143 ALA C C 13 178.278 0.4 . 1 . . . . 137 ALA C . 15851 1 1583 . 1 1 143 143 ALA CA C 13 56.233 0.4 . 1 . . . . 137 ALA CA . 15851 1 1584 . 1 1 143 143 ALA CB C 13 18.166 0.4 . 1 . . . . 137 ALA CB . 15851 1 1585 . 1 1 143 143 ALA N N 15 124.820 0.4 . 1 . . . . 137 ALA N . 15851 1 1586 . 1 1 144 144 LEU H H 1 8.674 0.04 . 1 . . . . 138 LEU H . 15851 1 1587 . 1 1 144 144 LEU HA H 1 3.812 0.04 . 1 . . . . 138 LEU HA . 15851 1 1588 . 1 1 144 144 LEU HB2 H 1 1.990 0.04 . 2 . . . . 138 LEU HB2 . 15851 1 1589 . 1 1 144 144 LEU HB3 H 1 2.253 0.04 . 2 . . . . 138 LEU HB3 . 15851 1 1590 . 1 1 144 144 LEU HD11 H 1 1.077 0.04 . 2 . . . . 138 LEU QD1 . 15851 1 1591 . 1 1 144 144 LEU HD12 H 1 1.077 0.04 . 2 . . . . 138 LEU QD1 . 15851 1 1592 . 1 1 144 144 LEU HD13 H 1 1.077 0.04 . 2 . . . . 138 LEU QD1 . 15851 1 1593 . 1 1 144 144 LEU HD21 H 1 1.085 0.04 . 2 . . . . 138 LEU QD2 . 15851 1 1594 . 1 1 144 144 LEU HD22 H 1 1.085 0.04 . 2 . . . . 138 LEU QD2 . 15851 1 1595 . 1 1 144 144 LEU HD23 H 1 1.085 0.04 . 2 . . . . 138 LEU QD2 . 15851 1 1596 . 1 1 144 144 LEU HG H 1 1.941 0.04 . 1 . . . . 138 LEU HG . 15851 1 1597 . 1 1 144 144 LEU C C 13 174.964 0.4 . 1 . . . . 138 LEU C . 15851 1 1598 . 1 1 144 144 LEU CA C 13 59.091 0.4 . 1 . . . . 138 LEU CA . 15851 1 1599 . 1 1 144 144 LEU CB C 13 42.763 0.4 . 1 . . . . 138 LEU CB . 15851 1 1600 . 1 1 144 144 LEU CD1 C 13 25.270 0.4 . 2 . . . . 138 LEU CD1 . 15851 1 1601 . 1 1 144 144 LEU CD2 C 13 26.165 0.4 . 2 . . . . 138 LEU CD2 . 15851 1 1602 . 1 1 144 144 LEU CG C 13 27.385 0.4 . 1 . . . . 138 LEU CG . 15851 1 1603 . 1 1 144 144 LEU N N 15 120.227 0.4 . 1 . . . . 138 LEU N . 15851 1 1604 . 1 1 145 145 ASP H H 1 7.917 0.04 . 1 . . . . 139 ASP H . 15851 1 1605 . 1 1 145 145 ASP HA H 1 4.603 0.04 . 1 . . . . 139 ASP HA . 15851 1 1606 . 1 1 145 145 ASP HB2 H 1 3.373 0.04 . 2 . . . . 139 ASP HB2 . 15851 1 1607 . 1 1 145 145 ASP HB3 H 1 3.140 0.04 . 2 . . . . 139 ASP HB3 . 15851 1 1608 . 1 1 145 145 ASP C C 13 177.943 0.4 . 1 . . . . 139 ASP C . 15851 1 1609 . 1 1 145 145 ASP CA C 13 57.208 0.4 . 1 . . . . 139 ASP CA . 15851 1 1610 . 1 1 145 145 ASP CB C 13 43.209 0.4 . 1 . . . . 139 ASP CB . 15851 1 1611 . 1 1 145 145 ASP N N 15 116.399 0.4 . 1 . . . . 139 ASP N . 15851 1 1612 . 1 1 146 146 THR H H 1 8.354 0.04 . 1 . . . . 140 THR H . 15851 1 1613 . 1 1 146 146 THR HA H 1 4.128 0.04 . 1 . . . . 140 THR HA . 15851 1 1614 . 1 1 146 146 THR HB H 1 4.141 0.04 . 1 . . . . 140 THR HB . 15851 1 1615 . 1 1 146 146 THR HG21 H 1 0.877 0.04 . 1 . . . . 140 THR QG2 . 15851 1 1616 . 1 1 146 146 THR HG22 H 1 0.877 0.04 . 1 . . . . 140 THR QG2 . 15851 1 1617 . 1 1 146 146 THR HG23 H 1 0.877 0.04 . 1 . . . . 140 THR QG2 . 15851 1 1618 . 1 1 146 146 THR C C 13 176.210 0.4 . 1 . . . . 140 THR C . 15851 1 1619 . 1 1 146 146 THR CA C 13 66.722 0.4 . 1 . . . . 140 THR CA . 15851 1 1620 . 1 1 146 146 THR CB C 13 69.422 0.4 . 1 . . . . 140 THR CB . 15851 1 1621 . 1 1 146 146 THR CG2 C 13 22.215 0.4 . 1 . . . . 140 THR CG2 . 15851 1 1622 . 1 1 146 146 THR N N 15 115.031 0.4 . 1 . . . . 140 THR N . 15851 1 1623 . 1 1 147 147 VAL H H 1 8.682 0.04 . 1 . . . . 141 VAL H . 15851 1 1624 . 1 1 147 147 VAL HA H 1 3.514 0.04 . 1 . . . . 141 VAL HA . 15851 1 1625 . 1 1 147 147 VAL HB H 1 1.857 0.04 . 1 . . . . 141 VAL HB . 15851 1 1626 . 1 1 147 147 VAL HG11 H 1 0.295 0.04 . 2 . . . . 141 VAL QG1 . 15851 1 1627 . 1 1 147 147 VAL HG12 H 1 0.295 0.04 . 2 . . . . 141 VAL QG1 . 15851 1 1628 . 1 1 147 147 VAL HG13 H 1 0.295 0.04 . 2 . . . . 141 VAL QG1 . 15851 1 1629 . 1 1 147 147 VAL HG21 H 1 0.260 0.04 . 2 . . . . 141 VAL QG2 . 15851 1 1630 . 1 1 147 147 VAL HG22 H 1 0.260 0.04 . 2 . . . . 141 VAL QG2 . 15851 1 1631 . 1 1 147 147 VAL HG23 H 1 0.260 0.04 . 2 . . . . 141 VAL QG2 . 15851 1 1632 . 1 1 147 147 VAL C C 13 176.362 0.4 . 1 . . . . 141 VAL C . 15851 1 1633 . 1 1 147 147 VAL CA C 13 65.989 0.4 . 1 . . . . 141 VAL CA . 15851 1 1634 . 1 1 147 147 VAL CB C 13 31.521 0.4 . 1 . . . . 141 VAL CB . 15851 1 1635 . 1 1 147 147 VAL CG1 C 13 23.460 0.4 . 2 . . . . 141 VAL CG1 . 15851 1 1636 . 1 1 147 147 VAL CG2 C 13 19.701 0.4 . 2 . . . . 141 VAL CG2 . 15851 1 1637 . 1 1 147 147 VAL N N 15 120.828 0.4 . 1 . . . . 141 VAL N . 15851 1 1638 . 1 1 148 148 LEU H H 1 7.529 0.04 . 1 . . . . 142 LEU H . 15851 1 1639 . 1 1 148 148 LEU HA H 1 3.912 0.04 . 1 . . . . 142 LEU HA . 15851 1 1640 . 1 1 148 148 LEU HB2 H 1 -0.106 0.04 . 2 . . . . 142 LEU HB2 . 15851 1 1641 . 1 1 148 148 LEU HB3 H 1 1.338 0.04 . 2 . . . . 142 LEU HB3 . 15851 1 1642 . 1 1 148 148 LEU HD11 H 1 0.699 0.04 . 2 . . . . 142 LEU QD1 . 15851 1 1643 . 1 1 148 148 LEU HD12 H 1 0.699 0.04 . 2 . . . . 142 LEU QD1 . 15851 1 1644 . 1 1 148 148 LEU HD13 H 1 0.699 0.04 . 2 . . . . 142 LEU QD1 . 15851 1 1645 . 1 1 148 148 LEU HD21 H 1 0.678 0.04 . 2 . . . . 142 LEU QD2 . 15851 1 1646 . 1 1 148 148 LEU HD22 H 1 0.678 0.04 . 2 . . . . 142 LEU QD2 . 15851 1 1647 . 1 1 148 148 LEU HD23 H 1 0.678 0.04 . 2 . . . . 142 LEU QD2 . 15851 1 1648 . 1 1 148 148 LEU HG H 1 1.593 0.04 . 1 . . . . 142 LEU HG . 15851 1 1649 . 1 1 148 148 LEU C C 13 178.521 0.4 . 1 . . . . 142 LEU C . 15851 1 1650 . 1 1 148 148 LEU CA C 13 56.899 0.4 . 1 . . . . 142 LEU CA . 15851 1 1651 . 1 1 148 148 LEU CB C 13 43.382 0.4 . 1 . . . . 142 LEU CB . 15851 1 1652 . 1 1 148 148 LEU CD1 C 13 23.281 0.4 . 2 . . . . 142 LEU CD1 . 15851 1 1653 . 1 1 148 148 LEU CD2 C 13 26.519 0.4 . 2 . . . . 142 LEU CD2 . 15851 1 1654 . 1 1 148 148 LEU CG C 13 26.834 0.4 . 1 . . . . 142 LEU CG . 15851 1 1655 . 1 1 148 148 LEU N N 15 114.758 0.4 . 1 . . . . 142 LEU N . 15851 1 1656 . 1 1 149 149 PHE H H 1 8.112 0.04 . 1 . . . . 143 PHE H . 15851 1 1657 . 1 1 149 149 PHE HA H 1 5.022 0.04 . 1 . . . . 143 PHE HA . 15851 1 1658 . 1 1 149 149 PHE HB2 H 1 3.399 0.04 . 2 . . . . 143 PHE HB2 . 15851 1 1659 . 1 1 149 149 PHE HB3 H 1 3.294 0.04 . 2 . . . . 143 PHE HB3 . 15851 1 1660 . 1 1 149 149 PHE HD1 H 1 7.577 0.04 . 3 . . . . 143 PHE QD . 15851 1 1661 . 1 1 149 149 PHE HD2 H 1 7.577 0.04 . 3 . . . . 143 PHE QD . 15851 1 1662 . 1 1 149 149 PHE HE1 H 1 7.345 0.04 . 3 . . . . 143 PHE QE . 15851 1 1663 . 1 1 149 149 PHE HE2 H 1 7.345 0.04 . 3 . . . . 143 PHE QE . 15851 1 1664 . 1 1 149 149 PHE C C 13 176.134 0.4 . 1 . . . . 143 PHE C . 15851 1 1665 . 1 1 149 149 PHE CA C 13 57.146 0.4 . 1 . . . . 143 PHE CA . 15851 1 1666 . 1 1 149 149 PHE CB C 13 39.747 0.4 . 1 . . . . 143 PHE CB . 15851 1 1667 . 1 1 149 149 PHE N N 15 113.281 0.4 . 1 . . . . 143 PHE N . 15851 1 1668 . 1 1 150 150 GLY H H 1 7.971 0.04 . 1 . . . . 144 GLY H . 15851 1 1669 . 1 1 150 150 GLY HA2 H 1 3.786 0.04 . 2 . . . . 144 GLY HA2 . 15851 1 1670 . 1 1 150 150 GLY HA3 H 1 3.974 0.04 . 2 . . . . 144 GLY HA3 . 15851 1 1671 . 1 1 150 150 GLY CA C 13 46.591 0.4 . 1 . . . . 144 GLY CA . 15851 1 1672 . 1 1 150 150 GLY N N 15 117.109 0.4 . 1 . . . . 144 GLY N . 15851 1 stop_ save_