data_6399 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6399 _Entry.Title ; 1H, 13C and 15N resonance assignments for the 24 kDa TPR domain in p67phox ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-23 _Entry.Accession_date 2004-11-24 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shinichi Yoshida . . . 6399 2 Kenji Ogura . . . 6399 3 Masashi Yokochi . . . 6399 4 Satoru Yuzawa . . . 6399 5 Masataka Horiuchi . . . 6399 6 Hiroshi Morioka . . . 6399 7 Hideki Sumimoto . . . 6399 8 Fuyuhiko Inagaki . . . 6399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 675 6399 '1H chemical shifts' 457 6399 '15N chemical shifts' 215 6399 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 1 . . 2005-07-26 2004-11-23 original author . 6399 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6399 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of the backbone and methyl groups of the 24 kDa tetratricopeptide repeat domain in p67phox ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 176 _Citation.Page_last 176 _Citation.Year 2005 _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 Shinichi Yoshida . . . 6399 1 2 Kenji Ogura . . . 6399 1 3 Masashi Yokochi . . . 6399 1 4 Satoru Yuzawa . . . 6399 1 5 Masataka Horiuchi . . . 6399 1 6 Hiroshi Morioka . . . 6399 1 7 Hideki Sumimoto . . . 6399 1 8 Fuyuhiko Inagaki . . . 6399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_TPR _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_TPR _Assembly.Entry_ID 6399 _Assembly.ID 1 _Assembly.Name 'TPR domain in p67phox' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 23944 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6399 1 stop_ 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 'TPR domain in p67phox' 1 $TPR_domain_in_p67phox . . . native . . . . . 6399 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SWISS_PROT P19878 . . . . . 'Neutrophil cytosol factor 2 (NCF-2) (Neutrophil NADPH oxidase factor 2).' 6399 1 . PDB 1E96 . . . . . 'X-ray Diffraction. Structure Of The Rac/P67Phox Complex.' 6399 1 . PDB 1HH8 . . . . . ; X-ray Diffraction. The Active N-Terminal Region Of P67Phox: Structure At 1.8 Angstrom Resolution. ; 6399 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TPR domain in p67phox' system 6399 1 'TPR domain in p67phox' abbreviation 6399 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'NADPH oxidase' 6399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TPR_domain_in_p67phox _Entity.Sf_category entity _Entity.Sf_framecode TPR_domain_in_p67phox _Entity.Entry_ID 6399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TPR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSMSLVEAISLWNEGVL AADKKDWKGALDAFSAVQDP HSRICFNIGCMYTILKNMTE AEKAFTRSINRDKHLAVAYF QRGMLYYQTEKYDLAIKDLK EALIQLRGNQLIDYKILGLQ FKLFACEVLYNIAFMYAKKE EWKKAEEQLALATSMKSEPR HSKIDKAMECVWKQKLYEPV VIPVGKLFRPNERQVAQLAK KDYLGKAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1E96 . "Structure Of The RacP67PHOX COMPLEX" . . . . . 97.60 203 100.00 100.00 3.29e-147 . . . . 6399 1 2 no PDB 1HH8 . "The Active N-Terminal Region Of P67phox: Structure At 1.8 Angstrom Resolution And Biochemical Characterizations Of The A128v Mu" . . . . . 97.60 213 99.51 100.00 3.85e-147 . . . . 6399 1 3 no PDB 1WM5 . "Crystal Structure Of The N-Terminal Tpr Domain (1-203) Of P67phox" . . . . . 100.00 208 100.00 100.00 2.68e-151 . . . . 6399 1 4 no DBJ BAD92884 . "neutrophil cytosol factor 2 variant [Homo sapiens]" . . . . . 97.60 598 100.00 100.00 4.67e-142 . . . . 6399 1 5 no DBJ BAG35548 . "unnamed protein product [Homo sapiens]" . . . . . 97.60 526 99.51 100.00 2.05e-143 . . . . 6399 1 6 no DBJ BAJ20290 . "neutrophil cytosolic factor 2 [synthetic construct]" . . . . . 97.60 526 99.51 100.00 1.72e-143 . . . . 6399 1 7 no EMBL CAH92976 . "hypothetical protein [Pongo abelii]" . . . . . 97.60 526 98.52 99.01 4.49e-142 . . . . 6399 1 8 no GB AAA36379 . "neutrophil oxidase factor [Homo sapiens]" . . . . . 97.60 526 100.00 100.00 1.05e-143 . . . . 6399 1 9 no GB AAB60320 . "neutrophil oxidase factor [Homo sapiens]" . . . . . 97.60 526 100.00 100.00 1.14e-143 . . . . 6399 1 10 no GB AAH01606 . "Neutrophil cytosolic factor 2 [Homo sapiens]" . . . . . 97.60 526 99.51 100.00 1.72e-143 . . . . 6399 1 11 no GB AAM89263 . "p67phox-like protein [Homo sapiens]" . . . . . 97.60 526 99.51 100.00 2.05e-143 . . . . 6399 1 12 no GB AAP36107 . "neutrophil cytosolic factor 2 (65kDa, chronic granulomatous disease, autosomal 2) [Homo sapiens]" . . . . . 97.60 526 99.51 100.00 1.72e-143 . . . . 6399 1 13 no REF NP_000424 . "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" . . . . . 97.60 526 100.00 100.00 1.14e-143 . . . . 6399 1 14 no REF NP_001121123 . "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" . . . . . 97.60 526 100.00 100.00 1.14e-143 . . . . 6399 1 15 no REF NP_001127613 . "neutrophil cytosol factor 2 [Pongo abelii]" . . . . . 97.60 526 98.52 99.01 4.49e-142 . . . . 6399 1 16 no REF XP_001114105 . "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Macaca mulatta]" . . . . . 97.60 492 98.03 99.51 1.81e-141 . . . . 6399 1 17 no REF XP_003264493 . "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Nomascus leucogenys]" . . . . . 97.60 526 97.04 99.01 9.50e-140 . . . . 6399 1 18 no SP P19878 . "RecName: Full=Neutrophil cytosol factor 2; Short=NCF-2; AltName: Full=67 kDa neutrophil oxidase factor; AltName: Full=NADPH oxi" . . . . . 97.60 526 100.00 100.00 1.14e-143 . . . . 6399 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TPR common 6399 1 TPR abbreviation 6399 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 -4 GLY . 6399 1 2 -3 ALA . 6399 1 3 -2 MET . 6399 1 4 -1 GLY . 6399 1 5 0 SER . 6399 1 6 1 MET . 6399 1 7 2 SER . 6399 1 8 3 LEU . 6399 1 9 4 VAL . 6399 1 10 5 GLU . 6399 1 11 6 ALA . 6399 1 12 7 ILE . 6399 1 13 8 SER . 6399 1 14 9 LEU . 6399 1 15 10 TRP . 6399 1 16 11 ASN . 6399 1 17 12 GLU . 6399 1 18 13 GLY . 6399 1 19 14 VAL . 6399 1 20 15 LEU . 6399 1 21 16 ALA . 6399 1 22 17 ALA . 6399 1 23 18 ASP . 6399 1 24 19 LYS . 6399 1 25 20 LYS . 6399 1 26 21 ASP . 6399 1 27 22 TRP . 6399 1 28 23 LYS . 6399 1 29 24 GLY . 6399 1 30 25 ALA . 6399 1 31 26 LEU . 6399 1 32 27 ASP . 6399 1 33 28 ALA . 6399 1 34 29 PHE . 6399 1 35 30 SER . 6399 1 36 31 ALA . 6399 1 37 32 VAL . 6399 1 38 33 GLN . 6399 1 39 34 ASP . 6399 1 40 35 PRO . 6399 1 41 36 HIS . 6399 1 42 37 SER . 6399 1 43 38 ARG . 6399 1 44 39 ILE . 6399 1 45 40 CYS . 6399 1 46 41 PHE . 6399 1 47 42 ASN . 6399 1 48 43 ILE . 6399 1 49 44 GLY . 6399 1 50 45 CYS . 6399 1 51 46 MET . 6399 1 52 47 TYR . 6399 1 53 48 THR . 6399 1 54 49 ILE . 6399 1 55 50 LEU . 6399 1 56 51 LYS . 6399 1 57 52 ASN . 6399 1 58 53 MET . 6399 1 59 54 THR . 6399 1 60 55 GLU . 6399 1 61 56 ALA . 6399 1 62 57 GLU . 6399 1 63 58 LYS . 6399 1 64 59 ALA . 6399 1 65 60 PHE . 6399 1 66 61 THR . 6399 1 67 62 ARG . 6399 1 68 63 SER . 6399 1 69 64 ILE . 6399 1 70 65 ASN . 6399 1 71 66 ARG . 6399 1 72 67 ASP . 6399 1 73 68 LYS . 6399 1 74 69 HIS . 6399 1 75 70 LEU . 6399 1 76 71 ALA . 6399 1 77 72 VAL . 6399 1 78 73 ALA . 6399 1 79 74 TYR . 6399 1 80 75 PHE . 6399 1 81 76 GLN . 6399 1 82 77 ARG . 6399 1 83 78 GLY . 6399 1 84 79 MET . 6399 1 85 80 LEU . 6399 1 86 81 TYR . 6399 1 87 82 TYR . 6399 1 88 83 GLN . 6399 1 89 84 THR . 6399 1 90 85 GLU . 6399 1 91 86 LYS . 6399 1 92 87 TYR . 6399 1 93 88 ASP . 6399 1 94 89 LEU . 6399 1 95 90 ALA . 6399 1 96 91 ILE . 6399 1 97 92 LYS . 6399 1 98 93 ASP . 6399 1 99 94 LEU . 6399 1 100 95 LYS . 6399 1 101 96 GLU . 6399 1 102 97 ALA . 6399 1 103 98 LEU . 6399 1 104 99 ILE . 6399 1 105 100 GLN . 6399 1 106 101 LEU . 6399 1 107 102 ARG . 6399 1 108 103 GLY . 6399 1 109 104 ASN . 6399 1 110 105 GLN . 6399 1 111 106 LEU . 6399 1 112 107 ILE . 6399 1 113 108 ASP . 6399 1 114 109 TYR . 6399 1 115 110 LYS . 6399 1 116 111 ILE . 6399 1 117 112 LEU . 6399 1 118 113 GLY . 6399 1 119 114 LEU . 6399 1 120 115 GLN . 6399 1 121 116 PHE . 6399 1 122 117 LYS . 6399 1 123 118 LEU . 6399 1 124 119 PHE . 6399 1 125 120 ALA . 6399 1 126 121 CYS . 6399 1 127 122 GLU . 6399 1 128 123 VAL . 6399 1 129 124 LEU . 6399 1 130 125 TYR . 6399 1 131 126 ASN . 6399 1 132 127 ILE . 6399 1 133 128 ALA . 6399 1 134 129 PHE . 6399 1 135 130 MET . 6399 1 136 131 TYR . 6399 1 137 132 ALA . 6399 1 138 133 LYS . 6399 1 139 134 LYS . 6399 1 140 135 GLU . 6399 1 141 136 GLU . 6399 1 142 137 TRP . 6399 1 143 138 LYS . 6399 1 144 139 LYS . 6399 1 145 140 ALA . 6399 1 146 141 GLU . 6399 1 147 142 GLU . 6399 1 148 143 GLN . 6399 1 149 144 LEU . 6399 1 150 145 ALA . 6399 1 151 146 LEU . 6399 1 152 147 ALA . 6399 1 153 148 THR . 6399 1 154 149 SER . 6399 1 155 150 MET . 6399 1 156 151 LYS . 6399 1 157 152 SER . 6399 1 158 153 GLU . 6399 1 159 154 PRO . 6399 1 160 155 ARG . 6399 1 161 156 HIS . 6399 1 162 157 SER . 6399 1 163 158 LYS . 6399 1 164 159 ILE . 6399 1 165 160 ASP . 6399 1 166 161 LYS . 6399 1 167 162 ALA . 6399 1 168 163 MET . 6399 1 169 164 GLU . 6399 1 170 165 CYS . 6399 1 171 166 VAL . 6399 1 172 167 TRP . 6399 1 173 168 LYS . 6399 1 174 169 GLN . 6399 1 175 170 LYS . 6399 1 176 171 LEU . 6399 1 177 172 TYR . 6399 1 178 173 GLU . 6399 1 179 174 PRO . 6399 1 180 175 VAL . 6399 1 181 176 VAL . 6399 1 182 177 ILE . 6399 1 183 178 PRO . 6399 1 184 179 VAL . 6399 1 185 180 GLY . 6399 1 186 181 LYS . 6399 1 187 182 LEU . 6399 1 188 183 PHE . 6399 1 189 184 ARG . 6399 1 190 185 PRO . 6399 1 191 186 ASN . 6399 1 192 187 GLU . 6399 1 193 188 ARG . 6399 1 194 189 GLN . 6399 1 195 190 VAL . 6399 1 196 191 ALA . 6399 1 197 192 GLN . 6399 1 198 193 LEU . 6399 1 199 194 ALA . 6399 1 200 195 LYS . 6399 1 201 196 LYS . 6399 1 202 197 ASP . 6399 1 203 198 TYR . 6399 1 204 199 LEU . 6399 1 205 200 GLY . 6399 1 206 201 LYS . 6399 1 207 202 ALA . 6399 1 208 203 THR . 6399 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 6399 1 . ALA 2 2 6399 1 . MET 3 3 6399 1 . GLY 4 4 6399 1 . SER 5 5 6399 1 . MET 6 6 6399 1 . SER 7 7 6399 1 . LEU 8 8 6399 1 . VAL 9 9 6399 1 . GLU 10 10 6399 1 . ALA 11 11 6399 1 . ILE 12 12 6399 1 . SER 13 13 6399 1 . LEU 14 14 6399 1 . TRP 15 15 6399 1 . ASN 16 16 6399 1 . GLU 17 17 6399 1 . GLY 18 18 6399 1 . VAL 19 19 6399 1 . LEU 20 20 6399 1 . ALA 21 21 6399 1 . ALA 22 22 6399 1 . ASP 23 23 6399 1 . LYS 24 24 6399 1 . LYS 25 25 6399 1 . ASP 26 26 6399 1 . TRP 27 27 6399 1 . LYS 28 28 6399 1 . GLY 29 29 6399 1 . ALA 30 30 6399 1 . LEU 31 31 6399 1 . ASP 32 32 6399 1 . ALA 33 33 6399 1 . PHE 34 34 6399 1 . SER 35 35 6399 1 . ALA 36 36 6399 1 . VAL 37 37 6399 1 . GLN 38 38 6399 1 . ASP 39 39 6399 1 . PRO 40 40 6399 1 . HIS 41 41 6399 1 . SER 42 42 6399 1 . ARG 43 43 6399 1 . ILE 44 44 6399 1 . CYS 45 45 6399 1 . PHE 46 46 6399 1 . ASN 47 47 6399 1 . ILE 48 48 6399 1 . GLY 49 49 6399 1 . CYS 50 50 6399 1 . MET 51 51 6399 1 . TYR 52 52 6399 1 . THR 53 53 6399 1 . ILE 54 54 6399 1 . LEU 55 55 6399 1 . LYS 56 56 6399 1 . ASN 57 57 6399 1 . MET 58 58 6399 1 . THR 59 59 6399 1 . GLU 60 60 6399 1 . ALA 61 61 6399 1 . GLU 62 62 6399 1 . LYS 63 63 6399 1 . ALA 64 64 6399 1 . PHE 65 65 6399 1 . THR 66 66 6399 1 . ARG 67 67 6399 1 . SER 68 68 6399 1 . ILE 69 69 6399 1 . ASN 70 70 6399 1 . ARG 71 71 6399 1 . ASP 72 72 6399 1 . LYS 73 73 6399 1 . HIS 74 74 6399 1 . LEU 75 75 6399 1 . ALA 76 76 6399 1 . VAL 77 77 6399 1 . ALA 78 78 6399 1 . TYR 79 79 6399 1 . PHE 80 80 6399 1 . GLN 81 81 6399 1 . ARG 82 82 6399 1 . GLY 83 83 6399 1 . MET 84 84 6399 1 . LEU 85 85 6399 1 . TYR 86 86 6399 1 . TYR 87 87 6399 1 . GLN 88 88 6399 1 . THR 89 89 6399 1 . GLU 90 90 6399 1 . LYS 91 91 6399 1 . TYR 92 92 6399 1 . ASP 93 93 6399 1 . LEU 94 94 6399 1 . ALA 95 95 6399 1 . ILE 96 96 6399 1 . LYS 97 97 6399 1 . ASP 98 98 6399 1 . LEU 99 99 6399 1 . LYS 100 100 6399 1 . GLU 101 101 6399 1 . ALA 102 102 6399 1 . LEU 103 103 6399 1 . ILE 104 104 6399 1 . GLN 105 105 6399 1 . LEU 106 106 6399 1 . ARG 107 107 6399 1 . GLY 108 108 6399 1 . ASN 109 109 6399 1 . GLN 110 110 6399 1 . LEU 111 111 6399 1 . ILE 112 112 6399 1 . ASP 113 113 6399 1 . TYR 114 114 6399 1 . LYS 115 115 6399 1 . ILE 116 116 6399 1 . LEU 117 117 6399 1 . GLY 118 118 6399 1 . LEU 119 119 6399 1 . GLN 120 120 6399 1 . PHE 121 121 6399 1 . LYS 122 122 6399 1 . LEU 123 123 6399 1 . PHE 124 124 6399 1 . ALA 125 125 6399 1 . CYS 126 126 6399 1 . GLU 127 127 6399 1 . VAL 128 128 6399 1 . LEU 129 129 6399 1 . TYR 130 130 6399 1 . ASN 131 131 6399 1 . ILE 132 132 6399 1 . ALA 133 133 6399 1 . PHE 134 134 6399 1 . MET 135 135 6399 1 . TYR 136 136 6399 1 . ALA 137 137 6399 1 . LYS 138 138 6399 1 . LYS 139 139 6399 1 . GLU 140 140 6399 1 . GLU 141 141 6399 1 . TRP 142 142 6399 1 . LYS 143 143 6399 1 . LYS 144 144 6399 1 . ALA 145 145 6399 1 . GLU 146 146 6399 1 . GLU 147 147 6399 1 . GLN 148 148 6399 1 . LEU 149 149 6399 1 . ALA 150 150 6399 1 . LEU 151 151 6399 1 . ALA 152 152 6399 1 . THR 153 153 6399 1 . SER 154 154 6399 1 . MET 155 155 6399 1 . LYS 156 156 6399 1 . SER 157 157 6399 1 . GLU 158 158 6399 1 . PRO 159 159 6399 1 . ARG 160 160 6399 1 . HIS 161 161 6399 1 . SER 162 162 6399 1 . LYS 163 163 6399 1 . ILE 164 164 6399 1 . ASP 165 165 6399 1 . LYS 166 166 6399 1 . ALA 167 167 6399 1 . MET 168 168 6399 1 . GLU 169 169 6399 1 . CYS 170 170 6399 1 . VAL 171 171 6399 1 . TRP 172 172 6399 1 . LYS 173 173 6399 1 . GLN 174 174 6399 1 . LYS 175 175 6399 1 . LEU 176 176 6399 1 . TYR 177 177 6399 1 . GLU 178 178 6399 1 . PRO 179 179 6399 1 . VAL 180 180 6399 1 . VAL 181 181 6399 1 . ILE 182 182 6399 1 . PRO 183 183 6399 1 . VAL 184 184 6399 1 . GLY 185 185 6399 1 . LYS 186 186 6399 1 . LEU 187 187 6399 1 . PHE 188 188 6399 1 . ARG 189 189 6399 1 . PRO 190 190 6399 1 . ASN 191 191 6399 1 . GLU 192 192 6399 1 . ARG 193 193 6399 1 . GLN 194 194 6399 1 . VAL 195 195 6399 1 . ALA 196 196 6399 1 . GLN 197 197 6399 1 . LEU 198 198 6399 1 . ALA 199 199 6399 1 . LYS 200 200 6399 1 . LYS 201 201 6399 1 . ASP 202 202 6399 1 . TYR 203 203 6399 1 . LEU 204 204 6399 1 . GLY 205 205 6399 1 . LYS 206 206 6399 1 . ALA 207 207 6399 1 . THR 208 208 6399 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6399 _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 $TPR_domain_in_p67phox . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . cytoplasm . . . NCF-2 . . . . 6399 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 6399 _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 $TPR_domain_in_p67phox . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pPROEX-HTb . . . . . . 6399 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6399 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform 2H/13C/15N-labeled sample.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TPR '[U-80%(fractional) 2H; U-98% 13C; U-98% 15N]' . . 1 $TPR_domain_in_p67phox . . 0.8 . . mM . . . . 6399 1 2 Na-Pi . . . . . . . 50 . . mM . . . . 6399 1 3 NaCl . . . . . . . 150 . . mM . . . . 6399 1 4 DTT . . . . . . . 1 . . mM . . . . 6399 1 5 MgCl2 . . . . . . . 10 . . mM . . . . 6399 1 6 EDTA . . . . . . . 0.5 . . mM . . . . 6399 1 7 H2O . . . . . . . 90 . . % . . . . 6399 1 8 D2O . . . . . . . 10 . . % . . . . 6399 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6399 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Val, Leu and Ile(d1) methyl 1H-, uniform 2H/13C/15N-labeled sample.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TPR '[NA-Val, Leu and Ile(d1) methyl; U-98% 2H; U-98% 13C; U-98% 15N]' . . 1 $TPR_domain_in_p67phox . . 0.7 . . mM . . . . 6399 2 2 Na-Pi . . . . . . . 50 . . mM . . . . 6399 2 3 NaCl . . . . . . . 150 . . mM . . . . 6399 2 4 DTT . . . . . . . 1 . . mM . . . . 6399 2 5 MgCl2 . . . . . . . 10 . . mM . . . . 6399 2 6 EDTA . . . . . . . 0.5 . . mM . . . . 6399 2 7 H2O . . . . . . . 90 . . % . . . . 6399 2 8 D2O . . . . . . . 10 . . % . . . . 6399 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6399 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 6399 1 temperature 298 0.1 K 6399 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6399 _Software.ID 1 _Software.Name NMRPipe/NMRDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6399 1 peak-pick 6399 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6399 _Software.ID 2 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi Masashi' . . 6399 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment works' 6399 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity-Plus or AS' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6399 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equiupped with cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model AS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6399 _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 600MHz_spectrometer Varian 'Unity-Plus or AS' . 600 . . . 6399 1 2 500MHz_spectrometer Varian AS . 500 'equiupped with cold probe' . . 6399 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 6399 _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' . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 2 '2D 1H-13C CT-HSQC' . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 3 HNCO . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 4 HN(CA)CO . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 5 HNCA . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 6 HN(CO)CA . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 7 HN(CA)CB . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 8 HN(COCA)CB . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 9 C(CO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 10 H(CCO)NH . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 11 H(C)CH-TOCSY . . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6399 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6399 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(C)CH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6399 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6399 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6399 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6399 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6399 1 . . 2 $sample_2 . 6399 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 2 2 ALA C C 13 177.977 0.008 . 1 . . . . . . . . 6399 1 2 . 1 1 2 2 ALA CA C 13 52.234 0.002 . 1 . . . . . . . . 6399 1 3 . 1 1 2 2 ALA CB C 13 18.630 0.035 . 1 . . . . . . . . 6399 1 4 . 1 1 3 3 MET H H 1 8.577 0.001 . 1 . . . . . . . . 6399 1 5 . 1 1 3 3 MET C C 13 176.820 0.014 . 1 . . . . . . . . 6399 1 6 . 1 1 3 3 MET CA C 13 55.311 0.002 . 1 . . . . . . . . 6399 1 7 . 1 1 3 3 MET CB C 13 31.905 0.007 . 1 . . . . . . . . 6399 1 8 . 1 1 3 3 MET N N 15 119.773 0.000 . 1 . . . . . . . . 6399 1 9 . 1 1 4 4 GLY H H 1 8.435 0.003 . 1 . . . . . . . . 6399 1 10 . 1 1 4 4 GLY C C 13 174.206 0.010 . 1 . . . . . . . . 6399 1 11 . 1 1 4 4 GLY CA C 13 44.915 0.001 . 1 . . . . . . . . 6399 1 12 . 1 1 4 4 GLY N N 15 110.310 0.000 . 1 . . . . . . . . 6399 1 13 . 1 1 5 5 SER H H 1 8.261 0.001 . 1 . . . . . . . . 6399 1 14 . 1 1 5 5 SER C C 13 174.567 0.016 . 1 . . . . . . . . 6399 1 15 . 1 1 5 5 SER CA C 13 58.030 0.002 . 1 . . . . . . . . 6399 1 16 . 1 1 5 5 SER CB C 13 63.847 0.013 . 1 . . . . . . . . 6399 1 17 . 1 1 5 5 SER N N 15 115.826 0.000 . 1 . . . . . . . . 6399 1 18 . 1 1 6 6 MET H H 1 8.447 0.001 . 1 . . . . . . . . 6399 1 19 . 1 1 6 6 MET C C 13 176.395 0.010 . 1 . . . . . . . . 6399 1 20 . 1 1 6 6 MET CA C 13 55.903 0.006 . 1 . . . . . . . . 6399 1 21 . 1 1 6 6 MET CB C 13 32.681 0.008 . 1 . . . . . . . . 6399 1 22 . 1 1 6 6 MET N N 15 123.285 0.000 . 1 . . . . . . . . 6399 1 23 . 1 1 7 7 SER H H 1 8.776 0.003 . 1 . . . . . . . . 6399 1 24 . 1 1 7 7 SER C C 13 175.223 0.005 . 1 . . . . . . . . 6399 1 25 . 1 1 7 7 SER CA C 13 58.161 0.002 . 1 . . . . . . . . 6399 1 26 . 1 1 7 7 SER CB C 13 64.194 0.070 . 1 . . . . . . . . 6399 1 27 . 1 1 7 7 SER N N 15 121.000 0.000 . 1 . . . . . . . . 6399 1 28 . 1 1 8 8 LEU H H 1 8.484 0.006 . 1 . . . . . . . . 6399 1 29 . 1 1 8 8 LEU HD11 H 1 1.063 0.014 . 1 . . . . . . . . 6399 1 30 . 1 1 8 8 LEU HD12 H 1 1.063 0.014 . 1 . . . . . . . . 6399 1 31 . 1 1 8 8 LEU HD13 H 1 1.063 0.014 . 1 . . . . . . . . 6399 1 32 . 1 1 8 8 LEU HD21 H 1 0.996 0.005 . 1 . . . . . . . . 6399 1 33 . 1 1 8 8 LEU HD22 H 1 0.996 0.005 . 1 . . . . . . . . 6399 1 34 . 1 1 8 8 LEU HD23 H 1 0.996 0.005 . 1 . . . . . . . . 6399 1 35 . 1 1 8 8 LEU C C 13 178.918 0.004 . 1 . . . . . . . . 6399 1 36 . 1 1 8 8 LEU CA C 13 57.282 0.003 . 1 . . . . . . . . 6399 1 37 . 1 1 8 8 LEU CB C 13 40.769 0.016 . 1 . . . . . . . . 6399 1 38 . 1 1 8 8 LEU CD1 C 13 24.232 0.026 . 1 . . . . . . . . 6399 1 39 . 1 1 8 8 LEU CD2 C 13 24.393 0.004 . 1 . . . . . . . . 6399 1 40 . 1 1 8 8 LEU N N 15 123.710 0.000 . 1 . . . . . . . . 6399 1 41 . 1 1 9 9 VAL H H 1 7.948 0.008 . 1 . . . . . . . . 6399 1 42 . 1 1 9 9 VAL HG11 H 1 1.071 0.015 . 1 . . . . . . . . 6399 1 43 . 1 1 9 9 VAL HG12 H 1 1.071 0.015 . 1 . . . . . . . . 6399 1 44 . 1 1 9 9 VAL HG13 H 1 1.071 0.015 . 1 . . . . . . . . 6399 1 45 . 1 1 9 9 VAL HG21 H 1 0.991 0.011 . 1 . . . . . . . . 6399 1 46 . 1 1 9 9 VAL HG22 H 1 0.991 0.011 . 1 . . . . . . . . 6399 1 47 . 1 1 9 9 VAL HG23 H 1 0.991 0.011 . 1 . . . . . . . . 6399 1 48 . 1 1 9 9 VAL C C 13 178.179 0.001 . 1 . . . . . . . . 6399 1 49 . 1 1 9 9 VAL CA C 13 65.358 0.005 . 1 . . . . . . . . 6399 1 50 . 1 1 9 9 VAL CB C 13 30.950 0.038 . 1 . . . . . . . . 6399 1 51 . 1 1 9 9 VAL CG1 C 13 22.164 0.027 . 1 . . . . . . . . 6399 1 52 . 1 1 9 9 VAL CG2 C 13 21.135 0.040 . 1 . . . . . . . . 6399 1 53 . 1 1 9 9 VAL N N 15 116.736 0.000 . 1 . . . . . . . . 6399 1 54 . 1 1 10 10 GLU H H 1 7.969 0.012 . 1 . . . . . . . . 6399 1 55 . 1 1 10 10 GLU C C 13 178.528 0.006 . 1 . . . . . . . . 6399 1 56 . 1 1 10 10 GLU CA C 13 58.845 0.006 . 1 . . . . . . . . 6399 1 57 . 1 1 10 10 GLU CB C 13 29.141 0.027 . 1 . . . . . . . . 6399 1 58 . 1 1 10 10 GLU N N 15 121.969 0.000 . 1 . . . . . . . . 6399 1 59 . 1 1 11 11 ALA H H 1 8.064 0.020 . 1 . . . . . . . . 6399 1 60 . 1 1 11 11 ALA C C 13 180.146 0.016 . 1 . . . . . . . . 6399 1 61 . 1 1 11 11 ALA CA C 13 55.214 0.005 . 1 . . . . . . . . 6399 1 62 . 1 1 11 11 ALA CB C 13 18.067 0.053 . 1 . . . . . . . . 6399 1 63 . 1 1 11 11 ALA N N 15 121.548 0.000 . 1 . . . . . . . . 6399 1 64 . 1 1 12 12 ILE H H 1 8.536 0.009 . 1 . . . . . . . . 6399 1 65 . 1 1 12 12 ILE HD11 H 1 0.972 0.010 . 1 . . . . . . . . 6399 1 66 . 1 1 12 12 ILE HD12 H 1 0.972 0.010 . 1 . . . . . . . . 6399 1 67 . 1 1 12 12 ILE HD13 H 1 0.972 0.010 . 1 . . . . . . . . 6399 1 68 . 1 1 12 12 ILE C C 13 178.039 0.008 . 1 . . . . . . . . 6399 1 69 . 1 1 12 12 ILE CA C 13 64.320 0.012 . 1 . . . . . . . . 6399 1 70 . 1 1 12 12 ILE CB C 13 36.303 0.057 . 1 . . . . . . . . 6399 1 71 . 1 1 12 12 ILE CD1 C 13 12.636 0.059 . 1 . . . . . . . . 6399 1 72 . 1 1 12 12 ILE N N 15 117.242 0.000 . 1 . . . . . . . . 6399 1 73 . 1 1 13 13 SER H H 1 8.323 0.007 . 1 . . . . . . . . 6399 1 74 . 1 1 13 13 SER C C 13 177.530 0.016 . 1 . . . . . . . . 6399 1 75 . 1 1 13 13 SER CA C 13 61.829 0.017 . 1 . . . . . . . . 6399 1 76 . 1 1 13 13 SER CB C 13 62.701 0.011 . 1 . . . . . . . . 6399 1 77 . 1 1 13 13 SER N N 15 116.097 0.000 . 1 . . . . . . . . 6399 1 78 . 1 1 14 14 LEU H H 1 8.021 0.007 . 1 . . . . . . . . 6399 1 79 . 1 1 14 14 LEU HD11 H 1 0.886 0.008 . 1 . . . . . . . . 6399 1 80 . 1 1 14 14 LEU HD12 H 1 0.886 0.008 . 1 . . . . . . . . 6399 1 81 . 1 1 14 14 LEU HD13 H 1 0.886 0.008 . 1 . . . . . . . . 6399 1 82 . 1 1 14 14 LEU HD21 H 1 0.957 0.008 . 1 . . . . . . . . 6399 1 83 . 1 1 14 14 LEU HD22 H 1 0.957 0.008 . 1 . . . . . . . . 6399 1 84 . 1 1 14 14 LEU HD23 H 1 0.957 0.008 . 1 . . . . . . . . 6399 1 85 . 1 1 14 14 LEU C C 13 178.926 0.008 . 1 . . . . . . . . 6399 1 86 . 1 1 14 14 LEU CA C 13 57.671 0.027 . 1 . . . . . . . . 6399 1 87 . 1 1 14 14 LEU CB C 13 41.442 0.018 . 1 . . . . . . . . 6399 1 88 . 1 1 14 14 LEU CD1 C 13 25.701 0.039 . 1 . . . . . . . . 6399 1 89 . 1 1 14 14 LEU CD2 C 13 22.017 0.062 . 1 . . . . . . . . 6399 1 90 . 1 1 14 14 LEU N N 15 123.074 0.000 . 1 . . . . . . . . 6399 1 91 . 1 1 15 15 TRP H H 1 8.540 0.007 . 1 . . . . . . . . 6399 1 92 . 1 1 15 15 TRP HE1 H 1 10.074 0.005 . 1 . . . . . . . . 6399 1 93 . 1 1 15 15 TRP C C 13 178.709 0.019 . 1 . . . . . . . . 6399 1 94 . 1 1 15 15 TRP CA C 13 58.510 0.007 . 1 . . . . . . . . 6399 1 95 . 1 1 15 15 TRP CB C 13 30.019 0.080 . 1 . . . . . . . . 6399 1 96 . 1 1 15 15 TRP N N 15 120.641 0.000 . 1 . . . . . . . . 6399 1 97 . 1 1 15 15 TRP NE1 N 15 125.056 0.000 . 1 . . . . . . . . 6399 1 98 . 1 1 16 16 ASN H H 1 8.941 0.004 . 1 . . . . . . . . 6399 1 99 . 1 1 16 16 ASN HD21 H 1 7.804 0.020 . 1 . . . . . . . . 6399 1 100 . 1 1 16 16 ASN HD22 H 1 6.690 0.006 . 1 . . . . . . . . 6399 1 101 . 1 1 16 16 ASN C C 13 176.316 0.016 . 1 . . . . . . . . 6399 1 102 . 1 1 16 16 ASN CA C 13 56.480 0.006 . 1 . . . . . . . . 6399 1 103 . 1 1 16 16 ASN CB C 13 38.961 0.004 . 1 . . . . . . . . 6399 1 104 . 1 1 16 16 ASN N N 15 116.688 0.000 . 1 . . . . . . . . 6399 1 105 . 1 1 16 16 ASN ND2 N 15 114.011 0.000 . 1 . . . . . . . . 6399 1 106 . 1 1 17 17 GLU H H 1 8.711 0.004 . 1 . . . . . . . . 6399 1 107 . 1 1 17 17 GLU C C 13 180.296 0.006 . 1 . . . . . . . . 6399 1 108 . 1 1 17 17 GLU CA C 13 59.057 0.009 . 1 . . . . . . . . 6399 1 109 . 1 1 17 17 GLU CB C 13 28.431 0.020 . 1 . . . . . . . . 6399 1 110 . 1 1 17 17 GLU N N 15 118.140 0.000 . 1 . . . . . . . . 6399 1 111 . 1 1 18 18 GLY H H 1 8.749 0.007 . 1 . . . . . . . . 6399 1 112 . 1 1 18 18 GLY C C 13 175.361 0.007 . 1 . . . . . . . . 6399 1 113 . 1 1 18 18 GLY CA C 13 47.898 0.008 . 1 . . . . . . . . 6399 1 114 . 1 1 18 18 GLY N N 15 106.480 0.000 . 1 . . . . . . . . 6399 1 115 . 1 1 19 19 VAL H H 1 8.267 0.006 . 1 . . . . . . . . 6399 1 116 . 1 1 19 19 VAL HG11 H 1 1.404 0.009 . 1 . . . . . . . . 6399 1 117 . 1 1 19 19 VAL HG12 H 1 1.404 0.009 . 1 . . . . . . . . 6399 1 118 . 1 1 19 19 VAL HG13 H 1 1.404 0.009 . 1 . . . . . . . . 6399 1 119 . 1 1 19 19 VAL HG21 H 1 1.397 0.008 . 1 . . . . . . . . 6399 1 120 . 1 1 19 19 VAL HG22 H 1 1.397 0.008 . 1 . . . . . . . . 6399 1 121 . 1 1 19 19 VAL HG23 H 1 1.397 0.008 . 1 . . . . . . . . 6399 1 122 . 1 1 19 19 VAL C C 13 177.439 0.012 . 1 . . . . . . . . 6399 1 123 . 1 1 19 19 VAL CA C 13 65.893 0.006 . 1 . . . . . . . . 6399 1 124 . 1 1 19 19 VAL CB C 13 30.240 0.028 . 1 . . . . . . . . 6399 1 125 . 1 1 19 19 VAL CG1 C 13 21.931 0.018 . 1 . . . . . . . . 6399 1 126 . 1 1 19 19 VAL CG2 C 13 23.195 0.057 . 1 . . . . . . . . 6399 1 127 . 1 1 19 19 VAL N N 15 118.315 0.000 . 1 . . . . . . . . 6399 1 128 . 1 1 20 20 LEU H H 1 8.227 0.010 . 1 . . . . . . . . 6399 1 129 . 1 1 20 20 LEU HD11 H 1 0.831 0.016 . 1 . . . . . . . . 6399 1 130 . 1 1 20 20 LEU HD12 H 1 0.831 0.016 . 1 . . . . . . . . 6399 1 131 . 1 1 20 20 LEU HD13 H 1 0.831 0.016 . 1 . . . . . . . . 6399 1 132 . 1 1 20 20 LEU HD21 H 1 0.790 0.016 . 1 . . . . . . . . 6399 1 133 . 1 1 20 20 LEU HD22 H 1 0.790 0.016 . 1 . . . . . . . . 6399 1 134 . 1 1 20 20 LEU HD23 H 1 0.790 0.016 . 1 . . . . . . . . 6399 1 135 . 1 1 20 20 LEU C C 13 180.663 0.003 . 1 . . . . . . . . 6399 1 136 . 1 1 20 20 LEU CA C 13 57.461 0.023 . 1 . . . . . . . . 6399 1 137 . 1 1 20 20 LEU CB C 13 40.063 0.012 . 1 . . . . . . . . 6399 1 138 . 1 1 20 20 LEU CD1 C 13 22.403 0.033 . 1 . . . . . . . . 6399 1 139 . 1 1 20 20 LEU CD2 C 13 25.405 0.041 . 1 . . . . . . . . 6399 1 140 . 1 1 20 20 LEU N N 15 121.160 0.000 . 1 . . . . . . . . 6399 1 141 . 1 1 21 21 ALA H H 1 7.847 0.011 . 1 . . . . . . . . 6399 1 142 . 1 1 21 21 ALA C C 13 180.349 0.003 . 1 . . . . . . . . 6399 1 143 . 1 1 21 21 ALA CA C 13 54.489 0.003 . 1 . . . . . . . . 6399 1 144 . 1 1 21 21 ALA CB C 13 15.508 0.024 . 1 . . . . . . . . 6399 1 145 . 1 1 21 21 ALA N N 15 121.737 0.000 . 1 . . . . . . . . 6399 1 146 . 1 1 22 22 ALA H H 1 8.251 0.003 . 1 . . . . . . . . 6399 1 147 . 1 1 22 22 ALA C C 13 181.634 0.005 . 1 . . . . . . . . 6399 1 148 . 1 1 22 22 ALA CA C 13 54.790 0.014 . 1 . . . . . . . . 6399 1 149 . 1 1 22 22 ALA CB C 13 17.408 0.016 . 1 . . . . . . . . 6399 1 150 . 1 1 22 22 ALA N N 15 122.764 0.000 . 1 . . . . . . . . 6399 1 151 . 1 1 23 23 ASP H H 1 8.616 0.006 . 1 . . . . . . . . 6399 1 152 . 1 1 23 23 ASP C C 13 177.792 0.002 . 1 . . . . . . . . 6399 1 153 . 1 1 23 23 ASP CA C 13 56.808 0.012 . 1 . . . . . . . . 6399 1 154 . 1 1 23 23 ASP CB C 13 39.348 0.034 . 1 . . . . . . . . 6399 1 155 . 1 1 23 23 ASP N N 15 121.347 0.000 . 1 . . . . . . . . 6399 1 156 . 1 1 24 24 LYS H H 1 7.092 0.005 . 1 . . . . . . . . 6399 1 157 . 1 1 24 24 LYS C C 13 175.680 0.016 . 1 . . . . . . . . 6399 1 158 . 1 1 24 24 LYS CA C 13 55.099 0.034 . 1 . . . . . . . . 6399 1 159 . 1 1 24 24 LYS CB C 13 31.177 0.031 . 1 . . . . . . . . 6399 1 160 . 1 1 24 24 LYS N N 15 117.212 0.000 . 1 . . . . . . . . 6399 1 161 . 1 1 25 25 LYS H H 1 7.807 0.004 . 1 . . . . . . . . 6399 1 162 . 1 1 25 25 LYS C C 13 173.847 0.002 . 1 . . . . . . . . 6399 1 163 . 1 1 25 25 LYS CA C 13 55.726 0.014 . 1 . . . . . . . . 6399 1 164 . 1 1 25 25 LYS CB C 13 27.226 0.013 . 1 . . . . . . . . 6399 1 165 . 1 1 25 25 LYS N N 15 114.716 0.000 . 1 . . . . . . . . 6399 1 166 . 1 1 26 26 ASP H H 1 7.623 0.008 . 1 . . . . . . . . 6399 1 167 . 1 1 26 26 ASP C C 13 175.945 0.000 . 1 . . . . . . . . 6399 1 168 . 1 1 26 26 ASP CA C 13 50.381 0.001 . 1 . . . . . . . . 6399 1 169 . 1 1 26 26 ASP CB C 13 37.831 0.012 . 1 . . . . . . . . 6399 1 170 . 1 1 26 26 ASP N N 15 118.299 0.000 . 1 . . . . . . . . 6399 1 171 . 1 1 27 27 TRP H H 1 6.832 0.004 . 1 . . . . . . . . 6399 1 172 . 1 1 27 27 TRP HE1 H 1 10.229 0.002 . 1 . . . . . . . . 6399 1 173 . 1 1 27 27 TRP C C 13 178.735 0.006 . 1 . . . . . . . . 6399 1 174 . 1 1 27 27 TRP CA C 13 57.145 0.022 . 1 . . . . . . . . 6399 1 175 . 1 1 27 27 TRP CB C 13 29.894 0.038 . 1 . . . . . . . . 6399 1 176 . 1 1 27 27 TRP N N 15 121.961 0.000 . 1 . . . . . . . . 6399 1 177 . 1 1 27 27 TRP NE1 N 15 129.558 0.000 . 1 . . . . . . . . 6399 1 178 . 1 1 28 28 LYS H H 1 8.530 0.006 . 1 . . . . . . . . 6399 1 179 . 1 1 28 28 LYS C C 13 178.053 0.009 . 1 . . . . . . . . 6399 1 180 . 1 1 28 28 LYS CA C 13 58.329 0.010 . 1 . . . . . . . . 6399 1 181 . 1 1 28 28 LYS CB C 13 31.293 0.065 . 1 . . . . . . . . 6399 1 182 . 1 1 28 28 LYS N N 15 116.764 0.000 . 1 . . . . . . . . 6399 1 183 . 1 1 29 29 GLY H H 1 7.993 0.004 . 1 . . . . . . . . 6399 1 184 . 1 1 29 29 GLY C C 13 177.122 0.011 . 1 . . . . . . . . 6399 1 185 . 1 1 29 29 GLY CA C 13 46.596 0.007 . 1 . . . . . . . . 6399 1 186 . 1 1 29 29 GLY N N 15 108.779 0.000 . 1 . . . . . . . . 6399 1 187 . 1 1 30 30 ALA H H 1 8.231 0.005 . 1 . . . . . . . . 6399 1 188 . 1 1 30 30 ALA C C 13 177.754 0.009 . 1 . . . . . . . . 6399 1 189 . 1 1 30 30 ALA CA C 13 54.636 0.001 . 1 . . . . . . . . 6399 1 190 . 1 1 30 30 ALA CB C 13 18.854 0.008 . 1 . . . . . . . . 6399 1 191 . 1 1 30 30 ALA N N 15 125.468 0.000 . 1 . . . . . . . . 6399 1 192 . 1 1 31 31 LEU H H 1 8.249 0.009 . 1 . . . . . . . . 6399 1 193 . 1 1 31 31 LEU HD11 H 1 0.248 0.004 . 1 . . . . . . . . 6399 1 194 . 1 1 31 31 LEU HD12 H 1 0.248 0.004 . 1 . . . . . . . . 6399 1 195 . 1 1 31 31 LEU HD13 H 1 0.248 0.004 . 1 . . . . . . . . 6399 1 196 . 1 1 31 31 LEU HD21 H 1 0.408 0.016 . 1 . . . . . . . . 6399 1 197 . 1 1 31 31 LEU HD22 H 1 0.408 0.016 . 1 . . . . . . . . 6399 1 198 . 1 1 31 31 LEU HD23 H 1 0.408 0.016 . 1 . . . . . . . . 6399 1 199 . 1 1 31 31 LEU C C 13 179.628 0.005 . 1 . . . . . . . . 6399 1 200 . 1 1 31 31 LEU CA C 13 57.921 0.002 . 1 . . . . . . . . 6399 1 201 . 1 1 31 31 LEU CB C 13 40.789 0.032 . 1 . . . . . . . . 6399 1 202 . 1 1 31 31 LEU CD1 C 13 23.157 0.038 . 1 . . . . . . . . 6399 1 203 . 1 1 31 31 LEU CD2 C 13 25.972 0.012 . 1 . . . . . . . . 6399 1 204 . 1 1 31 31 LEU N N 15 117.769 0.000 . 1 . . . . . . . . 6399 1 205 . 1 1 32 32 ASP H H 1 8.723 0.009 . 1 . . . . . . . . 6399 1 206 . 1 1 32 32 ASP C C 13 178.619 0.008 . 1 . . . . . . . . 6399 1 207 . 1 1 32 32 ASP CA C 13 57.022 0.003 . 1 . . . . . . . . 6399 1 208 . 1 1 32 32 ASP CB C 13 39.245 0.012 . 1 . . . . . . . . 6399 1 209 . 1 1 32 32 ASP N N 15 121.273 0.000 . 1 . . . . . . . . 6399 1 210 . 1 1 33 33 ALA H H 1 7.310 0.003 . 1 . . . . . . . . 6399 1 211 . 1 1 33 33 ALA C C 13 179.361 0.006 . 1 . . . . . . . . 6399 1 212 . 1 1 33 33 ALA CA C 13 54.719 0.017 . 1 . . . . . . . . 6399 1 213 . 1 1 33 33 ALA CB C 13 16.266 0.049 . 1 . . . . . . . . 6399 1 214 . 1 1 33 33 ALA N N 15 122.754 0.000 . 1 . . . . . . . . 6399 1 215 . 1 1 34 34 PHE H H 1 8.271 0.004 . 1 . . . . . . . . 6399 1 216 . 1 1 34 34 PHE C C 13 179.742 0.016 . 1 . . . . . . . . 6399 1 217 . 1 1 34 34 PHE CA C 13 57.635 0.006 . 1 . . . . . . . . 6399 1 218 . 1 1 34 34 PHE CB C 13 39.257 0.022 . 1 . . . . . . . . 6399 1 219 . 1 1 34 34 PHE N N 15 112.158 0.000 . 1 . . . . . . . . 6399 1 220 . 1 1 35 35 SER H H 1 8.770 0.005 . 1 . . . . . . . . 6399 1 221 . 1 1 35 35 SER C C 13 172.935 0.004 . 1 . . . . . . . . 6399 1 222 . 1 1 35 35 SER CA C 13 60.919 0.007 . 1 . . . . . . . . 6399 1 223 . 1 1 35 35 SER CB C 13 62.925 0.052 . 1 . . . . . . . . 6399 1 224 . 1 1 35 35 SER N N 15 112.214 0.000 . 1 . . . . . . . . 6399 1 225 . 1 1 36 36 ALA H H 1 7.301 0.006 . 1 . . . . . . . . 6399 1 226 . 1 1 36 36 ALA C C 13 177.809 0.003 . 1 . . . . . . . . 6399 1 227 . 1 1 36 36 ALA CA C 13 51.791 0.003 . 1 . . . . . . . . 6399 1 228 . 1 1 36 36 ALA CB C 13 18.472 0.018 . 1 . . . . . . . . 6399 1 229 . 1 1 36 36 ALA N N 15 122.069 0.000 . 1 . . . . . . . . 6399 1 230 . 1 1 37 37 VAL H H 1 7.066 0.005 . 1 . . . . . . . . 6399 1 231 . 1 1 37 37 VAL HG11 H 1 0.807 0.012 . 1 . . . . . . . . 6399 1 232 . 1 1 37 37 VAL HG12 H 1 0.807 0.012 . 1 . . . . . . . . 6399 1 233 . 1 1 37 37 VAL HG13 H 1 0.807 0.012 . 1 . . . . . . . . 6399 1 234 . 1 1 37 37 VAL HG21 H 1 1.240 0.010 . 1 . . . . . . . . 6399 1 235 . 1 1 37 37 VAL HG22 H 1 1.240 0.010 . 1 . . . . . . . . 6399 1 236 . 1 1 37 37 VAL HG23 H 1 1.240 0.010 . 1 . . . . . . . . 6399 1 237 . 1 1 37 37 VAL C C 13 176.473 0.013 . 1 . . . . . . . . 6399 1 238 . 1 1 37 37 VAL CA C 13 63.315 0.003 . 1 . . . . . . . . 6399 1 239 . 1 1 37 37 VAL CB C 13 31.225 0.029 . 1 . . . . . . . . 6399 1 240 . 1 1 37 37 VAL CG1 C 13 21.801 0.033 . 1 . . . . . . . . 6399 1 241 . 1 1 37 37 VAL CG2 C 13 23.254 0.019 . 1 . . . . . . . . 6399 1 242 . 1 1 37 37 VAL N N 15 119.119 0.000 . 1 . . . . . . . . 6399 1 243 . 1 1 38 38 GLN H H 1 8.250 0.010 . 1 . . . . . . . . 6399 1 244 . 1 1 38 38 GLN HE21 H 1 7.532 0.000 . 1 . . . . . . . . 6399 1 245 . 1 1 38 38 GLN HE22 H 1 6.908 0.000 . 1 . . . . . . . . 6399 1 246 . 1 1 38 38 GLN C C 13 175.256 0.000 . 1 . . . . . . . . 6399 1 247 . 1 1 38 38 GLN CA C 13 56.285 0.003 . 1 . . . . . . . . 6399 1 248 . 1 1 38 38 GLN CB C 13 28.527 0.013 . 1 . . . . . . . . 6399 1 249 . 1 1 38 38 GLN N N 15 129.512 0.000 . 1 . . . . . . . . 6399 1 250 . 1 1 38 38 GLN NE2 N 15 112.958 0.000 . 1 . . . . . . . . 6399 1 251 . 1 1 39 39 ASP H H 1 8.839 0.002 . 1 . . . . . . . . 6399 1 252 . 1 1 39 39 ASP CA C 13 52.959 0.000 . 1 . . . . . . . . 6399 1 253 . 1 1 39 39 ASP CB C 13 39.607 0.000 . 1 . . . . . . . . 6399 1 254 . 1 1 39 39 ASP N N 15 119.887 0.000 . 1 . . . . . . . . 6399 1 255 . 1 1 40 40 PRO C C 13 176.489 0.014 . 1 . . . . . . . . 6399 1 256 . 1 1 40 40 PRO CA C 13 62.067 0.007 . 1 . . . . . . . . 6399 1 257 . 1 1 40 40 PRO CB C 13 31.274 0.000 . 1 . . . . . . . . 6399 1 258 . 1 1 41 41 HIS H H 1 6.810 0.024 . 1 . . . . . . . . 6399 1 259 . 1 1 41 41 HIS C C 13 177.243 0.014 . 1 . . . . . . . . 6399 1 260 . 1 1 41 41 HIS CA C 13 53.250 0.003 . 1 . . . . . . . . 6399 1 261 . 1 1 41 41 HIS CB C 13 30.431 0.035 . 1 . . . . . . . . 6399 1 262 . 1 1 41 41 HIS N N 15 116.146 0.000 . 1 . . . . . . . . 6399 1 263 . 1 1 42 42 SER H H 1 9.292 0.003 . 1 . . . . . . . . 6399 1 264 . 1 1 42 42 SER C C 13 177.595 0.000 . 1 . . . . . . . . 6399 1 265 . 1 1 42 42 SER CA C 13 62.814 0.008 . 1 . . . . . . . . 6399 1 266 . 1 1 42 42 SER N N 15 115.702 0.000 . 1 . . . . . . . . 6399 1 267 . 1 1 43 43 ARG H H 1 8.409 0.008 . 1 . . . . . . . . 6399 1 268 . 1 1 43 43 ARG C C 13 177.766 0.018 . 1 . . . . . . . . 6399 1 269 . 1 1 43 43 ARG CA C 13 59.179 0.027 . 1 . . . . . . . . 6399 1 270 . 1 1 43 43 ARG CB C 13 28.797 0.044 . 1 . . . . . . . . 6399 1 271 . 1 1 43 43 ARG N N 15 121.714 0.000 . 1 . . . . . . . . 6399 1 272 . 1 1 44 44 ILE H H 1 6.892 0.008 . 1 . . . . . . . . 6399 1 273 . 1 1 44 44 ILE HD11 H 1 -0.091 0.005 . 1 . . . . . . . . 6399 1 274 . 1 1 44 44 ILE HD12 H 1 -0.091 0.005 . 1 . . . . . . . . 6399 1 275 . 1 1 44 44 ILE HD13 H 1 -0.091 0.005 . 1 . . . . . . . . 6399 1 276 . 1 1 44 44 ILE C C 13 178.093 0.003 . 1 . . . . . . . . 6399 1 277 . 1 1 44 44 ILE CA C 13 63.868 0.002 . 1 . . . . . . . . 6399 1 278 . 1 1 44 44 ILE CB C 13 35.211 0.022 . 1 . . . . . . . . 6399 1 279 . 1 1 44 44 ILE CD1 C 13 10.724 0.065 . 1 . . . . . . . . 6399 1 280 . 1 1 44 44 ILE N N 15 118.856 0.000 . 1 . . . . . . . . 6399 1 281 . 1 1 45 45 CYS H H 1 7.843 0.007 . 1 . . . . . . . . 6399 1 282 . 1 1 45 45 CYS C C 13 175.740 0.006 . 1 . . . . . . . . 6399 1 283 . 1 1 45 45 CYS CA C 13 64.169 0.016 . 1 . . . . . . . . 6399 1 284 . 1 1 45 45 CYS CB C 13 25.636 0.014 . 1 . . . . . . . . 6399 1 285 . 1 1 45 45 CYS N N 15 117.135 0.000 . 1 . . . . . . . . 6399 1 286 . 1 1 46 46 PHE H H 1 8.000 0.010 . 1 . . . . . . . . 6399 1 287 . 1 1 46 46 PHE C C 13 176.678 0.019 . 1 . . . . . . . . 6399 1 288 . 1 1 46 46 PHE CA C 13 60.906 0.006 . 1 . . . . . . . . 6399 1 289 . 1 1 46 46 PHE CB C 13 38.017 0.059 . 1 . . . . . . . . 6399 1 290 . 1 1 46 46 PHE N N 15 119.413 0.000 . 1 . . . . . . . . 6399 1 291 . 1 1 47 47 ASN H H 1 7.779 0.015 . 1 . . . . . . . . 6399 1 292 . 1 1 47 47 ASN C C 13 177.600 0.006 . 1 . . . . . . . . 6399 1 293 . 1 1 47 47 ASN CA C 13 55.313 0.007 . 1 . . . . . . . . 6399 1 294 . 1 1 47 47 ASN CB C 13 35.812 0.041 . 1 . . . . . . . . 6399 1 295 . 1 1 47 47 ASN N N 15 120.993 0.000 . 1 . . . . . . . . 6399 1 296 . 1 1 48 48 ILE H H 1 8.156 0.003 . 1 . . . . . . . . 6399 1 297 . 1 1 48 48 ILE HD11 H 1 0.702 0.012 . 1 . . . . . . . . 6399 1 298 . 1 1 48 48 ILE HD12 H 1 0.702 0.012 . 1 . . . . . . . . 6399 1 299 . 1 1 48 48 ILE HD13 H 1 0.702 0.012 . 1 . . . . . . . . 6399 1 300 . 1 1 48 48 ILE C C 13 177.511 0.008 . 1 . . . . . . . . 6399 1 301 . 1 1 48 48 ILE CA C 13 66.351 0.008 . 1 . . . . . . . . 6399 1 302 . 1 1 48 48 ILE CB C 13 37.193 0.026 . 1 . . . . . . . . 6399 1 303 . 1 1 48 48 ILE CD1 C 13 13.138 0.082 . 1 . . . . . . . . 6399 1 304 . 1 1 48 48 ILE N N 15 121.097 0.000 . 1 . . . . . . . . 6399 1 305 . 1 1 49 49 GLY H H 1 7.911 0.010 . 1 . . . . . . . . 6399 1 306 . 1 1 49 49 GLY C C 13 177.027 0.013 . 1 . . . . . . . . 6399 1 307 . 1 1 49 49 GLY CA C 13 47.712 0.007 . 1 . . . . . . . . 6399 1 308 . 1 1 49 49 GLY N N 15 107.181 0.000 . 1 . . . . . . . . 6399 1 309 . 1 1 50 50 CYS H H 1 7.989 0.012 . 1 . . . . . . . . 6399 1 310 . 1 1 50 50 CYS CA C 13 63.698 0.000 . 1 . . . . . . . . 6399 1 311 . 1 1 50 50 CYS CB C 13 26.717 0.000 . 1 . . . . . . . . 6399 1 312 . 1 1 50 50 CYS N N 15 121.844 0.000 . 1 . . . . . . . . 6399 1 313 . 1 1 51 51 MET C C 13 178.136 0.000 . 1 . . . . . . . . 6399 1 314 . 1 1 51 51 MET CB C 13 35.030 0.000 . 1 . . . . . . . . 6399 1 315 . 1 1 52 52 TYR H H 1 8.519 0.012 . 1 . . . . . . . . 6399 1 316 . 1 1 52 52 TYR C C 13 177.785 0.005 . 1 . . . . . . . . 6399 1 317 . 1 1 52 52 TYR CA C 13 61.964 0.030 . 1 . . . . . . . . 6399 1 318 . 1 1 52 52 TYR CB C 13 36.819 0.053 . 1 . . . . . . . . 6399 1 319 . 1 1 52 52 TYR N N 15 116.815 0.000 . 1 . . . . . . . . 6399 1 320 . 1 1 53 53 THR H H 1 7.728 0.005 . 1 . . . . . . . . 6399 1 321 . 1 1 53 53 THR C C 13 177.849 0.011 . 1 . . . . . . . . 6399 1 322 . 1 1 53 53 THR CA C 13 67.105 0.037 . 1 . . . . . . . . 6399 1 323 . 1 1 53 53 THR CB C 13 67.896 0.023 . 1 . . . . . . . . 6399 1 324 . 1 1 53 53 THR N N 15 114.238 0.000 . 1 . . . . . . . . 6399 1 325 . 1 1 54 54 ILE H H 1 7.316 0.007 . 1 . . . . . . . . 6399 1 326 . 1 1 54 54 ILE HD11 H 1 -0.011 0.007 . 1 . . . . . . . . 6399 1 327 . 1 1 54 54 ILE HD12 H 1 -0.011 0.007 . 1 . . . . . . . . 6399 1 328 . 1 1 54 54 ILE HD13 H 1 -0.011 0.007 . 1 . . . . . . . . 6399 1 329 . 1 1 54 54 ILE C C 13 177.531 0.005 . 1 . . . . . . . . 6399 1 330 . 1 1 54 54 ILE CA C 13 63.535 0.009 . 1 . . . . . . . . 6399 1 331 . 1 1 54 54 ILE CB C 13 37.471 0.020 . 1 . . . . . . . . 6399 1 332 . 1 1 54 54 ILE CD1 C 13 13.529 0.091 . 1 . . . . . . . . 6399 1 333 . 1 1 54 54 ILE N N 15 124.664 0.000 . 1 . . . . . . . . 6399 1 334 . 1 1 55 55 LEU H H 1 7.501 0.007 . 1 . . . . . . . . 6399 1 335 . 1 1 55 55 LEU HD11 H 1 1.009 0.008 . 1 . . . . . . . . 6399 1 336 . 1 1 55 55 LEU HD12 H 1 1.009 0.008 . 1 . . . . . . . . 6399 1 337 . 1 1 55 55 LEU HD13 H 1 1.009 0.008 . 1 . . . . . . . . 6399 1 338 . 1 1 55 55 LEU HD21 H 1 0.710 0.006 . 1 . . . . . . . . 6399 1 339 . 1 1 55 55 LEU HD22 H 1 0.710 0.006 . 1 . . . . . . . . 6399 1 340 . 1 1 55 55 LEU HD23 H 1 0.710 0.006 . 1 . . . . . . . . 6399 1 341 . 1 1 55 55 LEU C C 13 175.553 0.012 . 1 . . . . . . . . 6399 1 342 . 1 1 55 55 LEU CA C 13 54.849 0.008 . 1 . . . . . . . . 6399 1 343 . 1 1 55 55 LEU CB C 13 40.337 0.007 . 1 . . . . . . . . 6399 1 344 . 1 1 55 55 LEU CD1 C 13 22.415 0.017 . 1 . . . . . . . . 6399 1 345 . 1 1 55 55 LEU CD2 C 13 25.884 0.021 . 1 . . . . . . . . 6399 1 346 . 1 1 55 55 LEU N N 15 118.650 0.000 . 1 . . . . . . . . 6399 1 347 . 1 1 56 56 LYS H H 1 7.729 0.009 . 1 . . . . . . . . 6399 1 348 . 1 1 56 56 LYS C C 13 175.043 0.000 . 1 . . . . . . . . 6399 1 349 . 1 1 56 56 LYS CA C 13 56.997 0.007 . 1 . . . . . . . . 6399 1 350 . 1 1 56 56 LYS CB C 13 27.710 0.022 . 1 . . . . . . . . 6399 1 351 . 1 1 56 56 LYS N N 15 114.240 0.000 . 1 . . . . . . . . 6399 1 352 . 1 1 57 57 ASN H H 1 8.461 0.007 . 1 . . . . . . . . 6399 1 353 . 1 1 57 57 ASN HD21 H 1 7.793 0.000 . 1 . . . . . . . . 6399 1 354 . 1 1 57 57 ASN HD22 H 1 6.776 0.010 . 1 . . . . . . . . 6399 1 355 . 1 1 57 57 ASN C C 13 175.258 0.000 . 1 . . . . . . . . 6399 1 356 . 1 1 57 57 ASN CA C 13 50.493 0.001 . 1 . . . . . . . . 6399 1 357 . 1 1 57 57 ASN CB C 13 36.644 0.010 . 1 . . . . . . . . 6399 1 358 . 1 1 57 57 ASN N N 15 118.902 0.000 . 1 . . . . . . . . 6399 1 359 . 1 1 57 57 ASN ND2 N 15 112.676 0.000 . 1 . . . . . . . . 6399 1 360 . 1 1 58 58 MET H H 1 8.184 0.005 . 1 . . . . . . . . 6399 1 361 . 1 1 58 58 MET C C 13 179.891 0.007 . 1 . . . . . . . . 6399 1 362 . 1 1 58 58 MET CA C 13 56.801 0.004 . 1 . . . . . . . . 6399 1 363 . 1 1 58 58 MET CB C 13 30.192 0.023 . 1 . . . . . . . . 6399 1 364 . 1 1 58 58 MET N N 15 118.892 0.000 . 1 . . . . . . . . 6399 1 365 . 1 1 59 59 THR H H 1 8.291 0.009 . 1 . . . . . . . . 6399 1 366 . 1 1 59 59 THR C C 13 177.152 0.006 . 1 . . . . . . . . 6399 1 367 . 1 1 59 59 THR CA C 13 65.445 0.004 . 1 . . . . . . . . 6399 1 368 . 1 1 59 59 THR CB C 13 67.754 0.016 . 1 . . . . . . . . 6399 1 369 . 1 1 59 59 THR N N 15 116.499 0.000 . 1 . . . . . . . . 6399 1 370 . 1 1 60 60 GLU H H 1 7.184 0.008 . 1 . . . . . . . . 6399 1 371 . 1 1 60 60 GLU C C 13 179.742 0.014 . 1 . . . . . . . . 6399 1 372 . 1 1 60 60 GLU CA C 13 57.374 0.004 . 1 . . . . . . . . 6399 1 373 . 1 1 60 60 GLU CB C 13 24.405 0.007 . 1 . . . . . . . . 6399 1 374 . 1 1 60 60 GLU N N 15 119.456 0.000 . 1 . . . . . . . . 6399 1 375 . 1 1 61 61 ALA H H 1 7.931 0.010 . 1 . . . . . . . . 6399 1 376 . 1 1 61 61 ALA C C 13 177.519 0.014 . 1 . . . . . . . . 6399 1 377 . 1 1 61 61 ALA CA C 13 55.503 0.001 . 1 . . . . . . . . 6399 1 378 . 1 1 61 61 ALA CB C 13 18.179 0.086 . 1 . . . . . . . . 6399 1 379 . 1 1 61 61 ALA N N 15 122.371 0.000 . 1 . . . . . . . . 6399 1 380 . 1 1 62 62 GLU H H 1 7.757 0.010 . 1 . . . . . . . . 6399 1 381 . 1 1 62 62 GLU C C 13 179.055 0.004 . 1 . . . . . . . . 6399 1 382 . 1 1 62 62 GLU CA C 13 60.028 0.005 . 1 . . . . . . . . 6399 1 383 . 1 1 62 62 GLU CB C 13 28.233 0.022 . 1 . . . . . . . . 6399 1 384 . 1 1 62 62 GLU N N 15 118.074 0.000 . 1 . . . . . . . . 6399 1 385 . 1 1 63 63 LYS H H 1 7.584 0.006 . 1 . . . . . . . . 6399 1 386 . 1 1 63 63 LYS C C 13 178.889 0.009 . 1 . . . . . . . . 6399 1 387 . 1 1 63 63 LYS CA C 13 59.281 0.004 . 1 . . . . . . . . 6399 1 388 . 1 1 63 63 LYS CB C 13 31.676 0.015 . 1 . . . . . . . . 6399 1 389 . 1 1 63 63 LYS N N 15 119.114 0.000 . 1 . . . . . . . . 6399 1 390 . 1 1 64 64 ALA H H 1 7.785 0.017 . 1 . . . . . . . . 6399 1 391 . 1 1 64 64 ALA C C 13 180.019 0.023 . 1 . . . . . . . . 6399 1 392 . 1 1 64 64 ALA CA C 13 54.889 0.009 . 1 . . . . . . . . 6399 1 393 . 1 1 64 64 ALA CB C 13 16.639 0.035 . 1 . . . . . . . . 6399 1 394 . 1 1 64 64 ALA N N 15 122.303 0.000 . 1 . . . . . . . . 6399 1 395 . 1 1 65 65 PHE H H 1 8.239 0.008 . 1 . . . . . . . . 6399 1 396 . 1 1 65 65 PHE C C 13 178.349 0.001 . 1 . . . . . . . . 6399 1 397 . 1 1 65 65 PHE CA C 13 60.512 0.019 . 1 . . . . . . . . 6399 1 398 . 1 1 65 65 PHE CB C 13 37.678 0.067 . 1 . . . . . . . . 6399 1 399 . 1 1 65 65 PHE N N 15 115.403 0.000 . 1 . . . . . . . . 6399 1 400 . 1 1 66 66 THR H H 1 8.502 0.005 . 1 . . . . . . . . 6399 1 401 . 1 1 66 66 THR C C 13 175.234 0.000 . 1 . . . . . . . . 6399 1 402 . 1 1 66 66 THR CA C 13 66.804 0.012 . 1 . . . . . . . . 6399 1 403 . 1 1 66 66 THR CB C 13 67.600 0.092 . 1 . . . . . . . . 6399 1 404 . 1 1 66 66 THR N N 15 118.174 0.000 . 1 . . . . . . . . 6399 1 405 . 1 1 67 67 ARG H H 1 8.116 0.009 . 1 . . . . . . . . 6399 1 406 . 1 1 67 67 ARG C C 13 178.408 0.011 . 1 . . . . . . . . 6399 1 407 . 1 1 67 67 ARG CA C 13 59.697 0.004 . 1 . . . . . . . . 6399 1 408 . 1 1 67 67 ARG CB C 13 29.500 0.008 . 1 . . . . . . . . 6399 1 409 . 1 1 67 67 ARG N N 15 122.284 0.000 . 1 . . . . . . . . 6399 1 410 . 1 1 68 68 SER H H 1 7.870 0.006 . 1 . . . . . . . . 6399 1 411 . 1 1 68 68 SER CA C 13 62.538 0.007 . 1 . . . . . . . . 6399 1 412 . 1 1 68 68 SER CB C 13 63.533 0.063 . 1 . . . . . . . . 6399 1 413 . 1 1 68 68 SER N N 15 112.925 0.000 . 1 . . . . . . . . 6399 1 414 . 1 1 69 69 ILE H H 1 7.706 0.006 . 1 . . . . . . . . 6399 1 415 . 1 1 69 69 ILE HD11 H 1 0.228 0.017 . 1 . . . . . . . . 6399 1 416 . 1 1 69 69 ILE HD12 H 1 0.228 0.017 . 1 . . . . . . . . 6399 1 417 . 1 1 69 69 ILE HD13 H 1 0.228 0.017 . 1 . . . . . . . . 6399 1 418 . 1 1 69 69 ILE C C 13 177.118 0.000 . 1 . . . . . . . . 6399 1 419 . 1 1 69 69 ILE CA C 13 63.567 0.004 . 1 . . . . . . . . 6399 1 420 . 1 1 69 69 ILE CB C 13 38.351 0.032 . 1 . . . . . . . . 6399 1 421 . 1 1 69 69 ILE CD1 C 13 13.149 0.068 . 1 . . . . . . . . 6399 1 422 . 1 1 69 69 ILE N N 15 120.622 0.000 . 1 . . . . . . . . 6399 1 423 . 1 1 70 70 ASN H H 1 8.310 0.005 . 1 . . . . . . . . 6399 1 424 . 1 1 70 70 ASN HD21 H 1 7.482 0.009 . 1 . . . . . . . . 6399 1 425 . 1 1 70 70 ASN HD22 H 1 6.896 0.013 . 1 . . . . . . . . 6399 1 426 . 1 1 70 70 ASN C C 13 178.357 0.022 . 1 . . . . . . . . 6399 1 427 . 1 1 70 70 ASN CA C 13 55.121 0.003 . 1 . . . . . . . . 6399 1 428 . 1 1 70 70 ASN CB C 13 37.748 0.013 . 1 . . . . . . . . 6399 1 429 . 1 1 70 70 ASN N N 15 115.212 0.000 . 1 . . . . . . . . 6399 1 430 . 1 1 70 70 ASN ND2 N 15 111.751 0.000 . 1 . . . . . . . . 6399 1 431 . 1 1 71 71 ARG H H 1 7.741 0.009 . 1 . . . . . . . . 6399 1 432 . 1 1 71 71 ARG C C 13 176.574 0.001 . 1 . . . . . . . . 6399 1 433 . 1 1 71 71 ARG CA C 13 56.489 0.006 . 1 . . . . . . . . 6399 1 434 . 1 1 71 71 ARG CB C 13 29.360 0.010 . 1 . . . . . . . . 6399 1 435 . 1 1 71 71 ARG N N 15 117.305 0.000 . 1 . . . . . . . . 6399 1 436 . 1 1 72 72 ASP H H 1 7.706 0.013 . 1 . . . . . . . . 6399 1 437 . 1 1 72 72 ASP C C 13 174.111 0.000 . 1 . . . . . . . . 6399 1 438 . 1 1 72 72 ASP CA C 13 53.907 0.006 . 1 . . . . . . . . 6399 1 439 . 1 1 72 72 ASP CB C 13 39.925 0.031 . 1 . . . . . . . . 6399 1 440 . 1 1 72 72 ASP N N 15 120.657 0.000 . 1 . . . . . . . . 6399 1 441 . 1 1 73 73 LYS H H 1 8.299 0.012 . 1 . . . . . . . . 6399 1 442 . 1 1 73 73 LYS C C 13 178.072 0.023 . 1 . . . . . . . . 6399 1 443 . 1 1 73 73 LYS CA C 13 57.156 0.010 . 1 . . . . . . . . 6399 1 444 . 1 1 73 73 LYS CB C 13 31.353 0.024 . 1 . . . . . . . . 6399 1 445 . 1 1 73 73 LYS N N 15 122.095 0.000 . 1 . . . . . . . . 6399 1 446 . 1 1 74 74 HIS H H 1 8.213 0.015 . 1 . . . . . . . . 6399 1 447 . 1 1 74 74 HIS C C 13 175.014 0.019 . 1 . . . . . . . . 6399 1 448 . 1 1 74 74 HIS CA C 13 53.277 0.003 . 1 . . . . . . . . 6399 1 449 . 1 1 74 74 HIS CB C 13 28.204 0.018 . 1 . . . . . . . . 6399 1 450 . 1 1 74 74 HIS N N 15 115.051 0.000 . 1 . . . . . . . . 6399 1 451 . 1 1 75 75 LEU H H 1 7.680 0.006 . 1 . . . . . . . . 6399 1 452 . 1 1 75 75 LEU HD11 H 1 0.666 0.009 . 1 . . . . . . . . 6399 1 453 . 1 1 75 75 LEU HD12 H 1 0.666 0.009 . 1 . . . . . . . . 6399 1 454 . 1 1 75 75 LEU HD13 H 1 0.666 0.009 . 1 . . . . . . . . 6399 1 455 . 1 1 75 75 LEU HD21 H 1 0.997 0.012 . 1 . . . . . . . . 6399 1 456 . 1 1 75 75 LEU HD22 H 1 0.997 0.012 . 1 . . . . . . . . 6399 1 457 . 1 1 75 75 LEU HD23 H 1 0.997 0.012 . 1 . . . . . . . . 6399 1 458 . 1 1 75 75 LEU C C 13 176.375 0.005 . 1 . . . . . . . . 6399 1 459 . 1 1 75 75 LEU CA C 13 53.917 0.006 . 1 . . . . . . . . 6399 1 460 . 1 1 75 75 LEU CB C 13 38.070 0.014 . 1 . . . . . . . . 6399 1 461 . 1 1 75 75 LEU CD1 C 13 24.752 0.054 . 1 . . . . . . . . 6399 1 462 . 1 1 75 75 LEU CD2 C 13 23.289 0.057 . 1 . . . . . . . . 6399 1 463 . 1 1 75 75 LEU N N 15 122.978 0.000 . 1 . . . . . . . . 6399 1 464 . 1 1 76 76 ALA H H 1 8.303 0.010 . 1 . . . . . . . . 6399 1 465 . 1 1 76 76 ALA C C 13 179.647 0.006 . 1 . . . . . . . . 6399 1 466 . 1 1 76 76 ALA CA C 13 56.245 0.005 . 1 . . . . . . . . 6399 1 467 . 1 1 76 76 ALA CB C 13 18.018 0.020 . 1 . . . . . . . . 6399 1 468 . 1 1 76 76 ALA N N 15 133.380 0.000 . 1 . . . . . . . . 6399 1 469 . 1 1 77 77 VAL H H 1 7.696 0.008 . 1 . . . . . . . . 6399 1 470 . 1 1 77 77 VAL HG11 H 1 0.082 0.005 . 1 . . . . . . . . 6399 1 471 . 1 1 77 77 VAL HG12 H 1 0.082 0.005 . 1 . . . . . . . . 6399 1 472 . 1 1 77 77 VAL HG13 H 1 0.082 0.005 . 1 . . . . . . . . 6399 1 473 . 1 1 77 77 VAL HG21 H 1 0.820 0.007 . 1 . . . . . . . . 6399 1 474 . 1 1 77 77 VAL HG22 H 1 0.820 0.007 . 1 . . . . . . . . 6399 1 475 . 1 1 77 77 VAL HG23 H 1 0.820 0.007 . 1 . . . . . . . . 6399 1 476 . 1 1 77 77 VAL C C 13 175.517 0.014 . 1 . . . . . . . . 6399 1 477 . 1 1 77 77 VAL CA C 13 62.508 0.009 . 1 . . . . . . . . 6399 1 478 . 1 1 77 77 VAL CB C 13 31.300 0.021 . 1 . . . . . . . . 6399 1 479 . 1 1 77 77 VAL CG1 C 13 17.655 0.038 . 1 . . . . . . . . 6399 1 480 . 1 1 77 77 VAL CG2 C 13 22.608 0.025 . 1 . . . . . . . . 6399 1 481 . 1 1 77 77 VAL N N 15 112.682 0.000 . 1 . . . . . . . . 6399 1 482 . 1 1 78 78 ALA H H 1 7.875 0.009 . 1 . . . . . . . . 6399 1 483 . 1 1 78 78 ALA C C 13 178.627 0.018 . 1 . . . . . . . . 6399 1 484 . 1 1 78 78 ALA CA C 13 55.572 0.006 . 1 . . . . . . . . 6399 1 485 . 1 1 78 78 ALA CB C 13 17.691 0.005 . 1 . . . . . . . . 6399 1 486 . 1 1 78 78 ALA N N 15 125.591 0.000 . 1 . . . . . . . . 6399 1 487 . 1 1 79 79 TYR H H 1 6.942 0.018 . 1 . . . . . . . . 6399 1 488 . 1 1 79 79 TYR CA C 13 61.680 0.010 . 1 . . . . . . . . 6399 1 489 . 1 1 79 79 TYR CB C 13 37.028 0.016 . 1 . . . . . . . . 6399 1 490 . 1 1 79 79 TYR N N 15 115.229 0.000 . 1 . . . . . . . . 6399 1 491 . 1 1 80 80 PHE H H 1 7.849 0.004 . 1 . . . . . . . . 6399 1 492 . 1 1 80 80 PHE C C 13 175.319 0.000 . 1 . . . . . . . . 6399 1 493 . 1 1 80 80 PHE CA C 13 61.148 0.011 . 1 . . . . . . . . 6399 1 494 . 1 1 80 80 PHE CB C 13 39.475 0.028 . 1 . . . . . . . . 6399 1 495 . 1 1 80 80 PHE N N 15 117.610 0.000 . 1 . . . . . . . . 6399 1 496 . 1 1 81 81 GLN H H 1 8.272 0.016 . 1 . . . . . . . . 6399 1 497 . 1 1 81 81 GLN HE21 H 1 6.824 0.011 . 1 . . . . . . . . 6399 1 498 . 1 1 81 81 GLN HE22 H 1 5.833 0.012 . 1 . . . . . . . . 6399 1 499 . 1 1 81 81 GLN C C 13 178.971 0.006 . 1 . . . . . . . . 6399 1 500 . 1 1 81 81 GLN CA C 13 56.638 0.011 . 1 . . . . . . . . 6399 1 501 . 1 1 81 81 GLN CB C 13 28.333 0.008 . 1 . . . . . . . . 6399 1 502 . 1 1 81 81 GLN N N 15 117.689 0.000 . 1 . . . . . . . . 6399 1 503 . 1 1 81 81 GLN NE2 N 15 108.963 0.000 . 1 . . . . . . . . 6399 1 504 . 1 1 82 82 ARG H H 1 8.052 0.005 . 1 . . . . . . . . 6399 1 505 . 1 1 82 82 ARG C C 13 177.475 0.009 . 1 . . . . . . . . 6399 1 506 . 1 1 82 82 ARG CA C 13 59.827 0.006 . 1 . . . . . . . . 6399 1 507 . 1 1 82 82 ARG CB C 13 28.749 0.105 . 1 . . . . . . . . 6399 1 508 . 1 1 82 82 ARG N N 15 121.174 0.000 . 1 . . . . . . . . 6399 1 509 . 1 1 83 83 GLY H H 1 8.611 0.006 . 1 . . . . . . . . 6399 1 510 . 1 1 83 83 GLY C C 13 175.583 0.002 . 1 . . . . . . . . 6399 1 511 . 1 1 83 83 GLY CA C 13 48.083 0.009 . 1 . . . . . . . . 6399 1 512 . 1 1 83 83 GLY N N 15 107.629 0.000 . 1 . . . . . . . . 6399 1 513 . 1 1 84 84 MET H H 1 7.953 0.011 . 1 . . . . . . . . 6399 1 514 . 1 1 84 84 MET C C 13 180.086 0.011 . 1 . . . . . . . . 6399 1 515 . 1 1 84 84 MET CA C 13 55.010 0.006 . 1 . . . . . . . . 6399 1 516 . 1 1 84 84 MET CB C 13 26.667 0.038 . 1 . . . . . . . . 6399 1 517 . 1 1 84 84 MET N N 15 117.312 0.000 . 1 . . . . . . . . 6399 1 518 . 1 1 85 85 LEU H H 1 7.888 0.008 . 1 . . . . . . . . 6399 1 519 . 1 1 85 85 LEU HD11 H 1 0.759 0.012 . 1 . . . . . . . . 6399 1 520 . 1 1 85 85 LEU HD12 H 1 0.759 0.012 . 1 . . . . . . . . 6399 1 521 . 1 1 85 85 LEU HD13 H 1 0.759 0.012 . 1 . . . . . . . . 6399 1 522 . 1 1 85 85 LEU HD21 H 1 0.949 0.013 . 1 . . . . . . . . 6399 1 523 . 1 1 85 85 LEU HD22 H 1 0.949 0.013 . 1 . . . . . . . . 6399 1 524 . 1 1 85 85 LEU HD23 H 1 0.949 0.013 . 1 . . . . . . . . 6399 1 525 . 1 1 85 85 LEU C C 13 179.921 0.035 . 1 . . . . . . . . 6399 1 526 . 1 1 85 85 LEU CA C 13 57.581 0.039 . 1 . . . . . . . . 6399 1 527 . 1 1 85 85 LEU CB C 13 39.467 0.014 . 1 . . . . . . . . 6399 1 528 . 1 1 85 85 LEU CD1 C 13 25.973 0.088 . 1 . . . . . . . . 6399 1 529 . 1 1 85 85 LEU CD2 C 13 25.528 0.037 . 1 . . . . . . . . 6399 1 530 . 1 1 85 85 LEU N N 15 127.679 0.000 . 1 . . . . . . . . 6399 1 531 . 1 1 86 86 TYR H H 1 8.426 0.015 . 1 . . . . . . . . 6399 1 532 . 1 1 86 86 TYR C C 13 179.598 0.016 . 1 . . . . . . . . 6399 1 533 . 1 1 86 86 TYR CA C 13 59.240 0.012 . 1 . . . . . . . . 6399 1 534 . 1 1 86 86 TYR CB C 13 34.994 0.018 . 1 . . . . . . . . 6399 1 535 . 1 1 86 86 TYR N N 15 121.575 0.000 . 1 . . . . . . . . 6399 1 536 . 1 1 87 87 TYR H H 1 8.331 0.011 . 1 . . . . . . . . 6399 1 537 . 1 1 87 87 TYR C C 13 178.016 0.006 . 1 . . . . . . . . 6399 1 538 . 1 1 87 87 TYR CA C 13 60.258 0.006 . 1 . . . . . . . . 6399 1 539 . 1 1 87 87 TYR CB C 13 36.395 0.003 . 1 . . . . . . . . 6399 1 540 . 1 1 87 87 TYR N N 15 121.419 0.000 . 1 . . . . . . . . 6399 1 541 . 1 1 88 88 GLN H H 1 7.838 0.005 . 1 . . . . . . . . 6399 1 542 . 1 1 88 88 GLN HE21 H 1 7.125 0.000 . 1 . . . . . . . . 6399 1 543 . 1 1 88 88 GLN HE22 H 1 6.444 0.015 . 1 . . . . . . . . 6399 1 544 . 1 1 88 88 GLN C C 13 177.154 0.007 . 1 . . . . . . . . 6399 1 545 . 1 1 88 88 GLN CA C 13 58.376 0.004 . 1 . . . . . . . . 6399 1 546 . 1 1 88 88 GLN CB C 13 27.952 0.022 . 1 . . . . . . . . 6399 1 547 . 1 1 88 88 GLN N N 15 121.622 0.000 . 1 . . . . . . . . 6399 1 548 . 1 1 88 88 GLN NE2 N 15 109.850 0.000 . 1 . . . . . . . . 6399 1 549 . 1 1 89 89 THR H H 1 7.629 0.013 . 1 . . . . . . . . 6399 1 550 . 1 1 89 89 THR C C 13 172.842 0.013 . 1 . . . . . . . . 6399 1 551 . 1 1 89 89 THR CA C 13 60.239 0.006 . 1 . . . . . . . . 6399 1 552 . 1 1 89 89 THR CB C 13 68.224 0.061 . 1 . . . . . . . . 6399 1 553 . 1 1 89 89 THR N N 15 107.082 0.000 . 1 . . . . . . . . 6399 1 554 . 1 1 90 90 GLU H H 1 7.627 0.014 . 1 . . . . . . . . 6399 1 555 . 1 1 90 90 GLU C C 13 174.861 0.008 . 1 . . . . . . . . 6399 1 556 . 1 1 90 90 GLU CA C 13 57.010 0.005 . 1 . . . . . . . . 6399 1 557 . 1 1 90 90 GLU CB C 13 25.224 0.026 . 1 . . . . . . . . 6399 1 558 . 1 1 90 90 GLU N N 15 113.808 0.000 . 1 . . . . . . . . 6399 1 559 . 1 1 91 91 LYS H H 1 8.219 0.002 . 1 . . . . . . . . 6399 1 560 . 1 1 91 91 LYS C C 13 177.292 0.003 . 1 . . . . . . . . 6399 1 561 . 1 1 91 91 LYS CA C 13 53.072 0.008 . 1 . . . . . . . . 6399 1 562 . 1 1 91 91 LYS CB C 13 29.440 0.010 . 1 . . . . . . . . 6399 1 563 . 1 1 91 91 LYS N N 15 121.508 0.000 . 1 . . . . . . . . 6399 1 564 . 1 1 92 92 TYR H H 1 6.713 0.014 . 1 . . . . . . . . 6399 1 565 . 1 1 92 92 TYR C C 13 177.383 0.010 . 1 . . . . . . . . 6399 1 566 . 1 1 92 92 TYR CA C 13 60.483 0.005 . 1 . . . . . . . . 6399 1 567 . 1 1 92 92 TYR CB C 13 36.883 0.022 . 1 . . . . . . . . 6399 1 568 . 1 1 92 92 TYR N N 15 118.322 0.000 . 1 . . . . . . . . 6399 1 569 . 1 1 93 93 ASP H H 1 8.373 0.003 . 1 . . . . . . . . 6399 1 570 . 1 1 93 93 ASP C C 13 179.727 0.016 . 1 . . . . . . . . 6399 1 571 . 1 1 93 93 ASP CA C 13 57.427 0.000 . 1 . . . . . . . . 6399 1 572 . 1 1 93 93 ASP CB C 13 39.003 0.003 . 1 . . . . . . . . 6399 1 573 . 1 1 93 93 ASP N N 15 116.926 0.000 . 1 . . . . . . . . 6399 1 574 . 1 1 94 94 LEU H H 1 7.352 0.006 . 1 . . . . . . . . 6399 1 575 . 1 1 94 94 LEU HD11 H 1 0.304 0.011 . 1 . . . . . . . . 6399 1 576 . 1 1 94 94 LEU HD12 H 1 0.304 0.011 . 1 . . . . . . . . 6399 1 577 . 1 1 94 94 LEU HD13 H 1 0.304 0.011 . 1 . . . . . . . . 6399 1 578 . 1 1 94 94 LEU HD21 H 1 0.496 0.006 . 1 . . . . . . . . 6399 1 579 . 1 1 94 94 LEU HD22 H 1 0.496 0.006 . 1 . . . . . . . . 6399 1 580 . 1 1 94 94 LEU HD23 H 1 0.496 0.006 . 1 . . . . . . . . 6399 1 581 . 1 1 94 94 LEU C C 13 179.449 0.028 . 1 . . . . . . . . 6399 1 582 . 1 1 94 94 LEU CA C 13 56.991 0.038 . 1 . . . . . . . . 6399 1 583 . 1 1 94 94 LEU CB C 13 38.561 0.086 . 1 . . . . . . . . 6399 1 584 . 1 1 94 94 LEU CD1 C 13 24.990 0.057 . 1 . . . . . . . . 6399 1 585 . 1 1 94 94 LEU CD2 C 13 21.656 0.060 . 1 . . . . . . . . 6399 1 586 . 1 1 94 94 LEU N N 15 121.749 0.000 . 1 . . . . . . . . 6399 1 587 . 1 1 95 95 ALA H H 1 8.030 0.009 . 1 . . . . . . . . 6399 1 588 . 1 1 95 95 ALA C C 13 179.321 0.012 . 1 . . . . . . . . 6399 1 589 . 1 1 95 95 ALA CA C 13 55.580 0.008 . 1 . . . . . . . . 6399 1 590 . 1 1 95 95 ALA CB C 13 18.236 0.023 . 1 . . . . . . . . 6399 1 591 . 1 1 95 95 ALA N N 15 122.259 0.000 . 1 . . . . . . . . 6399 1 592 . 1 1 96 96 ILE H H 1 8.123 0.018 . 1 . . . . . . . . 6399 1 593 . 1 1 96 96 ILE HD11 H 1 0.002 0.013 . 1 . . . . . . . . 6399 1 594 . 1 1 96 96 ILE HD12 H 1 0.002 0.013 . 1 . . . . . . . . 6399 1 595 . 1 1 96 96 ILE HD13 H 1 0.002 0.013 . 1 . . . . . . . . 6399 1 596 . 1 1 96 96 ILE C C 13 176.770 0.003 . 1 . . . . . . . . 6399 1 597 . 1 1 96 96 ILE CA C 13 66.515 0.006 . 1 . . . . . . . . 6399 1 598 . 1 1 96 96 ILE CB C 13 37.560 0.019 . 1 . . . . . . . . 6399 1 599 . 1 1 96 96 ILE CD1 C 13 12.390 0.067 . 1 . . . . . . . . 6399 1 600 . 1 1 96 96 ILE N N 15 117.113 0.000 . 1 . . . . . . . . 6399 1 601 . 1 1 97 97 LYS H H 1 7.557 0.007 . 1 . . . . . . . . 6399 1 602 . 1 1 97 97 LYS C C 13 179.615 0.045 . 1 . . . . . . . . 6399 1 603 . 1 1 97 97 LYS CA C 13 59.760 0.007 . 1 . . . . . . . . 6399 1 604 . 1 1 97 97 LYS CB C 13 31.649 0.008 . 1 . . . . . . . . 6399 1 605 . 1 1 97 97 LYS N N 15 118.517 0.000 . 1 . . . . . . . . 6399 1 606 . 1 1 98 98 ASP H H 1 7.748 0.006 . 1 . . . . . . . . 6399 1 607 . 1 1 98 98 ASP C C 13 179.224 0.007 . 1 . . . . . . . . 6399 1 608 . 1 1 98 98 ASP CA C 13 57.134 0.023 . 1 . . . . . . . . 6399 1 609 . 1 1 98 98 ASP CB C 13 39.256 0.059 . 1 . . . . . . . . 6399 1 610 . 1 1 98 98 ASP N N 15 120.379 0.000 . 1 . . . . . . . . 6399 1 611 . 1 1 99 99 LEU H H 1 8.687 0.004 . 1 . . . . . . . . 6399 1 612 . 1 1 99 99 LEU HD11 H 1 0.714 0.009 . 1 . . . . . . . . 6399 1 613 . 1 1 99 99 LEU HD12 H 1 0.714 0.009 . 1 . . . . . . . . 6399 1 614 . 1 1 99 99 LEU HD13 H 1 0.714 0.009 . 1 . . . . . . . . 6399 1 615 . 1 1 99 99 LEU HD21 H 1 0.856 0.006 . 1 . . . . . . . . 6399 1 616 . 1 1 99 99 LEU HD22 H 1 0.856 0.006 . 1 . . . . . . . . 6399 1 617 . 1 1 99 99 LEU HD23 H 1 0.856 0.006 . 1 . . . . . . . . 6399 1 618 . 1 1 99 99 LEU C C 13 179.068 0.000 . 1 . . . . . . . . 6399 1 619 . 1 1 99 99 LEU CA C 13 57.920 0.061 . 1 . . . . . . . . 6399 1 620 . 1 1 99 99 LEU CB C 13 41.533 0.064 . 1 . . . . . . . . 6399 1 621 . 1 1 99 99 LEU CD1 C 13 26.569 0.053 . 1 . . . . . . . . 6399 1 622 . 1 1 99 99 LEU CD2 C 13 24.652 0.042 . 1 . . . . . . . . 6399 1 623 . 1 1 99 99 LEU N N 15 120.810 0.000 . 1 . . . . . . . . 6399 1 624 . 1 1 100 100 LYS H H 1 8.829 0.005 . 1 . . . . . . . . 6399 1 625 . 1 1 100 100 LYS C C 13 179.624 0.008 . 1 . . . . . . . . 6399 1 626 . 1 1 100 100 LYS CA C 13 60.039 0.013 . 1 . . . . . . . . 6399 1 627 . 1 1 100 100 LYS CB C 13 31.566 0.076 . 1 . . . . . . . . 6399 1 628 . 1 1 100 100 LYS N N 15 117.815 0.000 . 1 . . . . . . . . 6399 1 629 . 1 1 101 101 GLU H H 1 7.678 0.007 . 1 . . . . . . . . 6399 1 630 . 1 1 101 101 GLU C C 13 178.424 0.028 . 1 . . . . . . . . 6399 1 631 . 1 1 101 101 GLU CA C 13 57.858 0.040 . 1 . . . . . . . . 6399 1 632 . 1 1 101 101 GLU CB C 13 28.049 0.003 . 1 . . . . . . . . 6399 1 633 . 1 1 101 101 GLU N N 15 121.594 0.000 . 1 . . . . . . . . 6399 1 634 . 1 1 102 102 ALA H H 1 8.660 0.004 . 1 . . . . . . . . 6399 1 635 . 1 1 102 102 ALA CA C 13 55.533 0.000 . 1 . . . . . . . . 6399 1 636 . 1 1 102 102 ALA CB C 13 16.791 0.000 . 1 . . . . . . . . 6399 1 637 . 1 1 102 102 ALA N N 15 122.260 0.000 . 1 . . . . . . . . 6399 1 638 . 1 1 103 103 LEU HD11 H 1 0.956 0.014 . 1 . . . . . . . . 6399 1 639 . 1 1 103 103 LEU HD12 H 1 0.956 0.014 . 1 . . . . . . . . 6399 1 640 . 1 1 103 103 LEU HD13 H 1 0.956 0.014 . 1 . . . . . . . . 6399 1 641 . 1 1 103 103 LEU HD21 H 1 0.992 0.005 . 1 . . . . . . . . 6399 1 642 . 1 1 103 103 LEU HD22 H 1 0.992 0.005 . 1 . . . . . . . . 6399 1 643 . 1 1 103 103 LEU HD23 H 1 0.992 0.005 . 1 . . . . . . . . 6399 1 644 . 1 1 103 103 LEU C C 13 180.813 0.000 . 1 . . . . . . . . 6399 1 645 . 1 1 103 103 LEU CA C 13 57.434 0.004 . 1 . . . . . . . . 6399 1 646 . 1 1 103 103 LEU CB C 13 41.167 0.034 . 1 . . . . . . . . 6399 1 647 . 1 1 103 103 LEU CD1 C 13 25.922 0.012 . 1 . . . . . . . . 6399 1 648 . 1 1 103 103 LEU CD2 C 13 24.372 0.022 . 1 . . . . . . . . 6399 1 649 . 1 1 104 104 ILE H H 1 8.014 0.009 . 1 . . . . . . . . 6399 1 650 . 1 1 104 104 ILE HD11 H 1 0.814 0.004 . 1 . . . . . . . . 6399 1 651 . 1 1 104 104 ILE HD12 H 1 0.814 0.004 . 1 . . . . . . . . 6399 1 652 . 1 1 104 104 ILE HD13 H 1 0.814 0.004 . 1 . . . . . . . . 6399 1 653 . 1 1 104 104 ILE C C 13 180.701 0.012 . 1 . . . . . . . . 6399 1 654 . 1 1 104 104 ILE CA C 13 64.236 0.010 . 1 . . . . . . . . 6399 1 655 . 1 1 104 104 ILE CB C 13 36.273 0.021 . 1 . . . . . . . . 6399 1 656 . 1 1 104 104 ILE CD1 C 13 12.008 0.088 . 1 . . . . . . . . 6399 1 657 . 1 1 104 104 ILE N N 15 122.678 0.000 . 1 . . . . . . . . 6399 1 658 . 1 1 105 105 GLN H H 1 8.507 0.009 . 1 . . . . . . . . 6399 1 659 . 1 1 105 105 GLN C C 13 176.859 0.007 . 1 . . . . . . . . 6399 1 660 . 1 1 105 105 GLN CA C 13 56.048 0.005 . 1 . . . . . . . . 6399 1 661 . 1 1 105 105 GLN CB C 13 25.557 0.007 . 1 . . . . . . . . 6399 1 662 . 1 1 105 105 GLN N N 15 117.428 0.000 . 1 . . . . . . . . 6399 1 663 . 1 1 106 106 LEU H H 1 7.743 0.005 . 1 . . . . . . . . 6399 1 664 . 1 1 106 106 LEU HD11 H 1 0.816 0.011 . 1 . . . . . . . . 6399 1 665 . 1 1 106 106 LEU HD12 H 1 0.816 0.011 . 1 . . . . . . . . 6399 1 666 . 1 1 106 106 LEU HD13 H 1 0.816 0.011 . 1 . . . . . . . . 6399 1 667 . 1 1 106 106 LEU HD21 H 1 0.725 0.011 . 1 . . . . . . . . 6399 1 668 . 1 1 106 106 LEU HD22 H 1 0.725 0.011 . 1 . . . . . . . . 6399 1 669 . 1 1 106 106 LEU HD23 H 1 0.725 0.011 . 1 . . . . . . . . 6399 1 670 . 1 1 106 106 LEU C C 13 178.716 0.001 . 1 . . . . . . . . 6399 1 671 . 1 1 106 106 LEU CA C 13 56.929 0.016 . 1 . . . . . . . . 6399 1 672 . 1 1 106 106 LEU CB C 13 40.131 0.010 . 1 . . . . . . . . 6399 1 673 . 1 1 106 106 LEU CD1 C 13 25.599 0.031 . 1 . . . . . . . . 6399 1 674 . 1 1 106 106 LEU CD2 C 13 23.576 0.027 . 1 . . . . . . . . 6399 1 675 . 1 1 106 106 LEU N N 15 120.868 0.000 . 1 . . . . . . . . 6399 1 676 . 1 1 107 107 ARG H H 1 8.345 0.006 . 1 . . . . . . . . 6399 1 677 . 1 1 107 107 ARG C C 13 176.022 0.003 . 1 . . . . . . . . 6399 1 678 . 1 1 107 107 ARG CA C 13 56.275 0.006 . 1 . . . . . . . . 6399 1 679 . 1 1 107 107 ARG CB C 13 26.854 0.019 . 1 . . . . . . . . 6399 1 680 . 1 1 107 107 ARG N N 15 116.125 0.000 . 1 . . . . . . . . 6399 1 681 . 1 1 108 108 GLY H H 1 8.833 0.002 . 1 . . . . . . . . 6399 1 682 . 1 1 108 108 GLY C C 13 174.773 0.001 . 1 . . . . . . . . 6399 1 683 . 1 1 108 108 GLY CA C 13 44.881 0.007 . 1 . . . . . . . . 6399 1 684 . 1 1 108 108 GLY N N 15 105.875 0.000 . 1 . . . . . . . . 6399 1 685 . 1 1 109 109 ASN H H 1 7.771 0.009 . 1 . . . . . . . . 6399 1 686 . 1 1 109 109 ASN HD21 H 1 7.374 0.018 . 1 . . . . . . . . 6399 1 687 . 1 1 109 109 ASN HD22 H 1 7.121 0.000 . 1 . . . . . . . . 6399 1 688 . 1 1 109 109 ASN C C 13 175.398 0.005 . 1 . . . . . . . . 6399 1 689 . 1 1 109 109 ASN CA C 13 53.008 0.003 . 1 . . . . . . . . 6399 1 690 . 1 1 109 109 ASN CB C 13 39.113 0.016 . 1 . . . . . . . . 6399 1 691 . 1 1 109 109 ASN N N 15 118.268 0.000 . 1 . . . . . . . . 6399 1 692 . 1 1 109 109 ASN ND2 N 15 114.439 0.000 . 1 . . . . . . . . 6399 1 693 . 1 1 110 110 GLN H H 1 8.956 0.003 . 1 . . . . . . . . 6399 1 694 . 1 1 110 110 GLN HE21 H 1 7.585 0.000 . 1 . . . . . . . . 6399 1 695 . 1 1 110 110 GLN HE22 H 1 6.966 0.000 . 1 . . . . . . . . 6399 1 696 . 1 1 110 110 GLN C C 13 176.480 0.002 . 1 . . . . . . . . 6399 1 697 . 1 1 110 110 GLN CA C 13 57.708 0.004 . 1 . . . . . . . . 6399 1 698 . 1 1 110 110 GLN CB C 13 28.366 0.011 . 1 . . . . . . . . 6399 1 699 . 1 1 110 110 GLN N N 15 119.258 0.000 . 1 . . . . . . . . 6399 1 700 . 1 1 110 110 GLN NE2 N 15 111.845 0.000 . 1 . . . . . . . . 6399 1 701 . 1 1 111 111 LEU H H 1 7.704 0.009 . 1 . . . . . . . . 6399 1 702 . 1 1 111 111 LEU HD11 H 1 0.749 0.003 . 1 . . . . . . . . 6399 1 703 . 1 1 111 111 LEU HD12 H 1 0.749 0.003 . 1 . . . . . . . . 6399 1 704 . 1 1 111 111 LEU HD13 H 1 0.749 0.003 . 1 . . . . . . . . 6399 1 705 . 1 1 111 111 LEU HD21 H 1 0.071 0.004 . 1 . . . . . . . . 6399 1 706 . 1 1 111 111 LEU HD22 H 1 0.071 0.004 . 1 . . . . . . . . 6399 1 707 . 1 1 111 111 LEU HD23 H 1 0.071 0.004 . 1 . . . . . . . . 6399 1 708 . 1 1 111 111 LEU C C 13 175.117 0.006 . 1 . . . . . . . . 6399 1 709 . 1 1 111 111 LEU CA C 13 54.162 0.009 . 1 . . . . . . . . 6399 1 710 . 1 1 111 111 LEU CB C 13 43.034 0.029 . 1 . . . . . . . . 6399 1 711 . 1 1 111 111 LEU CD1 C 13 25.776 0.051 . 1 . . . . . . . . 6399 1 712 . 1 1 111 111 LEU CD2 C 13 25.077 0.028 . 1 . . . . . . . . 6399 1 713 . 1 1 111 111 LEU N N 15 117.883 0.000 . 1 . . . . . . . . 6399 1 714 . 1 1 112 112 ILE H H 1 8.042 0.007 . 1 . . . . . . . . 6399 1 715 . 1 1 112 112 ILE HD11 H 1 0.889 0.012 . 1 . . . . . . . . 6399 1 716 . 1 1 112 112 ILE HD12 H 1 0.889 0.012 . 1 . . . . . . . . 6399 1 717 . 1 1 112 112 ILE HD13 H 1 0.889 0.012 . 1 . . . . . . . . 6399 1 718 . 1 1 112 112 ILE C C 13 173.398 0.017 . 1 . . . . . . . . 6399 1 719 . 1 1 112 112 ILE CA C 13 61.534 0.004 . 1 . . . . . . . . 6399 1 720 . 1 1 112 112 ILE CB C 13 40.363 0.003 . 1 . . . . . . . . 6399 1 721 . 1 1 112 112 ILE CD1 C 13 13.762 0.077 . 1 . . . . . . . . 6399 1 722 . 1 1 112 112 ILE N N 15 119.031 0.000 . 1 . . . . . . . . 6399 1 723 . 1 1 113 113 ASP H H 1 8.511 0.005 . 1 . . . . . . . . 6399 1 724 . 1 1 113 113 ASP C C 13 177.439 0.000 . 1 . . . . . . . . 6399 1 725 . 1 1 113 113 ASP CA C 13 51.868 0.010 . 1 . . . . . . . . 6399 1 726 . 1 1 113 113 ASP CB C 13 40.425 0.049 . 1 . . . . . . . . 6399 1 727 . 1 1 113 113 ASP N N 15 125.932 0.000 . 1 . . . . . . . . 6399 1 728 . 1 1 114 114 TYR H H 1 8.532 0.016 . 1 . . . . . . . . 6399 1 729 . 1 1 114 114 TYR C C 13 177.888 0.006 . 1 . . . . . . . . 6399 1 730 . 1 1 114 114 TYR CA C 13 61.927 0.007 . 1 . . . . . . . . 6399 1 731 . 1 1 114 114 TYR CB C 13 38.881 0.034 . 1 . . . . . . . . 6399 1 732 . 1 1 114 114 TYR N N 15 123.990 0.000 . 1 . . . . . . . . 6399 1 733 . 1 1 115 115 LYS H H 1 8.567 0.011 . 1 . . . . . . . . 6399 1 734 . 1 1 115 115 LYS C C 13 180.757 0.021 . 1 . . . . . . . . 6399 1 735 . 1 1 115 115 LYS CA C 13 60.722 0.004 . 1 . . . . . . . . 6399 1 736 . 1 1 115 115 LYS CB C 13 30.708 0.029 . 1 . . . . . . . . 6399 1 737 . 1 1 115 115 LYS N N 15 125.221 0.000 . 1 . . . . . . . . 6399 1 738 . 1 1 116 116 ILE H H 1 8.143 0.018 . 1 . . . . . . . . 6399 1 739 . 1 1 116 116 ILE HD11 H 1 0.916 0.018 . 1 . . . . . . . . 6399 1 740 . 1 1 116 116 ILE HD12 H 1 0.916 0.018 . 1 . . . . . . . . 6399 1 741 . 1 1 116 116 ILE HD13 H 1 0.916 0.018 . 1 . . . . . . . . 6399 1 742 . 1 1 116 116 ILE C C 13 176.730 0.004 . 1 . . . . . . . . 6399 1 743 . 1 1 116 116 ILE CA C 13 62.820 0.011 . 1 . . . . . . . . 6399 1 744 . 1 1 116 116 ILE CB C 13 36.924 0.042 . 1 . . . . . . . . 6399 1 745 . 1 1 116 116 ILE CD1 C 13 13.320 0.084 . 1 . . . . . . . . 6399 1 746 . 1 1 116 116 ILE N N 15 117.800 0.000 . 1 . . . . . . . . 6399 1 747 . 1 1 117 117 LEU H H 1 7.829 0.011 . 1 . . . . . . . . 6399 1 748 . 1 1 117 117 LEU HD11 H 1 1.114 0.009 . 1 . . . . . . . . 6399 1 749 . 1 1 117 117 LEU HD12 H 1 1.114 0.009 . 1 . . . . . . . . 6399 1 750 . 1 1 117 117 LEU HD13 H 1 1.114 0.009 . 1 . . . . . . . . 6399 1 751 . 1 1 117 117 LEU HD21 H 1 0.993 0.008 . 1 . . . . . . . . 6399 1 752 . 1 1 117 117 LEU HD22 H 1 0.993 0.008 . 1 . . . . . . . . 6399 1 753 . 1 1 117 117 LEU HD23 H 1 0.993 0.008 . 1 . . . . . . . . 6399 1 754 . 1 1 117 117 LEU C C 13 176.951 0.006 . 1 . . . . . . . . 6399 1 755 . 1 1 117 117 LEU CA C 13 54.463 0.005 . 1 . . . . . . . . 6399 1 756 . 1 1 117 117 LEU CB C 13 43.392 0.033 . 1 . . . . . . . . 6399 1 757 . 1 1 117 117 LEU CD1 C 13 25.479 0.007 . 1 . . . . . . . . 6399 1 758 . 1 1 117 117 LEU CD2 C 13 22.994 0.050 . 1 . . . . . . . . 6399 1 759 . 1 1 117 117 LEU N N 15 120.836 0.000 . 1 . . . . . . . . 6399 1 760 . 1 1 118 118 GLY H H 1 8.074 0.014 . 1 . . . . . . . . 6399 1 761 . 1 1 118 118 GLY C C 13 174.038 0.002 . 1 . . . . . . . . 6399 1 762 . 1 1 118 118 GLY CA C 13 45.489 0.004 . 1 . . . . . . . . 6399 1 763 . 1 1 118 118 GLY N N 15 106.178 0.000 . 1 . . . . . . . . 6399 1 764 . 1 1 119 119 LEU H H 1 7.720 0.008 . 1 . . . . . . . . 6399 1 765 . 1 1 119 119 LEU HD11 H 1 -0.236 0.005 . 1 . . . . . . . . 6399 1 766 . 1 1 119 119 LEU HD12 H 1 -0.236 0.005 . 1 . . . . . . . . 6399 1 767 . 1 1 119 119 LEU HD13 H 1 -0.236 0.005 . 1 . . . . . . . . 6399 1 768 . 1 1 119 119 LEU HD21 H 1 0.132 0.011 . 1 . . . . . . . . 6399 1 769 . 1 1 119 119 LEU HD22 H 1 0.132 0.011 . 1 . . . . . . . . 6399 1 770 . 1 1 119 119 LEU HD23 H 1 0.132 0.011 . 1 . . . . . . . . 6399 1 771 . 1 1 119 119 LEU C C 13 174.610 0.003 . 1 . . . . . . . . 6399 1 772 . 1 1 119 119 LEU CA C 13 52.756 0.002 . 1 . . . . . . . . 6399 1 773 . 1 1 119 119 LEU CB C 13 43.821 0.008 . 1 . . . . . . . . 6399 1 774 . 1 1 119 119 LEU CD1 C 13 25.692 0.002 . 1 . . . . . . . . 6399 1 775 . 1 1 119 119 LEU CD2 C 13 22.297 0.026 . 1 . . . . . . . . 6399 1 776 . 1 1 119 119 LEU N N 15 125.618 0.000 . 1 . . . . . . . . 6399 1 777 . 1 1 120 120 GLN H H 1 8.810 0.011 . 1 . . . . . . . . 6399 1 778 . 1 1 120 120 GLN HE21 H 1 7.653 0.000 . 1 . . . . . . . . 6399 1 779 . 1 1 120 120 GLN HE22 H 1 6.886 0.000 . 1 . . . . . . . . 6399 1 780 . 1 1 120 120 GLN C C 13 173.527 0.019 . 1 . . . . . . . . 6399 1 781 . 1 1 120 120 GLN CA C 13 54.175 0.003 . 1 . . . . . . . . 6399 1 782 . 1 1 120 120 GLN CB C 13 25.541 0.019 . 1 . . . . . . . . 6399 1 783 . 1 1 120 120 GLN N N 15 127.773 0.000 . 1 . . . . . . . . 6399 1 784 . 1 1 120 120 GLN NE2 N 15 112.686 0.000 . 1 . . . . . . . . 6399 1 785 . 1 1 121 121 PHE H H 1 8.191 0.010 . 1 . . . . . . . . 6399 1 786 . 1 1 121 121 PHE C C 13 172.314 0.002 . 1 . . . . . . . . 6399 1 787 . 1 1 121 121 PHE CA C 13 58.164 0.001 . 1 . . . . . . . . 6399 1 788 . 1 1 121 121 PHE CB C 13 42.057 0.014 . 1 . . . . . . . . 6399 1 789 . 1 1 121 121 PHE N N 15 124.095 0.000 . 1 . . . . . . . . 6399 1 790 . 1 1 122 122 LYS H H 1 7.202 0.005 . 1 . . . . . . . . 6399 1 791 . 1 1 122 122 LYS C C 13 172.419 0.018 . 1 . . . . . . . . 6399 1 792 . 1 1 122 122 LYS CA C 13 54.420 0.005 . 1 . . . . . . . . 6399 1 793 . 1 1 122 122 LYS CB C 13 33.424 0.006 . 1 . . . . . . . . 6399 1 794 . 1 1 122 122 LYS N N 15 126.413 0.000 . 1 . . . . . . . . 6399 1 795 . 1 1 123 123 LEU H H 1 8.413 0.008 . 1 . . . . . . . . 6399 1 796 . 1 1 123 123 LEU HD11 H 1 0.833 0.009 . 1 . . . . . . . . 6399 1 797 . 1 1 123 123 LEU HD12 H 1 0.833 0.009 . 1 . . . . . . . . 6399 1 798 . 1 1 123 123 LEU HD13 H 1 0.833 0.009 . 1 . . . . . . . . 6399 1 799 . 1 1 123 123 LEU HD21 H 1 0.475 0.009 . 1 . . . . . . . . 6399 1 800 . 1 1 123 123 LEU HD22 H 1 0.475 0.009 . 1 . . . . . . . . 6399 1 801 . 1 1 123 123 LEU HD23 H 1 0.475 0.009 . 1 . . . . . . . . 6399 1 802 . 1 1 123 123 LEU C C 13 173.985 0.015 . 1 . . . . . . . . 6399 1 803 . 1 1 123 123 LEU CA C 13 51.899 0.018 . 1 . . . . . . . . 6399 1 804 . 1 1 123 123 LEU CB C 13 43.158 0.014 . 1 . . . . . . . . 6399 1 805 . 1 1 123 123 LEU CD1 C 13 27.510 0.025 . 1 . . . . . . . . 6399 1 806 . 1 1 123 123 LEU CD2 C 13 23.333 0.026 . 1 . . . . . . . . 6399 1 807 . 1 1 123 123 LEU N N 15 124.707 0.000 . 1 . . . . . . . . 6399 1 808 . 1 1 124 124 PHE H H 1 9.543 0.010 . 1 . . . . . . . . 6399 1 809 . 1 1 124 124 PHE C C 13 177.496 0.005 . 1 . . . . . . . . 6399 1 810 . 1 1 124 124 PHE CA C 13 56.585 0.005 . 1 . . . . . . . . 6399 1 811 . 1 1 124 124 PHE CB C 13 40.349 0.004 . 1 . . . . . . . . 6399 1 812 . 1 1 124 124 PHE N N 15 124.767 0.000 . 1 . . . . . . . . 6399 1 813 . 1 1 125 125 ALA H H 1 8.638 0.004 . 1 . . . . . . . . 6399 1 814 . 1 1 125 125 ALA C C 13 179.690 0.006 . 1 . . . . . . . . 6399 1 815 . 1 1 125 125 ALA CA C 13 55.605 0.005 . 1 . . . . . . . . 6399 1 816 . 1 1 125 125 ALA CB C 13 17.822 0.031 . 1 . . . . . . . . 6399 1 817 . 1 1 125 125 ALA N N 15 127.283 0.000 . 1 . . . . . . . . 6399 1 818 . 1 1 126 126 CYS H H 1 9.463 0.004 . 1 . . . . . . . . 6399 1 819 . 1 1 126 126 CYS C C 13 175.448 0.028 . 1 . . . . . . . . 6399 1 820 . 1 1 126 126 CYS CA C 13 59.681 0.027 . 1 . . . . . . . . 6399 1 821 . 1 1 126 126 CYS CB C 13 25.725 0.058 . 1 . . . . . . . . 6399 1 822 . 1 1 126 126 CYS N N 15 111.781 0.000 . 1 . . . . . . . . 6399 1 823 . 1 1 127 127 GLU H H 1 6.899 0.006 . 1 . . . . . . . . 6399 1 824 . 1 1 127 127 GLU C C 13 177.891 0.000 . 1 . . . . . . . . 6399 1 825 . 1 1 127 127 GLU CA C 13 58.880 0.016 . 1 . . . . . . . . 6399 1 826 . 1 1 127 127 GLU CB C 13 27.850 0.009 . 1 . . . . . . . . 6399 1 827 . 1 1 127 127 GLU N N 15 121.529 0.000 . 1 . . . . . . . . 6399 1 828 . 1 1 128 128 VAL H H 1 8.185 0.002 . 1 . . . . . . . . 6399 1 829 . 1 1 128 128 VAL HG11 H 1 1.117 0.013 . 1 . . . . . . . . 6399 1 830 . 1 1 128 128 VAL HG12 H 1 1.117 0.013 . 1 . . . . . . . . 6399 1 831 . 1 1 128 128 VAL HG13 H 1 1.117 0.013 . 1 . . . . . . . . 6399 1 832 . 1 1 128 128 VAL HG21 H 1 1.221 0.017 . 1 . . . . . . . . 6399 1 833 . 1 1 128 128 VAL HG22 H 1 1.221 0.017 . 1 . . . . . . . . 6399 1 834 . 1 1 128 128 VAL HG23 H 1 1.221 0.017 . 1 . . . . . . . . 6399 1 835 . 1 1 128 128 VAL C C 13 179.028 0.000 . 1 . . . . . . . . 6399 1 836 . 1 1 128 128 VAL CA C 13 67.992 0.016 . 1 . . . . . . . . 6399 1 837 . 1 1 128 128 VAL CB C 13 30.144 0.000 . 1 . . . . . . . . 6399 1 838 . 1 1 128 128 VAL CG1 C 13 23.395 0.018 . 1 . . . . . . . . 6399 1 839 . 1 1 128 128 VAL CG2 C 13 24.581 0.033 . 1 . . . . . . . . 6399 1 840 . 1 1 128 128 VAL N N 15 121.681 0.000 . 1 . . . . . . . . 6399 1 841 . 1 1 129 129 LEU H H 1 8.156 0.016 . 1 . . . . . . . . 6399 1 842 . 1 1 129 129 LEU HD11 H 1 0.847 0.018 . 1 . . . . . . . . 6399 1 843 . 1 1 129 129 LEU HD12 H 1 0.847 0.018 . 1 . . . . . . . . 6399 1 844 . 1 1 129 129 LEU HD13 H 1 0.847 0.018 . 1 . . . . . . . . 6399 1 845 . 1 1 129 129 LEU HD21 H 1 1.098 0.015 . 1 . . . . . . . . 6399 1 846 . 1 1 129 129 LEU HD22 H 1 1.098 0.015 . 1 . . . . . . . . 6399 1 847 . 1 1 129 129 LEU HD23 H 1 1.098 0.015 . 1 . . . . . . . . 6399 1 848 . 1 1 129 129 LEU C C 13 178.099 0.000 . 1 . . . . . . . . 6399 1 849 . 1 1 129 129 LEU CA C 13 58.468 0.068 . 1 . . . . . . . . 6399 1 850 . 1 1 129 129 LEU CB C 13 42.379 0.050 . 1 . . . . . . . . 6399 1 851 . 1 1 129 129 LEU CD1 C 13 26.186 0.025 . 1 . . . . . . . . 6399 1 852 . 1 1 129 129 LEU CD2 C 13 24.354 0.044 . 1 . . . . . . . . 6399 1 853 . 1 1 129 129 LEU N N 15 119.052 0.000 . 1 . . . . . . . . 6399 1 854 . 1 1 130 130 TYR H H 1 7.806 0.008 . 1 . . . . . . . . 6399 1 855 . 1 1 130 130 TYR C C 13 177.788 0.000 . 1 . . . . . . . . 6399 1 856 . 1 1 130 130 TYR CA C 13 60.744 0.023 . 1 . . . . . . . . 6399 1 857 . 1 1 130 130 TYR CB C 13 38.251 0.112 . 1 . . . . . . . . 6399 1 858 . 1 1 130 130 TYR N N 15 120.289 0.000 . 1 . . . . . . . . 6399 1 859 . 1 1 131 131 ASN H H 1 8.331 0.007 . 1 . . . . . . . . 6399 1 860 . 1 1 131 131 ASN C C 13 177.787 0.000 . 1 . . . . . . . . 6399 1 861 . 1 1 131 131 ASN CA C 13 54.977 0.025 . 1 . . . . . . . . 6399 1 862 . 1 1 131 131 ASN CB C 13 36.982 0.028 . 1 . . . . . . . . 6399 1 863 . 1 1 131 131 ASN N N 15 122.953 0.000 . 1 . . . . . . . . 6399 1 864 . 1 1 132 132 ILE H H 1 9.033 0.006 . 1 . . . . . . . . 6399 1 865 . 1 1 132 132 ILE HD11 H 1 0.840 0.006 . 1 . . . . . . . . 6399 1 866 . 1 1 132 132 ILE HD12 H 1 0.840 0.006 . 1 . . . . . . . . 6399 1 867 . 1 1 132 132 ILE HD13 H 1 0.840 0.006 . 1 . . . . . . . . 6399 1 868 . 1 1 132 132 ILE C C 13 177.762 0.022 . 1 . . . . . . . . 6399 1 869 . 1 1 132 132 ILE CA C 13 66.900 0.008 . 1 . . . . . . . . 6399 1 870 . 1 1 132 132 ILE CB C 13 37.272 0.088 . 1 . . . . . . . . 6399 1 871 . 1 1 132 132 ILE CD1 C 13 13.766 0.089 . 1 . . . . . . . . 6399 1 872 . 1 1 132 132 ILE N N 15 124.830 0.000 . 1 . . . . . . . . 6399 1 873 . 1 1 133 133 ALA H H 1 8.790 0.004 . 1 . . . . . . . . 6399 1 874 . 1 1 133 133 ALA C C 13 177.818 0.013 . 1 . . . . . . . . 6399 1 875 . 1 1 133 133 ALA CA C 13 55.051 0.042 . 1 . . . . . . . . 6399 1 876 . 1 1 133 133 ALA CB C 13 18.948 0.093 . 1 . . . . . . . . 6399 1 877 . 1 1 133 133 ALA N N 15 119.540 0.000 . 1 . . . . . . . . 6399 1 878 . 1 1 134 134 PHE H H 1 7.375 0.002 . 1 . . . . . . . . 6399 1 879 . 1 1 134 134 PHE C C 13 175.822 0.001 . 1 . . . . . . . . 6399 1 880 . 1 1 134 134 PHE CA C 13 60.425 0.044 . 1 . . . . . . . . 6399 1 881 . 1 1 134 134 PHE CB C 13 37.300 0.023 . 1 . . . . . . . . 6399 1 882 . 1 1 134 134 PHE N N 15 119.531 0.000 . 1 . . . . . . . . 6399 1 883 . 1 1 135 135 MET H H 1 7.660 0.027 . 1 . . . . . . . . 6399 1 884 . 1 1 135 135 MET C C 13 179.267 0.013 . 1 . . . . . . . . 6399 1 885 . 1 1 135 135 MET CA C 13 56.091 0.013 . 1 . . . . . . . . 6399 1 886 . 1 1 135 135 MET CB C 13 30.270 0.027 . 1 . . . . . . . . 6399 1 887 . 1 1 135 135 MET N N 15 116.778 0.000 . 1 . . . . . . . . 6399 1 888 . 1 1 136 136 TYR H H 1 7.656 0.010 . 1 . . . . . . . . 6399 1 889 . 1 1 136 136 TYR C C 13 178.309 0.018 . 1 . . . . . . . . 6399 1 890 . 1 1 136 136 TYR CA C 13 62.340 0.018 . 1 . . . . . . . . 6399 1 891 . 1 1 136 136 TYR CB C 13 35.922 0.025 . 1 . . . . . . . . 6399 1 892 . 1 1 136 136 TYR N N 15 115.779 0.000 . 1 . . . . . . . . 6399 1 893 . 1 1 137 137 ALA H H 1 8.322 0.015 . 1 . . . . . . . . 6399 1 894 . 1 1 137 137 ALA C C 13 180.751 0.013 . 1 . . . . . . . . 6399 1 895 . 1 1 137 137 ALA CA C 13 54.613 0.017 . 1 . . . . . . . . 6399 1 896 . 1 1 137 137 ALA CB C 13 16.627 0.029 . 1 . . . . . . . . 6399 1 897 . 1 1 137 137 ALA N N 15 124.481 0.000 . 1 . . . . . . . . 6399 1 898 . 1 1 138 138 LYS H H 1 7.862 0.005 . 1 . . . . . . . . 6399 1 899 . 1 1 138 138 LYS C C 13 178.201 0.003 . 1 . . . . . . . . 6399 1 900 . 1 1 138 138 LYS CA C 13 55.948 0.002 . 1 . . . . . . . . 6399 1 901 . 1 1 138 138 LYS CB C 13 28.106 0.034 . 1 . . . . . . . . 6399 1 902 . 1 1 138 138 LYS N N 15 120.211 0.000 . 1 . . . . . . . . 6399 1 903 . 1 1 139 139 LYS H H 1 6.885 0.006 . 1 . . . . . . . . 6399 1 904 . 1 1 139 139 LYS C C 13 174.760 0.009 . 1 . . . . . . . . 6399 1 905 . 1 1 139 139 LYS CA C 13 56.048 0.016 . 1 . . . . . . . . 6399 1 906 . 1 1 139 139 LYS CB C 13 30.950 0.027 . 1 . . . . . . . . 6399 1 907 . 1 1 139 139 LYS N N 15 116.830 0.000 . 1 . . . . . . . . 6399 1 908 . 1 1 140 140 GLU H H 1 7.524 0.004 . 1 . . . . . . . . 6399 1 909 . 1 1 140 140 GLU C C 13 175.218 0.008 . 1 . . . . . . . . 6399 1 910 . 1 1 140 140 GLU CA C 13 57.045 0.001 . 1 . . . . . . . . 6399 1 911 . 1 1 140 140 GLU CB C 13 25.591 0.031 . 1 . . . . . . . . 6399 1 912 . 1 1 140 140 GLU N N 15 113.445 0.000 . 1 . . . . . . . . 6399 1 913 . 1 1 141 141 GLU H H 1 8.015 0.004 . 1 . . . . . . . . 6399 1 914 . 1 1 141 141 GLU C C 13 177.097 0.010 . 1 . . . . . . . . 6399 1 915 . 1 1 141 141 GLU CA C 13 53.555 0.011 . 1 . . . . . . . . 6399 1 916 . 1 1 141 141 GLU CB C 13 26.658 0.017 . 1 . . . . . . . . 6399 1 917 . 1 1 141 141 GLU N N 15 121.226 0.000 . 1 . . . . . . . . 6399 1 918 . 1 1 142 142 TRP H H 1 6.869 0.002 . 1 . . . . . . . . 6399 1 919 . 1 1 142 142 TRP HE1 H 1 10.644 0.004 . 1 . . . . . . . . 6399 1 920 . 1 1 142 142 TRP C C 13 178.766 0.010 . 1 . . . . . . . . 6399 1 921 . 1 1 142 142 TRP CA C 13 59.555 0.006 . 1 . . . . . . . . 6399 1 922 . 1 1 142 142 TRP CB C 13 29.138 0.003 . 1 . . . . . . . . 6399 1 923 . 1 1 142 142 TRP N N 15 119.936 0.000 . 1 . . . . . . . . 6399 1 924 . 1 1 142 142 TRP NE1 N 15 129.568 0.000 . 1 . . . . . . . . 6399 1 925 . 1 1 143 143 LYS H H 1 8.518 0.010 . 1 . . . . . . . . 6399 1 926 . 1 1 143 143 LYS C C 13 179.460 0.009 . 1 . . . . . . . . 6399 1 927 . 1 1 143 143 LYS CA C 13 58.317 0.004 . 1 . . . . . . . . 6399 1 928 . 1 1 143 143 LYS CB C 13 30.185 0.001 . 1 . . . . . . . . 6399 1 929 . 1 1 143 143 LYS N N 15 119.406 0.000 . 1 . . . . . . . . 6399 1 930 . 1 1 144 144 LYS H H 1 7.417 0.003 . 1 . . . . . . . . 6399 1 931 . 1 1 144 144 LYS C C 13 179.553 0.016 . 1 . . . . . . . . 6399 1 932 . 1 1 144 144 LYS CA C 13 58.225 0.018 . 1 . . . . . . . . 6399 1 933 . 1 1 144 144 LYS CB C 13 30.061 0.031 . 1 . . . . . . . . 6399 1 934 . 1 1 144 144 LYS N N 15 119.677 0.000 . 1 . . . . . . . . 6399 1 935 . 1 1 145 145 ALA H H 1 7.874 0.009 . 1 . . . . . . . . 6399 1 936 . 1 1 145 145 ALA C C 13 178.941 0.001 . 1 . . . . . . . . 6399 1 937 . 1 1 145 145 ALA CA C 13 55.416 0.015 . 1 . . . . . . . . 6399 1 938 . 1 1 145 145 ALA CB C 13 17.811 0.020 . 1 . . . . . . . . 6399 1 939 . 1 1 145 145 ALA N N 15 120.762 0.000 . 1 . . . . . . . . 6399 1 940 . 1 1 146 146 GLU H H 1 8.282 0.013 . 1 . . . . . . . . 6399 1 941 . 1 1 146 146 GLU C C 13 178.103 0.011 . 1 . . . . . . . . 6399 1 942 . 1 1 146 146 GLU CA C 13 59.642 0.012 . 1 . . . . . . . . 6399 1 943 . 1 1 146 146 GLU CB C 13 28.920 0.025 . 1 . . . . . . . . 6399 1 944 . 1 1 146 146 GLU N N 15 118.443 0.000 . 1 . . . . . . . . 6399 1 945 . 1 1 147 147 GLU H H 1 7.922 0.008 . 1 . . . . . . . . 6399 1 946 . 1 1 147 147 GLU C C 13 180.098 0.007 . 1 . . . . . . . . 6399 1 947 . 1 1 147 147 GLU CA C 13 58.845 0.021 . 1 . . . . . . . . 6399 1 948 . 1 1 147 147 GLU CB C 13 29.151 0.031 . 1 . . . . . . . . 6399 1 949 . 1 1 147 147 GLU N N 15 117.855 0.000 . 1 . . . . . . . . 6399 1 950 . 1 1 148 148 GLN H H 1 7.780 0.008 . 1 . . . . . . . . 6399 1 951 . 1 1 148 148 GLN HE21 H 1 7.279 0.000 . 1 . . . . . . . . 6399 1 952 . 1 1 148 148 GLN HE22 H 1 6.500 0.005 . 1 . . . . . . . . 6399 1 953 . 1 1 148 148 GLN C C 13 178.896 0.002 . 1 . . . . . . . . 6399 1 954 . 1 1 148 148 GLN CA C 13 57.254 0.010 . 1 . . . . . . . . 6399 1 955 . 1 1 148 148 GLN CB C 13 27.680 0.029 . 1 . . . . . . . . 6399 1 956 . 1 1 148 148 GLN N N 15 116.357 0.000 . 1 . . . . . . . . 6399 1 957 . 1 1 148 148 GLN NE2 N 15 111.120 0.000 . 1 . . . . . . . . 6399 1 958 . 1 1 149 149 LEU H H 1 8.232 0.008 . 1 . . . . . . . . 6399 1 959 . 1 1 149 149 LEU HD11 H 1 0.723 0.013 . 1 . . . . . . . . 6399 1 960 . 1 1 149 149 LEU HD12 H 1 0.723 0.013 . 1 . . . . . . . . 6399 1 961 . 1 1 149 149 LEU HD13 H 1 0.723 0.013 . 1 . . . . . . . . 6399 1 962 . 1 1 149 149 LEU HD21 H 1 0.895 0.017 . 1 . . . . . . . . 6399 1 963 . 1 1 149 149 LEU HD22 H 1 0.895 0.017 . 1 . . . . . . . . 6399 1 964 . 1 1 149 149 LEU HD23 H 1 0.895 0.017 . 1 . . . . . . . . 6399 1 965 . 1 1 149 149 LEU C C 13 179.391 0.000 . 1 . . . . . . . . 6399 1 966 . 1 1 149 149 LEU CA C 13 57.059 0.026 . 1 . . . . . . . . 6399 1 967 . 1 1 149 149 LEU CB C 13 41.064 0.064 . 1 . . . . . . . . 6399 1 968 . 1 1 149 149 LEU CD1 C 13 25.929 0.054 . 1 . . . . . . . . 6399 1 969 . 1 1 149 149 LEU CD2 C 13 23.407 0.046 . 1 . . . . . . . . 6399 1 970 . 1 1 149 149 LEU N N 15 119.178 0.000 . 1 . . . . . . . . 6399 1 971 . 1 1 150 150 ALA H H 1 8.774 0.006 . 1 . . . . . . . . 6399 1 972 . 1 1 150 150 ALA C C 13 181.224 0.005 . 1 . . . . . . . . 6399 1 973 . 1 1 150 150 ALA CA C 13 54.790 0.010 . 1 . . . . . . . . 6399 1 974 . 1 1 150 150 ALA CB C 13 16.692 0.040 . 1 . . . . . . . . 6399 1 975 . 1 1 150 150 ALA N N 15 124.610 0.000 . 1 . . . . . . . . 6399 1 976 . 1 1 151 151 LEU H H 1 7.307 0.012 . 1 . . . . . . . . 6399 1 977 . 1 1 151 151 LEU HD11 H 1 0.929 0.014 . 1 . . . . . . . . 6399 1 978 . 1 1 151 151 LEU HD12 H 1 0.929 0.014 . 1 . . . . . . . . 6399 1 979 . 1 1 151 151 LEU HD13 H 1 0.929 0.014 . 1 . . . . . . . . 6399 1 980 . 1 1 151 151 LEU HD21 H 1 0.894 0.010 . 1 . . . . . . . . 6399 1 981 . 1 1 151 151 LEU HD22 H 1 0.894 0.010 . 1 . . . . . . . . 6399 1 982 . 1 1 151 151 LEU HD23 H 1 0.894 0.010 . 1 . . . . . . . . 6399 1 983 . 1 1 151 151 LEU C C 13 179.962 0.004 . 1 . . . . . . . . 6399 1 984 . 1 1 151 151 LEU CA C 13 57.090 0.022 . 1 . . . . . . . . 6399 1 985 . 1 1 151 151 LEU CB C 13 40.808 0.078 . 1 . . . . . . . . 6399 1 986 . 1 1 151 151 LEU CD1 C 13 24.332 0.032 . 1 . . . . . . . . 6399 1 987 . 1 1 151 151 LEU CD2 C 13 23.394 0.041 . 1 . . . . . . . . 6399 1 988 . 1 1 151 151 LEU N N 15 119.226 0.000 . 1 . . . . . . . . 6399 1 989 . 1 1 152 152 ALA H H 1 8.237 0.009 . 1 . . . . . . . . 6399 1 990 . 1 1 152 152 ALA C C 13 179.701 0.013 . 1 . . . . . . . . 6399 1 991 . 1 1 152 152 ALA CA C 13 54.801 0.006 . 1 . . . . . . . . 6399 1 992 . 1 1 152 152 ALA CB C 13 17.769 0.045 . 1 . . . . . . . . 6399 1 993 . 1 1 152 152 ALA N N 15 122.445 0.000 . 1 . . . . . . . . 6399 1 994 . 1 1 153 153 THR H H 1 8.406 0.006 . 1 . . . . . . . . 6399 1 995 . 1 1 153 153 THR C C 13 176.094 0.016 . 1 . . . . . . . . 6399 1 996 . 1 1 153 153 THR CA C 13 65.676 0.006 . 1 . . . . . . . . 6399 1 997 . 1 1 153 153 THR CB C 13 68.553 0.048 . 1 . . . . . . . . 6399 1 998 . 1 1 153 153 THR N N 15 111.342 0.000 . 1 . . . . . . . . 6399 1 999 . 1 1 154 154 SER H H 1 7.402 0.010 . 1 . . . . . . . . 6399 1 1000 . 1 1 154 154 SER C C 13 174.286 0.006 . 1 . . . . . . . . 6399 1 1001 . 1 1 154 154 SER CA C 13 59.826 0.011 . 1 . . . . . . . . 6399 1 1002 . 1 1 154 154 SER CB C 13 63.552 0.008 . 1 . . . . . . . . 6399 1 1003 . 1 1 154 154 SER N N 15 116.070 0.000 . 1 . . . . . . . . 6399 1 1004 . 1 1 155 155 MET H H 1 7.536 0.002 . 1 . . . . . . . . 6399 1 1005 . 1 1 155 155 MET C C 13 175.385 0.022 . 1 . . . . . . . . 6399 1 1006 . 1 1 155 155 MET CA C 13 54.788 0.003 . 1 . . . . . . . . 6399 1 1007 . 1 1 155 155 MET CB C 13 33.907 0.004 . 1 . . . . . . . . 6399 1 1008 . 1 1 155 155 MET N N 15 119.111 0.000 . 1 . . . . . . . . 6399 1 1009 . 1 1 156 156 LYS H H 1 7.238 0.007 . 1 . . . . . . . . 6399 1 1010 . 1 1 156 156 LYS C C 13 176.957 0.000 . 1 . . . . . . . . 6399 1 1011 . 1 1 156 156 LYS CA C 13 57.884 0.000 . 1 . . . . . . . . 6399 1 1012 . 1 1 156 156 LYS CB C 13 32.244 0.000 . 1 . . . . . . . . 6399 1 1013 . 1 1 156 156 LYS N N 15 120.102 0.000 . 1 . . . . . . . . 6399 1 1014 . 1 1 159 159 PRO C C 13 178.763 0.000 . 1 . . . . . . . . 6399 1 1015 . 1 1 159 159 PRO CA C 13 65.767 0.000 . 1 . . . . . . . . 6399 1 1016 . 1 1 159 159 PRO CB C 13 30.949 0.000 . 1 . . . . . . . . 6399 1 1017 . 1 1 160 160 ARG H H 1 8.297 0.008 . 1 . . . . . . . . 6399 1 1018 . 1 1 160 160 ARG C C 13 177.447 0.039 . 1 . . . . . . . . 6399 1 1019 . 1 1 160 160 ARG CA C 13 56.883 0.005 . 1 . . . . . . . . 6399 1 1020 . 1 1 160 160 ARG CB C 13 28.734 0.073 . 1 . . . . . . . . 6399 1 1021 . 1 1 160 160 ARG N N 15 114.424 0.000 . 1 . . . . . . . . 6399 1 1022 . 1 1 161 161 HIS H H 1 8.136 0.009 . 1 . . . . . . . . 6399 1 1023 . 1 1 161 161 HIS C C 13 176.061 0.002 . 1 . . . . . . . . 6399 1 1024 . 1 1 161 161 HIS CA C 13 55.638 0.063 . 1 . . . . . . . . 6399 1 1025 . 1 1 161 161 HIS CB C 13 30.008 0.008 . 1 . . . . . . . . 6399 1 1026 . 1 1 161 161 HIS N N 15 119.880 0.000 . 1 . . . . . . . . 6399 1 1027 . 1 1 162 162 SER H H 1 8.314 0.004 . 1 . . . . . . . . 6399 1 1028 . 1 1 162 162 SER C C 13 176.149 0.051 . 1 . . . . . . . . 6399 1 1029 . 1 1 162 162 SER CA C 13 61.083 0.016 . 1 . . . . . . . . 6399 1 1030 . 1 1 162 162 SER CB C 13 62.157 0.029 . 1 . . . . . . . . 6399 1 1031 . 1 1 162 162 SER N N 15 118.734 0.000 . 1 . . . . . . . . 6399 1 1032 . 1 1 163 163 LYS H H 1 7.528 0.009 . 1 . . . . . . . . 6399 1 1033 . 1 1 163 163 LYS C C 13 178.338 0.001 . 1 . . . . . . . . 6399 1 1034 . 1 1 163 163 LYS CA C 13 58.354 0.097 . 1 . . . . . . . . 6399 1 1035 . 1 1 163 163 LYS CB C 13 29.931 0.011 . 1 . . . . . . . . 6399 1 1036 . 1 1 163 163 LYS N N 15 119.717 0.000 . 1 . . . . . . . . 6399 1 1037 . 1 1 164 164 ILE H H 1 8.090 0.007 . 1 . . . . . . . . 6399 1 1038 . 1 1 164 164 ILE HD11 H 1 0.715 0.010 . 1 . . . . . . . . 6399 1 1039 . 1 1 164 164 ILE HD12 H 1 0.715 0.010 . 1 . . . . . . . . 6399 1 1040 . 1 1 164 164 ILE HD13 H 1 0.715 0.010 . 1 . . . . . . . . 6399 1 1041 . 1 1 164 164 ILE C C 13 176.260 0.010 . 1 . . . . . . . . 6399 1 1042 . 1 1 164 164 ILE CA C 13 65.030 0.006 . 1 . . . . . . . . 6399 1 1043 . 1 1 164 164 ILE CB C 13 36.733 0.009 . 1 . . . . . . . . 6399 1 1044 . 1 1 164 164 ILE CD1 C 13 13.614 0.112 . 1 . . . . . . . . 6399 1 1045 . 1 1 164 164 ILE N N 15 123.134 0.000 . 1 . . . . . . . . 6399 1 1046 . 1 1 165 165 ASP H H 1 7.271 0.008 . 1 . . . . . . . . 6399 1 1047 . 1 1 165 165 ASP C C 13 179.095 0.001 . 1 . . . . . . . . 6399 1 1048 . 1 1 165 165 ASP CA C 13 56.606 0.020 . 1 . . . . . . . . 6399 1 1049 . 1 1 165 165 ASP CB C 13 39.325 0.009 . 1 . . . . . . . . 6399 1 1050 . 1 1 165 165 ASP N N 15 118.803 0.000 . 1 . . . . . . . . 6399 1 1051 . 1 1 166 166 LYS H H 1 7.149 0.009 . 1 . . . . . . . . 6399 1 1052 . 1 1 166 166 LYS C C 13 178.867 0.010 . 1 . . . . . . . . 6399 1 1053 . 1 1 166 166 LYS CA C 13 57.642 0.005 . 1 . . . . . . . . 6399 1 1054 . 1 1 166 166 LYS CB C 13 30.716 0.013 . 1 . . . . . . . . 6399 1 1055 . 1 1 166 166 LYS N N 15 118.573 0.000 . 1 . . . . . . . . 6399 1 1056 . 1 1 167 167 ALA H H 1 7.965 0.005 . 1 . . . . . . . . 6399 1 1057 . 1 1 167 167 ALA C C 13 178.815 0.010 . 1 . . . . . . . . 6399 1 1058 . 1 1 167 167 ALA CA C 13 54.888 0.010 . 1 . . . . . . . . 6399 1 1059 . 1 1 167 167 ALA CB C 13 16.654 0.040 . 1 . . . . . . . . 6399 1 1060 . 1 1 167 167 ALA N N 15 123.078 0.000 . 1 . . . . . . . . 6399 1 1061 . 1 1 168 168 MET H H 1 7.762 0.015 . 1 . . . . . . . . 6399 1 1062 . 1 1 168 168 MET C C 13 176.459 0.002 . 1 . . . . . . . . 6399 1 1063 . 1 1 168 168 MET CA C 13 57.994 0.019 . 1 . . . . . . . . 6399 1 1064 . 1 1 168 168 MET CB C 13 31.289 0.032 . 1 . . . . . . . . 6399 1 1065 . 1 1 168 168 MET N N 15 118.339 0.000 . 1 . . . . . . . . 6399 1 1066 . 1 1 169 169 GLU H H 1 7.000 0.006 . 1 . . . . . . . . 6399 1 1067 . 1 1 169 169 GLU C C 13 179.846 0.015 . 1 . . . . . . . . 6399 1 1068 . 1 1 169 169 GLU CA C 13 58.644 0.023 . 1 . . . . . . . . 6399 1 1069 . 1 1 169 169 GLU CB C 13 28.389 0.032 . 1 . . . . . . . . 6399 1 1070 . 1 1 169 169 GLU N N 15 115.806 0.000 . 1 . . . . . . . . 6399 1 1071 . 1 1 170 170 CYS H H 1 7.645 0.004 . 1 . . . . . . . . 6399 1 1072 . 1 1 170 170 CYS C C 13 177.505 0.008 . 1 . . . . . . . . 6399 1 1073 . 1 1 170 170 CYS CA C 13 64.351 0.001 . 1 . . . . . . . . 6399 1 1074 . 1 1 170 170 CYS CB C 13 25.090 0.081 . 1 . . . . . . . . 6399 1 1075 . 1 1 170 170 CYS N N 15 116.504 0.000 . 1 . . . . . . . . 6399 1 1076 . 1 1 171 171 VAL H H 1 8.613 0.008 . 1 . . . . . . . . 6399 1 1077 . 1 1 171 171 VAL HG11 H 1 1.278 0.009 . 1 . . . . . . . . 6399 1 1078 . 1 1 171 171 VAL HG12 H 1 1.278 0.009 . 1 . . . . . . . . 6399 1 1079 . 1 1 171 171 VAL HG13 H 1 1.278 0.009 . 1 . . . . . . . . 6399 1 1080 . 1 1 171 171 VAL HG21 H 1 1.258 0.013 . 1 . . . . . . . . 6399 1 1081 . 1 1 171 171 VAL HG22 H 1 1.258 0.013 . 1 . . . . . . . . 6399 1 1082 . 1 1 171 171 VAL HG23 H 1 1.258 0.013 . 1 . . . . . . . . 6399 1 1083 . 1 1 171 171 VAL C C 13 180.371 0.004 . 1 . . . . . . . . 6399 1 1084 . 1 1 171 171 VAL CA C 13 66.248 0.008 . 1 . . . . . . . . 6399 1 1085 . 1 1 171 171 VAL CB C 13 30.688 0.042 . 1 . . . . . . . . 6399 1 1086 . 1 1 171 171 VAL CG1 C 13 24.095 0.043 . 1 . . . . . . . . 6399 1 1087 . 1 1 171 171 VAL CG2 C 13 22.563 0.018 . 1 . . . . . . . . 6399 1 1088 . 1 1 171 171 VAL N N 15 121.735 0.000 . 1 . . . . . . . . 6399 1 1089 . 1 1 172 172 TRP H H 1 8.380 0.006 . 1 . . . . . . . . 6399 1 1090 . 1 1 172 172 TRP HE1 H 1 9.988 0.002 . 1 . . . . . . . . 6399 1 1091 . 1 1 172 172 TRP C C 13 177.547 0.016 . 1 . . . . . . . . 6399 1 1092 . 1 1 172 172 TRP CA C 13 58.327 0.003 . 1 . . . . . . . . 6399 1 1093 . 1 1 172 172 TRP CB C 13 28.412 0.120 . 1 . . . . . . . . 6399 1 1094 . 1 1 172 172 TRP N N 15 122.126 0.000 . 1 . . . . . . . . 6399 1 1095 . 1 1 172 172 TRP NE1 N 15 128.558 0.000 . 1 . . . . . . . . 6399 1 1096 . 1 1 173 173 LYS H H 1 7.418 0.005 . 1 . . . . . . . . 6399 1 1097 . 1 1 173 173 LYS C C 13 174.630 0.012 . 1 . . . . . . . . 6399 1 1098 . 1 1 173 173 LYS CA C 13 54.798 0.008 . 1 . . . . . . . . 6399 1 1099 . 1 1 173 173 LYS CB C 13 32.021 0.046 . 1 . . . . . . . . 6399 1 1100 . 1 1 173 173 LYS N N 15 117.052 0.000 . 1 . . . . . . . . 6399 1 1101 . 1 1 174 174 GLN H H 1 7.658 0.006 . 1 . . . . . . . . 6399 1 1102 . 1 1 174 174 GLN HE21 H 1 6.936 0.026 . 1 . . . . . . . . 6399 1 1103 . 1 1 174 174 GLN HE22 H 1 6.570 0.000 . 1 . . . . . . . . 6399 1 1104 . 1 1 174 174 GLN C C 13 173.951 0.008 . 1 . . . . . . . . 6399 1 1105 . 1 1 174 174 GLN CA C 13 56.068 0.003 . 1 . . . . . . . . 6399 1 1106 . 1 1 174 174 GLN CB C 13 23.913 0.004 . 1 . . . . . . . . 6399 1 1107 . 1 1 174 174 GLN N N 15 115.863 0.000 . 1 . . . . . . . . 6399 1 1108 . 1 1 174 174 GLN NE2 N 15 110.494 0.000 . 1 . . . . . . . . 6399 1 1109 . 1 1 175 175 LYS H H 1 7.951 0.002 . 1 . . . . . . . . 6399 1 1110 . 1 1 175 175 LYS C C 13 174.388 0.005 . 1 . . . . . . . . 6399 1 1111 . 1 1 175 175 LYS CA C 13 53.506 0.006 . 1 . . . . . . . . 6399 1 1112 . 1 1 175 175 LYS CB C 13 34.502 0.012 . 1 . . . . . . . . 6399 1 1113 . 1 1 175 175 LYS N N 15 119.306 0.000 . 1 . . . . . . . . 6399 1 1114 . 1 1 176 176 LEU H H 1 8.004 0.006 . 1 . . . . . . . . 6399 1 1115 . 1 1 176 176 LEU HD11 H 1 0.883 0.006 . 1 . . . . . . . . 6399 1 1116 . 1 1 176 176 LEU HD12 H 1 0.883 0.006 . 1 . . . . . . . . 6399 1 1117 . 1 1 176 176 LEU HD13 H 1 0.883 0.006 . 1 . . . . . . . . 6399 1 1118 . 1 1 176 176 LEU HD21 H 1 0.494 0.006 . 1 . . . . . . . . 6399 1 1119 . 1 1 176 176 LEU HD22 H 1 0.494 0.006 . 1 . . . . . . . . 6399 1 1120 . 1 1 176 176 LEU HD23 H 1 0.494 0.006 . 1 . . . . . . . . 6399 1 1121 . 1 1 176 176 LEU C C 13 175.227 0.011 . 1 . . . . . . . . 6399 1 1122 . 1 1 176 176 LEU CA C 13 53.601 0.030 . 1 . . . . . . . . 6399 1 1123 . 1 1 176 176 LEU CB C 13 42.441 0.040 . 1 . . . . . . . . 6399 1 1124 . 1 1 176 176 LEU CD1 C 13 25.678 0.010 . 1 . . . . . . . . 6399 1 1125 . 1 1 176 176 LEU CD2 C 13 23.009 0.032 . 1 . . . . . . . . 6399 1 1126 . 1 1 176 176 LEU N N 15 116.536 0.000 . 1 . . . . . . . . 6399 1 1127 . 1 1 177 177 TYR H H 1 6.125 0.009 . 1 . . . . . . . . 6399 1 1128 . 1 1 177 177 TYR C C 13 173.311 0.008 . 1 . . . . . . . . 6399 1 1129 . 1 1 177 177 TYR CA C 13 54.020 0.028 . 1 . . . . . . . . 6399 1 1130 . 1 1 177 177 TYR CB C 13 38.302 0.043 . 1 . . . . . . . . 6399 1 1131 . 1 1 177 177 TYR N N 15 114.047 0.000 . 1 . . . . . . . . 6399 1 1132 . 1 1 178 178 GLU H H 1 8.580 0.008 . 1 . . . . . . . . 6399 1 1133 . 1 1 178 178 GLU C C 13 174.286 0.000 . 1 . . . . . . . . 6399 1 1134 . 1 1 178 178 GLU CA C 13 53.359 0.000 . 1 . . . . . . . . 6399 1 1135 . 1 1 178 178 GLU CB C 13 29.738 0.000 . 1 . . . . . . . . 6399 1 1136 . 1 1 178 178 GLU N N 15 119.190 0.000 . 1 . . . . . . . . 6399 1 1137 . 1 1 179 179 PRO C C 13 176.040 0.000 . 1 . . . . . . . . 6399 1 1138 . 1 1 179 179 PRO CA C 13 62.345 0.007 . 1 . . . . . . . . 6399 1 1139 . 1 1 179 179 PRO CB C 13 30.540 0.014 . 1 . . . . . . . . 6399 1 1140 . 1 1 180 180 VAL H H 1 9.664 0.009 . 1 . . . . . . . . 6399 1 1141 . 1 1 180 180 VAL HG11 H 1 1.163 0.015 . 1 . . . . . . . . 6399 1 1142 . 1 1 180 180 VAL HG12 H 1 1.163 0.015 . 1 . . . . . . . . 6399 1 1143 . 1 1 180 180 VAL HG13 H 1 1.163 0.015 . 1 . . . . . . . . 6399 1 1144 . 1 1 180 180 VAL HG21 H 1 1.039 0.007 . 1 . . . . . . . . 6399 1 1145 . 1 1 180 180 VAL HG22 H 1 1.039 0.007 . 1 . . . . . . . . 6399 1 1146 . 1 1 180 180 VAL HG23 H 1 1.039 0.007 . 1 . . . . . . . . 6399 1 1147 . 1 1 180 180 VAL C C 13 175.928 0.061 . 1 . . . . . . . . 6399 1 1148 . 1 1 180 180 VAL CA C 13 63.549 0.004 . 1 . . . . . . . . 6399 1 1149 . 1 1 180 180 VAL CB C 13 31.696 0.013 . 1 . . . . . . . . 6399 1 1150 . 1 1 180 180 VAL CG1 C 13 20.471 0.021 . 1 . . . . . . . . 6399 1 1151 . 1 1 180 180 VAL CG2 C 13 22.149 0.023 . 1 . . . . . . . . 6399 1 1152 . 1 1 180 180 VAL N N 15 122.782 0.000 . 1 . . . . . . . . 6399 1 1153 . 1 1 181 181 VAL H H 1 7.855 0.006 . 1 . . . . . . . . 6399 1 1154 . 1 1 181 181 VAL HG11 H 1 0.674 0.008 . 1 . . . . . . . . 6399 1 1155 . 1 1 181 181 VAL HG12 H 1 0.674 0.008 . 1 . . . . . . . . 6399 1 1156 . 1 1 181 181 VAL HG13 H 1 0.674 0.008 . 1 . . . . . . . . 6399 1 1157 . 1 1 181 181 VAL HG21 H 1 0.776 0.010 . 1 . . . . . . . . 6399 1 1158 . 1 1 181 181 VAL HG22 H 1 0.776 0.010 . 1 . . . . . . . . 6399 1 1159 . 1 1 181 181 VAL HG23 H 1 0.776 0.010 . 1 . . . . . . . . 6399 1 1160 . 1 1 181 181 VAL C C 13 176.053 0.014 . 1 . . . . . . . . 6399 1 1161 . 1 1 181 181 VAL CA C 13 57.967 0.010 . 1 . . . . . . . . 6399 1 1162 . 1 1 181 181 VAL CB C 13 34.659 0.008 . 1 . . . . . . . . 6399 1 1163 . 1 1 181 181 VAL CG1 C 13 18.218 0.012 . 1 . . . . . . . . 6399 1 1164 . 1 1 181 181 VAL CG2 C 13 21.817 0.048 . 1 . . . . . . . . 6399 1 1165 . 1 1 181 181 VAL N N 15 117.637 0.000 . 1 . . . . . . . . 6399 1 1166 . 1 1 182 182 ILE H H 1 9.593 0.008 . 1 . . . . . . . . 6399 1 1167 . 1 1 182 182 ILE HD11 H 1 0.262 0.015 . 1 . . . . . . . . 6399 1 1168 . 1 1 182 182 ILE HD12 H 1 0.262 0.015 . 1 . . . . . . . . 6399 1 1169 . 1 1 182 182 ILE HD13 H 1 0.262 0.015 . 1 . . . . . . . . 6399 1 1170 . 1 1 182 182 ILE C C 13 175.268 0.000 . 1 . . . . . . . . 6399 1 1171 . 1 1 182 182 ILE CA C 13 59.801 0.000 . 1 . . . . . . . . 6399 1 1172 . 1 1 182 182 ILE CB C 13 36.386 0.000 . 1 . . . . . . . . 6399 1 1173 . 1 1 182 182 ILE CD1 C 13 13.328 0.024 . 1 . . . . . . . . 6399 1 1174 . 1 1 182 182 ILE N N 15 125.416 0.000 . 1 . . . . . . . . 6399 1 1175 . 1 1 183 183 PRO C C 13 176.755 0.006 . 1 . . . . . . . . 6399 1 1176 . 1 1 183 183 PRO CA C 13 62.971 0.008 . 1 . . . . . . . . 6399 1 1177 . 1 1 183 183 PRO CB C 13 31.498 0.000 . 1 . . . . . . . . 6399 1 1178 . 1 1 184 184 VAL H H 1 8.261 0.004 . 1 . . . . . . . . 6399 1 1179 . 1 1 184 184 VAL HG11 H 1 0.955 0.003 . 1 . . . . . . . . 6399 1 1180 . 1 1 184 184 VAL HG12 H 1 0.955 0.003 . 1 . . . . . . . . 6399 1 1181 . 1 1 184 184 VAL HG13 H 1 0.955 0.003 . 1 . . . . . . . . 6399 1 1182 . 1 1 184 184 VAL HG21 H 1 0.786 0.010 . 1 . . . . . . . . 6399 1 1183 . 1 1 184 184 VAL HG22 H 1 0.786 0.010 . 1 . . . . . . . . 6399 1 1184 . 1 1 184 184 VAL HG23 H 1 0.786 0.010 . 1 . . . . . . . . 6399 1 1185 . 1 1 184 184 VAL C C 13 177.542 0.010 . 1 . . . . . . . . 6399 1 1186 . 1 1 184 184 VAL CA C 13 63.742 0.022 . 1 . . . . . . . . 6399 1 1187 . 1 1 184 184 VAL CB C 13 30.917 0.090 . 1 . . . . . . . . 6399 1 1188 . 1 1 184 184 VAL CG1 C 13 21.588 0.010 . 1 . . . . . . . . 6399 1 1189 . 1 1 184 184 VAL CG2 C 13 21.079 0.011 . 1 . . . . . . . . 6399 1 1190 . 1 1 184 184 VAL N N 15 123.299 0.000 . 1 . . . . . . . . 6399 1 1191 . 1 1 185 185 GLY H H 1 9.427 0.004 . 1 . . . . . . . . 6399 1 1192 . 1 1 185 185 GLY C C 13 173.853 0.005 . 1 . . . . . . . . 6399 1 1193 . 1 1 185 185 GLY CA C 13 44.588 0.010 . 1 . . . . . . . . 6399 1 1194 . 1 1 185 185 GLY N N 15 113.929 0.000 . 1 . . . . . . . . 6399 1 1195 . 1 1 186 186 LYS H H 1 7.434 0.006 . 1 . . . . . . . . 6399 1 1196 . 1 1 186 186 LYS C C 13 173.094 0.015 . 1 . . . . . . . . 6399 1 1197 . 1 1 186 186 LYS CA C 13 55.498 0.005 . 1 . . . . . . . . 6399 1 1198 . 1 1 186 186 LYS CB C 13 29.920 0.013 . 1 . . . . . . . . 6399 1 1199 . 1 1 186 186 LYS N N 15 121.087 0.000 . 1 . . . . . . . . 6399 1 1200 . 1 1 187 187 LEU H H 1 7.826 0.008 . 1 . . . . . . . . 6399 1 1201 . 1 1 187 187 LEU HD11 H 1 1.130 0.008 . 1 . . . . . . . . 6399 1 1202 . 1 1 187 187 LEU HD12 H 1 1.130 0.008 . 1 . . . . . . . . 6399 1 1203 . 1 1 187 187 LEU HD13 H 1 1.130 0.008 . 1 . . . . . . . . 6399 1 1204 . 1 1 187 187 LEU HD21 H 1 1.027 0.010 . 1 . . . . . . . . 6399 1 1205 . 1 1 187 187 LEU HD22 H 1 1.027 0.010 . 1 . . . . . . . . 6399 1 1206 . 1 1 187 187 LEU HD23 H 1 1.027 0.010 . 1 . . . . . . . . 6399 1 1207 . 1 1 187 187 LEU C C 13 177.256 0.001 . 1 . . . . . . . . 6399 1 1208 . 1 1 187 187 LEU CA C 13 52.026 0.006 . 1 . . . . . . . . 6399 1 1209 . 1 1 187 187 LEU CB C 13 44.598 0.027 . 1 . . . . . . . . 6399 1 1210 . 1 1 187 187 LEU CD1 C 13 26.991 0.024 . 1 . . . . . . . . 6399 1 1211 . 1 1 187 187 LEU CD2 C 13 23.121 0.030 . 1 . . . . . . . . 6399 1 1212 . 1 1 187 187 LEU N N 15 122.835 0.000 . 1 . . . . . . . . 6399 1 1213 . 1 1 188 188 PHE H H 1 8.850 0.009 . 1 . . . . . . . . 6399 1 1214 . 1 1 188 188 PHE C C 13 177.434 0.048 . 1 . . . . . . . . 6399 1 1215 . 1 1 188 188 PHE CA C 13 59.935 0.004 . 1 . . . . . . . . 6399 1 1216 . 1 1 188 188 PHE CB C 13 39.504 0.006 . 1 . . . . . . . . 6399 1 1217 . 1 1 188 188 PHE N N 15 115.559 0.000 . 1 . . . . . . . . 6399 1 1218 . 1 1 189 189 ARG H H 1 9.573 0.006 . 1 . . . . . . . . 6399 1 1219 . 1 1 189 189 ARG C C 13 173.116 0.000 . 1 . . . . . . . . 6399 1 1220 . 1 1 189 189 ARG CA C 13 53.463 0.000 . 1 . . . . . . . . 6399 1 1221 . 1 1 189 189 ARG CB C 13 30.528 0.000 . 1 . . . . . . . . 6399 1 1222 . 1 1 189 189 ARG N N 15 128.151 0.000 . 1 . . . . . . . . 6399 1 1223 . 1 1 190 190 PRO C C 13 175.347 0.011 . 1 . . . . . . . . 6399 1 1224 . 1 1 190 190 PRO CA C 13 61.448 0.006 . 1 . . . . . . . . 6399 1 1225 . 1 1 190 190 PRO CB C 13 29.878 0.052 . 1 . . . . . . . . 6399 1 1226 . 1 1 191 191 ASN H H 1 8.472 0.003 . 1 . . . . . . . . 6399 1 1227 . 1 1 191 191 ASN HD21 H 1 7.709 0.018 . 1 . . . . . . . . 6399 1 1228 . 1 1 191 191 ASN HD22 H 1 7.003 0.002 . 1 . . . . . . . . 6399 1 1229 . 1 1 191 191 ASN C C 13 175.821 0.002 . 1 . . . . . . . . 6399 1 1230 . 1 1 191 191 ASN CA C 13 52.609 0.003 . 1 . . . . . . . . 6399 1 1231 . 1 1 191 191 ASN CB C 13 38.821 0.017 . 1 . . . . . . . . 6399 1 1232 . 1 1 191 191 ASN N N 15 119.788 0.000 . 1 . . . . . . . . 6399 1 1233 . 1 1 191 191 ASN ND2 N 15 113.459 0.000 . 1 . . . . . . . . 6399 1 1234 . 1 1 192 192 GLU H H 1 8.871 0.008 . 1 . . . . . . . . 6399 1 1235 . 1 1 192 192 GLU C C 13 178.571 0.014 . 1 . . . . . . . . 6399 1 1236 . 1 1 192 192 GLU CA C 13 59.083 0.001 . 1 . . . . . . . . 6399 1 1237 . 1 1 192 192 GLU CB C 13 28.676 0.004 . 1 . . . . . . . . 6399 1 1238 . 1 1 192 192 GLU N N 15 121.532 0.000 . 1 . . . . . . . . 6399 1 1239 . 1 1 193 193 ARG H H 1 8.187 0.014 . 1 . . . . . . . . 6399 1 1240 . 1 1 193 193 ARG C C 13 178.656 0.025 . 1 . . . . . . . . 6399 1 1241 . 1 1 193 193 ARG CA C 13 58.076 0.005 . 1 . . . . . . . . 6399 1 1242 . 1 1 193 193 ARG CB C 13 28.724 0.042 . 1 . . . . . . . . 6399 1 1243 . 1 1 193 193 ARG N N 15 120.262 0.000 . 1 . . . . . . . . 6399 1 1244 . 1 1 194 194 GLN H H 1 8.017 0.009 . 1 . . . . . . . . 6399 1 1245 . 1 1 194 194 GLN HE21 H 1 7.671 0.015 . 1 . . . . . . . . 6399 1 1246 . 1 1 194 194 GLN HE22 H 1 6.833 0.005 . 1 . . . . . . . . 6399 1 1247 . 1 1 194 194 GLN C C 13 178.186 0.004 . 1 . . . . . . . . 6399 1 1248 . 1 1 194 194 GLN CA C 13 57.919 0.027 . 1 . . . . . . . . 6399 1 1249 . 1 1 194 194 GLN CB C 13 28.011 0.023 . 1 . . . . . . . . 6399 1 1250 . 1 1 194 194 GLN N N 15 119.433 0.000 . 1 . . . . . . . . 6399 1 1251 . 1 1 194 194 GLN NE2 N 15 111.986 0.000 . 1 . . . . . . . . 6399 1 1252 . 1 1 195 195 VAL H H 1 8.050 0.005 . 1 . . . . . . . . 6399 1 1253 . 1 1 195 195 VAL HG11 H 1 0.840 0.019 . 1 . . . . . . . . 6399 1 1254 . 1 1 195 195 VAL HG12 H 1 0.840 0.019 . 1 . . . . . . . . 6399 1 1255 . 1 1 195 195 VAL HG13 H 1 0.840 0.019 . 1 . . . . . . . . 6399 1 1256 . 1 1 195 195 VAL HG21 H 1 0.774 0.006 . 1 . . . . . . . . 6399 1 1257 . 1 1 195 195 VAL HG22 H 1 0.774 0.006 . 1 . . . . . . . . 6399 1 1258 . 1 1 195 195 VAL HG23 H 1 0.774 0.006 . 1 . . . . . . . . 6399 1 1259 . 1 1 195 195 VAL C C 13 178.305 0.022 . 1 . . . . . . . . 6399 1 1260 . 1 1 195 195 VAL CA C 13 64.993 0.002 . 1 . . . . . . . . 6399 1 1261 . 1 1 195 195 VAL CB C 13 30.973 0.014 . 1 . . . . . . . . 6399 1 1262 . 1 1 195 195 VAL CG1 C 13 21.251 0.022 . 1 . . . . . . . . 6399 1 1263 . 1 1 195 195 VAL CG2 C 13 22.175 0.036 . 1 . . . . . . . . 6399 1 1264 . 1 1 195 195 VAL N N 15 118.016 0.000 . 1 . . . . . . . . 6399 1 1265 . 1 1 196 196 ALA H H 1 7.962 0.012 . 1 . . . . . . . . 6399 1 1266 . 1 1 196 196 ALA C C 13 179.550 0.007 . 1 . . . . . . . . 6399 1 1267 . 1 1 196 196 ALA CA C 13 53.922 0.009 . 1 . . . . . . . . 6399 1 1268 . 1 1 196 196 ALA CB C 13 17.522 0.038 . 1 . . . . . . . . 6399 1 1269 . 1 1 196 196 ALA N N 15 122.744 0.000 . 1 . . . . . . . . 6399 1 1270 . 1 1 197 197 GLN H H 1 7.714 0.012 . 1 . . . . . . . . 6399 1 1271 . 1 1 197 197 GLN HE21 H 1 7.426 0.005 . 1 . . . . . . . . 6399 1 1272 . 1 1 197 197 GLN HE22 H 1 6.817 0.000 . 1 . . . . . . . . 6399 1 1273 . 1 1 197 197 GLN C C 13 177.238 0.002 . 1 . . . . . . . . 6399 1 1274 . 1 1 197 197 GLN CA C 13 56.765 0.000 . 1 . . . . . . . . 6399 1 1275 . 1 1 197 197 GLN CB C 13 28.181 0.035 . 1 . . . . . . . . 6399 1 1276 . 1 1 197 197 GLN N N 15 115.955 0.000 . 1 . . . . . . . . 6399 1 1277 . 1 1 197 197 GLN NE2 N 15 111.485 0.000 . 1 . . . . . . . . 6399 1 1278 . 1 1 198 198 LEU H H 1 7.756 0.019 . 1 . . . . . . . . 6399 1 1279 . 1 1 198 198 LEU HD11 H 1 0.933 0.021 . 1 . . . . . . . . 6399 1 1280 . 1 1 198 198 LEU HD12 H 1 0.933 0.021 . 1 . . . . . . . . 6399 1 1281 . 1 1 198 198 LEU HD13 H 1 0.933 0.021 . 1 . . . . . . . . 6399 1 1282 . 1 1 198 198 LEU HD21 H 1 0.862 0.012 . 1 . . . . . . . . 6399 1 1283 . 1 1 198 198 LEU HD22 H 1 0.862 0.012 . 1 . . . . . . . . 6399 1 1284 . 1 1 198 198 LEU HD23 H 1 0.862 0.012 . 1 . . . . . . . . 6399 1 1285 . 1 1 198 198 LEU C C 13 177.562 0.002 . 1 . . . . . . . . 6399 1 1286 . 1 1 198 198 LEU CA C 13 55.342 0.006 . 1 . . . . . . . . 6399 1 1287 . 1 1 198 198 LEU CB C 13 40.671 0.001 . 1 . . . . . . . . 6399 1 1288 . 1 1 198 198 LEU CD1 C 13 25.427 0.039 . 1 . . . . . . . . 6399 1 1289 . 1 1 198 198 LEU CD2 C 13 22.869 0.026 . 1 . . . . . . . . 6399 1 1290 . 1 1 198 198 LEU N N 15 118.493 0.000 . 1 . . . . . . . . 6399 1 1291 . 1 1 199 199 ALA H H 1 7.757 0.014 . 1 . . . . . . . . 6399 1 1292 . 1 1 199 199 ALA C C 13 177.869 0.016 . 1 . . . . . . . . 6399 1 1293 . 1 1 199 199 ALA CA C 13 52.313 0.003 . 1 . . . . . . . . 6399 1 1294 . 1 1 199 199 ALA CB C 13 18.239 0.025 . 1 . . . . . . . . 6399 1 1295 . 1 1 199 199 ALA N N 15 121.670 0.000 . 1 . . . . . . . . 6399 1 1296 . 1 1 200 200 LYS H H 1 7.951 0.004 . 1 . . . . . . . . 6399 1 1297 . 1 1 200 200 LYS C C 13 176.771 0.005 . 1 . . . . . . . . 6399 1 1298 . 1 1 200 200 LYS CA C 13 56.031 0.001 . 1 . . . . . . . . 6399 1 1299 . 1 1 200 200 LYS CB C 13 31.816 0.011 . 1 . . . . . . . . 6399 1 1300 . 1 1 200 200 LYS N N 15 119.569 0.000 . 1 . . . . . . . . 6399 1 1301 . 1 1 201 201 LYS H H 1 8.197 0.004 . 1 . . . . . . . . 6399 1 1302 . 1 1 201 201 LYS C C 13 176.268 0.004 . 1 . . . . . . . . 6399 1 1303 . 1 1 201 201 LYS CA C 13 56.042 0.003 . 1 . . . . . . . . 6399 1 1304 . 1 1 201 201 LYS CB C 13 31.985 0.017 . 1 . . . . . . . . 6399 1 1305 . 1 1 201 201 LYS N N 15 121.613 0.000 . 1 . . . . . . . . 6399 1 1306 . 1 1 202 202 ASP H H 1 8.290 0.002 . 1 . . . . . . . . 6399 1 1307 . 1 1 202 202 ASP C C 13 176.063 0.013 . 1 . . . . . . . . 6399 1 1308 . 1 1 202 202 ASP CA C 13 54.002 0.001 . 1 . . . . . . . . 6399 1 1309 . 1 1 202 202 ASP CB C 13 40.473 0.039 . 1 . . . . . . . . 6399 1 1310 . 1 1 202 202 ASP N N 15 120.469 0.000 . 1 . . . . . . . . 6399 1 1311 . 1 1 203 203 TYR H H 1 8.023 0.004 . 1 . . . . . . . . 6399 1 1312 . 1 1 203 203 TYR C C 13 175.920 0.006 . 1 . . . . . . . . 6399 1 1313 . 1 1 203 203 TYR CA C 13 57.841 0.011 . 1 . . . . . . . . 6399 1 1314 . 1 1 203 203 TYR CB C 13 37.900 0.010 . 1 . . . . . . . . 6399 1 1315 . 1 1 203 203 TYR N N 15 119.859 0.000 . 1 . . . . . . . . 6399 1 1316 . 1 1 204 204 LEU H H 1 8.099 0.003 . 1 . . . . . . . . 6399 1 1317 . 1 1 204 204 LEU HD11 H 1 0.831 0.027 . 1 . . . . . . . . 6399 1 1318 . 1 1 204 204 LEU HD12 H 1 0.831 0.027 . 1 . . . . . . . . 6399 1 1319 . 1 1 204 204 LEU HD13 H 1 0.831 0.027 . 1 . . . . . . . . 6399 1 1320 . 1 1 204 204 LEU HD21 H 1 0.886 0.000 . 1 . . . . . . . . 6399 1 1321 . 1 1 204 204 LEU HD22 H 1 0.886 0.000 . 1 . . . . . . . . 6399 1 1322 . 1 1 204 204 LEU HD23 H 1 0.886 0.000 . 1 . . . . . . . . 6399 1 1323 . 1 1 204 204 LEU C C 13 177.708 0.007 . 1 . . . . . . . . 6399 1 1324 . 1 1 204 204 LEU CA C 13 54.878 0.001 . 1 . . . . . . . . 6399 1 1325 . 1 1 204 204 LEU CB C 13 41.137 0.016 . 1 . . . . . . . . 6399 1 1326 . 1 1 204 204 LEU CD1 C 13 23.219 0.025 . 1 . . . . . . . . 6399 1 1327 . 1 1 204 204 LEU CD2 C 13 24.936 0.024 . 1 . . . . . . . . 6399 1 1328 . 1 1 204 204 LEU N N 15 123.266 0.000 . 1 . . . . . . . . 6399 1 1329 . 1 1 205 205 GLY H H 1 7.909 0.014 . 1 . . . . . . . . 6399 1 1330 . 1 1 205 205 GLY C C 13 173.839 0.007 . 1 . . . . . . . . 6399 1 1331 . 1 1 205 205 GLY CA C 13 44.891 0.002 . 1 . . . . . . . . 6399 1 1332 . 1 1 205 205 GLY N N 15 108.661 0.000 . 1 . . . . . . . . 6399 1 1333 . 1 1 206 206 LYS H H 1 8.045 0.002 . 1 . . . . . . . . 6399 1 1334 . 1 1 206 206 LYS C C 13 176.210 0.011 . 1 . . . . . . . . 6399 1 1335 . 1 1 206 206 LYS CA C 13 55.610 0.001 . 1 . . . . . . . . 6399 1 1336 . 1 1 206 206 LYS CB C 13 32.410 0.016 . 1 . . . . . . . . 6399 1 1337 . 1 1 206 206 LYS N N 15 120.696 0.000 . 1 . . . . . . . . 6399 1 1338 . 1 1 207 207 ALA H H 1 8.407 0.001 . 1 . . . . . . . . 6399 1 1339 . 1 1 207 207 ALA C C 13 177.101 0.013 . 1 . . . . . . . . 6399 1 1340 . 1 1 207 207 ALA CA C 13 52.180 0.005 . 1 . . . . . . . . 6399 1 1341 . 1 1 207 207 ALA CB C 13 18.524 0.013 . 1 . . . . . . . . 6399 1 1342 . 1 1 207 207 ALA N N 15 126.129 0.000 . 1 . . . . . . . . 6399 1 1343 . 1 1 208 208 THR H H 1 7.732 0.002 . 1 . . . . . . . . 6399 1 1344 . 1 1 208 208 THR C C 13 179.319 0.000 . 1 . . . . . . . . 6399 1 1345 . 1 1 208 208 THR CA C 13 62.663 0.000 . 1 . . . . . . . . 6399 1 1346 . 1 1 208 208 THR CB C 13 70.313 0.000 . 1 . . . . . . . . 6399 1 1347 . 1 1 208 208 THR N N 15 118.622 0.000 . 1 . . . . . . . . 6399 1 stop_ save_