data_6269 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6269 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for chPrP(128-242) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-22 _Entry.Accession_date 2004-07-22 _Entry.Last_release_date 2004-07-22 _Entry.Original_release_date 2004-07-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Dominikus Lysek . A. . . 6269 2 Luigi Calzolai . . . . 6269 3 Kurt Wuthrich . . . . 6269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 6269 '15N chemical shifts' 135 6269 '1H chemical shifts' 804 6269 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 . . 2004-10-18 . original BMRB . 6269 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6269 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15459548 _Citation.Full_citation . _Citation.Title ; Letters to the Editor: NMR assignment of the chicken prion protein fragments chPrP(128-242) and chPrP(25-242) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 97 _Citation.Page_last 97 _Citation.Year 2004 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dominikus Lysek . A. . . 6269 1 2 Luigi Calzolai . . . . 6269 1 3 Kurt Wuthrich . . . . 6269 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6269 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1715573 _Citation.Full_citation ; Harris DA, Falls DL, Johnson FA, Fischbach GD. Related Articles, Links Free in PMC A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity. Proc Natl Acad Sci U S A. 1991 Sep 1;88(17):7664-8. ; _Citation.Title ; A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 88 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 7664 _Citation.Page_last 7668 _Citation.Year 1991 _Citation.Details ; The mammalian prion protein (PrPC) is a cellular protein of unknown function, an altered isoform of which (PrPSc) is a component of the infectious particle (prion) thought to be responsible for spongiform encephalopathies in humans and animals. We report here the isolation of a cDNA that encodes a chicken protein that is homologous to PrPC. This chicken prion-like protein (ch-PrLP) is identical to the mouse PrP at 33% of its amino acid positions, including an uninterrupted stretch of 24 identical residues, and it displays the same structural domains. In addition, ch-PrLP, like its mammalian counterpart, is attached to the cell surface by a glycosyl-phosphatidylinositol anchor. We find that ch-PrLP is the major protein in preparations of an acetylcholine receptor-inducing activity that has been purified greater than 10(6)-fold from brain on the basis of its ability to stimulate synthesis of nicotinic receptors by cultured myotubes. The ch-PrLP gene is expressed in the spinal cord and brain as early as embryonic day 6; and in the spinal cord, the protein appears to be concentrated in motor neurons. Our results therefore raise the possibility that prion proteins serve normally to regulate the chemoreceptor number at the neuromuscular junction and perhaps in the central nervous system as well. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D A' Harris D. A. . . 6269 2 2 'D L' Falls D. L. . . 6269 2 3 'F A' Johnson F. A. . . 6269 2 4 'G D' Fischbach G. D. . . 6269 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6269 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9280298 _Citation.Full_citation ; Riek R, Hornemann S, Wider G, Glockshuber R, Wuthrich K. Related Articles, Links Abstract NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231). FEBS Lett. 1997 Aug 18;413(2):282-8. ; _Citation.Title ; NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 413 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 282 _Citation.Page_last 288 _Citation.Year 1997 _Citation.Details ; The recombinant murine prion protein, mPrP(23-231), was expressed in E. coli with uniform 15N-labeling. NMR experiments showed that the previously determined globular three-dimensional structure of the C-terminal domain mPrP(121-231) is preserved in the intact protein, and that the N-terminal polypeptide segment 23-120 is flexibly disordered. This structural information is based on nearly complete sequence-specific assignments for the backbone amide nitrogens, amide protons and alpha-protols of the polypeptide segment of residues 121-231 in mPrP(23-231). Coincidence of corresponding sequential and medium-range nuclear Overhauser effects (NOE) showed that the helical secondary structures previously identified in mPrP(121-231) are also present in mPrP(23-231), and near-identity of corresponding amide nitrogen and amide proton chemical shifts indicates that the three-dimensional fold of mPrP(121-231) is also preserved in the intact protein. The linewidths in heteronuclear 1H-15N correlation spectra and 15N[1H]-NOEs showed that the well structured residues 126-230 have correlation times of several nanoseconds, as is typical for small globular proteins, whereas correlation times shorter than 1 nanosecond were observed for all residues of mPrP(23-231) outside of this domain. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R Riek R. . . . 6269 3 2 S Hornemann S. . . . 6269 3 3 G Wider G. . . . 6269 3 4 R Glockshuber R. . . . 6269 3 5 K Wuthrich K. . . . 6269 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_chPrP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_chPrP _Assembly.Entry_ID 6269 _Assembly.ID 1 _Assembly.Name 'chPrP (128-242)' _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 disulfide bound' _Assembly.Molecular_mass . _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 6269 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 'chPrP (128-242)' 1 $chPrP . . . native . . . . . 6269 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . . . 6269 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID chPrP abbreviation 6269 1 'chPrP (128-242)' system 6269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_chPrP _Entity.Sf_category entity _Entity.Sf_framecode chPrP _Entity.Entry_ID 6269 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chicken prion protein' _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 ; GSVVGGLGGYAMGRVMSGMN YHFDRPDEYRWWSENSARYP NRVYYRDYSSPVPQDVFVAD CFNITVTEYSIGPAAKKNTS EAVAAANQTEVEMENKVVTK VIREMCVQQYREYRLAS ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1U3M . 'Nmr Structure Of The Chicken Prion Protein Fragment 128-242' . . . . . 100.00 117 100.00 100.00 2.19e-63 . . . . 6269 1 . . GenBank AAA49041 . 'prion-like protein' . . . . . 100.00 267 99.15 100.00 2.16e-63 . . . . 6269 1 . . GenBank AAC28970 . 'prion protein [Gallus gallus]' . . . . . 100.00 273 98.29 99.15 8.34e-63 . . . . 6269 1 . . GenBank AAR21237 . 'prion protein [Melopsittacus undulatus]' . . . . . 92.31 273 98.15 98.15 9.16e-57 . . . . 6269 1 . . REF NP_990796 . 'prion protein [Gallus gallus]' . . . . . 100.00 267 99.15 100.00 2.16e-63 . . . . 6269 1 . . SWISS-PROT P27177 . 'Major prion protein homolog precursor (PR-LP) (Acetylcholine receptor-inducing activity) (ARIA) (65-21 protein)' . . . . . 100.00 273 98.29 99.15 8.34e-63 . . . . 6269 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID chPrP abbreviation 6269 1 'chicken prion protein' common 6269 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 1 126 GLY . 6269 1 2 127 SER . 6269 1 3 128 VAL . 6269 1 4 129 VAL . 6269 1 5 130 GLY . 6269 1 6 131 GLY . 6269 1 7 132 LEU . 6269 1 8 133 GLY . 6269 1 9 134 GLY . 6269 1 10 135 TYR . 6269 1 11 136 ALA . 6269 1 12 137 MET . 6269 1 13 138 GLY . 6269 1 14 139 ARG . 6269 1 15 140 VAL . 6269 1 16 141 MET . 6269 1 17 142 SER . 6269 1 18 143 GLY . 6269 1 19 144 MET . 6269 1 20 145 ASN . 6269 1 21 146 TYR . 6269 1 22 147 HIS . 6269 1 23 148 PHE . 6269 1 24 149 ASP . 6269 1 25 150 ARG . 6269 1 26 151 PRO . 6269 1 27 152 ASP . 6269 1 28 153 GLU . 6269 1 29 154 TYR . 6269 1 30 155 ARG . 6269 1 31 156 TRP . 6269 1 32 157 TRP . 6269 1 33 158 SER . 6269 1 34 159 GLU . 6269 1 35 160 ASN . 6269 1 36 161 SER . 6269 1 37 162 ALA . 6269 1 38 163 ARG . 6269 1 39 164 TYR . 6269 1 40 165 PRO . 6269 1 41 166 ASN . 6269 1 42 167 ARG . 6269 1 43 168 VAL . 6269 1 44 169 TYR . 6269 1 45 170 TYR . 6269 1 46 171 ARG . 6269 1 47 172 ASP . 6269 1 48 173 TYR . 6269 1 49 174 SER . 6269 1 50 175 SER . 6269 1 51 176 PRO . 6269 1 52 177 VAL . 6269 1 53 178 PRO . 6269 1 54 179 GLN . 6269 1 55 180 ASP . 6269 1 56 181 VAL . 6269 1 57 182 PHE . 6269 1 58 183 VAL . 6269 1 59 184 ALA . 6269 1 60 185 ASP . 6269 1 61 186 CYS . 6269 1 62 187 PHE . 6269 1 63 188 ASN . 6269 1 64 189 ILE . 6269 1 65 190 THR . 6269 1 66 191 VAL . 6269 1 67 192 THR . 6269 1 68 193 GLU . 6269 1 69 194 TYR . 6269 1 70 195 SER . 6269 1 71 196 ILE . 6269 1 72 197 GLY . 6269 1 73 198 PRO . 6269 1 74 199 ALA . 6269 1 75 200 ALA . 6269 1 76 201 LYS . 6269 1 77 202 LYS . 6269 1 78 203 ASN . 6269 1 79 204 THR . 6269 1 80 205 SER . 6269 1 81 206 GLU . 6269 1 82 207 ALA . 6269 1 83 208 VAL . 6269 1 84 209 ALA . 6269 1 85 210 ALA . 6269 1 86 211 ALA . 6269 1 87 212 ASN . 6269 1 88 213 GLN . 6269 1 89 214 THR . 6269 1 90 215 GLU . 6269 1 91 216 VAL . 6269 1 92 217 GLU . 6269 1 93 218 MET . 6269 1 94 219 GLU . 6269 1 95 220 ASN . 6269 1 96 221 LYS . 6269 1 97 222 VAL . 6269 1 98 223 VAL . 6269 1 99 224 THR . 6269 1 100 225 LYS . 6269 1 101 226 VAL . 6269 1 102 227 ILE . 6269 1 103 228 ARG . 6269 1 104 229 GLU . 6269 1 105 230 MET . 6269 1 106 231 CYS . 6269 1 107 232 VAL . 6269 1 108 233 GLN . 6269 1 109 234 GLN . 6269 1 110 235 TYR . 6269 1 111 236 ARG . 6269 1 112 237 GLU . 6269 1 113 238 TYR . 6269 1 114 239 ARG . 6269 1 115 240 LEU . 6269 1 116 241 ALA . 6269 1 117 242 SER . 6269 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 6269 1 . SER 2 2 6269 1 . VAL 3 3 6269 1 . VAL 4 4 6269 1 . GLY 5 5 6269 1 . GLY 6 6 6269 1 . LEU 7 7 6269 1 . GLY 8 8 6269 1 . GLY 9 9 6269 1 . TYR 10 10 6269 1 . ALA 11 11 6269 1 . MET 12 12 6269 1 . GLY 13 13 6269 1 . ARG 14 14 6269 1 . VAL 15 15 6269 1 . MET 16 16 6269 1 . SER 17 17 6269 1 . GLY 18 18 6269 1 . MET 19 19 6269 1 . ASN 20 20 6269 1 . TYR 21 21 6269 1 . HIS 22 22 6269 1 . PHE 23 23 6269 1 . ASP 24 24 6269 1 . ARG 25 25 6269 1 . PRO 26 26 6269 1 . ASP 27 27 6269 1 . GLU 28 28 6269 1 . TYR 29 29 6269 1 . ARG 30 30 6269 1 . TRP 31 31 6269 1 . TRP 32 32 6269 1 . SER 33 33 6269 1 . GLU 34 34 6269 1 . ASN 35 35 6269 1 . SER 36 36 6269 1 . ALA 37 37 6269 1 . ARG 38 38 6269 1 . TYR 39 39 6269 1 . PRO 40 40 6269 1 . ASN 41 41 6269 1 . ARG 42 42 6269 1 . VAL 43 43 6269 1 . TYR 44 44 6269 1 . TYR 45 45 6269 1 . ARG 46 46 6269 1 . ASP 47 47 6269 1 . TYR 48 48 6269 1 . SER 49 49 6269 1 . SER 50 50 6269 1 . PRO 51 51 6269 1 . VAL 52 52 6269 1 . PRO 53 53 6269 1 . GLN 54 54 6269 1 . ASP 55 55 6269 1 . VAL 56 56 6269 1 . PHE 57 57 6269 1 . VAL 58 58 6269 1 . ALA 59 59 6269 1 . ASP 60 60 6269 1 . CYS 61 61 6269 1 . PHE 62 62 6269 1 . ASN 63 63 6269 1 . ILE 64 64 6269 1 . THR 65 65 6269 1 . VAL 66 66 6269 1 . THR 67 67 6269 1 . GLU 68 68 6269 1 . TYR 69 69 6269 1 . SER 70 70 6269 1 . ILE 71 71 6269 1 . GLY 72 72 6269 1 . PRO 73 73 6269 1 . ALA 74 74 6269 1 . ALA 75 75 6269 1 . LYS 76 76 6269 1 . LYS 77 77 6269 1 . ASN 78 78 6269 1 . THR 79 79 6269 1 . SER 80 80 6269 1 . GLU 81 81 6269 1 . ALA 82 82 6269 1 . VAL 83 83 6269 1 . ALA 84 84 6269 1 . ALA 85 85 6269 1 . ALA 86 86 6269 1 . ASN 87 87 6269 1 . GLN 88 88 6269 1 . THR 89 89 6269 1 . GLU 90 90 6269 1 . VAL 91 91 6269 1 . GLU 92 92 6269 1 . MET 93 93 6269 1 . GLU 94 94 6269 1 . ASN 95 95 6269 1 . LYS 96 96 6269 1 . VAL 97 97 6269 1 . VAL 98 98 6269 1 . THR 99 99 6269 1 . LYS 100 100 6269 1 . VAL 101 101 6269 1 . ILE 102 102 6269 1 . ARG 103 103 6269 1 . GLU 104 104 6269 1 . MET 105 105 6269 1 . CYS 106 106 6269 1 . VAL 107 107 6269 1 . GLN 108 108 6269 1 . GLN 109 109 6269 1 . TYR 110 110 6269 1 . ARG 111 111 6269 1 . GLU 112 112 6269 1 . TYR 113 113 6269 1 . ARG 114 114 6269 1 . LEU 115 115 6269 1 . ALA 116 116 6269 1 . SER 117 117 6269 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 6269 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $chPrP . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 6269 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 6269 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $chPrP . 'recombinant technology' . . . . . . . . . . . . . . . . 6269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6269 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'chicken prion protein' '[U-13C; U-15N]' . . 1 $chPrP . . 1.0 . . mM . . . . 6269 1 2 'sodium acetate' . . . . . . . 1.0 . . mM . . . . 6269 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6269 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 0.02 mM 6269 1 pH 4.3 0.1 n/a 6269 1 temperature 293 1 K 6269 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6269 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6269 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6269 _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 NMR_spectrometer_1 Bruker DRX . 750 . . . 6269 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 6269 1 3 NMR_spectrometer_3 Bruker DRX . 500 . . . 6269 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 6269 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6269 1 2 '1H-13N NOESY aliphatic, aromatic' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6269 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6269 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6269 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6269 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6269 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6269 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6269 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-15N NOESY' 1 $sample_1 . 6269 1 2 '1H-13N NOESY aliphatic, aromatic' 1 $sample_1 . 6269 1 3 HNCA 1 $sample_1 . 6269 1 4 HNCACB 1 $sample_1 . 6269 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 42.6 0.05 . 1 . . . . . . . . . 6269 1 2 . 1 1 1 1 GLY HA2 H 1 3.87 0.005 . 1 . . . . . . . . . 6269 1 3 . 1 1 1 1 GLY HA3 H 1 3.87 0.005 . 1 . . . . . . . . . 6269 1 4 . 1 1 2 2 SER N N 15 117.7 0.05 . 1 . . . . . . . . . 6269 1 5 . 1 1 2 2 SER H H 1 8.65 0.005 . 1 . . . . . . . . . 6269 1 6 . 1 1 2 2 SER CA C 13 57.8 0.05 . 1 . . . . . . . . . 6269 1 7 . 1 1 2 2 SER HA H 1 4.54 0.005 . 1 . . . . . . . . . 6269 1 8 . 1 1 2 2 SER CB C 13 63.6 0.05 . 1 . . . . . . . . . 6269 1 9 . 1 1 2 2 SER HB2 H 1 3.80 0.005 . 1 . . . . . . . . . 6269 1 10 . 1 1 2 2 SER HB3 H 1 3.80 0.005 . 1 . . . . . . . . . 6269 1 11 . 1 1 3 3 VAL N N 15 124.0 0.05 . 1 . . . . . . . . . 6269 1 12 . 1 1 3 3 VAL H H 1 8.34 0.005 . 1 . . . . . . . . . 6269 1 13 . 1 1 3 3 VAL CA C 13 61.7 0.05 . 1 . . . . . . . . . 6269 1 14 . 1 1 3 3 VAL HA H 1 4.15 0.005 . 1 . . . . . . . . . 6269 1 15 . 1 1 3 3 VAL CB C 13 32.5 0.05 . 1 . . . . . . . . . 6269 1 16 . 1 1 3 3 VAL HB H 1 2.02 0.005 . 1 . . . . . . . . . 6269 1 17 . 1 1 3 3 VAL HG11 H 1 0.90 0.005 . 2 . . . . . . . . . 6269 1 18 . 1 1 3 3 VAL HG12 H 1 0.90 0.005 . 2 . . . . . . . . . 6269 1 19 . 1 1 3 3 VAL HG13 H 1 0.90 0.005 . 2 . . . . . . . . . 6269 1 20 . 1 1 3 3 VAL HG21 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 21 . 1 1 3 3 VAL HG22 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 22 . 1 1 3 3 VAL HG23 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 23 . 1 1 3 3 VAL CG1 C 13 20.3 0.05 . 1 . . . . . . . . . 6269 1 24 . 1 1 3 3 VAL CG2 C 13 20.2 0.05 . 1 . . . . . . . . . 6269 1 25 . 1 1 4 4 VAL N N 15 126.6 0.05 . 1 . . . . . . . . . 6269 1 26 . 1 1 4 4 VAL H H 1 8.30 0.005 . 1 . . . . . . . . . 6269 1 27 . 1 1 4 4 VAL CA C 13 62.0 0.05 . 1 . . . . . . . . . 6269 1 28 . 1 1 4 4 VAL HA H 1 4.06 0.005 . 1 . . . . . . . . . 6269 1 29 . 1 1 4 4 VAL CB C 13 32.2 0.05 . 1 . . . . . . . . . 6269 1 30 . 1 1 4 4 VAL HB H 1 1.99 0.005 . 1 . . . . . . . . . 6269 1 31 . 1 1 4 4 VAL HG11 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 32 . 1 1 4 4 VAL HG12 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 33 . 1 1 4 4 VAL HG13 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 34 . 1 1 4 4 VAL HG21 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 35 . 1 1 4 4 VAL HG22 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 36 . 1 1 4 4 VAL HG23 H 1 0.87 0.005 . 2 . . . . . . . . . 6269 1 37 . 1 1 4 4 VAL CG1 C 13 20.5 0.05 . 1 . . . . . . . . . 6269 1 38 . 1 1 5 5 GLY N N 15 114.9 0.05 . 1 . . . . . . . . . 6269 1 39 . 1 1 5 5 GLY H H 1 8.51 0.005 . 1 . . . . . . . . . 6269 1 40 . 1 1 5 5 GLY CA C 13 44.5 0.05 . 1 . . . . . . . . . 6269 1 41 . 1 1 5 5 GLY HA2 H 1 3.94 0.005 . 2 . . . . . . . . . 6269 1 42 . 1 1 5 5 GLY HA3 H 1 3.91 0.005 . 2 . . . . . . . . . 6269 1 43 . 1 1 6 6 GLY N N 15 110.2 0.05 . 1 . . . . . . . . . 6269 1 44 . 1 1 6 6 GLY H H 1 8.23 0.005 . 1 . . . . . . . . . 6269 1 45 . 1 1 6 6 GLY CA C 13 44.5 0.05 . 1 . . . . . . . . . 6269 1 46 . 1 1 6 6 GLY HA2 H 1 3.91 0.005 . 1 . . . . . . . . . 6269 1 47 . 1 1 6 6 GLY HA3 H 1 3.91 0.005 . 1 . . . . . . . . . 6269 1 48 . 1 1 7 7 LEU N N 15 123.3 0.05 . 1 . . . . . . . . . 6269 1 49 . 1 1 7 7 LEU H H 1 8.26 0.005 . 1 . . . . . . . . . 6269 1 50 . 1 1 7 7 LEU CA C 13 54.8 0.05 . 1 . . . . . . . . . 6269 1 51 . 1 1 7 7 LEU HA H 1 4.30 0.005 . 1 . . . . . . . . . 6269 1 52 . 1 1 7 7 LEU CB C 13 41.9 0.05 . 1 . . . . . . . . . 6269 1 53 . 1 1 7 7 LEU HB2 H 1 1.55 0.005 . 1 . . . . . . . . . 6269 1 54 . 1 1 7 7 LEU HB3 H 1 1.55 0.005 . 1 . . . . . . . . . 6269 1 55 . 1 1 7 7 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . . 6269 1 56 . 1 1 7 7 LEU HG H 1 1.54 0.005 . 1 . . . . . . . . . 6269 1 57 . 1 1 7 7 LEU HD11 H 1 0.79 0.005 . 2 . . . . . . . . . 6269 1 58 . 1 1 7 7 LEU HD12 H 1 0.79 0.005 . 2 . . . . . . . . . 6269 1 59 . 1 1 7 7 LEU HD13 H 1 0.79 0.005 . 2 . . . . . . . . . 6269 1 60 . 1 1 7 7 LEU HD21 H 1 0.71 0.005 . 2 . . . . . . . . . 6269 1 61 . 1 1 7 7 LEU HD22 H 1 0.71 0.005 . 2 . . . . . . . . . 6269 1 62 . 1 1 7 7 LEU HD23 H 1 0.71 0.005 . 2 . . . . . . . . . 6269 1 63 . 1 1 7 7 LEU CD1 C 13 24.6 0.05 . 1 . . . . . . . . . 6269 1 64 . 1 1 7 7 LEU CD2 C 13 23.2 0.05 . 1 . . . . . . . . . 6269 1 65 . 1 1 8 8 GLY N N 15 111.3 0.05 . 1 . . . . . . . . . 6269 1 66 . 1 1 8 8 GLY H H 1 8.44 0.005 . 1 . . . . . . . . . 6269 1 67 . 1 1 8 8 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . . 6269 1 68 . 1 1 8 8 GLY HA2 H 1 3.83 0.005 . 2 . . . . . . . . . 6269 1 69 . 1 1 8 8 GLY HA3 H 1 3.80 0.005 . 2 . . . . . . . . . 6269 1 70 . 1 1 9 9 GLY N N 15 110.3 0.05 . 1 . . . . . . . . . 6269 1 71 . 1 1 9 9 GLY H H 1 8.13 0.005 . 1 . . . . . . . . . 6269 1 72 . 1 1 9 9 GLY CA C 13 44.5 0.05 . 1 . . . . . . . . . 6269 1 73 . 1 1 9 9 GLY HA2 H 1 3.78 0.005 . 2 . . . . . . . . . 6269 1 74 . 1 1 9 9 GLY HA3 H 1 3.73 0.005 . 2 . . . . . . . . . 6269 1 75 . 1 1 10 10 TYR N N 15 120.3 0.05 . 1 . . . . . . . . . 6269 1 76 . 1 1 10 10 TYR H H 1 7.73 0.005 . 1 . . . . . . . . . 6269 1 77 . 1 1 10 10 TYR CA C 13 55.7 0.05 . 1 . . . . . . . . . 6269 1 78 . 1 1 10 10 TYR HA H 1 4.82 0.005 . 1 . . . . . . . . . 6269 1 79 . 1 1 10 10 TYR CB C 13 39.9 0.05 . 1 . . . . . . . . . 6269 1 80 . 1 1 10 10 TYR HB2 H 1 2.89 0.005 . 2 . . . . . . . . . 6269 1 81 . 1 1 10 10 TYR HB3 H 1 2.70 0.005 . 2 . . . . . . . . . 6269 1 82 . 1 1 10 10 TYR HD1 H 1 6.74 0.005 . 1 . . . . . . . . . 6269 1 83 . 1 1 10 10 TYR HD2 H 1 6.74 0.005 . 1 . . . . . . . . . 6269 1 84 . 1 1 10 10 TYR HE1 H 1 6.54 0.005 . 1 . . . . . . . . . 6269 1 85 . 1 1 10 10 TYR HE2 H 1 6.54 0.005 . 1 . . . . . . . . . 6269 1 86 . 1 1 10 10 TYR CD1 C 13 132.4 0.05 . 1 . . . . . . . . . 6269 1 87 . 1 1 10 10 TYR CE1 C 13 117.7 0.05 . 1 . . . . . . . . . 6269 1 88 . 1 1 11 11 ALA N N 15 126.7 0.05 . 1 . . . . . . . . . 6269 1 89 . 1 1 11 11 ALA H H 1 8.70 0.005 . 1 . . . . . . . . . 6269 1 90 . 1 1 11 11 ALA CA C 13 50.1 0.05 . 1 . . . . . . . . . 6269 1 91 . 1 1 11 11 ALA HA H 1 4.39 0.005 . 1 . . . . . . . . . 6269 1 92 . 1 1 11 11 ALA HB1 H 1 0.62 0.005 . 1 . . . . . . . . . 6269 1 93 . 1 1 11 11 ALA HB2 H 1 0.62 0.005 . 1 . . . . . . . . . 6269 1 94 . 1 1 11 11 ALA HB3 H 1 0.62 0.005 . 1 . . . . . . . . . 6269 1 95 . 1 1 11 11 ALA CB C 13 20.3 0.05 . 1 . . . . . . . . . 6269 1 96 . 1 1 12 12 MET N N 15 119.6 0.05 . 1 . . . . . . . . . 6269 1 97 . 1 1 12 12 MET H H 1 8.16 0.005 . 1 . . . . . . . . . 6269 1 98 . 1 1 12 12 MET CA C 13 54.3 0.05 . 1 . . . . . . . . . 6269 1 99 . 1 1 12 12 MET HA H 1 4.46 0.005 . 1 . . . . . . . . . 6269 1 100 . 1 1 12 12 MET CB C 13 35.0 0.05 . 1 . . . . . . . . . 6269 1 101 . 1 1 12 12 MET HB2 H 1 1.82 0.005 . 2 . . . . . . . . . 6269 1 102 . 1 1 12 12 MET HB3 H 1 1.66 0.005 . 2 . . . . . . . . . 6269 1 103 . 1 1 12 12 MET CG C 13 31.2 0.05 . 1 . . . . . . . . . 6269 1 104 . 1 1 12 12 MET HG2 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 105 . 1 1 12 12 MET HG3 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 106 . 1 1 13 13 GLY N N 15 115.6 0.05 . 1 . . . . . . . . . 6269 1 107 . 1 1 13 13 GLY H H 1 9.19 0.005 . 1 . . . . . . . . . 6269 1 108 . 1 1 13 13 GLY CA C 13 43.8 0.05 . 1 . . . . . . . . . 6269 1 109 . 1 1 13 13 GLY HA2 H 1 4.43 0.005 . 2 . . . . . . . . . 6269 1 110 . 1 1 13 13 GLY HA3 H 1 4.22 0.005 . 2 . . . . . . . . . 6269 1 111 . 1 1 14 14 ARG N N 15 119.3 0.05 . 1 . . . . . . . . . 6269 1 112 . 1 1 14 14 ARG H H 1 8.12 0.005 . 1 . . . . . . . . . 6269 1 113 . 1 1 14 14 ARG CA C 13 54.8 0.05 . 1 . . . . . . . . . 6269 1 114 . 1 1 14 14 ARG HA H 1 4.39 0.005 . 1 . . . . . . . . . 6269 1 115 . 1 1 14 14 ARG CB C 13 30.8 0.05 . 1 . . . . . . . . . 6269 1 116 . 1 1 14 14 ARG HB2 H 1 1.91 0.005 . 1 . . . . . . . . . 6269 1 117 . 1 1 14 14 ARG HB3 H 1 1.91 0.005 . 1 . . . . . . . . . 6269 1 118 . 1 1 14 14 ARG CG C 13 26.6 0.05 . 1 . . . . . . . . . 6269 1 119 . 1 1 14 14 ARG HG2 H 1 1.71 0.005 . 2 . . . . . . . . . 6269 1 120 . 1 1 14 14 ARG HG3 H 1 1.54 0.005 . 2 . . . . . . . . . 6269 1 121 . 1 1 14 14 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . . 6269 1 122 . 1 1 14 14 ARG HD2 H 1 3.17 0.005 . 1 . . . . . . . . . 6269 1 123 . 1 1 14 14 ARG HD3 H 1 3.17 0.005 . 1 . . . . . . . . . 6269 1 124 . 1 1 14 14 ARG NE N 15 88.3 0.05 . 1 . . . . . . . . . 6269 1 125 . 1 1 14 14 ARG HE H 1 8.51 0.005 . 1 . . . . . . . . . 6269 1 126 . 1 1 14 14 ARG HH11 H 1 6.87 0.005 . 1 . . . . . . . . . 6269 1 127 . 1 1 14 14 ARG HH12 H 1 6.87 0.005 . 1 . . . . . . . . . 6269 1 128 . 1 1 15 15 VAL N N 15 122.1 0.05 . 1 . . . . . . . . . 6269 1 129 . 1 1 15 15 VAL H H 1 8.42 0.005 . 1 . . . . . . . . . 6269 1 130 . 1 1 15 15 VAL CA C 13 64.2 0.05 . 1 . . . . . . . . . 6269 1 131 . 1 1 15 15 VAL HA H 1 3.91 0.005 . 1 . . . . . . . . . 6269 1 132 . 1 1 15 15 VAL CB C 13 31.8 0.05 . 1 . . . . . . . . . 6269 1 133 . 1 1 15 15 VAL HB H 1 1.94 0.005 . 1 . . . . . . . . . 6269 1 134 . 1 1 15 15 VAL HG11 H 1 0.99 0.005 . 2 . . . . . . . . . 6269 1 135 . 1 1 15 15 VAL HG12 H 1 0.99 0.005 . 2 . . . . . . . . . 6269 1 136 . 1 1 15 15 VAL HG13 H 1 0.99 0.005 . 2 . . . . . . . . . 6269 1 137 . 1 1 15 15 VAL HG21 H 1 0.95 0.005 . 2 . . . . . . . . . 6269 1 138 . 1 1 15 15 VAL HG22 H 1 0.95 0.005 . 2 . . . . . . . . . 6269 1 139 . 1 1 15 15 VAL HG23 H 1 0.95 0.005 . 2 . . . . . . . . . 6269 1 140 . 1 1 15 15 VAL CG1 C 13 21.8 0.05 . 1 . . . . . . . . . 6269 1 141 . 1 1 15 15 VAL CG2 C 13 21.0 0.05 . 1 . . . . . . . . . 6269 1 142 . 1 1 16 16 MET N N 15 132.5 0.05 . 1 . . . . . . . . . 6269 1 143 . 1 1 16 16 MET H H 1 9.14 0.005 . 1 . . . . . . . . . 6269 1 144 . 1 1 16 16 MET CA C 13 54.1 0.05 . 1 . . . . . . . . . 6269 1 145 . 1 1 16 16 MET HA H 1 4.72 0.005 . 1 . . . . . . . . . 6269 1 146 . 1 1 16 16 MET CB C 13 31.7 0.05 . 1 . . . . . . . . . 6269 1 147 . 1 1 16 16 MET HB2 H 1 2.07 0.005 . 2 . . . . . . . . . 6269 1 148 . 1 1 16 16 MET HB3 H 1 2.06 0.005 . 2 . . . . . . . . . 6269 1 149 . 1 1 16 16 MET CG C 13 33.0 0.05 . 1 . . . . . . . . . 6269 1 150 . 1 1 16 16 MET HG2 H 1 2.77 0.005 . 2 . . . . . . . . . 6269 1 151 . 1 1 16 16 MET HG3 H 1 2.69 0.005 . 2 . . . . . . . . . 6269 1 152 . 1 1 16 16 MET HE1 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 153 . 1 1 16 16 MET HE2 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 154 . 1 1 16 16 MET HE3 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 155 . 1 1 16 16 MET CE C 13 18.1 0.05 . 1 . . . . . . . . . 6269 1 156 . 1 1 17 17 SER N N 15 118.4 0.05 . 1 . . . . . . . . . 6269 1 157 . 1 1 17 17 SER H H 1 7.90 0.005 . 1 . . . . . . . . . 6269 1 158 . 1 1 17 17 SER CA C 13 58.2 0.05 . 1 . . . . . . . . . 6269 1 159 . 1 1 17 17 SER HA H 1 4.57 0.005 . 1 . . . . . . . . . 6269 1 160 . 1 1 17 17 SER CB C 13 63.6 0.05 . 1 . . . . . . . . . 6269 1 161 . 1 1 17 17 SER HB2 H 1 3.82 0.005 . 1 . . . . . . . . . 6269 1 162 . 1 1 17 17 SER HB3 H 1 3.82 0.005 . 1 . . . . . . . . . 6269 1 163 . 1 1 18 18 GLY N N 15 113.0 0.05 . 1 . . . . . . . . . 6269 1 164 . 1 1 18 18 GLY H H 1 8.87 0.005 . 1 . . . . . . . . . 6269 1 165 . 1 1 18 18 GLY CA C 13 45.7 0.05 . 1 . . . . . . . . . 6269 1 166 . 1 1 18 18 GLY HA2 H 1 3.93 0.005 . 1 . . . . . . . . . 6269 1 167 . 1 1 18 18 GLY HA3 H 1 3.93 0.005 . 1 . . . . . . . . . 6269 1 168 . 1 1 19 19 MET N N 15 120.0 0.05 . 1 . . . . . . . . . 6269 1 169 . 1 1 19 19 MET H H 1 7.63 0.005 . 1 . . . . . . . . . 6269 1 170 . 1 1 19 19 MET CA C 13 54.8 0.05 . 1 . . . . . . . . . 6269 1 171 . 1 1 19 19 MET HA H 1 4.12 0.005 . 1 . . . . . . . . . 6269 1 172 . 1 1 19 19 MET CB C 13 32.6 0.05 . 1 . . . . . . . . . 6269 1 173 . 1 1 19 19 MET HB2 H 1 1.68 0.005 . 2 . . . . . . . . . 6269 1 174 . 1 1 19 19 MET HB3 H 1 1.35 0.005 . 2 . . . . . . . . . 6269 1 175 . 1 1 19 19 MET CG C 13 31.8 0.05 . 1 . . . . . . . . . 6269 1 176 . 1 1 19 19 MET HG2 H 1 2.22 0.005 . 2 . . . . . . . . . 6269 1 177 . 1 1 19 19 MET HG3 H 1 2.15 0.005 . 2 . . . . . . . . . 6269 1 178 . 1 1 19 19 MET HE1 H 1 1.88 0.005 . 1 . . . . . . . . . 6269 1 179 . 1 1 19 19 MET HE2 H 1 1.88 0.005 . 1 . . . . . . . . . 6269 1 180 . 1 1 19 19 MET HE3 H 1 1.88 0.005 . 1 . . . . . . . . . 6269 1 181 . 1 1 19 19 MET CE C 13 16.6 0.05 . 1 . . . . . . . . . 6269 1 182 . 1 1 20 20 ASN N N 15 122.1 0.05 . 1 . . . . . . . . . 6269 1 183 . 1 1 20 20 ASN H H 1 8.28 0.005 . 1 . . . . . . . . . 6269 1 184 . 1 1 20 20 ASN CA C 13 51.3 0.05 . 1 . . . . . . . . . 6269 1 185 . 1 1 20 20 ASN HA H 1 4.68 0.005 . 1 . . . . . . . . . 6269 1 186 . 1 1 20 20 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 187 . 1 1 20 20 ASN HB2 H 1 2.65 0.005 . 2 . . . . . . . . . 6269 1 188 . 1 1 20 20 ASN HB3 H 1 2.53 0.005 . 2 . . . . . . . . . 6269 1 189 . 1 1 20 20 ASN ND2 N 15 114.2 0.05 . 1 . . . . . . . . . 6269 1 190 . 1 1 20 20 ASN HD21 H 1 7.50 0.005 . 2 . . . . . . . . . 6269 1 191 . 1 1 20 20 ASN HD22 H 1 6.84 0.005 . 2 . . . . . . . . . 6269 1 192 . 1 1 21 21 TYR N N 15 123.4 0.05 . 1 . . . . . . . . . 6269 1 193 . 1 1 21 21 TYR H H 1 7.86 0.005 . 1 . . . . . . . . . 6269 1 194 . 1 1 21 21 TYR CA C 13 58.0 0.05 . 1 . . . . . . . . . 6269 1 195 . 1 1 21 21 TYR HA H 1 4.37 0.005 . 1 . . . . . . . . . 6269 1 196 . 1 1 21 21 TYR HB2 H 1 3.77 0.005 . 1 . . . . . . . . . 6269 1 197 . 1 1 21 21 TYR HB3 H 1 3.77 0.005 . 1 . . . . . . . . . 6269 1 198 . 1 1 21 21 TYR HD1 H 1 7.08 0.005 . 1 . . . . . . . . . 6269 1 199 . 1 1 21 21 TYR HD2 H 1 7.08 0.005 . 1 . . . . . . . . . 6269 1 200 . 1 1 21 21 TYR HE1 H 1 6.81 0.005 . 1 . . . . . . . . . 6269 1 201 . 1 1 21 21 TYR HE2 H 1 6.81 0.005 . 1 . . . . . . . . . 6269 1 202 . 1 1 21 21 TYR CD1 C 13 133.2 0.05 . 1 . . . . . . . . . 6269 1 203 . 1 1 21 21 TYR CE1 C 13 118.5 0.05 . 1 . . . . . . . . . 6269 1 204 . 1 1 22 22 HIS N N 15 123.0 0.05 . 1 . . . . . . . . . 6269 1 205 . 1 1 22 22 HIS H H 1 7.56 0.005 . 1 . . . . . . . . . 6269 1 206 . 1 1 22 22 HIS CA C 13 54.5 0.05 . 1 . . . . . . . . . 6269 1 207 . 1 1 22 22 HIS HA H 1 4.49 0.005 . 1 . . . . . . . . . 6269 1 208 . 1 1 22 22 HIS CB C 13 27.5 0.05 . 1 . . . . . . . . . 6269 1 209 . 1 1 22 22 HIS HB2 H 1 3.06 0.005 . 1 . . . . . . . . . 6269 1 210 . 1 1 22 22 HIS HB3 H 1 3.06 0.005 . 1 . . . . . . . . . 6269 1 211 . 1 1 22 22 HIS CE1 C 13 136.0 0.05 . 1 . . . . . . . . . 6269 1 212 . 1 1 22 22 HIS HE1 H 1 8.54 0.005 . 1 . . . . . . . . . 6269 1 213 . 1 1 23 23 PHE N N 15 117.3 0.05 . 1 . . . . . . . . . 6269 1 214 . 1 1 23 23 PHE H H 1 7.32 0.005 . 1 . . . . . . . . . 6269 1 215 . 1 1 23 23 PHE CA C 13 57.5 0.05 . 1 . . . . . . . . . 6269 1 216 . 1 1 23 23 PHE HA H 1 4.15 0.005 . 1 . . . . . . . . . 6269 1 217 . 1 1 23 23 PHE CB C 13 38.9 0.05 . 1 . . . . . . . . . 6269 1 218 . 1 1 23 23 PHE HB2 H 1 2.02 0.005 . 2 . . . . . . . . . 6269 1 219 . 1 1 23 23 PHE HB3 H 1 1.80 0.005 . 2 . . . . . . . . . 6269 1 220 . 1 1 23 23 PHE HD1 H 1 7.03 0.005 . 1 . . . . . . . . . 6269 1 221 . 1 1 23 23 PHE HD2 H 1 7.03 0.005 . 1 . . . . . . . . . 6269 1 222 . 1 1 23 23 PHE HE1 H 1 6.87 0.005 . 1 . . . . . . . . . 6269 1 223 . 1 1 23 23 PHE HE2 H 1 6.87 0.005 . 1 . . . . . . . . . 6269 1 224 . 1 1 23 23 PHE CE1 C 13 132.4 0.05 . 1 . . . . . . . . . 6269 1 225 . 1 1 23 23 PHE CZ C 13 128.3 0.05 . 1 . . . . . . . . . 6269 1 226 . 1 1 23 23 PHE HZ H 1 6.81 0.005 . 1 . . . . . . . . . 6269 1 227 . 1 1 24 24 ASP N N 15 121.1 0.05 . 1 . . . . . . . . . 6269 1 228 . 1 1 24 24 ASP H H 1 8.73 0.005 . 1 . . . . . . . . . 6269 1 229 . 1 1 24 24 ASP CA C 13 55.2 0.05 . 1 . . . . . . . . . 6269 1 230 . 1 1 24 24 ASP HA H 1 4.61 0.005 . 1 . . . . . . . . . 6269 1 231 . 1 1 24 24 ASP CB C 13 41.2 0.05 . 1 . . . . . . . . . 6269 1 232 . 1 1 24 24 ASP HB2 H 1 2.79 0.005 . 1 . . . . . . . . . 6269 1 233 . 1 1 24 24 ASP HB3 H 1 2.79 0.005 . 1 . . . . . . . . . 6269 1 234 . 1 1 25 25 ARG N N 15 118.1 0.05 . 1 . . . . . . . . . 6269 1 235 . 1 1 25 25 ARG H H 1 7.63 0.005 . 1 . . . . . . . . . 6269 1 236 . 1 1 25 25 ARG CA C 13 52.4 0.05 . 1 . . . . . . . . . 6269 1 237 . 1 1 25 25 ARG HA H 1 5.07 0.005 . 1 . . . . . . . . . 6269 1 238 . 1 1 25 25 ARG CB C 13 33.3 0.05 . 1 . . . . . . . . . 6269 1 239 . 1 1 25 25 ARG HB2 H 1 2.16 0.005 . 2 . . . . . . . . . 6269 1 240 . 1 1 25 25 ARG HB3 H 1 1.64 0.005 . 2 . . . . . . . . . 6269 1 241 . 1 1 25 25 ARG CG C 13 26.6 0.05 . 1 . . . . . . . . . 6269 1 242 . 1 1 25 25 ARG HG2 H 1 1.66 0.005 . 2 . . . . . . . . . 6269 1 243 . 1 1 25 25 ARG HG3 H 1 1.62 0.005 . 2 . . . . . . . . . 6269 1 244 . 1 1 25 25 ARG CD C 13 42.9 0.05 . 1 . . . . . . . . . 6269 1 245 . 1 1 25 25 ARG HD2 H 1 3.28 0.005 . 2 . . . . . . . . . 6269 1 246 . 1 1 25 25 ARG HD3 H 1 3.23 0.005 . 2 . . . . . . . . . 6269 1 247 . 1 1 25 25 ARG NE N 15 86.5 0.05 . 1 . . . . . . . . . 6269 1 248 . 1 1 25 25 ARG HE H 1 7.85 0.005 . 1 . . . . . . . . . 6269 1 249 . 1 1 25 25 ARG NH1 N 15 72.2 0.05 . 1 . . . . . . . . . 6269 1 250 . 1 1 25 25 ARG HH11 H 1 6.21 0.005 . 1 . . . . . . . . . 6269 1 251 . 1 1 25 25 ARG HH12 H 1 6.21 0.005 . 1 . . . . . . . . . 6269 1 252 . 1 1 25 25 ARG NH2 N 15 72.2 0.05 . 1 . . . . . . . . . 6269 1 253 . 1 1 25 25 ARG HH21 H 1 6.79 0.005 . 1 . . . . . . . . . 6269 1 254 . 1 1 25 25 ARG HH22 H 1 6.79 0.005 . 1 . . . . . . . . . 6269 1 255 . 1 1 26 26 PRO CD C 13 50.8 0.05 . 1 . . . . . . . . . 6269 1 256 . 1 1 26 26 PRO CA C 13 65.0 0.05 . 1 . . . . . . . . . 6269 1 257 . 1 1 26 26 PRO HA H 1 4.56 0.005 . 1 . . . . . . . . . 6269 1 258 . 1 1 26 26 PRO CB C 13 32.2 0.05 . 1 . . . . . . . . . 6269 1 259 . 1 1 26 26 PRO HB2 H 1 2.50 0.005 . 2 . . . . . . . . . 6269 1 260 . 1 1 26 26 PRO HB3 H 1 2.09 0.005 . 2 . . . . . . . . . 6269 1 261 . 1 1 26 26 PRO CG C 13 27.3 0.05 . 1 . . . . . . . . . 6269 1 262 . 1 1 26 26 PRO HG2 H 1 2.22 0.005 . 2 . . . . . . . . . 6269 1 263 . 1 1 26 26 PRO HG3 H 1 2.10 0.005 . 2 . . . . . . . . . 6269 1 264 . 1 1 26 26 PRO HD2 H 1 4.02 0.005 . 2 . . . . . . . . . 6269 1 265 . 1 1 26 26 PRO HD3 H 1 3.90 0.005 . 2 . . . . . . . . . 6269 1 266 . 1 1 27 27 ASP N N 15 117.6 0.05 . 1 . . . . . . . . . 6269 1 267 . 1 1 27 27 ASP H H 1 8.88 0.005 . 1 . . . . . . . . . 6269 1 268 . 1 1 27 27 ASP CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 269 . 1 1 27 27 ASP HA H 1 4.36 0.005 . 1 . . . . . . . . . 6269 1 270 . 1 1 27 27 ASP CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 271 . 1 1 27 27 ASP HB2 H 1 2.82 0.005 . 2 . . . . . . . . . 6269 1 272 . 1 1 27 27 ASP HB3 H 1 2.70 0.005 . 2 . . . . . . . . . 6269 1 273 . 1 1 28 28 GLU N N 15 123.9 0.05 . 1 . . . . . . . . . 6269 1 274 . 1 1 28 28 GLU H H 1 7.59 0.005 . 1 . . . . . . . . . 6269 1 275 . 1 1 28 28 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . . 6269 1 276 . 1 1 28 28 GLU HA H 1 3.97 0.005 . 1 . . . . . . . . . 6269 1 277 . 1 1 28 28 GLU HB2 H 1 1.66 0.005 . 2 . . . . . . . . . 6269 1 278 . 1 1 28 28 GLU HB3 H 1 1.50 0.005 . 2 . . . . . . . . . 6269 1 279 . 1 1 28 28 GLU HG2 H 1 2.06 0.005 . 1 . . . . . . . . . 6269 1 280 . 1 1 28 28 GLU HG3 H 1 2.06 0.005 . 1 . . . . . . . . . 6269 1 281 . 1 1 29 29 TYR N N 15 118.8 0.05 . 1 . . . . . . . . . 6269 1 282 . 1 1 29 29 TYR H H 1 7.14 0.005 . 1 . . . . . . . . . 6269 1 283 . 1 1 29 29 TYR CA C 13 62.0 0.05 . 1 . . . . . . . . . 6269 1 284 . 1 1 29 29 TYR HA H 1 4.06 0.005 . 1 . . . . . . . . . 6269 1 285 . 1 1 29 29 TYR CB C 13 38.0 0.05 . 1 . . . . . . . . . 6269 1 286 . 1 1 29 29 TYR HB2 H 1 3.29 0.005 . 1 . . . . . . . . . 6269 1 287 . 1 1 29 29 TYR HB3 H 1 3.29 0.005 . 1 . . . . . . . . . 6269 1 288 . 1 1 29 29 TYR HD1 H 1 7.45 0.005 . 1 . . . . . . . . . 6269 1 289 . 1 1 29 29 TYR HD2 H 1 7.45 0.005 . 1 . . . . . . . . . 6269 1 290 . 1 1 29 29 TYR HE1 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 291 . 1 1 29 29 TYR HE2 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 292 . 1 1 29 29 TYR CD1 C 13 133.6 0.05 . 1 . . . . . . . . . 6269 1 293 . 1 1 29 29 TYR CE1 C 13 119.0 0.05 . 1 . . . . . . . . . 6269 1 294 . 1 1 30 30 ARG N N 15 121.5 0.05 . 1 . . . . . . . . . 6269 1 295 . 1 1 30 30 ARG H H 1 8.19 0.005 . 1 . . . . . . . . . 6269 1 296 . 1 1 30 30 ARG CA C 13 58.9 0.05 . 1 . . . . . . . . . 6269 1 297 . 1 1 30 30 ARG HA H 1 4.02 0.005 . 1 . . . . . . . . . 6269 1 298 . 1 1 30 30 ARG CB C 13 29.4 0.05 . 1 . . . . . . . . . 6269 1 299 . 1 1 30 30 ARG HB2 H 1 1.99 0.005 . 2 . . . . . . . . . 6269 1 300 . 1 1 30 30 ARG HB3 H 1 1.95 0.005 . 2 . . . . . . . . . 6269 1 301 . 1 1 30 30 ARG CG C 13 27.0 0.05 . 1 . . . . . . . . . 6269 1 302 . 1 1 30 30 ARG HG2 H 1 1.78 0.005 . 2 . . . . . . . . . 6269 1 303 . 1 1 30 30 ARG HG3 H 1 1.63 0.005 . 2 . . . . . . . . . 6269 1 304 . 1 1 30 30 ARG CD C 13 42.9 0.05 . 1 . . . . . . . . . 6269 1 305 . 1 1 30 30 ARG HD2 H 1 3.24 0.005 . 1 . . . . . . . . . 6269 1 306 . 1 1 30 30 ARG HD3 H 1 3.24 0.005 . 1 . . . . . . . . . 6269 1 307 . 1 1 30 30 ARG NE N 15 86.3 0.05 . 1 . . . . . . . . . 6269 1 308 . 1 1 30 30 ARG HE H 1 7.46 0.005 . 1 . . . . . . . . . 6269 1 309 . 1 1 31 31 TRP N N 15 122.0 0.05 . 1 . . . . . . . . . 6269 1 310 . 1 1 31 31 TRP H H 1 8.21 0.005 . 1 . . . . . . . . . 6269 1 311 . 1 1 31 31 TRP CA C 13 62.4 0.05 . 1 . . . . . . . . . 6269 1 312 . 1 1 31 31 TRP HA H 1 4.02 0.005 . 1 . . . . . . . . . 6269 1 313 . 1 1 31 31 TRP CB C 13 29.1 0.05 . 1 . . . . . . . . . 6269 1 314 . 1 1 31 31 TRP HB2 H 1 3.38 0.005 . 1 . . . . . . . . . 6269 1 315 . 1 1 31 31 TRP HB3 H 1 3.38 0.005 . 1 . . . . . . . . . 6269 1 316 . 1 1 31 31 TRP CD1 C 13 127.1 0.05 . 1 . . . . . . . . . 6269 1 317 . 1 1 31 31 TRP CE3 C 13 119.0 0.05 . 1 . . . . . . . . . 6269 1 318 . 1 1 31 31 TRP NE1 N 15 130.0 0.05 . 1 . . . . . . . . . 6269 1 319 . 1 1 31 31 TRP HD1 H 1 7.30 0.005 . 1 . . . . . . . . . 6269 1 320 . 1 1 31 31 TRP HE3 H 1 7.41 0.005 . 1 . . . . . . . . . 6269 1 321 . 1 1 31 31 TRP CZ3 C 13 120.6 0.05 . 1 . . . . . . . . . 6269 1 322 . 1 1 31 31 TRP CZ2 C 13 114.5 0.05 . 1 . . . . . . . . . 6269 1 323 . 1 1 31 31 TRP HE1 H 1 10.07 0.005 . 1 . . . . . . . . . 6269 1 324 . 1 1 31 31 TRP HZ3 H 1 6.92 0.005 . 1 . . . . . . . . . 6269 1 325 . 1 1 31 31 TRP CH2 C 13 124.6 0.05 . 1 . . . . . . . . . 6269 1 326 . 1 1 31 31 TRP HZ2 H 1 7.47 0.005 . 1 . . . . . . . . . 6269 1 327 . 1 1 31 31 TRP HH2 H 1 7.17 0.005 . 1 . . . . . . . . . 6269 1 328 . 1 1 32 32 TRP N N 15 122.3 0.05 . 1 . . . . . . . . . 6269 1 329 . 1 1 32 32 TRP H H 1 8.85 0.005 . 1 . . . . . . . . . 6269 1 330 . 1 1 32 32 TRP CA C 13 58.7 0.05 . 1 . . . . . . . . . 6269 1 331 . 1 1 32 32 TRP HA H 1 4.67 0.005 . 1 . . . . . . . . . 6269 1 332 . 1 1 32 32 TRP CB C 13 28.9 0.05 . 1 . . . . . . . . . 6269 1 333 . 1 1 32 32 TRP HB2 H 1 3.19 0.005 . 1 . . . . . . . . . 6269 1 334 . 1 1 32 32 TRP HB3 H 1 3.19 0.005 . 1 . . . . . . . . . 6269 1 335 . 1 1 32 32 TRP CD1 C 13 129.5 0.05 . 1 . . . . . . . . . 6269 1 336 . 1 1 32 32 TRP CE3 C 13 120.6 0.05 . 1 . . . . . . . . . 6269 1 337 . 1 1 32 32 TRP NE1 N 15 139.2 0.05 . 1 . . . . . . . . . 6269 1 338 . 1 1 32 32 TRP HD1 H 1 5.94 0.005 . 1 . . . . . . . . . 6269 1 339 . 1 1 32 32 TRP HE3 H 1 7.41 0.005 . 1 . . . . . . . . . 6269 1 340 . 1 1 32 32 TRP CZ3 C 13 120.6 0.05 . 1 . . . . . . . . . 6269 1 341 . 1 1 32 32 TRP CZ2 C 13 115.7 0.05 . 1 . . . . . . . . . 6269 1 342 . 1 1 32 32 TRP HE1 H 1 10.49 0.005 . 1 . . . . . . . . . 6269 1 343 . 1 1 32 32 TRP HZ3 H 1 6.62 0.005 . 1 . . . . . . . . . 6269 1 344 . 1 1 32 32 TRP CH2 C 13 124.6 0.05 . 1 . . . . . . . . . 6269 1 345 . 1 1 32 32 TRP HZ2 H 1 7.56 0.005 . 1 . . . . . . . . . 6269 1 346 . 1 1 32 32 TRP HH2 H 1 7.12 0.005 . 1 . . . . . . . . . 6269 1 347 . 1 1 33 33 SER N N 15 114.9 0.05 . 1 . . . . . . . . . 6269 1 348 . 1 1 33 33 SER H H 1 8.33 0.005 . 1 . . . . . . . . . 6269 1 349 . 1 1 33 33 SER CA C 13 61.7 0.05 . 1 . . . . . . . . . 6269 1 350 . 1 1 33 33 SER HA H 1 3.92 0.005 . 1 . . . . . . . . . 6269 1 351 . 1 1 33 33 SER CB C 13 57.8 0.05 . 1 . . . . . . . . . 6269 1 352 . 1 1 33 33 SER HB2 H 1 3.81 0.005 . 1 . . . . . . . . . 6269 1 353 . 1 1 33 33 SER HB3 H 1 3.81 0.005 . 1 . . . . . . . . . 6269 1 354 . 1 1 34 34 GLU N N 15 118.9 0.05 . 1 . . . . . . . . . 6269 1 355 . 1 1 34 34 GLU H H 1 7.36 0.005 . 1 . . . . . . . . . 6269 1 356 . 1 1 34 34 GLU CA C 13 56.4 0.05 . 1 . . . . . . . . . 6269 1 357 . 1 1 34 34 GLU HA H 1 4.09 0.005 . 1 . . . . . . . . . 6269 1 358 . 1 1 34 34 GLU CB C 13 29.1 0.05 . 1 . . . . . . . . . 6269 1 359 . 1 1 34 34 GLU HB2 H 1 1.83 0.005 . 1 . . . . . . . . . 6269 1 360 . 1 1 34 34 GLU HB3 H 1 1.83 0.005 . 1 . . . . . . . . . 6269 1 361 . 1 1 34 34 GLU CG C 13 33.6 0.05 . 1 . . . . . . . . . 6269 1 362 . 1 1 34 34 GLU HG2 H 1 2.44 0.005 . 2 . . . . . . . . . 6269 1 363 . 1 1 34 34 GLU HG3 H 1 2.32 0.005 . 2 . . . . . . . . . 6269 1 364 . 1 1 35 35 ASN N N 15 117.3 0.05 . 1 . . . . . . . . . 6269 1 365 . 1 1 35 35 ASN H H 1 7.31 0.005 . 1 . . . . . . . . . 6269 1 366 . 1 1 35 35 ASN HB2 H 1 2.02 0.005 . 2 . . . . . . . . . 6269 1 367 . 1 1 35 35 ASN HB3 H 1 1.80 0.005 . 2 . . . . . . . . . 6269 1 368 . 1 1 35 35 ASN ND2 N 15 115.7 0.05 . 1 . . . . . . . . . 6269 1 369 . 1 1 35 35 ASN HD21 H 1 7.28 0.005 . 2 . . . . . . . . . 6269 1 370 . 1 1 35 35 ASN HD22 H 1 6.41 0.005 . 2 . . . . . . . . . 6269 1 371 . 1 1 36 36 SER N N 15 118.2 0.05 . 1 . . . . . . . . . 6269 1 372 . 1 1 36 36 SER H H 1 7.79 0.005 . 1 . . . . . . . . . 6269 1 373 . 1 1 37 37 ALA N N 15 124.1 0.05 . 1 . . . . . . . . . 6269 1 374 . 1 1 37 37 ALA H H 1 7.85 0.005 . 1 . . . . . . . . . 6269 1 375 . 1 1 37 37 ALA CA C 13 53.1 0.05 . 1 . . . . . . . . . 6269 1 376 . 1 1 37 37 ALA HA H 1 4.13 0.005 . 1 . . . . . . . . . 6269 1 377 . 1 1 37 37 ALA HB1 H 1 1.25 0.005 . 1 . . . . . . . . . 6269 1 378 . 1 1 37 37 ALA HB2 H 1 1.25 0.005 . 1 . . . . . . . . . 6269 1 379 . 1 1 37 37 ALA HB3 H 1 1.25 0.005 . 1 . . . . . . . . . 6269 1 380 . 1 1 37 37 ALA CB C 13 18.1 0.05 . 1 . . . . . . . . . 6269 1 381 . 1 1 38 38 ARG N N 15 116.6 0.05 . 1 . . . . . . . . . 6269 1 382 . 1 1 38 38 ARG H H 1 7.60 0.005 . 1 . . . . . . . . . 6269 1 383 . 1 1 38 38 ARG CA C 13 55.7 0.05 . 1 . . . . . . . . . 6269 1 384 . 1 1 38 38 ARG HA H 1 4.07 0.005 . 1 . . . . . . . . . 6269 1 385 . 1 1 38 38 ARG CB C 13 29.8 0.05 . 1 . . . . . . . . . 6269 1 386 . 1 1 38 38 ARG HB2 H 1 1.49 0.005 . 1 . . . . . . . . . 6269 1 387 . 1 1 38 38 ARG HB3 H 1 1.49 0.005 . 1 . . . . . . . . . 6269 1 388 . 1 1 38 38 ARG CG C 13 27.2 0.05 . 1 . . . . . . . . . 6269 1 389 . 1 1 38 38 ARG HG2 H 1 1.41 0.005 . 2 . . . . . . . . . 6269 1 390 . 1 1 38 38 ARG HG3 H 1 1.30 0.005 . 2 . . . . . . . . . 6269 1 391 . 1 1 38 38 ARG CD C 13 43.1 0.05 . 1 . . . . . . . . . 6269 1 392 . 1 1 38 38 ARG HD2 H 1 3.09 0.005 . 1 . . . . . . . . . 6269 1 393 . 1 1 38 38 ARG HD3 H 1 3.09 0.005 . 1 . . . . . . . . . 6269 1 394 . 1 1 38 38 ARG NE N 15 86.2 0.05 . 1 . . . . . . . . . 6269 1 395 . 1 1 38 38 ARG HE H 1 7.07 0.005 . 1 . . . . . . . . . 6269 1 396 . 1 1 39 39 TYR N N 15 120.8 0.05 . 1 . . . . . . . . . 6269 1 397 . 1 1 39 39 TYR H H 1 7.41 0.005 . 1 . . . . . . . . . 6269 1 398 . 1 1 39 39 TYR CA C 13 55.2 0.05 . 1 . . . . . . . . . 6269 1 399 . 1 1 39 39 TYR HA H 1 4.68 0.005 . 1 . . . . . . . . . 6269 1 400 . 1 1 39 39 TYR CB C 13 43.2 0.05 . 1 . . . . . . . . . 6269 1 401 . 1 1 39 39 TYR HB2 H 1 3.22 0.005 . 1 . . . . . . . . . 6269 1 402 . 1 1 39 39 TYR HB3 H 1 3.22 0.005 . 1 . . . . . . . . . 6269 1 403 . 1 1 40 40 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . . 6269 1 404 . 1 1 40 40 PRO CA C 13 62.7 0.05 . 1 . . . . . . . . . 6269 1 405 . 1 1 40 40 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . . 6269 1 406 . 1 1 40 40 PRO CB C 13 32.4 0.05 . 1 . . . . . . . . . 6269 1 407 . 1 1 40 40 PRO HB2 H 1 1.87 0.005 . 2 . . . . . . . . . 6269 1 408 . 1 1 40 40 PRO HB3 H 1 1.64 0.005 . 2 . . . . . . . . . 6269 1 409 . 1 1 40 40 PRO CG C 13 27.0 0.05 . 1 . . . . . . . . . 6269 1 410 . 1 1 40 40 PRO HG2 H 1 1.38 0.005 . 2 . . . . . . . . . 6269 1 411 . 1 1 40 40 PRO HG3 H 1 1.22 0.005 . 2 . . . . . . . . . 6269 1 412 . 1 1 40 40 PRO HD2 H 1 3.69 0.005 . 2 . . . . . . . . . 6269 1 413 . 1 1 40 40 PRO HD3 H 1 3.35 0.005 . 2 . . . . . . . . . 6269 1 414 . 1 1 41 41 ASN N N 15 117.5 0.05 . 1 . . . . . . . . . 6269 1 415 . 1 1 41 41 ASN H H 1 8.08 0.005 . 1 . . . . . . . . . 6269 1 416 . 1 1 41 41 ASN CA C 13 51.3 0.05 . 1 . . . . . . . . . 6269 1 417 . 1 1 41 41 ASN HA H 1 4.83 0.005 . 1 . . . . . . . . . 6269 1 418 . 1 1 41 41 ASN CB C 13 37.8 0.05 . 1 . . . . . . . . . 6269 1 419 . 1 1 41 41 ASN HB2 H 1 3.27 0.005 . 2 . . . . . . . . . 6269 1 420 . 1 1 41 41 ASN HB3 H 1 2.86 0.005 . 2 . . . . . . . . . 6269 1 421 . 1 1 41 41 ASN ND2 N 15 111.4 0.05 . 1 . . . . . . . . . 6269 1 422 . 1 1 41 41 ASN HD21 H 1 7.42 0.005 . 2 . . . . . . . . . 6269 1 423 . 1 1 41 41 ASN HD22 H 1 6.73 0.005 . 2 . . . . . . . . . 6269 1 424 . 1 1 42 42 ARG N N 15 115.1 0.05 . 1 . . . . . . . . . 6269 1 425 . 1 1 42 42 ARG H H 1 7.28 0.005 . 1 . . . . . . . . . 6269 1 426 . 1 1 42 42 ARG CA C 13 53.8 0.05 . 1 . . . . . . . . . 6269 1 427 . 1 1 42 42 ARG HA H 1 4.73 0.005 . 1 . . . . . . . . . 6269 1 428 . 1 1 42 42 ARG CB C 13 33.8 0.05 . 1 . . . . . . . . . 6269 1 429 . 1 1 42 42 ARG HB2 H 1 1.64 0.005 . 2 . . . . . . . . . 6269 1 430 . 1 1 42 42 ARG HB3 H 1 1.57 0.005 . 2 . . . . . . . . . 6269 1 431 . 1 1 42 42 ARG CG C 13 24.0 0.05 . 1 . . . . . . . . . 6269 1 432 . 1 1 42 42 ARG HG2 H 1 1.50 0.005 . 2 . . . . . . . . . 6269 1 433 . 1 1 42 42 ARG HG3 H 1 1.47 0.005 . 2 . . . . . . . . . 6269 1 434 . 1 1 42 42 ARG CD C 13 44.3 0.05 . 1 . . . . . . . . . 6269 1 435 . 1 1 42 42 ARG HD2 H 1 3.15 0.005 . 2 . . . . . . . . . 6269 1 436 . 1 1 42 42 ARG HD3 H 1 3.10 0.005 . 2 . . . . . . . . . 6269 1 437 . 1 1 42 42 ARG NE N 15 85.8 0.05 . 1 . . . . . . . . . 6269 1 438 . 1 1 42 42 ARG HE H 1 7.13 0.005 . 1 . . . . . . . . . 6269 1 439 . 1 1 42 42 ARG NH1 N 15 72.0 0.05 . 1 . . . . . . . . . 6269 1 440 . 1 1 42 42 ARG HH11 H 1 6.39 0.005 . 1 . . . . . . . . . 6269 1 441 . 1 1 42 42 ARG HH12 H 1 6.39 0.005 . 1 . . . . . . . . . 6269 1 442 . 1 1 42 42 ARG NH2 N 15 72.0 0.05 . 1 . . . . . . . . . 6269 1 443 . 1 1 42 42 ARG HH21 H 1 6.96 0.005 . 1 . . . . . . . . . 6269 1 444 . 1 1 42 42 ARG HH22 H 1 6.96 0.005 . 1 . . . . . . . . . 6269 1 445 . 1 1 43 43 VAL N N 15 115.6 0.05 . 1 . . . . . . . . . 6269 1 446 . 1 1 43 43 VAL H H 1 9.10 0.005 . 1 . . . . . . . . . 6269 1 447 . 1 1 43 43 VAL CA C 13 58.9 0.05 . 1 . . . . . . . . . 6269 1 448 . 1 1 43 43 VAL HA H 1 4.88 0.005 . 1 . . . . . . . . . 6269 1 449 . 1 1 43 43 VAL CB C 13 33.7 0.05 . 1 . . . . . . . . . 6269 1 450 . 1 1 43 43 VAL HB H 1 2.76 0.005 . 1 . . . . . . . . . 6269 1 451 . 1 1 43 43 VAL HG11 H 1 1.15 0.005 . 2 . . . . . . . . . 6269 1 452 . 1 1 43 43 VAL HG12 H 1 1.15 0.005 . 2 . . . . . . . . . 6269 1 453 . 1 1 43 43 VAL HG13 H 1 1.15 0.005 . 2 . . . . . . . . . 6269 1 454 . 1 1 43 43 VAL HG21 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 455 . 1 1 43 43 VAL HG22 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 456 . 1 1 43 43 VAL HG23 H 1 0.89 0.005 . 2 . . . . . . . . . 6269 1 457 . 1 1 43 43 VAL CG1 C 13 24.1 0.05 . 1 . . . . . . . . . 6269 1 458 . 1 1 43 43 VAL CG2 C 13 18.4 0.05 . 1 . . . . . . . . . 6269 1 459 . 1 1 44 44 TYR N N 15 120.6 0.05 . 1 . . . . . . . . . 6269 1 460 . 1 1 44 44 TYR H H 1 8.44 0.005 . 1 . . . . . . . . . 6269 1 461 . 1 1 44 44 TYR CA C 13 56.1 0.05 . 1 . . . . . . . . . 6269 1 462 . 1 1 44 44 TYR HA H 1 5.33 0.005 . 1 . . . . . . . . . 6269 1 463 . 1 1 44 44 TYR CB C 13 42.4 0.05 . 1 . . . . . . . . . 6269 1 464 . 1 1 44 44 TYR HB2 H 1 2.51 0.005 . 2 . . . . . . . . . 6269 1 465 . 1 1 44 44 TYR HB3 H 1 2.48 0.005 . 2 . . . . . . . . . 6269 1 466 . 1 1 44 44 TYR HD1 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 467 . 1 1 44 44 TYR HD2 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 468 . 1 1 44 44 TYR HE1 H 1 6.51 0.005 . 1 . . . . . . . . . 6269 1 469 . 1 1 44 44 TYR HE2 H 1 6.51 0.005 . 1 . . . . . . . . . 6269 1 470 . 1 1 44 44 TYR CD1 C 13 132.4 0.05 . 1 . . . . . . . . . 6269 1 471 . 1 1 44 44 TYR CE1 C 13 117.7 0.05 . 1 . . . . . . . . . 6269 1 472 . 1 1 45 45 TYR N N 15 113.0 0.05 . 1 . . . . . . . . . 6269 1 473 . 1 1 45 45 TYR H H 1 8.45 0.005 . 1 . . . . . . . . . 6269 1 474 . 1 1 45 45 TYR CA C 13 55.0 0.05 . 1 . . . . . . . . . 6269 1 475 . 1 1 45 45 TYR HA H 1 4.54 0.005 . 1 . . . . . . . . . 6269 1 476 . 1 1 45 45 TYR CB C 13 40.1 0.05 . 1 . . . . . . . . . 6269 1 477 . 1 1 45 45 TYR HB2 H 1 2.71 0.005 . 2 . . . . . . . . . 6269 1 478 . 1 1 45 45 TYR HB3 H 1 2.46 0.005 . 2 . . . . . . . . . 6269 1 479 . 1 1 45 45 TYR HD1 H 1 6.93 0.005 . 1 . . . . . . . . . 6269 1 480 . 1 1 45 45 TYR HD2 H 1 6.93 0.005 . 1 . . . . . . . . . 6269 1 481 . 1 1 45 45 TYR HE1 H 1 6.55 0.005 . 1 . . . . . . . . . 6269 1 482 . 1 1 45 45 TYR HE2 H 1 6.55 0.005 . 1 . . . . . . . . . 6269 1 483 . 1 1 45 45 TYR CD1 C 13 134.4 0.05 . 1 . . . . . . . . . 6269 1 484 . 1 1 45 45 TYR CE1 C 13 117.7 0.05 . 1 . . . . . . . . . 6269 1 485 . 1 1 46 46 ARG N N 15 120.4 0.05 . 1 . . . . . . . . . 6269 1 486 . 1 1 46 46 ARG H H 1 7.80 0.005 . 1 . . . . . . . . . 6269 1 487 . 1 1 46 46 ARG CA C 13 54.1 0.05 . 1 . . . . . . . . . 6269 1 488 . 1 1 46 46 ARG HA H 1 4.25 0.005 . 1 . . . . . . . . . 6269 1 489 . 1 1 46 46 ARG CB C 13 31.0 0.05 . 1 . . . . . . . . . 6269 1 490 . 1 1 46 46 ARG HB2 H 1 1.14 0.005 . 2 . . . . . . . . . 6269 1 491 . 1 1 46 46 ARG HB3 H 1 1.09 0.005 . 2 . . . . . . . . . 6269 1 492 . 1 1 46 46 ARG CG C 13 26.3 0.05 . 1 . . . . . . . . . 6269 1 493 . 1 1 46 46 ARG HG2 H 1 1.04 0.005 . 2 . . . . . . . . . 6269 1 494 . 1 1 46 46 ARG HG3 H 1 1.02 0.005 . 2 . . . . . . . . . 6269 1 495 . 1 1 46 46 ARG CD C 13 42.6 0.05 . 1 . . . . . . . . . 6269 1 496 . 1 1 46 46 ARG HD2 H 1 2.87 0.005 . 2 . . . . . . . . . 6269 1 497 . 1 1 46 46 ARG HD3 H 1 2.76 0.005 . 2 . . . . . . . . . 6269 1 498 . 1 1 46 46 ARG NE N 15 86.0 0.05 . 1 . . . . . . . . . 6269 1 499 . 1 1 46 46 ARG HE H 1 6.85 0.005 . 1 . . . . . . . . . 6269 1 500 . 1 1 46 46 ARG HH11 H 1 6.61 0.005 . 1 . . . . . . . . . 6269 1 501 . 1 1 46 46 ARG HH12 H 1 6.61 0.005 . 1 . . . . . . . . . 6269 1 502 . 1 1 47 47 ASP N N 15 119.9 0.05 . 1 . . . . . . . . . 6269 1 503 . 1 1 47 47 ASP H H 1 7.79 0.005 . 1 . . . . . . . . . 6269 1 504 . 1 1 47 47 ASP CA C 13 51.5 0.05 . 1 . . . . . . . . . 6269 1 505 . 1 1 47 47 ASP HA H 1 5.01 0.005 . 1 . . . . . . . . . 6269 1 506 . 1 1 47 47 ASP CB C 13 38.5 0.05 . 1 . . . . . . . . . 6269 1 507 . 1 1 47 47 ASP HB2 H 1 2.83 0.005 . 2 . . . . . . . . . 6269 1 508 . 1 1 47 47 ASP HB3 H 1 2.47 0.005 . 2 . . . . . . . . . 6269 1 509 . 1 1 48 48 TYR N N 15 122.8 0.05 . 1 . . . . . . . . . 6269 1 510 . 1 1 48 48 TYR H H 1 8.13 0.005 . 1 . . . . . . . . . 6269 1 511 . 1 1 48 48 TYR CA C 13 58.0 0.05 . 1 . . . . . . . . . 6269 1 512 . 1 1 48 48 TYR HA H 1 4.64 0.005 . 1 . . . . . . . . . 6269 1 513 . 1 1 48 48 TYR CB C 13 41.1 0.05 . 1 . . . . . . . . . 6269 1 514 . 1 1 48 48 TYR HB2 H 1 3.49 0.005 . 2 . . . . . . . . . 6269 1 515 . 1 1 48 48 TYR HB3 H 1 3.01 0.005 . 2 . . . . . . . . . 6269 1 516 . 1 1 48 48 TYR HD1 H 1 7.28 0.005 . 1 . . . . . . . . . 6269 1 517 . 1 1 48 48 TYR HD2 H 1 7.28 0.005 . 1 . . . . . . . . . 6269 1 518 . 1 1 48 48 TYR HE1 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 519 . 1 1 48 48 TYR HE2 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 520 . 1 1 48 48 TYR CD1 C 13 134.0 0.05 . 1 . . . . . . . . . 6269 1 521 . 1 1 48 48 TYR CE1 C 13 118.1 0.05 . 1 . . . . . . . . . 6269 1 522 . 1 1 49 49 SER N N 15 118.4 0.05 . 1 . . . . . . . . . 6269 1 523 . 1 1 49 49 SER H H 1 9.07 0.005 . 1 . . . . . . . . . 6269 1 524 . 1 1 49 49 SER CA C 13 58.9 0.05 . 1 . . . . . . . . . 6269 1 525 . 1 1 49 49 SER HA H 1 4.46 0.005 . 1 . . . . . . . . . 6269 1 526 . 1 1 49 49 SER CB C 13 63.1 0.05 . 1 . . . . . . . . . 6269 1 527 . 1 1 49 49 SER HB2 H 1 4.05 0.005 . 2 . . . . . . . . . 6269 1 528 . 1 1 49 49 SER HB3 H 1 3.95 0.005 . 2 . . . . . . . . . 6269 1 529 . 1 1 50 50 SER N N 15 118.1 0.05 . 1 . . . . . . . . . 6269 1 530 . 1 1 50 50 SER H H 1 7.76 0.005 . 1 . . . . . . . . . 6269 1 531 . 1 1 50 50 SER CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 532 . 1 1 50 50 SER HA H 1 4.93 0.005 . 1 . . . . . . . . . 6269 1 533 . 1 1 50 50 SER CB C 13 63.4 0.05 . 1 . . . . . . . . . 6269 1 534 . 1 1 50 50 SER HB2 H 1 3.90 0.005 . 2 . . . . . . . . . 6269 1 535 . 1 1 50 50 SER HB3 H 1 3.84 0.005 . 2 . . . . . . . . . 6269 1 536 . 1 1 51 51 PRO CD C 13 50.6 0.05 . 1 . . . . . . . . . 6269 1 537 . 1 1 51 51 PRO CA C 13 63.4 0.05 . 1 . . . . . . . . . 6269 1 538 . 1 1 51 51 PRO HA H 1 4.54 0.005 . 1 . . . . . . . . . 6269 1 539 . 1 1 51 51 PRO CB C 13 31.5 0.05 . 1 . . . . . . . . . 6269 1 540 . 1 1 51 51 PRO HB2 H 1 2.29 0.005 . 2 . . . . . . . . . 6269 1 541 . 1 1 51 51 PRO HB3 H 1 1.84 0.005 . 2 . . . . . . . . . 6269 1 542 . 1 1 51 51 PRO CG C 13 27.3 0.05 . 1 . . . . . . . . . 6269 1 543 . 1 1 51 51 PRO HG2 H 1 2.11 0.005 . 2 . . . . . . . . . 6269 1 544 . 1 1 51 51 PRO HG3 H 1 1.95 0.005 . 2 . . . . . . . . . 6269 1 545 . 1 1 51 51 PRO HD2 H 1 3.84 0.005 . 2 . . . . . . . . . 6269 1 546 . 1 1 51 51 PRO HD3 H 1 3.65 0.005 . 2 . . . . . . . . . 6269 1 547 . 1 1 52 52 VAL N N 15 119.9 0.05 . 1 . . . . . . . . . 6269 1 548 . 1 1 52 52 VAL H H 1 7.94 0.005 . 1 . . . . . . . . . 6269 1 549 . 1 1 52 52 VAL CA C 13 57.1 0.05 . 1 . . . . . . . . . 6269 1 550 . 1 1 52 52 VAL HA H 1 4.88 0.005 . 1 . . . . . . . . . 6269 1 551 . 1 1 52 52 VAL CB C 13 33.1 0.05 . 1 . . . . . . . . . 6269 1 552 . 1 1 52 52 VAL HB H 1 1.86 0.005 . 1 . . . . . . . . . 6269 1 553 . 1 1 52 52 VAL HG11 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 554 . 1 1 52 52 VAL HG12 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 555 . 1 1 52 52 VAL HG13 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 556 . 1 1 52 52 VAL HG21 H 1 0.49 0.005 . 2 . . . . . . . . . 6269 1 557 . 1 1 52 52 VAL HG22 H 1 0.49 0.005 . 2 . . . . . . . . . 6269 1 558 . 1 1 52 52 VAL HG23 H 1 0.49 0.005 . 2 . . . . . . . . . 6269 1 559 . 1 1 52 52 VAL CG1 C 13 20.8 0.05 . 1 . . . . . . . . . 6269 1 560 . 1 1 52 52 VAL CG2 C 13 17.7 0.05 . 1 . . . . . . . . . 6269 1 561 . 1 1 53 53 PRO CD C 13 50.8 0.05 . 1 . . . . . . . . . 6269 1 562 . 1 1 53 53 PRO CA C 13 61.5 0.05 . 1 . . . . . . . . . 6269 1 563 . 1 1 53 53 PRO HA H 1 4.62 0.005 . 1 . . . . . . . . . 6269 1 564 . 1 1 53 53 PRO CB C 13 32.6 0.05 . 1 . . . . . . . . . 6269 1 565 . 1 1 53 53 PRO HB2 H 1 2.42 0.005 . 2 . . . . . . . . . 6269 1 566 . 1 1 53 53 PRO HB3 H 1 2.02 0.005 . 2 . . . . . . . . . 6269 1 567 . 1 1 53 53 PRO CG C 13 27.3 0.05 . 1 . . . . . . . . . 6269 1 568 . 1 1 53 53 PRO HG2 H 1 2.03 0.005 . 1 . . . . . . . . . 6269 1 569 . 1 1 53 53 PRO HG3 H 1 2.03 0.005 . 1 . . . . . . . . . 6269 1 570 . 1 1 53 53 PRO HD2 H 1 3.87 0.005 . 2 . . . . . . . . . 6269 1 571 . 1 1 53 53 PRO HD3 H 1 3.50 0.005 . 2 . . . . . . . . . 6269 1 572 . 1 1 54 54 GLN N N 15 124.2 0.05 . 1 . . . . . . . . . 6269 1 573 . 1 1 54 54 GLN H H 1 8.71 0.005 . 1 . . . . . . . . . 6269 1 574 . 1 1 54 54 GLN CA C 13 58.5 0.05 . 1 . . . . . . . . . 6269 1 575 . 1 1 54 54 GLN HA H 1 4.64 0.005 . 1 . . . . . . . . . 6269 1 576 . 1 1 54 54 GLN CB C 13 29.6 0.05 . 1 . . . . . . . . . 6269 1 577 . 1 1 54 54 GLN HB2 H 1 2.26 0.005 . 1 . . . . . . . . . 6269 1 578 . 1 1 54 54 GLN HB3 H 1 2.26 0.005 . 1 . . . . . . . . . 6269 1 579 . 1 1 54 54 GLN CG C 13 33.6 0.05 . 1 . . . . . . . . . 6269 1 580 . 1 1 54 54 GLN HG2 H 1 1.91 0.005 . 2 . . . . . . . . . 6269 1 581 . 1 1 54 54 GLN HG3 H 1 1.42 0.005 . 2 . . . . . . . . . 6269 1 582 . 1 1 54 54 GLN NE2 N 15 114.2 0.05 . 1 . . . . . . . . . 6269 1 583 . 1 1 54 54 GLN HE21 H 1 7.44 0.005 . 2 . . . . . . . . . 6269 1 584 . 1 1 54 54 GLN HE22 H 1 6.89 0.005 . 2 . . . . . . . . . 6269 1 585 . 1 1 55 55 ASP N N 15 115.6 0.05 . 1 . . . . . . . . . 6269 1 586 . 1 1 55 55 ASP H H 1 8.69 0.005 . 1 . . . . . . . . . 6269 1 587 . 1 1 55 55 ASP CA C 13 56.6 0.05 . 1 . . . . . . . . . 6269 1 588 . 1 1 55 55 ASP HA H 1 4.16 0.005 . 1 . . . . . . . . . 6269 1 589 . 1 1 55 55 ASP CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 590 . 1 1 55 55 ASP HB2 H 1 2.69 0.005 . 2 . . . . . . . . . 6269 1 591 . 1 1 55 55 ASP HB3 H 1 2.58 0.005 . 2 . . . . . . . . . 6269 1 592 . 1 1 56 56 VAL N N 15 123.1 0.05 . 1 . . . . . . . . . 6269 1 593 . 1 1 56 56 VAL H H 1 6.90 0.005 . 1 . . . . . . . . . 6269 1 594 . 1 1 56 56 VAL CA C 13 65.0 0.05 . 1 . . . . . . . . . 6269 1 595 . 1 1 56 56 VAL HA H 1 3.71 0.005 . 1 . . . . . . . . . 6269 1 596 . 1 1 56 56 VAL CB C 13 32.4 0.05 . 1 . . . . . . . . . 6269 1 597 . 1 1 56 56 VAL HB H 1 1.86 0.005 . 1 . . . . . . . . . 6269 1 598 . 1 1 56 56 VAL HG11 H 1 1.00 0.005 . 2 . . . . . . . . . 6269 1 599 . 1 1 56 56 VAL HG12 H 1 1.00 0.005 . 2 . . . . . . . . . 6269 1 600 . 1 1 56 56 VAL HG13 H 1 1.00 0.005 . 2 . . . . . . . . . 6269 1 601 . 1 1 56 56 VAL HG21 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 602 . 1 1 56 56 VAL HG22 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 603 . 1 1 56 56 VAL HG23 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 604 . 1 1 56 56 VAL CG1 C 13 21.7 0.05 . 1 . . . . . . . . . 6269 1 605 . 1 1 56 56 VAL CG2 C 13 20.1 0.05 . 1 . . . . . . . . . 6269 1 606 . 1 1 57 57 PHE N N 15 120.7 0.05 . 1 . . . . . . . . . 6269 1 607 . 1 1 57 57 PHE H H 1 7.51 0.005 . 1 . . . . . . . . . 6269 1 608 . 1 1 57 57 PHE CA C 13 60.3 0.05 . 1 . . . . . . . . . 6269 1 609 . 1 1 57 57 PHE HA H 1 4.35 0.005 . 1 . . . . . . . . . 6269 1 610 . 1 1 57 57 PHE CB C 13 40.1 0.05 . 1 . . . . . . . . . 6269 1 611 . 1 1 57 57 PHE HB2 H 1 3.07 0.005 . 2 . . . . . . . . . 6269 1 612 . 1 1 57 57 PHE HB3 H 1 2.79 0.005 . 2 . . . . . . . . . 6269 1 613 . 1 1 57 57 PHE HD1 H 1 7.04 0.005 . 1 . . . . . . . . . 6269 1 614 . 1 1 57 57 PHE HD2 H 1 7.04 0.005 . 1 . . . . . . . . . 6269 1 615 . 1 1 57 57 PHE HE1 H 1 6.42 0.005 . 1 . . . . . . . . . 6269 1 616 . 1 1 57 57 PHE HE2 H 1 6.42 0.005 . 1 . . . . . . . . . 6269 1 617 . 1 1 57 57 PHE CD1 C 13 132.8 0.05 . 1 . . . . . . . . . 6269 1 618 . 1 1 57 57 PHE CE1 C 13 129.5 0.05 . 1 . . . . . . . . . 6269 1 619 . 1 1 57 57 PHE HZ H 1 6.92 0.005 . 1 . . . . . . . . . 6269 1 620 . 1 1 58 58 VAL N N 15 119.7 0.05 . 1 . . . . . . . . . 6269 1 621 . 1 1 58 58 VAL H H 1 9.21 0.005 . 1 . . . . . . . . . 6269 1 622 . 1 1 58 58 VAL CA C 13 67.1 0.05 . 1 . . . . . . . . . 6269 1 623 . 1 1 58 58 VAL HA H 1 3.60 0.005 . 1 . . . . . . . . . 6269 1 624 . 1 1 58 58 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . . 6269 1 625 . 1 1 58 58 VAL HB H 1 2.13 0.005 . 1 . . . . . . . . . 6269 1 626 . 1 1 58 58 VAL HG11 H 1 1.08 0.005 . 2 . . . . . . . . . 6269 1 627 . 1 1 58 58 VAL HG12 H 1 1.08 0.005 . 2 . . . . . . . . . 6269 1 628 . 1 1 58 58 VAL HG13 H 1 1.08 0.005 . 2 . . . . . . . . . 6269 1 629 . 1 1 58 58 VAL HG21 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 630 . 1 1 58 58 VAL HG22 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 631 . 1 1 58 58 VAL HG23 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 632 . 1 1 58 58 VAL CG1 C 13 24.3 0.05 . 1 . . . . . . . . . 6269 1 633 . 1 1 58 58 VAL CG2 C 13 20.5 0.05 . 1 . . . . . . . . . 6269 1 634 . 1 1 59 59 ALA N N 15 124.2 0.05 . 1 . . . . . . . . . 6269 1 635 . 1 1 59 59 ALA H H 1 7.67 0.005 . 1 . . . . . . . . . 6269 1 636 . 1 1 59 59 ALA CA C 13 55.2 0.05 . 1 . . . . . . . . . 6269 1 637 . 1 1 59 59 ALA HA H 1 4.19 0.005 . 1 . . . . . . . . . 6269 1 638 . 1 1 59 59 ALA HB1 H 1 1.55 0.005 . 1 . . . . . . . . . 6269 1 639 . 1 1 59 59 ALA HB2 H 1 1.55 0.005 . 1 . . . . . . . . . 6269 1 640 . 1 1 59 59 ALA HB3 H 1 1.55 0.005 . 1 . . . . . . . . . 6269 1 641 . 1 1 59 59 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . . 6269 1 642 . 1 1 60 60 ASP N N 15 119.7 0.05 . 1 . . . . . . . . . 6269 1 643 . 1 1 60 60 ASP H H 1 7.97 0.005 . 1 . . . . . . . . . 6269 1 644 . 1 1 60 60 ASP CA C 13 56.8 0.05 . 1 . . . . . . . . . 6269 1 645 . 1 1 60 60 ASP HA H 1 4.56 0.005 . 1 . . . . . . . . . 6269 1 646 . 1 1 60 60 ASP CB C 13 39.9 0.05 . 1 . . . . . . . . . 6269 1 647 . 1 1 60 60 ASP HB2 H 1 2.94 0.005 . 2 . . . . . . . . . 6269 1 648 . 1 1 60 60 ASP HB3 H 1 2.52 0.005 . 2 . . . . . . . . . 6269 1 649 . 1 1 61 61 CYS N N 15 121.9 0.05 . 1 . . . . . . . . . 6269 1 650 . 1 1 61 61 CYS H H 1 8.62 0.005 . 1 . . . . . . . . . 6269 1 651 . 1 1 61 61 CYS CA C 13 58.0 0.05 . 1 . . . . . . . . . 6269 1 652 . 1 1 61 61 CYS HA H 1 4.61 0.005 . 1 . . . . . . . . . 6269 1 653 . 1 1 61 61 CYS CB C 13 39.6 0.05 . 1 . . . . . . . . . 6269 1 654 . 1 1 61 61 CYS HB2 H 1 3.44 0.005 . 2 . . . . . . . . . 6269 1 655 . 1 1 61 61 CYS HB3 H 1 2.96 0.005 . 2 . . . . . . . . . 6269 1 656 . 1 1 62 62 PHE N N 15 127.1 0.05 . 1 . . . . . . . . . 6269 1 657 . 1 1 62 62 PHE H H 1 9.48 0.005 . 1 . . . . . . . . . 6269 1 658 . 1 1 62 62 PHE CA C 13 62.0 0.05 . 1 . . . . . . . . . 6269 1 659 . 1 1 62 62 PHE HA H 1 3.93 0.005 . 1 . . . . . . . . . 6269 1 660 . 1 1 62 62 PHE CB C 13 39.6 0.05 . 1 . . . . . . . . . 6269 1 661 . 1 1 62 62 PHE HB2 H 1 3.38 0.005 . 2 . . . . . . . . . 6269 1 662 . 1 1 62 62 PHE HB3 H 1 3.06 0.005 . 2 . . . . . . . . . 6269 1 663 . 1 1 62 62 PHE HD1 H 1 7.11 0.005 . 1 . . . . . . . . . 6269 1 664 . 1 1 62 62 PHE HD2 H 1 7.11 0.005 . 1 . . . . . . . . . 6269 1 665 . 1 1 62 62 PHE HE1 H 1 7.54 0.005 . 1 . . . . . . . . . 6269 1 666 . 1 1 62 62 PHE HE2 H 1 7.54 0.005 . 1 . . . . . . . . . 6269 1 667 . 1 1 62 62 PHE CD1 C 13 132.0 0.05 . 1 . . . . . . . . . 6269 1 668 . 1 1 62 62 PHE CE1 C 13 131.5 0.05 . 1 . . . . . . . . . 6269 1 669 . 1 1 62 62 PHE CZ C 13 129.5 0.05 . 1 . . . . . . . . . 6269 1 670 . 1 1 62 62 PHE HZ H 1 7.28 0.005 . 1 . . . . . . . . . 6269 1 671 . 1 1 63 63 ASN N N 15 118.3 0.05 . 1 . . . . . . . . . 6269 1 672 . 1 1 63 63 ASN H H 1 8.25 0.005 . 1 . . . . . . . . . 6269 1 673 . 1 1 63 63 ASN CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 674 . 1 1 63 63 ASN HA H 1 4.36 0.005 . 1 . . . . . . . . . 6269 1 675 . 1 1 63 63 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 676 . 1 1 63 63 ASN HB2 H 1 3.03 0.005 . 2 . . . . . . . . . 6269 1 677 . 1 1 63 63 ASN HB3 H 1 2.86 0.005 . 2 . . . . . . . . . 6269 1 678 . 1 1 63 63 ASN ND2 N 15 114.8 0.05 . 1 . . . . . . . . . 6269 1 679 . 1 1 63 63 ASN HD21 H 1 7.83 0.005 . 2 . . . . . . . . . 6269 1 680 . 1 1 63 63 ASN HD22 H 1 6.96 0.005 . 2 . . . . . . . . . 6269 1 681 . 1 1 64 64 ILE N N 15 122.3 0.05 . 1 . . . . . . . . . 6269 1 682 . 1 1 64 64 ILE H H 1 8.84 0.005 . 1 . . . . . . . . . 6269 1 683 . 1 1 64 64 ILE CA C 13 63.1 0.05 . 1 . . . . . . . . . 6269 1 684 . 1 1 64 64 ILE HA H 1 3.62 0.005 . 1 . . . . . . . . . 6269 1 685 . 1 1 64 64 ILE CB C 13 37.8 0.05 . 1 . . . . . . . . . 6269 1 686 . 1 1 64 64 ILE HB H 1 1.43 0.005 . 1 . . . . . . . . . 6269 1 687 . 1 1 64 64 ILE HG21 H 1 0.27 0.005 . 1 . . . . . . . . . 6269 1 688 . 1 1 64 64 ILE HG22 H 1 0.27 0.005 . 1 . . . . . . . . . 6269 1 689 . 1 1 64 64 ILE HG23 H 1 0.27 0.005 . 1 . . . . . . . . . 6269 1 690 . 1 1 64 64 ILE CG2 C 13 18.4 0.05 . 1 . . . . . . . . . 6269 1 691 . 1 1 64 64 ILE CG1 C 13 28.2 0.05 . 1 . . . . . . . . . 6269 1 692 . 1 1 64 64 ILE HG12 H 1 1.25 0.005 . 2 . . . . . . . . . 6269 1 693 . 1 1 64 64 ILE HG13 H 1 0.38 0.005 . 2 . . . . . . . . . 6269 1 694 . 1 1 64 64 ILE HD11 H 1 0.33 0.005 . 1 . . . . . . . . . 6269 1 695 . 1 1 64 64 ILE HD12 H 1 0.33 0.005 . 1 . . . . . . . . . 6269 1 696 . 1 1 64 64 ILE HD13 H 1 0.33 0.005 . 1 . . . . . . . . . 6269 1 697 . 1 1 64 64 ILE CD1 C 13 13.5 0.05 . 1 . . . . . . . . . 6269 1 698 . 1 1 65 65 THR N N 15 120.1 0.05 . 1 . . . . . . . . . 6269 1 699 . 1 1 65 65 THR H H 1 8.41 0.005 . 1 . . . . . . . . . 6269 1 700 . 1 1 65 65 THR CA C 13 69.2 0.05 . 1 . . . . . . . . . 6269 1 701 . 1 1 65 65 THR HA H 1 3.80 0.005 . 1 . . . . . . . . . 6269 1 702 . 1 1 65 65 THR CB C 13 67.6 0.05 . 1 . . . . . . . . . 6269 1 703 . 1 1 65 65 THR HB H 1 4.33 0.005 . 1 . . . . . . . . . 6269 1 704 . 1 1 65 65 THR HG21 H 1 1.46 0.005 . 1 . . . . . . . . . 6269 1 705 . 1 1 65 65 THR HG22 H 1 1.46 0.005 . 1 . . . . . . . . . 6269 1 706 . 1 1 65 65 THR HG23 H 1 1.46 0.005 . 1 . . . . . . . . . 6269 1 707 . 1 1 65 65 THR HG1 H 1 5.91 0.005 . 1 . . . . . . . . . 6269 1 708 . 1 1 65 65 THR CG2 C 13 22.6 0.05 . 1 . . . . . . . . . 6269 1 709 . 1 1 66 66 VAL N N 15 117.5 0.05 . 1 . . . . . . . . . 6269 1 710 . 1 1 66 66 VAL H H 1 8.53 0.005 . 1 . . . . . . . . . 6269 1 711 . 1 1 66 66 VAL CA C 13 65.9 0.05 . 1 . . . . . . . . . 6269 1 712 . 1 1 66 66 VAL HA H 1 3.72 0.005 . 1 . . . . . . . . . 6269 1 713 . 1 1 66 66 VAL CB C 13 29.8 0.05 . 1 . . . . . . . . . 6269 1 714 . 1 1 66 66 VAL HB H 1 2.21 0.005 . 1 . . . . . . . . . 6269 1 715 . 1 1 66 66 VAL HG11 H 1 0.75 0.005 . 2 . . . . . . . . . 6269 1 716 . 1 1 66 66 VAL HG12 H 1 0.75 0.005 . 2 . . . . . . . . . 6269 1 717 . 1 1 66 66 VAL HG13 H 1 0.75 0.005 . 2 . . . . . . . . . 6269 1 718 . 1 1 66 66 VAL HG21 H 1 0.54 0.005 . 2 . . . . . . . . . 6269 1 719 . 1 1 66 66 VAL HG22 H 1 0.54 0.005 . 2 . . . . . . . . . 6269 1 720 . 1 1 66 66 VAL HG23 H 1 0.54 0.005 . 2 . . . . . . . . . 6269 1 721 . 1 1 66 66 VAL CG1 C 13 19.8 0.05 . 1 . . . . . . . . . 6269 1 722 . 1 1 66 66 VAL CG2 C 13 21.0 0.05 . 1 . . . . . . . . . 6269 1 723 . 1 1 67 67 THR N N 15 117.7 0.05 . 1 . . . . . . . . . 6269 1 724 . 1 1 67 67 THR H H 1 7.36 0.005 . 1 . . . . . . . . . 6269 1 725 . 1 1 67 67 THR CA C 13 66.2 0.05 . 1 . . . . . . . . . 6269 1 726 . 1 1 67 67 THR HA H 1 3.88 0.005 . 1 . . . . . . . . . 6269 1 727 . 1 1 67 67 THR CB C 13 68.0 0.05 . 1 . . . . . . . . . 6269 1 728 . 1 1 67 67 THR HB H 1 4.18 0.005 . 1 . . . . . . . . . 6269 1 729 . 1 1 67 67 THR HG21 H 1 1.13 0.005 . 1 . . . . . . . . . 6269 1 730 . 1 1 67 67 THR HG22 H 1 1.13 0.005 . 1 . . . . . . . . . 6269 1 731 . 1 1 67 67 THR HG23 H 1 1.13 0.005 . 1 . . . . . . . . . 6269 1 732 . 1 1 67 67 THR CG2 C 13 20.8 0.05 . 1 . . . . . . . . . 6269 1 733 . 1 1 68 68 GLU N N 15 123.2 0.05 . 1 . . . . . . . . . 6269 1 734 . 1 1 68 68 GLU H H 1 8.43 0.005 . 1 . . . . . . . . . 6269 1 735 . 1 1 68 68 GLU HA H 1 4.21 0.005 . 1 . . . . . . . . . 6269 1 736 . 1 1 68 68 GLU HB2 H 1 1.90 0.005 . 2 . . . . . . . . . 6269 1 737 . 1 1 68 68 GLU HB3 H 1 1.54 0.005 . 2 . . . . . . . . . 6269 1 738 . 1 1 68 68 GLU HG2 H 1 2.16 0.005 . 1 . . . . . . . . . 6269 1 739 . 1 1 68 68 GLU HG3 H 1 2.16 0.005 . 1 . . . . . . . . . 6269 1 740 . 1 1 69 69 TYR N N 15 116.3 0.05 . 1 . . . . . . . . . 6269 1 741 . 1 1 69 69 TYR H H 1 7.72 0.005 . 1 . . . . . . . . . 6269 1 742 . 1 1 69 69 TYR CA C 13 57.8 0.05 . 1 . . . . . . . . . 6269 1 743 . 1 1 69 69 TYR HA H 1 4.66 0.005 . 1 . . . . . . . . . 6269 1 744 . 1 1 69 69 TYR CB C 13 38.5 0.05 . 1 . . . . . . . . . 6269 1 745 . 1 1 69 69 TYR HB2 H 1 3.35 0.005 . 2 . . . . . . . . . 6269 1 746 . 1 1 69 69 TYR HB3 H 1 2.73 0.005 . 2 . . . . . . . . . 6269 1 747 . 1 1 69 69 TYR HD1 H 1 7.36 0.005 . 1 . . . . . . . . . 6269 1 748 . 1 1 69 69 TYR HD2 H 1 7.36 0.005 . 1 . . . . . . . . . 6269 1 749 . 1 1 69 69 TYR HE1 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 750 . 1 1 69 69 TYR HE2 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 751 . 1 1 69 69 TYR CD1 C 13 132.8 0.05 . 1 . . . . . . . . . 6269 1 752 . 1 1 69 69 TYR CE1 C 13 118.1 0.05 . 1 . . . . . . . . . 6269 1 753 . 1 1 70 70 SER N N 15 117.0 0.05 . 1 . . . . . . . . . 6269 1 754 . 1 1 70 70 SER H H 1 7.75 0.005 . 1 . . . . . . . . . 6269 1 755 . 1 1 70 70 SER CA C 13 58.7 0.05 . 1 . . . . . . . . . 6269 1 756 . 1 1 70 70 SER HA H 1 3.98 0.005 . 1 . . . . . . . . . 6269 1 757 . 1 1 70 70 SER CB C 13 61.3 0.05 . 1 . . . . . . . . . 6269 1 758 . 1 1 70 70 SER HB2 H 1 4.03 0.005 . 1 . . . . . . . . . 6269 1 759 . 1 1 70 70 SER HB3 H 1 4.03 0.005 . 1 . . . . . . . . . 6269 1 760 . 1 1 71 71 ILE N N 15 116.6 0.05 . 1 . . . . . . . . . 6269 1 761 . 1 1 71 71 ILE H H 1 7.84 0.005 . 1 . . . . . . . . . 6269 1 762 . 1 1 71 71 ILE CA C 13 59.2 0.05 . 1 . . . . . . . . . 6269 1 763 . 1 1 71 71 ILE HA H 1 4.59 0.005 . 1 . . . . . . . . . 6269 1 764 . 1 1 71 71 ILE CB C 13 40.5 0.05 . 1 . . . . . . . . . 6269 1 765 . 1 1 71 71 ILE HB H 1 1.96 0.005 . 1 . . . . . . . . . 6269 1 766 . 1 1 71 71 ILE HG21 H 1 0.98 0.005 . 1 . . . . . . . . . 6269 1 767 . 1 1 71 71 ILE HG22 H 1 0.98 0.005 . 1 . . . . . . . . . 6269 1 768 . 1 1 71 71 ILE HG23 H 1 0.98 0.005 . 1 . . . . . . . . . 6269 1 769 . 1 1 71 71 ILE CG2 C 13 17.0 0.05 . 1 . . . . . . . . . 6269 1 770 . 1 1 71 71 ILE CG1 C 13 26.3 0.05 . 1 . . . . . . . . . 6269 1 771 . 1 1 71 71 ILE HG12 H 1 1.43 0.005 . 2 . . . . . . . . . 6269 1 772 . 1 1 71 71 ILE HG13 H 1 1.23 0.005 . 2 . . . . . . . . . 6269 1 773 . 1 1 71 71 ILE HD11 H 1 0.87 0.005 . 1 . . . . . . . . . 6269 1 774 . 1 1 71 71 ILE HD12 H 1 0.87 0.005 . 1 . . . . . . . . . 6269 1 775 . 1 1 71 71 ILE HD13 H 1 0.87 0.005 . 1 . . . . . . . . . 6269 1 776 . 1 1 71 71 ILE CD1 C 13 13.6 0.05 . 1 . . . . . . . . . 6269 1 777 . 1 1 72 72 GLY N N 15 114.0 0.05 . 1 . . . . . . . . . 6269 1 778 . 1 1 72 72 GLY H H 1 8.96 0.005 . 1 . . . . . . . . . 6269 1 779 . 1 1 72 72 GLY CA C 13 44.5 0.05 . 1 . . . . . . . . . 6269 1 780 . 1 1 72 72 GLY HA2 H 1 4.00 0.005 . 2 . . . . . . . . . 6269 1 781 . 1 1 72 72 GLY HA3 H 1 3.86 0.005 . 2 . . . . . . . . . 6269 1 782 . 1 1 73 73 PRO CD C 13 49.9 0.05 . 1 . . . . . . . . . 6269 1 783 . 1 1 73 73 PRO CA C 13 63.6 0.05 . 1 . . . . . . . . . 6269 1 784 . 1 1 73 73 PRO HA H 1 4.40 0.005 . 1 . . . . . . . . . 6269 1 785 . 1 1 73 73 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . . 6269 1 786 . 1 1 73 73 PRO HB2 H 1 2.34 0.005 . 2 . . . . . . . . . 6269 1 787 . 1 1 73 73 PRO HB3 H 1 2.03 0.005 . 2 . . . . . . . . . 6269 1 788 . 1 1 73 73 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . . 6269 1 789 . 1 1 73 73 PRO HG2 H 1 2.15 0.005 . 2 . . . . . . . . . 6269 1 790 . 1 1 73 73 PRO HG3 H 1 2.08 0.005 . 2 . . . . . . . . . 6269 1 791 . 1 1 73 73 PRO HD2 H 1 3.81 0.005 . 2 . . . . . . . . . 6269 1 792 . 1 1 73 73 PRO HD3 H 1 3.74 0.005 . 2 . . . . . . . . . 6269 1 793 . 1 1 74 74 ALA N N 15 123.4 0.05 . 1 . . . . . . . . . 6269 1 794 . 1 1 74 74 ALA H H 1 7.87 0.005 . 1 . . . . . . . . . 6269 1 795 . 1 1 74 74 ALA CA C 13 51.8 0.05 . 1 . . . . . . . . . 6269 1 796 . 1 1 74 74 ALA HA H 1 4.32 0.005 . 1 . . . . . . . . . 6269 1 797 . 1 1 74 74 ALA HB1 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 798 . 1 1 74 74 ALA HB2 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 799 . 1 1 74 74 ALA HB3 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 800 . 1 1 74 74 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . . 6269 1 801 . 1 1 75 75 ALA N N 15 123.6 0.05 . 1 . . . . . . . . . 6269 1 802 . 1 1 75 75 ALA H H 1 7.56 0.005 . 1 . . . . . . . . . 6269 1 803 . 1 1 75 75 ALA CA C 13 52.2 0.05 . 1 . . . . . . . . . 6269 1 804 . 1 1 75 75 ALA HA H 1 4.12 0.005 . 1 . . . . . . . . . 6269 1 805 . 1 1 75 75 ALA HB1 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 806 . 1 1 75 75 ALA HB2 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 807 . 1 1 75 75 ALA HB3 H 1 1.36 0.005 . 1 . . . . . . . . . 6269 1 808 . 1 1 75 75 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . . 6269 1 809 . 1 1 76 76 LYS N N 15 122.8 0.05 . 1 . . . . . . . . . 6269 1 810 . 1 1 76 76 LYS H H 1 8.24 0.005 . 1 . . . . . . . . . 6269 1 811 . 1 1 76 76 LYS CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 812 . 1 1 76 76 LYS HA H 1 4.23 0.005 . 1 . . . . . . . . . 6269 1 813 . 1 1 76 76 LYS CB C 13 32.7 0.05 . 1 . . . . . . . . . 6269 1 814 . 1 1 76 76 LYS HB2 H 1 1.80 0.005 . 2 . . . . . . . . . 6269 1 815 . 1 1 76 76 LYS HB3 H 1 1.74 0.005 . 2 . . . . . . . . . 6269 1 816 . 1 1 76 76 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . . 6269 1 817 . 1 1 76 76 LYS HG2 H 1 1.48 0.005 . 2 . . . . . . . . . 6269 1 818 . 1 1 76 76 LYS HG3 H 1 1.42 0.005 . 2 . . . . . . . . . 6269 1 819 . 1 1 76 76 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . . 6269 1 820 . 1 1 76 76 LYS HD2 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 821 . 1 1 76 76 LYS HD3 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 822 . 1 1 76 76 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . . 6269 1 823 . 1 1 76 76 LYS HE2 H 1 3.00 0.005 . 1 . . . . . . . . . 6269 1 824 . 1 1 76 76 LYS HE3 H 1 3.00 0.005 . 1 . . . . . . . . . 6269 1 825 . 1 1 77 77 LYS N N 15 124.4 0.05 . 1 . . . . . . . . . 6269 1 826 . 1 1 77 77 LYS H H 1 8.36 0.005 . 1 . . . . . . . . . 6269 1 827 . 1 1 77 77 LYS CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 828 . 1 1 77 77 LYS HA H 1 4.27 0.005 . 1 . . . . . . . . . 6269 1 829 . 1 1 77 77 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . . 6269 1 830 . 1 1 77 77 LYS HB2 H 1 1.80 0.005 . 2 . . . . . . . . . 6269 1 831 . 1 1 77 77 LYS HB3 H 1 1.75 0.005 . 2 . . . . . . . . . 6269 1 832 . 1 1 77 77 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . . 6269 1 833 . 1 1 77 77 LYS HG2 H 1 1.43 0.005 . 2 . . . . . . . . . 6269 1 834 . 1 1 77 77 LYS HG3 H 1 1.39 0.005 . 2 . . . . . . . . . 6269 1 835 . 1 1 77 77 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . . 6269 1 836 . 1 1 77 77 LYS HD2 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 837 . 1 1 77 77 LYS HD3 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 838 . 1 1 77 77 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . . 6269 1 839 . 1 1 77 77 LYS HE2 H 1 2.98 0.005 . 1 . . . . . . . . . 6269 1 840 . 1 1 77 77 LYS HE3 H 1 2.98 0.005 . 1 . . . . . . . . . 6269 1 841 . 1 1 78 78 ASN N N 15 122.0 0.05 . 1 . . . . . . . . . 6269 1 842 . 1 1 78 78 ASN H H 1 8.56 0.005 . 1 . . . . . . . . . 6269 1 843 . 1 1 78 78 ASN CA C 13 52.7 0.05 . 1 . . . . . . . . . 6269 1 844 . 1 1 78 78 ASN HA H 1 4.76 0.005 . 1 . . . . . . . . . 6269 1 845 . 1 1 78 78 ASN CB C 13 38.4 0.05 . 1 . . . . . . . . . 6269 1 846 . 1 1 78 78 ASN HB2 H 1 2.86 0.005 . 2 . . . . . . . . . 6269 1 847 . 1 1 78 78 ASN HB3 H 1 2.81 0.005 . 2 . . . . . . . . . 6269 1 848 . 1 1 78 78 ASN ND2 N 15 114.7 0.05 . 1 . . . . . . . . . 6269 1 849 . 1 1 78 78 ASN HD21 H 1 7.65 0.005 . 2 . . . . . . . . . 6269 1 850 . 1 1 78 78 ASN HD22 H 1 6.95 0.005 . 2 . . . . . . . . . 6269 1 851 . 1 1 79 79 THR N N 15 115.6 0.05 . 1 . . . . . . . . . 6269 1 852 . 1 1 79 79 THR H H 1 8.15 0.005 . 1 . . . . . . . . . 6269 1 853 . 1 1 79 79 THR CA C 13 61.5 0.05 . 1 . . . . . . . . . 6269 1 854 . 1 1 79 79 THR HA H 1 4.34 0.005 . 1 . . . . . . . . . 6269 1 855 . 1 1 79 79 THR CB C 13 69.2 0.05 . 1 . . . . . . . . . 6269 1 856 . 1 1 79 79 THR HB H 1 4.33 0.005 . 1 . . . . . . . . . 6269 1 857 . 1 1 79 79 THR HG21 H 1 1.18 0.005 . 1 . . . . . . . . . 6269 1 858 . 1 1 79 79 THR HG22 H 1 1.18 0.005 . 1 . . . . . . . . . 6269 1 859 . 1 1 79 79 THR HG23 H 1 1.18 0.005 . 1 . . . . . . . . . 6269 1 860 . 1 1 79 79 THR CG2 C 13 21.2 0.05 . 1 . . . . . . . . . 6269 1 861 . 1 1 80 80 SER N N 15 119.1 0.05 . 1 . . . . . . . . . 6269 1 862 . 1 1 80 80 SER H H 1 8.36 0.005 . 1 . . . . . . . . . 6269 1 863 . 1 1 80 80 SER CA C 13 58.2 0.05 . 1 . . . . . . . . . 6269 1 864 . 1 1 80 80 SER HA H 1 4.43 0.005 . 1 . . . . . . . . . 6269 1 865 . 1 1 80 80 SER CB C 13 62.9 0.05 . 1 . . . . . . . . . 6269 1 866 . 1 1 80 80 SER HB2 H 1 3.94 0.005 . 2 . . . . . . . . . 6269 1 867 . 1 1 80 80 SER HB3 H 1 3.88 0.005 . 2 . . . . . . . . . 6269 1 868 . 1 1 81 81 GLU N N 15 124.2 0.05 . 1 . . . . . . . . . 6269 1 869 . 1 1 81 81 GLU H H 1 8.36 0.005 . 1 . . . . . . . . . 6269 1 870 . 1 1 81 81 GLU CA C 13 57.1 0.05 . 1 . . . . . . . . . 6269 1 871 . 1 1 81 81 GLU HA H 1 4.07 0.005 . 1 . . . . . . . . . 6269 1 872 . 1 1 81 81 GLU CB C 13 28.4 0.05 . 1 . . . . . . . . . 6269 1 873 . 1 1 81 81 GLU HB2 H 1 2.07 0.005 . 2 . . . . . . . . . 6269 1 874 . 1 1 81 81 GLU HB3 H 1 1.92 0.005 . 2 . . . . . . . . . 6269 1 875 . 1 1 81 81 GLU CG C 13 34.3 0.05 . 1 . . . . . . . . . 6269 1 876 . 1 1 81 81 GLU HG2 H 1 2.46 0.005 . 2 . . . . . . . . . 6269 1 877 . 1 1 81 81 GLU HG3 H 1 2.30 0.005 . 2 . . . . . . . . . 6269 1 878 . 1 1 82 82 ALA N N 15 125.9 0.05 . 1 . . . . . . . . . 6269 1 879 . 1 1 82 82 ALA H H 1 8.23 0.005 . 1 . . . . . . . . . 6269 1 880 . 1 1 82 82 ALA CA C 13 52.5 0.05 . 1 . . . . . . . . . 6269 1 881 . 1 1 82 82 ALA HA H 1 4.25 0.005 . 1 . . . . . . . . . 6269 1 882 . 1 1 82 82 ALA HB1 H 1 1.38 0.005 . 1 . . . . . . . . . 6269 1 883 . 1 1 82 82 ALA HB2 H 1 1.38 0.005 . 1 . . . . . . . . . 6269 1 884 . 1 1 82 82 ALA HB3 H 1 1.38 0.005 . 1 . . . . . . . . . 6269 1 885 . 1 1 82 82 ALA CB C 13 18.7 0.05 . 1 . . . . . . . . . 6269 1 886 . 1 1 83 83 VAL N N 15 120.6 0.05 . 1 . . . . . . . . . 6269 1 887 . 1 1 83 83 VAL H H 1 7.92 0.005 . 1 . . . . . . . . . 6269 1 888 . 1 1 83 83 VAL CA C 13 62.2 0.05 . 1 . . . . . . . . . 6269 1 889 . 1 1 83 83 VAL HA H 1 4.01 0.005 . 1 . . . . . . . . . 6269 1 890 . 1 1 83 83 VAL CB C 13 32.5 0.05 . 1 . . . . . . . . . 6269 1 891 . 1 1 83 83 VAL HB H 1 2.06 0.005 . 1 . . . . . . . . . 6269 1 892 . 1 1 83 83 VAL HG11 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 893 . 1 1 83 83 VAL HG12 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 894 . 1 1 83 83 VAL HG13 H 1 0.93 0.005 . 2 . . . . . . . . . 6269 1 895 . 1 1 83 83 VAL HG21 H 1 0.94 0.005 . 2 . . . . . . . . . 6269 1 896 . 1 1 83 83 VAL HG22 H 1 0.94 0.005 . 2 . . . . . . . . . 6269 1 897 . 1 1 83 83 VAL HG23 H 1 0.94 0.005 . 2 . . . . . . . . . 6269 1 898 . 1 1 83 83 VAL CG1 C 13 21.0 0.05 . 1 . . . . . . . . . 6269 1 899 . 1 1 83 83 VAL CG2 C 13 20.8 0.05 . 1 . . . . . . . . . 6269 1 900 . 1 1 84 84 ALA N N 15 128.5 0.05 . 1 . . . . . . . . . 6269 1 901 . 1 1 84 84 ALA H H 1 8.26 0.005 . 1 . . . . . . . . . 6269 1 902 . 1 1 84 84 ALA CA C 13 52.4 0.05 . 1 . . . . . . . . . 6269 1 903 . 1 1 84 84 ALA HA H 1 4.26 0.005 . 1 . . . . . . . . . 6269 1 904 . 1 1 84 84 ALA HB1 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 905 . 1 1 84 84 ALA HB2 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 906 . 1 1 84 84 ALA HB3 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 907 . 1 1 84 84 ALA CB C 13 18.7 0.05 . 1 . . . . . . . . . 6269 1 908 . 1 1 85 85 ALA N N 15 124.7 0.05 . 1 . . . . . . . . . 6269 1 909 . 1 1 85 85 ALA H H 1 8.24 0.005 . 1 . . . . . . . . . 6269 1 910 . 1 1 85 85 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . . 6269 1 911 . 1 1 85 85 ALA HA H 1 4.24 0.005 . 1 . . . . . . . . . 6269 1 912 . 1 1 85 85 ALA HB1 H 1 1.39 0.005 . 1 . . . . . . . . . 6269 1 913 . 1 1 85 85 ALA HB2 H 1 1.39 0.005 . 1 . . . . . . . . . 6269 1 914 . 1 1 85 85 ALA HB3 H 1 1.39 0.005 . 1 . . . . . . . . . 6269 1 915 . 1 1 85 85 ALA CB C 13 18.4 0.05 . 1 . . . . . . . . . 6269 1 916 . 1 1 86 86 ALA N N 15 123.8 0.05 . 1 . . . . . . . . . 6269 1 917 . 1 1 86 86 ALA H H 1 8.20 0.005 . 1 . . . . . . . . . 6269 1 918 . 1 1 86 86 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . . 6269 1 919 . 1 1 86 86 ALA HA H 1 4.21 0.005 . 1 . . . . . . . . . 6269 1 920 . 1 1 86 86 ALA HB1 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 921 . 1 1 86 86 ALA HB2 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 922 . 1 1 86 86 ALA HB3 H 1 1.40 0.005 . 1 . . . . . . . . . 6269 1 923 . 1 1 86 86 ALA CB C 13 18.4 0.05 . 1 . . . . . . . . . 6269 1 924 . 1 1 87 87 ASN N N 15 118.8 0.05 . 1 . . . . . . . . . 6269 1 925 . 1 1 87 87 ASN H H 1 8.21 0.005 . 1 . . . . . . . . . 6269 1 926 . 1 1 87 87 ASN CA C 13 52.7 0.05 . 1 . . . . . . . . . 6269 1 927 . 1 1 87 87 ASN HA H 1 4.74 0.005 . 1 . . . . . . . . . 6269 1 928 . 1 1 87 87 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 929 . 1 1 87 87 ASN HB2 H 1 2.94 0.005 . 2 . . . . . . . . . 6269 1 930 . 1 1 87 87 ASN HB3 H 1 2.86 0.005 . 2 . . . . . . . . . 6269 1 931 . 1 1 87 87 ASN ND2 N 15 114.5 0.05 . 1 . . . . . . . . . 6269 1 932 . 1 1 87 87 ASN HD21 H 1 7.71 0.005 . 2 . . . . . . . . . 6269 1 933 . 1 1 87 87 ASN HD22 H 1 6.99 0.005 . 2 . . . . . . . . . 6269 1 934 . 1 1 88 88 GLN N N 15 123.2 0.05 . 1 . . . . . . . . . 6269 1 935 . 1 1 88 88 GLN H H 1 8.41 0.005 . 1 . . . . . . . . . 6269 1 936 . 1 1 88 88 GLN CA C 13 58.0 0.05 . 1 . . . . . . . . . 6269 1 937 . 1 1 88 88 GLN HA H 1 4.09 0.005 . 1 . . . . . . . . . 6269 1 938 . 1 1 88 88 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . . 6269 1 939 . 1 1 88 88 GLN HB2 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 940 . 1 1 88 88 GLN HB3 H 1 2.11 0.005 . 1 . . . . . . . . . 6269 1 941 . 1 1 88 88 GLN CG C 13 33.4 0.05 . 1 . . . . . . . . . 6269 1 942 . 1 1 88 88 GLN HG2 H 1 2.41 0.005 . 1 . . . . . . . . . 6269 1 943 . 1 1 88 88 GLN HG3 H 1 2.41 0.005 . 1 . . . . . . . . . 6269 1 944 . 1 1 88 88 GLN NE2 N 15 114.2 0.05 . 1 . . . . . . . . . 6269 1 945 . 1 1 88 88 GLN HE21 H 1 7.60 0.005 . 2 . . . . . . . . . 6269 1 946 . 1 1 88 88 GLN HE22 H 1 6.86 0.005 . 2 . . . . . . . . . 6269 1 947 . 1 1 89 89 THR N N 15 116.6 0.05 . 1 . . . . . . . . . 6269 1 948 . 1 1 89 89 THR H H 1 8.23 0.005 . 1 . . . . . . . . . 6269 1 949 . 1 1 89 89 THR CA C 13 65.0 0.05 . 1 . . . . . . . . . 6269 1 950 . 1 1 89 89 THR HA H 1 4.00 0.005 . 1 . . . . . . . . . 6269 1 951 . 1 1 89 89 THR CB C 13 68.0 0.05 . 1 . . . . . . . . . 6269 1 952 . 1 1 89 89 THR HB H 1 4.21 0.005 . 1 . . . . . . . . . 6269 1 953 . 1 1 89 89 THR HG21 H 1 1.23 0.005 . 1 . . . . . . . . . 6269 1 954 . 1 1 89 89 THR HG22 H 1 1.23 0.005 . 1 . . . . . . . . . 6269 1 955 . 1 1 89 89 THR HG23 H 1 1.23 0.005 . 1 . . . . . . . . . 6269 1 956 . 1 1 89 89 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . . 6269 1 957 . 1 1 90 90 GLU N N 15 124.4 0.05 . 1 . . . . . . . . . 6269 1 958 . 1 1 90 90 GLU H H 1 7.94 0.005 . 1 . . . . . . . . . 6269 1 959 . 1 1 90 90 GLU CA C 13 58.5 0.05 . 1 . . . . . . . . . 6269 1 960 . 1 1 90 90 GLU HA H 1 4.03 0.005 . 1 . . . . . . . . . 6269 1 961 . 1 1 90 90 GLU HB2 H 1 2.18 0.005 . 1 . . . . . . . . . 6269 1 962 . 1 1 90 90 GLU HB3 H 1 2.18 0.005 . 1 . . . . . . . . . 6269 1 963 . 1 1 90 90 GLU HG2 H 1 2.47 0.005 . 1 . . . . . . . . . 6269 1 964 . 1 1 90 90 GLU HG3 H 1 2.47 0.005 . 1 . . . . . . . . . 6269 1 965 . 1 1 91 91 VAL N N 15 121.9 0.05 . 1 . . . . . . . . . 6269 1 966 . 1 1 91 91 VAL H H 1 7.86 0.005 . 1 . . . . . . . . . 6269 1 967 . 1 1 91 91 VAL CA C 13 65.5 0.05 . 1 . . . . . . . . . 6269 1 968 . 1 1 91 91 VAL HA H 1 3.58 0.005 . 1 . . . . . . . . . 6269 1 969 . 1 1 91 91 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . . 6269 1 970 . 1 1 91 91 VAL HB H 1 2.06 0.005 . 1 . . . . . . . . . 6269 1 971 . 1 1 91 91 VAL HG11 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 972 . 1 1 91 91 VAL HG12 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 973 . 1 1 91 91 VAL HG13 H 1 1.01 0.005 . 2 . . . . . . . . . 6269 1 974 . 1 1 91 91 VAL HG21 H 1 0.91 0.005 . 2 . . . . . . . . . 6269 1 975 . 1 1 91 91 VAL HG22 H 1 0.91 0.005 . 2 . . . . . . . . . 6269 1 976 . 1 1 91 91 VAL HG23 H 1 0.91 0.005 . 2 . . . . . . . . . 6269 1 977 . 1 1 91 91 VAL CG1 C 13 22.2 0.05 . 1 . . . . . . . . . 6269 1 978 . 1 1 91 91 VAL CG2 C 13 20.8 0.05 . 1 . . . . . . . . . 6269 1 979 . 1 1 92 92 GLU N N 15 121.3 0.05 . 1 . . . . . . . . . 6269 1 980 . 1 1 92 92 GLU H H 1 8.04 0.005 . 1 . . . . . . . . . 6269 1 981 . 1 1 92 92 GLU CA C 13 58.2 0.05 . 1 . . . . . . . . . 6269 1 982 . 1 1 92 92 GLU HA H 1 4.03 0.005 . 1 . . . . . . . . . 6269 1 983 . 1 1 92 92 GLU CB C 13 28.0 0.05 . 1 . . . . . . . . . 6269 1 984 . 1 1 92 92 GLU HB2 H 1 2.10 0.005 . 2 . . . . . . . . . 6269 1 985 . 1 1 92 92 GLU HB3 H 1 2.02 0.005 . 2 . . . . . . . . . 6269 1 986 . 1 1 92 92 GLU CG C 13 34.0 0.05 . 1 . . . . . . . . . 6269 1 987 . 1 1 92 92 GLU HG2 H 1 2.48 0.005 . 2 . . . . . . . . . 6269 1 988 . 1 1 92 92 GLU HG3 H 1 2.35 0.005 . 2 . . . . . . . . . 6269 1 989 . 1 1 93 93 MET N N 15 121.3 0.05 . 1 . . . . . . . . . 6269 1 990 . 1 1 93 93 MET H H 1 7.76 0.005 . 1 . . . . . . . . . 6269 1 991 . 1 1 93 93 MET CA C 13 57.3 0.05 . 1 . . . . . . . . . 6269 1 992 . 1 1 93 93 MET HA H 1 3.87 0.005 . 1 . . . . . . . . . 6269 1 993 . 1 1 93 93 MET CB C 13 30.3 0.05 . 1 . . . . . . . . . 6269 1 994 . 1 1 93 93 MET HB2 H 1 1.68 0.005 . 2 . . . . . . . . . 6269 1 995 . 1 1 93 93 MET HB3 H 1 1.16 0.005 . 2 . . . . . . . . . 6269 1 996 . 1 1 93 93 MET CG C 13 31.5 0.05 . 1 . . . . . . . . . 6269 1 997 . 1 1 93 93 MET HG2 H 1 2.02 0.005 . 1 . . . . . . . . . 6269 1 998 . 1 1 93 93 MET HG3 H 1 2.02 0.005 . 1 . . . . . . . . . 6269 1 999 . 1 1 93 93 MET HE1 H 1 1.73 0.005 . 1 . . . . . . . . . 6269 1 1000 . 1 1 93 93 MET HE2 H 1 1.73 0.005 . 1 . . . . . . . . . 6269 1 1001 . 1 1 93 93 MET HE3 H 1 1.73 0.005 . 1 . . . . . . . . . 6269 1 1002 . 1 1 93 93 MET CE C 13 16.7 0.05 . 1 . . . . . . . . . 6269 1 1003 . 1 1 94 94 GLU N N 15 121.2 0.05 . 1 . . . . . . . . . 6269 1 1004 . 1 1 94 94 GLU H H 1 8.04 0.005 . 1 . . . . . . . . . 6269 1 1005 . 1 1 94 94 GLU HB2 H 1 1.97 0.005 . 1 . . . . . . . . . 6269 1 1006 . 1 1 94 94 GLU HB3 H 1 1.97 0.005 . 1 . . . . . . . . . 6269 1 1007 . 1 1 95 95 ASN N N 15 116.8 0.05 . 1 . . . . . . . . . 6269 1 1008 . 1 1 95 95 ASN H H 1 7.95 0.005 . 1 . . . . . . . . . 6269 1 1009 . 1 1 95 95 ASN CA C 13 55.9 0.05 . 1 . . . . . . . . . 6269 1 1010 . 1 1 95 95 ASN HA H 1 4.31 0.005 . 1 . . . . . . . . . 6269 1 1011 . 1 1 95 95 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . . 6269 1 1012 . 1 1 95 95 ASN HB2 H 1 2.81 0.005 . 2 . . . . . . . . . 6269 1 1013 . 1 1 95 95 ASN HB3 H 1 2.71 0.005 . 2 . . . . . . . . . 6269 1 1014 . 1 1 95 95 ASN ND2 N 15 113.5 0.05 . 1 . . . . . . . . . 6269 1 1015 . 1 1 95 95 ASN HD21 H 1 7.56 0.005 . 2 . . . . . . . . . 6269 1 1016 . 1 1 95 95 ASN HD22 H 1 6.82 0.005 . 2 . . . . . . . . . 6269 1 1017 . 1 1 96 96 LYS N N 15 122.6 0.05 . 1 . . . . . . . . . 6269 1 1018 . 1 1 96 96 LYS H H 1 8.07 0.005 . 1 . . . . . . . . . 6269 1 1019 . 1 1 96 96 LYS CA C 13 58.9 0.05 . 1 . . . . . . . . . 6269 1 1020 . 1 1 96 96 LYS HA H 1 3.99 0.005 . 1 . . . . . . . . . 6269 1 1021 . 1 1 96 96 LYS CB C 13 32.2 0.05 . 1 . . . . . . . . . 6269 1 1022 . 1 1 96 96 LYS HB2 H 1 1.98 0.005 . 2 . . . . . . . . . 6269 1 1023 . 1 1 96 96 LYS HB3 H 1 1.78 0.005 . 2 . . . . . . . . . 6269 1 1024 . 1 1 96 96 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . . 6269 1 1025 . 1 1 96 96 LYS HG2 H 1 1.51 0.005 . 2 . . . . . . . . . 6269 1 1026 . 1 1 96 96 LYS HG3 H 1 1.37 0.005 . 2 . . . . . . . . . 6269 1 1027 . 1 1 96 96 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . . 6269 1 1028 . 1 1 96 96 LYS HD2 H 1 1.61 0.005 . 1 . . . . . . . . . 6269 1 1029 . 1 1 96 96 LYS HD3 H 1 1.61 0.005 . 1 . . . . . . . . . 6269 1 1030 . 1 1 96 96 LYS CE C 13 41.5 0.05 . 1 . . . . . . . . . 6269 1 1031 . 1 1 96 96 LYS HE2 H 1 2.92 0.005 . 1 . . . . . . . . . 6269 1 1032 . 1 1 96 96 LYS HE3 H 1 2.92 0.005 . 1 . . . . . . . . . 6269 1 1033 . 1 1 97 97 VAL N N 15 121.2 0.05 . 1 . . . . . . . . . 6269 1 1034 . 1 1 97 97 VAL H H 1 8.36 0.005 . 1 . . . . . . . . . 6269 1 1035 . 1 1 97 97 VAL CA C 13 66.2 0.05 . 1 . . . . . . . . . 6269 1 1036 . 1 1 97 97 VAL HA H 1 3.45 0.005 . 1 . . . . . . . . . 6269 1 1037 . 1 1 97 97 VAL CB C 13 31.2 0.05 . 1 . . . . . . . . . 6269 1 1038 . 1 1 97 97 VAL HB H 1 1.92 0.005 . 1 . . . . . . . . . 6269 1 1039 . 1 1 97 97 VAL HG11 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 1040 . 1 1 97 97 VAL HG12 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 1041 . 1 1 97 97 VAL HG13 H 1 0.74 0.005 . 2 . . . . . . . . . 6269 1 1042 . 1 1 97 97 VAL HG21 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1043 . 1 1 97 97 VAL HG22 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1044 . 1 1 97 97 VAL HG23 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1045 . 1 1 97 97 VAL CG1 C 13 23.3 0.05 . 1 . . . . . . . . . 6269 1 1046 . 1 1 97 97 VAL CG2 C 13 22.9 0.05 . 1 . . . . . . . . . 6269 1 1047 . 1 1 98 98 VAL N N 15 123.0 0.05 . 1 . . . . . . . . . 6269 1 1048 . 1 1 98 98 VAL H H 1 8.95 0.005 . 1 . . . . . . . . . 6269 1 1049 . 1 1 98 98 VAL CA C 13 66.6 0.05 . 1 . . . . . . . . . 6269 1 1050 . 1 1 98 98 VAL HA H 1 3.18 0.005 . 1 . . . . . . . . . 6269 1 1051 . 1 1 98 98 VAL CB C 13 30.8 0.05 . 1 . . . . . . . . . 6269 1 1052 . 1 1 98 98 VAL HB H 1 2.12 0.005 . 1 . . . . . . . . . 6269 1 1053 . 1 1 98 98 VAL HG11 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1054 . 1 1 98 98 VAL HG12 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1055 . 1 1 98 98 VAL HG13 H 1 0.83 0.005 . 2 . . . . . . . . . 6269 1 1056 . 1 1 98 98 VAL HG21 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1057 . 1 1 98 98 VAL HG22 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1058 . 1 1 98 98 VAL HG23 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1059 . 1 1 98 98 VAL CG1 C 13 21.2 0.05 . 1 . . . . . . . . . 6269 1 1060 . 1 1 98 98 VAL CG2 C 13 23.3 0.05 . 1 . . . . . . . . . 6269 1 1061 . 1 1 99 99 THR N N 15 112.9 0.05 . 1 . . . . . . . . . 6269 1 1062 . 1 1 99 99 THR H H 1 7.45 0.005 . 1 . . . . . . . . . 6269 1 1063 . 1 1 99 99 THR CA C 13 66.4 0.05 . 1 . . . . . . . . . 6269 1 1064 . 1 1 99 99 THR HA H 1 3.95 0.005 . 1 . . . . . . . . . 6269 1 1065 . 1 1 99 99 THR CB C 13 68.3 0.05 . 1 . . . . . . . . . 6269 1 1066 . 1 1 99 99 THR HB H 1 4.27 0.005 . 1 . . . . . . . . . 6269 1 1067 . 1 1 99 99 THR HG21 H 1 1.27 0.005 . 1 . . . . . . . . . 6269 1 1068 . 1 1 99 99 THR HG22 H 1 1.27 0.005 . 1 . . . . . . . . . 6269 1 1069 . 1 1 99 99 THR HG23 H 1 1.27 0.005 . 1 . . . . . . . . . 6269 1 1070 . 1 1 99 99 THR CG2 C 13 21.2 0.05 . 1 . . . . . . . . . 6269 1 1071 . 1 1 100 100 LYS N N 15 123.4 0.05 . 1 . . . . . . . . . 6269 1 1072 . 1 1 100 100 LYS H H 1 6.96 0.005 . 1 . . . . . . . . . 6269 1 1073 . 1 1 100 100 LYS CA C 13 55.7 0.05 . 1 . . . . . . . . . 6269 1 1074 . 1 1 100 100 LYS HA H 1 4.23 0.005 . 1 . . . . . . . . . 6269 1 1075 . 1 1 100 100 LYS CB C 13 32.4 0.05 . 1 . . . . . . . . . 6269 1 1076 . 1 1 100 100 LYS HB2 H 1 1.81 0.005 . 2 . . . . . . . . . 6269 1 1077 . 1 1 100 100 LYS HB3 H 1 1.75 0.005 . 2 . . . . . . . . . 6269 1 1078 . 1 1 100 100 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . . 6269 1 1079 . 1 1 100 100 LYS HG2 H 1 1.44 0.005 . 2 . . . . . . . . . 6269 1 1080 . 1 1 100 100 LYS HG3 H 1 1.41 0.005 . 2 . . . . . . . . . 6269 1 1081 . 1 1 100 100 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . . 6269 1 1082 . 1 1 100 100 LYS HD2 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 1083 . 1 1 100 100 LYS HD3 H 1 1.67 0.005 . 1 . . . . . . . . . 6269 1 1084 . 1 1 100 100 LYS CE C 13 41.5 0.05 . 1 . . . . . . . . . 6269 1 1085 . 1 1 100 100 LYS HE2 H 1 2.97 0.005 . 1 . . . . . . . . . 6269 1 1086 . 1 1 100 100 LYS HE3 H 1 2.97 0.005 . 1 . . . . . . . . . 6269 1 1087 . 1 1 101 101 VAL H H 1 8.95 0.005 . 1 . . . . . . . . . 6269 1 1088 . 1 1 101 101 VAL CA C 13 65.9 0.05 . 1 . . . . . . . . . 6269 1 1089 . 1 1 101 101 VAL HA H 1 3.09 0.005 . 1 . . . . . . . . . 6269 1 1090 . 1 1 101 101 VAL CB C 13 31.2 0.05 . 1 . . . . . . . . . 6269 1 1091 . 1 1 101 101 VAL HB H 1 1.57 0.005 . 1 . . . . . . . . . 6269 1 1092 . 1 1 101 101 VAL HG11 H 1 0.39 0.005 . 2 . . . . . . . . . 6269 1 1093 . 1 1 101 101 VAL HG12 H 1 0.39 0.005 . 2 . . . . . . . . . 6269 1 1094 . 1 1 101 101 VAL HG13 H 1 0.39 0.005 . 2 . . . . . . . . . 6269 1 1095 . 1 1 101 101 VAL HG21 H 1 -0.52 0.005 . 2 . . . . . . . . . 6269 1 1096 . 1 1 101 101 VAL HG22 H 1 -0.52 0.005 . 2 . . . . . . . . . 6269 1 1097 . 1 1 101 101 VAL HG23 H 1 -0.52 0.005 . 2 . . . . . . . . . 6269 1 1098 . 1 1 101 101 VAL CG1 C 13 19.6 0.05 . 1 . . . . . . . . . 6269 1 1099 . 1 1 101 101 VAL CG2 C 13 20.0 0.05 . 1 . . . . . . . . . 6269 1 1100 . 1 1 102 102 ILE N N 15 119.2 0.05 . 1 . . . . . . . . . 6269 1 1101 . 1 1 102 102 ILE H H 1 8.34 0.005 . 1 . . . . . . . . . 6269 1 1102 . 1 1 102 102 ILE CA C 13 64.4 0.05 . 1 . . . . . . . . . 6269 1 1103 . 1 1 102 102 ILE HA H 1 3.69 0.005 . 1 . . . . . . . . . 6269 1 1104 . 1 1 102 102 ILE CB C 13 36.4 0.05 . 1 . . . . . . . . . 6269 1 1105 . 1 1 102 102 ILE HB H 1 2.04 0.005 . 1 . . . . . . . . . 6269 1 1106 . 1 1 102 102 ILE HG21 H 1 0.97 0.005 . 1 . . . . . . . . . 6269 1 1107 . 1 1 102 102 ILE HG22 H 1 0.97 0.005 . 1 . . . . . . . . . 6269 1 1108 . 1 1 102 102 ILE HG23 H 1 0.97 0.005 . 1 . . . . . . . . . 6269 1 1109 . 1 1 102 102 ILE CG2 C 13 18.8 0.05 . 1 . . . . . . . . . 6269 1 1110 . 1 1 102 102 ILE CG1 C 13 28.0 0.05 . 1 . . . . . . . . . 6269 1 1111 . 1 1 102 102 ILE HG12 H 1 1.53 0.005 . 2 . . . . . . . . . 6269 1 1112 . 1 1 102 102 ILE HG13 H 1 1.29 0.005 . 2 . . . . . . . . . 6269 1 1113 . 1 1 102 102 ILE HD11 H 1 0.60 0.005 . 1 . . . . . . . . . 6269 1 1114 . 1 1 102 102 ILE HD12 H 1 0.60 0.005 . 1 . . . . . . . . . 6269 1 1115 . 1 1 102 102 ILE HD13 H 1 0.60 0.005 . 1 . . . . . . . . . 6269 1 1116 . 1 1 102 102 ILE CD1 C 13 11.8 0.05 . 1 . . . . . . . . . 6269 1 1117 . 1 1 103 103 ARG N N 15 120.2 0.05 . 1 . . . . . . . . . 6269 1 1118 . 1 1 103 103 ARG H H 1 8.28 0.005 . 1 . . . . . . . . . 6269 1 1119 . 1 1 103 103 ARG CA C 13 61.5 0.05 . 1 . . . . . . . . . 6269 1 1120 . 1 1 103 103 ARG HA H 1 3.80 0.005 . 1 . . . . . . . . . 6269 1 1121 . 1 1 103 103 ARG CB C 13 29.4 0.05 . 1 . . . . . . . . . 6269 1 1122 . 1 1 103 103 ARG HB2 H 1 1.95 0.005 . 2 . . . . . . . . . 6269 1 1123 . 1 1 103 103 ARG HB3 H 1 1.91 0.005 . 2 . . . . . . . . . 6269 1 1124 . 1 1 103 103 ARG CG C 13 28.9 0.05 . 1 . . . . . . . . . 6269 1 1125 . 1 1 103 103 ARG HG2 H 1 1.68 0.005 . 2 . . . . . . . . . 6269 1 1126 . 1 1 103 103 ARG HG3 H 1 1.41 0.005 . 2 . . . . . . . . . 6269 1 1127 . 1 1 103 103 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . . 6269 1 1128 . 1 1 103 103 ARG HD2 H 1 2.97 0.005 . 1 . . . . . . . . . 6269 1 1129 . 1 1 103 103 ARG HD3 H 1 2.97 0.005 . 1 . . . . . . . . . 6269 1 1130 . 1 1 103 103 ARG NE N 15 85.5 0.05 . 1 . . . . . . . . . 6269 1 1131 . 1 1 103 103 ARG HE H 1 6.94 0.005 . 1 . . . . . . . . . 6269 1 1132 . 1 1 104 104 GLU N N 15 119.0 0.05 . 1 . . . . . . . . . 6269 1 1133 . 1 1 104 104 GLU H H 1 8.39 0.005 . 1 . . . . . . . . . 6269 1 1134 . 1 1 104 104 GLU CA C 13 57.8 0.05 . 1 . . . . . . . . . 6269 1 1135 . 1 1 104 104 GLU HA H 1 4.08 0.005 . 1 . . . . . . . . . 6269 1 1136 . 1 1 104 104 GLU CG C 13 33.3 0.05 . 1 . . . . . . . . . 6269 1 1137 . 1 1 104 104 GLU HG2 H 1 2.42 0.005 . 1 . . . . . . . . . 6269 1 1138 . 1 1 104 104 GLU HG3 H 1 2.42 0.005 . 1 . . . . . . . . . 6269 1 1139 . 1 1 105 105 MET N N 15 120.4 0.05 . 1 . . . . . . . . . 6269 1 1140 . 1 1 105 105 MET H H 1 8.74 0.005 . 1 . . . . . . . . . 6269 1 1141 . 1 1 105 105 MET CA C 13 60.6 0.05 . 1 . . . . . . . . . 6269 1 1142 . 1 1 105 105 MET HA H 1 4.17 0.005 . 1 . . . . . . . . . 6269 1 1143 . 1 1 105 105 MET CB C 13 35.2 0.05 . 1 . . . . . . . . . 6269 1 1144 . 1 1 105 105 MET HB2 H 1 2.51 0.005 . 2 . . . . . . . . . 6269 1 1145 . 1 1 105 105 MET HB3 H 1 2.12 0.005 . 2 . . . . . . . . . 6269 1 1146 . 1 1 105 105 MET CG C 13 34.0 0.05 . 1 . . . . . . . . . 6269 1 1147 . 1 1 105 105 MET HG2 H 1 2.50 0.005 . 2 . . . . . . . . . 6269 1 1148 . 1 1 105 105 MET HG3 H 1 1.88 0.005 . 2 . . . . . . . . . 6269 1 1149 . 1 1 105 105 MET HE1 H 1 1.98 0.005 . 1 . . . . . . . . . 6269 1 1150 . 1 1 105 105 MET HE2 H 1 1.98 0.005 . 1 . . . . . . . . . 6269 1 1151 . 1 1 105 105 MET HE3 H 1 1.98 0.005 . 1 . . . . . . . . . 6269 1 1152 . 1 1 105 105 MET CE C 13 16.3 0.05 . 1 . . . . . . . . . 6269 1 1153 . 1 1 106 106 CYS N N 15 120.2 0.05 . 1 . . . . . . . . . 6269 1 1154 . 1 1 106 106 CYS H H 1 8.91 0.005 . 1 . . . . . . . . . 6269 1 1155 . 1 1 106 106 CYS CA C 13 58.7 0.05 . 1 . . . . . . . . . 6269 1 1156 . 1 1 106 106 CYS HA H 1 4.55 0.005 . 1 . . . . . . . . . 6269 1 1157 . 1 1 106 106 CYS CB C 13 40.5 0.05 . 1 . . . . . . . . . 6269 1 1158 . 1 1 106 106 CYS HB2 H 1 3.72 0.005 . 2 . . . . . . . . . 6269 1 1159 . 1 1 106 106 CYS HB3 H 1 3.04 0.005 . 2 . . . . . . . . . 6269 1 1160 . 1 1 107 107 VAL N N 15 124.4 0.05 . 1 . . . . . . . . . 6269 1 1161 . 1 1 107 107 VAL H H 1 8.61 0.005 . 1 . . . . . . . . . 6269 1 1162 . 1 1 107 107 VAL CA C 13 66.9 0.05 . 1 . . . . . . . . . 6269 1 1163 . 1 1 107 107 VAL HA H 1 3.51 0.005 . 1 . . . . . . . . . 6269 1 1164 . 1 1 107 107 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . . 6269 1 1165 . 1 1 107 107 VAL HB H 1 2.28 0.005 . 1 . . . . . . . . . 6269 1 1166 . 1 1 107 107 VAL HG11 H 1 1.11 0.005 . 2 . . . . . . . . . 6269 1 1167 . 1 1 107 107 VAL HG12 H 1 1.11 0.005 . 2 . . . . . . . . . 6269 1 1168 . 1 1 107 107 VAL HG13 H 1 1.11 0.005 . 2 . . . . . . . . . 6269 1 1169 . 1 1 107 107 VAL HG21 H 1 0.92 0.005 . 2 . . . . . . . . . 6269 1 1170 . 1 1 107 107 VAL HG22 H 1 0.92 0.005 . 2 . . . . . . . . . 6269 1 1171 . 1 1 107 107 VAL HG23 H 1 0.92 0.005 . 2 . . . . . . . . . 6269 1 1172 . 1 1 107 107 VAL CG1 C 13 23.3 0.05 . 1 . . . . . . . . . 6269 1 1173 . 1 1 107 107 VAL CG2 C 13 21.0 0.05 . 1 . . . . . . . . . 6269 1 1174 . 1 1 108 108 GLN N N 15 121.5 0.05 . 1 . . . . . . . . . 6269 1 1175 . 1 1 108 108 GLN H H 1 7.90 0.005 . 1 . . . . . . . . . 6269 1 1176 . 1 1 108 108 GLN CA C 13 58.2 0.05 . 1 . . . . . . . . . 6269 1 1177 . 1 1 108 108 GLN HA H 1 3.99 0.005 . 1 . . . . . . . . . 6269 1 1178 . 1 1 108 108 GLN CB C 13 26.8 0.05 . 1 . . . . . . . . . 6269 1 1179 . 1 1 108 108 GLN HB2 H 1 2.20 0.005 . 1 . . . . . . . . . 6269 1 1180 . 1 1 108 108 GLN HB3 H 1 2.20 0.005 . 1 . . . . . . . . . 6269 1 1181 . 1 1 108 108 GLN CG C 13 32.6 0.05 . 1 . . . . . . . . . 6269 1 1182 . 1 1 108 108 GLN HG2 H 1 2.57 0.005 . 2 . . . . . . . . . 6269 1 1183 . 1 1 108 108 GLN HG3 H 1 2.32 0.005 . 2 . . . . . . . . . 6269 1 1184 . 1 1 108 108 GLN NE2 N 15 116.4 0.05 . 1 . . . . . . . . . 6269 1 1185 . 1 1 108 108 GLN HE21 H 1 8.19 0.005 . 2 . . . . . . . . . 6269 1 1186 . 1 1 108 108 GLN HE22 H 1 6.94 0.005 . 2 . . . . . . . . . 6269 1 1187 . 1 1 109 109 GLN N N 15 121.8 0.05 . 1 . . . . . . . . . 6269 1 1188 . 1 1 109 109 GLN H H 1 8.94 0.005 . 1 . . . . . . . . . 6269 1 1189 . 1 1 109 109 GLN CA C 13 57.3 0.05 . 1 . . . . . . . . . 6269 1 1190 . 1 1 109 109 GLN HA H 1 3.80 0.005 . 1 . . . . . . . . . 6269 1 1191 . 1 1 109 109 GLN CB C 13 28.4 0.05 . 1 . . . . . . . . . 6269 1 1192 . 1 1 109 109 GLN HB2 H 1 2.33 0.005 . 1 . . . . . . . . . 6269 1 1193 . 1 1 109 109 GLN HB3 H 1 2.33 0.005 . 1 . . . . . . . . . 6269 1 1194 . 1 1 109 109 GLN CG C 13 34.7 0.05 . 1 . . . . . . . . . 6269 1 1195 . 1 1 109 109 GLN HG2 H 1 2.08 0.005 . 1 . . . . . . . . . 6269 1 1196 . 1 1 109 109 GLN HG3 H 1 2.08 0.005 . 1 . . . . . . . . . 6269 1 1197 . 1 1 110 110 TYR N N 15 123.1 0.05 . 1 . . . . . . . . . 6269 1 1198 . 1 1 110 110 TYR H H 1 8.28 0.005 . 1 . . . . . . . . . 6269 1 1199 . 1 1 110 110 TYR CA C 13 60.6 0.05 . 1 . . . . . . . . . 6269 1 1200 . 1 1 110 110 TYR HA H 1 2.92 0.005 . 1 . . . . . . . . . 6269 1 1201 . 1 1 110 110 TYR CB C 13 36.6 0.05 . 1 . . . . . . . . . 6269 1 1202 . 1 1 110 110 TYR HB2 H 1 3.10 0.005 . 2 . . . . . . . . . 6269 1 1203 . 1 1 110 110 TYR HB3 H 1 2.73 0.005 . 2 . . . . . . . . . 6269 1 1204 . 1 1 110 110 TYR HD1 H 1 6.48 0.005 . 1 . . . . . . . . . 6269 1 1205 . 1 1 110 110 TYR HD2 H 1 6.48 0.005 . 1 . . . . . . . . . 6269 1 1206 . 1 1 110 110 TYR HE1 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 1207 . 1 1 110 110 TYR HE2 H 1 6.80 0.005 . 1 . . . . . . . . . 6269 1 1208 . 1 1 110 110 TYR CD1 C 13 132.8 0.05 . 1 . . . . . . . . . 6269 1 1209 . 1 1 110 110 TYR CE1 C 13 118.5 0.05 . 1 . . . . . . . . . 6269 1 1210 . 1 1 111 111 ARG N N 15 118.8 0.05 . 1 . . . . . . . . . 6269 1 1211 . 1 1 111 111 ARG H H 1 7.70 0.005 . 1 . . . . . . . . . 6269 1 1212 . 1 1 111 111 ARG CA C 13 58.5 0.05 . 1 . . . . . . . . . 6269 1 1213 . 1 1 111 111 ARG HA H 1 3.65 0.005 . 1 . . . . . . . . . 6269 1 1214 . 1 1 111 111 ARG CB C 13 29.4 0.05 . 1 . . . . . . . . . 6269 1 1215 . 1 1 111 111 ARG HB2 H 1 1.99 0.005 . 2 . . . . . . . . . 6269 1 1216 . 1 1 111 111 ARG HB3 H 1 1.89 0.005 . 2 . . . . . . . . . 6269 1 1217 . 1 1 111 111 ARG CG C 13 27.5 0.05 . 1 . . . . . . . . . 6269 1 1218 . 1 1 111 111 ARG HG2 H 1 1.93 0.005 . 2 . . . . . . . . . 6269 1 1219 . 1 1 111 111 ARG HG3 H 1 1.66 0.005 . 2 . . . . . . . . . 6269 1 1220 . 1 1 111 111 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . . 6269 1 1221 . 1 1 111 111 ARG HD2 H 1 3.16 0.005 . 1 . . . . . . . . . 6269 1 1222 . 1 1 111 111 ARG HD3 H 1 3.16 0.005 . 1 . . . . . . . . . 6269 1 1223 . 1 1 111 111 ARG NE N 15 86.6 0.05 . 1 . . . . . . . . . 6269 1 1224 . 1 1 111 111 ARG HE H 1 7.25 0.005 . 1 . . . . . . . . . 6269 1 1225 . 1 1 112 112 GLU N N 15 118.6 0.05 . 1 . . . . . . . . . 6269 1 1226 . 1 1 112 112 GLU H H 1 7.40 0.005 . 1 . . . . . . . . . 6269 1 1227 . 1 1 112 112 GLU CA C 13 58.7 0.05 . 1 . . . . . . . . . 6269 1 1228 . 1 1 112 112 GLU HA H 1 4.01 0.005 . 1 . . . . . . . . . 6269 1 1229 . 1 1 112 112 GLU CB C 13 32.4 0.05 . 1 . . . . . . . . . 6269 1 1230 . 1 1 112 112 GLU HB2 H 1 1.87 0.005 . 2 . . . . . . . . . 6269 1 1231 . 1 1 112 112 GLU HB3 H 1 1.78 0.005 . 2 . . . . . . . . . 6269 1 1232 . 1 1 112 112 GLU CG C 13 32.6 0.05 . 1 . . . . . . . . . 6269 1 1233 . 1 1 112 112 GLU HG2 H 1 2.00 0.005 . 1 . . . . . . . . . 6269 1 1234 . 1 1 112 112 GLU HG3 H 1 2.00 0.005 . 1 . . . . . . . . . 6269 1 1235 . 1 1 113 113 TYR N N 15 125.3 0.05 . 1 . . . . . . . . . 6269 1 1236 . 1 1 113 113 TYR H H 1 8.08 0.005 . 1 . . . . . . . . . 6269 1 1237 . 1 1 113 113 TYR CA C 13 59.2 0.05 . 1 . . . . . . . . . 6269 1 1238 . 1 1 113 113 TYR HA H 1 4.27 0.005 . 1 . . . . . . . . . 6269 1 1239 . 1 1 113 113 TYR CB C 13 38.3 0.05 . 1 . . . . . . . . . 6269 1 1240 . 1 1 113 113 TYR HB2 H 1 2.90 0.005 . 2 . . . . . . . . . 6269 1 1241 . 1 1 113 113 TYR HB3 H 1 2.69 0.005 . 2 . . . . . . . . . 6269 1 1242 . 1 1 113 113 TYR HD1 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 1243 . 1 1 113 113 TYR HD2 H 1 6.99 0.005 . 1 . . . . . . . . . 6269 1 1244 . 1 1 113 113 TYR HE1 H 1 7.08 0.005 . 1 . . . . . . . . . 6269 1 1245 . 1 1 113 113 TYR HE2 H 1 7.08 0.005 . 1 . . . . . . . . . 6269 1 1246 . 1 1 113 113 TYR CD1 C 13 133.6 0.05 . 1 . . . . . . . . . 6269 1 1247 . 1 1 113 113 TYR CE1 C 13 118.1 0.05 . 1 . . . . . . . . . 6269 1 1248 . 1 1 114 114 ARG N N 15 122.2 0.05 . 1 . . . . . . . . . 6269 1 1249 . 1 1 114 114 ARG H H 1 7.97 0.005 . 1 . . . . . . . . . 6269 1 1250 . 1 1 114 114 ARG CA C 13 55.7 0.05 . 1 . . . . . . . . . 6269 1 1251 . 1 1 114 114 ARG HA H 1 3.82 0.005 . 1 . . . . . . . . . 6269 1 1252 . 1 1 114 114 ARG CB C 13 29.1 0.05 . 1 . . . . . . . . . 6269 1 1253 . 1 1 114 114 ARG HB2 H 1 1.52 0.005 . 2 . . . . . . . . . 6269 1 1254 . 1 1 114 114 ARG HB3 H 1 1.41 0.005 . 2 . . . . . . . . . 6269 1 1255 . 1 1 114 114 ARG CG C 13 26.1 0.05 . 1 . . . . . . . . . 6269 1 1256 . 1 1 114 114 ARG HG2 H 1 1.18 0.005 . 1 . . . . . . . . . 6269 1 1257 . 1 1 114 114 ARG HG3 H 1 1.18 0.005 . 1 . . . . . . . . . 6269 1 1258 . 1 1 114 114 ARG CD C 13 42.2 0.05 . 1 . . . . . . . . . 6269 1 1259 . 1 1 114 114 ARG HD2 H 1 2.99 0.005 . 1 . . . . . . . . . 6269 1 1260 . 1 1 114 114 ARG HD3 H 1 2.99 0.005 . 1 . . . . . . . . . 6269 1 1261 . 1 1 114 114 ARG NE N 15 85.7 0.05 . 1 . . . . . . . . . 6269 1 1262 . 1 1 114 114 ARG HE H 1 7.16 0.005 . 1 . . . . . . . . . 6269 1 1263 . 1 1 115 115 LEU N N 15 122.3 0.05 . 1 . . . . . . . . . 6269 1 1264 . 1 1 115 115 LEU H H 1 7.39 0.005 . 1 . . . . . . . . . 6269 1 1265 . 1 1 115 115 LEU CA C 13 55.2 0.05 . 1 . . . . . . . . . 6269 1 1266 . 1 1 115 115 LEU HA H 1 4.19 0.005 . 1 . . . . . . . . . 6269 1 1267 . 1 1 115 115 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . . 6269 1 1268 . 1 1 115 115 LEU HB2 H 1 1.65 0.005 . 2 . . . . . . . . . 6269 1 1269 . 1 1 115 115 LEU HB3 H 1 1.55 0.005 . 2 . . . . . . . . . 6269 1 1270 . 1 1 115 115 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . . 6269 1 1271 . 1 1 115 115 LEU HG H 1 1.62 0.005 . 1 . . . . . . . . . 6269 1 1272 . 1 1 115 115 LEU HD11 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1273 . 1 1 115 115 LEU HD12 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1274 . 1 1 115 115 LEU HD13 H 1 0.85 0.005 . 2 . . . . . . . . . 6269 1 1275 . 1 1 115 115 LEU HD21 H 1 0.81 0.005 . 2 . . . . . . . . . 6269 1 1276 . 1 1 115 115 LEU HD22 H 1 0.81 0.005 . 2 . . . . . . . . . 6269 1 1277 . 1 1 115 115 LEU HD23 H 1 0.81 0.005 . 2 . . . . . . . . . 6269 1 1278 . 1 1 115 115 LEU CD1 C 13 24.6 0.05 . 1 . . . . . . . . . 6269 1 1279 . 1 1 115 115 LEU CD2 C 13 22.9 0.05 . 1 . . . . . . . . . 6269 1 1280 . 1 1 116 116 ALA N N 15 125.3 0.05 . 1 . . . . . . . . . 6269 1 1281 . 1 1 116 116 ALA H H 1 7.75 0.005 . 1 . . . . . . . . . 6269 1 1282 . 1 1 116 116 ALA CA C 13 51.7 0.05 . 1 . . . . . . . . . 6269 1 1283 . 1 1 116 116 ALA HA H 1 4.33 0.005 . 1 . . . . . . . . . 6269 1 1284 . 1 1 116 116 ALA HB1 H 1 1.35 0.005 . 1 . . . . . . . . . 6269 1 1285 . 1 1 116 116 ALA HB2 H 1 1.35 0.005 . 1 . . . . . . . . . 6269 1 1286 . 1 1 116 116 ALA HB3 H 1 1.35 0.005 . 1 . . . . . . . . . 6269 1 1287 . 1 1 116 116 ALA CB C 13 18.6 0.05 . 1 . . . . . . . . . 6269 1 1288 . 1 1 117 117 SER N N 15 122.0 0.05 . 1 . . . . . . . . . 6269 1 1289 . 1 1 117 117 SER H H 1 7.69 0.005 . 1 . . . . . . . . . 6269 1 1290 . 1 1 117 117 SER CA C 13 59.6 0.05 . 1 . . . . . . . . . 6269 1 1291 . 1 1 117 117 SER HA H 1 4.26 0.005 . 1 . . . . . . . . . 6269 1 1292 . 1 1 117 117 SER CB C 13 64.3 0.05 . 1 . . . . . . . . . 6269 1 1293 . 1 1 117 117 SER HB2 H 1 3.78 0.005 . 2 . . . . . . . . . 6269 1 1294 . 1 1 117 117 SER HB3 H 1 3.73 0.005 . 2 . . . . . . . . . 6269 1 stop_ save_