data_4117 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4117 _Entry.Title ; 1H, 15N and 13C Chemical Shift Assignment of the Guanine Nucleotide Exchange Domain of Human Elongation Factor-one Beta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-03-05 _Entry.Accession_date 1998-03-05 _Entry.Last_release_date 1999-02-02 _Entry.Original_release_date 1999-02-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Janice Perez . M.J. . 4117 2 Jan Kriek . . . 4117 3 Jan Dijk . . . 4117 4 Wim Moller . . . 4117 5 Gregg Siegal . . . 4117 6 Karl Hard . . . 4117 7 Arnout Kalverda . P. . 4117 8 Gerard Canters . W. . 4117 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4117 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 4117 '15N chemical shifts' 95 4117 '1H chemical shifts' 642 4117 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 . . 1999-02-02 1998-03-05 original author . 4117 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4117 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99052123 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Perez, J. M. J., Kriek, J., Dijk, J., Moller, W., Siegal, G., Hard, K., Kalverda, A. P., and Canters, G. W., "1H, 15N and 13C Chemical Shift Assignment of the Guanine Nucleotide Exchange Domain of Human Elongation Factor-one Beta," J. Biomol. NMR 12, 467-468 (1998). ; _Citation.Title ; 1H, 15N and 13C Chemical Shift Assignment of the Guanine Nucleotide Exchange Domain of Human Elongation Factor-one Beta ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue . _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 467 _Citation.Page_last 468 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Janice Perez . M.J. . 4117 1 2 Jan Kriek . . . 4117 1 3 Jan Dijk . . . 4117 1 4 Wim Moller . . . 4117 1 5 Gregg Siegal . . . 4117 1 6 Karl Hard . . . 4117 1 7 Arnout Kalverda . P. . 4117 1 8 Gerard Canters . W. . 4117 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G proteins' 4117 1 'Guanine nucleotide exchange' 4117 1 'protein synthesis' 4117 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4117 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7830591 _Citation.Full_citation 'Wishart and Sykes, Meth. Enzymol. 239, 363-392 (1994).' _Citation.Title 'Chemical shifts as a tool for structure determination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Meth. Enzymol.' _Citation.Journal_name_full 'Methods in enzymology' _Citation.Journal_volume 239 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0076-6879 _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 363 _Citation.Page_last 392 _Citation.Year 1994 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D S' Wishart D. S. . 4117 2 2 'B D' Sykes B. D. . 4117 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hEF-1beta _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hEF-1beta _Assembly.Entry_ID 4117 _Assembly.ID 1 _Assembly.Name 'human Elongation Factor-1beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'GDP:GTP exchange factor for Elongation Factor-1alpha' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4117 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 hEF-1beta 1 $b91 . . . native . . . . . 4117 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1B64 . 'Solution Structure Of The Guanine Nucleotide Exchange Factor Domain From Human Elongation Factor-One Beta, Nmr, 20 Structures' . . . . 4117 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID hEF-1beta abbreviation 4117 1 'human Elongation Factor-1beta' system 4117 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_b91 _Entity.Sf_category entity _Entity.Sf_framecode b91 _Entity.Entry_ID 4117 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human Elongation Factor-1beta' _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 ; MLVAKSSILLDVKPWDDETD MAKLEECVRSIQADGLVWGS SKLVPVGYGIKKLQIQCVVE DDKVGTDMLEEQITAFEDYV QSMDVAAFNKI ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10079 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1B64 . "Solution Structure Of The Guanine Nucleotide Exchange Factor Domain From Human Elongation Factor-One Beta, Nmr, 20 Structures" . . . . . 100.00 91 100.00 100.00 3.46e-57 . . . . 4117 1 2 no DBJ BAB28447 . "unnamed protein product [Mus musculus]" . . . . . 98.90 225 97.78 98.89 4.15e-54 . . . . 4117 1 3 no DBJ BAC25661 . "unnamed protein product [Mus musculus]" . . . . . 98.90 225 97.78 98.89 3.98e-54 . . . . 4117 1 4 no DBJ BAE40151 . "unnamed protein product [Mus musculus]" . . . . . 98.90 225 97.78 98.89 3.98e-54 . . . . 4117 1 5 no DBJ BAE87819 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.90 225 100.00 100.00 3.06e-55 . . . . 4117 1 6 no DBJ BAE88158 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.90 225 100.00 100.00 3.06e-55 . . . . 4117 1 7 no EMBL CAA43019 . "elongation factor-1-beta [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 8 no EMBL CAA43063 . "elongation factor 1-beta [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 9 no EMBL CAA52741 . "elongation factor 1 beta [Oryctolagus cuniculus]" . . . . . 98.90 225 98.89 98.89 1.93e-54 . . . . 4117 1 10 no EMBL CAG32662 . "hypothetical protein RCJMB04_32c11 [Gallus gallus]" . . . . . 98.90 227 97.78 100.00 2.00e-54 . . . . 4117 1 11 no EMBL CAG33106 . "EEF1B2 [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 12 no GB AAC13264 . "elongation factor 1-beta homolog [Mus musculus]" . . . . . 98.90 225 97.78 98.89 2.94e-54 . . . . 4117 1 13 no GB AAD16874 . "peptide elongation factor 1-beta [Gallus gallus]" . . . . . 98.90 225 100.00 100.00 2.28e-55 . . . . 4117 1 14 no GB AAH00211 . "Eukaryotic translation elongation factor 1 beta 2 [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 15 no GB AAH03899 . "Eukaryotic translation elongation factor 1 beta 2 [Mus musculus]" . . . . . 98.90 225 97.78 98.89 3.98e-54 . . . . 4117 1 16 no GB AAH04931 . "Eukaryotic translation elongation factor 1 beta 2 [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 17 no REF NP_001014936 . "elongation factor 1-beta [Bos taurus]" . . . . . 98.90 225 97.78 100.00 4.58e-54 . . . . 4117 1 18 no REF NP_001032752 . "elongation factor 1-beta [Homo sapiens]" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 19 no REF NP_001075868 . "elongation factor 1-beta [Oryctolagus cuniculus]" . . . . . 98.90 225 98.89 98.89 1.93e-54 . . . . 4117 1 20 no REF NP_001102269 . "elongation factor 1-beta [Rattus norvegicus]" . . . . . 98.90 225 97.78 98.89 4.73e-54 . . . . 4117 1 21 no REF NP_001230453 . "elongation factor 1-beta [Sus scrofa]" . . . . . 98.90 225 100.00 100.00 2.57e-55 . . . . 4117 1 22 no SP O70251 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta" . . . . . 98.90 225 97.78 98.89 3.98e-54 . . . . 4117 1 23 no SP P24534 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta" . . . . . 98.90 225 100.00 100.00 2.93e-55 . . . . 4117 1 24 no SP P34826 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta" . . . . . 98.90 225 98.89 98.89 1.93e-54 . . . . 4117 1 25 no SP Q5E983 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta" . . . . . 98.90 225 97.78 100.00 4.58e-54 . . . . 4117 1 26 no SP Q9YGQ1 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta" . . . . . 98.90 225 100.00 100.00 2.28e-55 . . . . 4117 1 27 no TPG DAA32476 . "TPA: elongation factor 1-beta [Bos taurus]" . . . . . 98.90 225 97.78 100.00 4.58e-54 . . . . 4117 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hEF-1beta abbreviation 4117 1 'human Elongation Factor-1beta' common 4117 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4117 1 2 135 LEU . 4117 1 3 136 VAL . 4117 1 4 137 ALA . 4117 1 5 138 LYS . 4117 1 6 139 SER . 4117 1 7 140 SER . 4117 1 8 141 ILE . 4117 1 9 142 LEU . 4117 1 10 143 LEU . 4117 1 11 144 ASP . 4117 1 12 145 VAL . 4117 1 13 146 LYS . 4117 1 14 147 PRO . 4117 1 15 148 TRP . 4117 1 16 149 ASP . 4117 1 17 150 ASP . 4117 1 18 151 GLU . 4117 1 19 152 THR . 4117 1 20 153 ASP . 4117 1 21 154 MET . 4117 1 22 155 ALA . 4117 1 23 156 LYS . 4117 1 24 157 LEU . 4117 1 25 158 GLU . 4117 1 26 159 GLU . 4117 1 27 160 CYS . 4117 1 28 161 VAL . 4117 1 29 162 ARG . 4117 1 30 163 SER . 4117 1 31 164 ILE . 4117 1 32 165 GLN . 4117 1 33 166 ALA . 4117 1 34 167 ASP . 4117 1 35 168 GLY . 4117 1 36 169 LEU . 4117 1 37 170 VAL . 4117 1 38 171 TRP . 4117 1 39 172 GLY . 4117 1 40 173 SER . 4117 1 41 174 SER . 4117 1 42 175 LYS . 4117 1 43 176 LEU . 4117 1 44 177 VAL . 4117 1 45 178 PRO . 4117 1 46 179 VAL . 4117 1 47 180 GLY . 4117 1 48 181 TYR . 4117 1 49 182 GLY . 4117 1 50 183 ILE . 4117 1 51 184 LYS . 4117 1 52 185 LYS . 4117 1 53 186 LEU . 4117 1 54 187 GLN . 4117 1 55 188 ILE . 4117 1 56 189 GLN . 4117 1 57 190 CYS . 4117 1 58 191 VAL . 4117 1 59 192 VAL . 4117 1 60 193 GLU . 4117 1 61 194 ASP . 4117 1 62 195 ASP . 4117 1 63 196 LYS . 4117 1 64 197 VAL . 4117 1 65 198 GLY . 4117 1 66 299 THR . 4117 1 67 200 ASP . 4117 1 68 201 MET . 4117 1 69 202 LEU . 4117 1 70 203 GLU . 4117 1 71 204 GLU . 4117 1 72 205 GLN . 4117 1 73 206 ILE . 4117 1 74 207 THR . 4117 1 75 208 ALA . 4117 1 76 209 PHE . 4117 1 77 210 GLU . 4117 1 78 211 ASP . 4117 1 79 212 TYR . 4117 1 80 213 VAL . 4117 1 81 214 GLN . 4117 1 82 215 SER . 4117 1 83 216 MET . 4117 1 84 217 ASP . 4117 1 85 218 VAL . 4117 1 86 219 ALA . 4117 1 87 220 ALA . 4117 1 88 221 PHE . 4117 1 89 222 ASN . 4117 1 90 223 LYS . 4117 1 91 224 ILE . 4117 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 . MET 1 1 4117 1 . LEU 2 2 4117 1 . VAL 3 3 4117 1 . ALA 4 4 4117 1 . LYS 5 5 4117 1 . SER 6 6 4117 1 . SER 7 7 4117 1 . ILE 8 8 4117 1 . LEU 9 9 4117 1 . LEU 10 10 4117 1 . ASP 11 11 4117 1 . VAL 12 12 4117 1 . LYS 13 13 4117 1 . PRO 14 14 4117 1 . TRP 15 15 4117 1 . ASP 16 16 4117 1 . ASP 17 17 4117 1 . GLU 18 18 4117 1 . THR 19 19 4117 1 . ASP 20 20 4117 1 . MET 21 21 4117 1 . ALA 22 22 4117 1 . LYS 23 23 4117 1 . LEU 24 24 4117 1 . GLU 25 25 4117 1 . GLU 26 26 4117 1 . CYS 27 27 4117 1 . VAL 28 28 4117 1 . ARG 29 29 4117 1 . SER 30 30 4117 1 . ILE 31 31 4117 1 . GLN 32 32 4117 1 . ALA 33 33 4117 1 . ASP 34 34 4117 1 . GLY 35 35 4117 1 . LEU 36 36 4117 1 . VAL 37 37 4117 1 . TRP 38 38 4117 1 . GLY 39 39 4117 1 . SER 40 40 4117 1 . SER 41 41 4117 1 . LYS 42 42 4117 1 . LEU 43 43 4117 1 . VAL 44 44 4117 1 . PRO 45 45 4117 1 . VAL 46 46 4117 1 . GLY 47 47 4117 1 . TYR 48 48 4117 1 . GLY 49 49 4117 1 . ILE 50 50 4117 1 . LYS 51 51 4117 1 . LYS 52 52 4117 1 . LEU 53 53 4117 1 . GLN 54 54 4117 1 . ILE 55 55 4117 1 . GLN 56 56 4117 1 . CYS 57 57 4117 1 . VAL 58 58 4117 1 . VAL 59 59 4117 1 . GLU 60 60 4117 1 . ASP 61 61 4117 1 . ASP 62 62 4117 1 . LYS 63 63 4117 1 . VAL 64 64 4117 1 . GLY 65 65 4117 1 . THR 66 66 4117 1 . ASP 67 67 4117 1 . MET 68 68 4117 1 . LEU 69 69 4117 1 . GLU 70 70 4117 1 . GLU 71 71 4117 1 . GLN 72 72 4117 1 . ILE 73 73 4117 1 . THR 74 74 4117 1 . ALA 75 75 4117 1 . PHE 76 76 4117 1 . GLU 77 77 4117 1 . ASP 78 78 4117 1 . TYR 79 79 4117 1 . VAL 80 80 4117 1 . GLN 81 81 4117 1 . SER 82 82 4117 1 . MET 83 83 4117 1 . ASP 84 84 4117 1 . VAL 85 85 4117 1 . ALA 86 86 4117 1 . ALA 87 87 4117 1 . PHE 88 88 4117 1 . ASN 89 89 4117 1 . LYS 90 90 4117 1 . ILE 91 91 4117 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 4117 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $b91 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'cloned from cDNA library made from human fibroblast mRNA' . . 4117 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 4117 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $b91 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . 'pET11a operating under T7 promoter and lac control' . . 4117 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4117 _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 'human Elongation Factor-1beta' '[U-13C; U-15N]' . . 1 $b91 . . 1 . . mM . . . . 4117 1 2 NaCl . . . . . . . 100 . . mM . . . . 4117 1 3 NaPO4 . . . . . . . 10 . . mM . . . . 4117 1 4 DTT . . . . . . . 1 . . mM . . . . 4117 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 4117 1 6 H2O . . . . . . . 95 . . % . . . . 4117 1 7 D2O . . . . . . . 5 . . % . . . . 4117 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4117 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 4117 1 pH 6.9 . n/a 4117 1 temperature 303 . K 4117 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4117 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4117 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4117 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 4117 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4117 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Method of Wishart and Sykes, Meth. Enzymol. 239, 363-392, (1994).' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.0 external direct . 'external to the sample' cylindrical parallel . . . . . . 4117 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct . 'external to the sample' cylindrical parallel . . . . . . 4117 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329122 . . . 2 $citation_one . . . . 4117 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4117 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4117 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 176.4 . . 1 . . . . . . . . 4117 1 2 . 1 1 3 3 VAL H H 1 8.13 . . 1 . . . . . . . . 4117 1 3 . 1 1 3 3 VAL HA H 1 4.06 . . 1 . . . . . . . . 4117 1 4 . 1 1 3 3 VAL HB H 1 1.94 . . 1 . . . . . . . . 4117 1 5 . 1 1 3 3 VAL HG11 H 1 0.83 . . 1 . . . . . . . . 4117 1 6 . 1 1 3 3 VAL HG12 H 1 0.83 . . 1 . . . . . . . . 4117 1 7 . 1 1 3 3 VAL HG13 H 1 0.83 . . 1 . . . . . . . . 4117 1 8 . 1 1 3 3 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4117 1 9 . 1 1 3 3 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4117 1 10 . 1 1 3 3 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4117 1 11 . 1 1 3 3 VAL C C 13 175.0 . . 1 . . . . . . . . 4117 1 12 . 1 1 3 3 VAL CA C 13 61.3 . . 1 . . . . . . . . 4117 1 13 . 1 1 3 3 VAL CB C 13 32.5 . . 1 . . . . . . . . 4117 1 14 . 1 1 3 3 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4117 1 15 . 1 1 3 3 VAL CG2 C 13 20.5 . . 1 . . . . . . . . 4117 1 16 . 1 1 3 3 VAL N N 15 122.4 . . 1 . . . . . . . . 4117 1 17 . 1 1 4 4 ALA H H 1 8.37 . . 1 . . . . . . . . 4117 1 18 . 1 1 4 4 ALA HA H 1 4.34 . . 1 . . . . . . . . 4117 1 19 . 1 1 4 4 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4117 1 20 . 1 1 4 4 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4117 1 21 . 1 1 4 4 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4117 1 22 . 1 1 4 4 ALA C C 13 176.8 . . 1 . . . . . . . . 4117 1 23 . 1 1 4 4 ALA CA C 13 52.0 . . 1 . . . . . . . . 4117 1 24 . 1 1 4 4 ALA CB C 13 18.8 . . 1 . . . . . . . . 4117 1 25 . 1 1 4 4 ALA N N 15 129.5 . . 1 . . . . . . . . 4117 1 26 . 1 1 5 5 LYS H H 1 8.48 . . 1 . . . . . . . . 4117 1 27 . 1 1 5 5 LYS HA H 1 5.34 . . 1 . . . . . . . . 4117 1 28 . 1 1 5 5 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 4117 1 29 . 1 1 5 5 LYS HB3 H 1 1.49 . . 2 . . . . . . . . 4117 1 30 . 1 1 5 5 LYS HG2 H 1 1.19 . . 2 . . . . . . . . 4117 1 31 . 1 1 5 5 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4117 1 32 . 1 1 5 5 LYS HD2 H 1 1.49 . . 1 . . . . . . . . 4117 1 33 . 1 1 5 5 LYS HD3 H 1 1.49 . . 1 . . . . . . . . 4117 1 34 . 1 1 5 5 LYS HE2 H 1 2.72 . . 1 . . . . . . . . 4117 1 35 . 1 1 5 5 LYS HE3 H 1 2.72 . . 1 . . . . . . . . 4117 1 36 . 1 1 5 5 LYS C C 13 176.2 . . 1 . . . . . . . . 4117 1 37 . 1 1 5 5 LYS CA C 13 54.9 . . 1 . . . . . . . . 4117 1 38 . 1 1 5 5 LYS CB C 13 37.2 . . 1 . . . . . . . . 4117 1 39 . 1 1 5 5 LYS CG C 13 25.4 . . 1 . . . . . . . . 4117 1 40 . 1 1 5 5 LYS CD C 13 29.1 . . 1 . . . . . . . . 4117 1 41 . 1 1 5 5 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 42 . 1 1 5 5 LYS N N 15 122.8 . . 1 . . . . . . . . 4117 1 43 . 1 1 6 6 SER H H 1 8.78 . . 1 . . . . . . . . 4117 1 44 . 1 1 6 6 SER HA H 1 5.02 . . 1 . . . . . . . . 4117 1 45 . 1 1 6 6 SER HB2 H 1 3.17 . . 2 . . . . . . . . 4117 1 46 . 1 1 6 6 SER HB3 H 1 3.29 . . 2 . . . . . . . . 4117 1 47 . 1 1 6 6 SER C C 13 171.9 . . 1 . . . . . . . . 4117 1 48 . 1 1 6 6 SER CA C 13 57.7 . . 1 . . . . . . . . 4117 1 49 . 1 1 6 6 SER CB C 13 65.2 . . 1 . . . . . . . . 4117 1 50 . 1 1 6 6 SER N N 15 115.6 . . 1 . . . . . . . . 4117 1 51 . 1 1 7 7 SER H H 1 8.99 . . 1 . . . . . . . . 4117 1 52 . 1 1 7 7 SER HA H 1 5.11 . . 1 . . . . . . . . 4117 1 53 . 1 1 7 7 SER HB2 H 1 3.58 . . 2 . . . . . . . . 4117 1 54 . 1 1 7 7 SER HB3 H 1 3.68 . . 2 . . . . . . . . 4117 1 55 . 1 1 7 7 SER C C 13 174.1 . . 1 . . . . . . . . 4117 1 56 . 1 1 7 7 SER CA C 13 55.6 . . 1 . . . . . . . . 4117 1 57 . 1 1 7 7 SER CB C 13 63.7 . . 1 . . . . . . . . 4117 1 58 . 1 1 7 7 SER N N 15 117.8 . . 1 . . . . . . . . 4117 1 59 . 1 1 8 8 ILE H H 1 9.07 . . 1 . . . . . . . . 4117 1 60 . 1 1 8 8 ILE HA H 1 5.11 . . 1 . . . . . . . . 4117 1 61 . 1 1 8 8 ILE HB H 1 1.74 . . 1 . . . . . . . . 4117 1 62 . 1 1 8 8 ILE HG12 H 1 1.22 . . 2 . . . . . . . . 4117 1 63 . 1 1 8 8 ILE HG13 H 1 0.62 . . 2 . . . . . . . . 4117 1 64 . 1 1 8 8 ILE HG21 H 1 0.81 . . 2 . . . . . . . . 4117 1 65 . 1 1 8 8 ILE HG22 H 1 0.81 . . 2 . . . . . . . . 4117 1 66 . 1 1 8 8 ILE HG23 H 1 0.81 . . 2 . . . . . . . . 4117 1 67 . 1 1 8 8 ILE HD11 H 1 0.50 . . 2 . . . . . . . . 4117 1 68 . 1 1 8 8 ILE HD12 H 1 0.50 . . 2 . . . . . . . . 4117 1 69 . 1 1 8 8 ILE HD13 H 1 0.50 . . 2 . . . . . . . . 4117 1 70 . 1 1 8 8 ILE C C 13 174.0 . . 1 . . . . . . . . 4117 1 71 . 1 1 8 8 ILE CA C 13 59.8 . . 1 . . . . . . . . 4117 1 72 . 1 1 8 8 ILE CB C 13 40.3 . . 1 . . . . . . . . 4117 1 73 . 1 1 8 8 ILE CG1 C 13 26.4 . . 1 . . . . . . . . 4117 1 74 . 1 1 8 8 ILE CG2 C 13 18.8 . . 1 . . . . . . . . 4117 1 75 . 1 1 8 8 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4117 1 76 . 1 1 8 8 ILE N N 15 127.8 . . 1 . . . . . . . . 4117 1 77 . 1 1 9 9 LEU H H 1 8.69 . . 1 . . . . . . . . 4117 1 78 . 1 1 9 9 LEU HA H 1 4.92 . . 1 . . . . . . . . 4117 1 79 . 1 1 9 9 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 4117 1 80 . 1 1 9 9 LEU HB3 H 1 1.30 . . 2 . . . . . . . . 4117 1 81 . 1 1 9 9 LEU HG H 1 1.24 . . 1 . . . . . . . . 4117 1 82 . 1 1 9 9 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 4117 1 83 . 1 1 9 9 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 4117 1 84 . 1 1 9 9 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 4117 1 85 . 1 1 9 9 LEU HD21 H 1 0.65 . . 2 . . . . . . . . 4117 1 86 . 1 1 9 9 LEU HD22 H 1 0.65 . . 2 . . . . . . . . 4117 1 87 . 1 1 9 9 LEU HD23 H 1 0.65 . . 2 . . . . . . . . 4117 1 88 . 1 1 9 9 LEU C C 13 175.1 . . 1 . . . . . . . . 4117 1 89 . 1 1 9 9 LEU CA C 13 53.0 . . 1 . . . . . . . . 4117 1 90 . 1 1 9 9 LEU CB C 13 44.9 . . 1 . . . . . . . . 4117 1 91 . 1 1 9 9 LEU CG C 13 26.4 . . 1 . . . . . . . . 4117 1 92 . 1 1 9 9 LEU CD1 C 13 23.5 . . 2 . . . . . . . . 4117 1 93 . 1 1 9 9 LEU CD2 C 13 24.8 . . 2 . . . . . . . . 4117 1 94 . 1 1 9 9 LEU N N 15 128.2 . . 1 . . . . . . . . 4117 1 95 . 1 1 10 10 LEU H H 1 9.31 . . 1 . . . . . . . . 4117 1 96 . 1 1 10 10 LEU HA H 1 5.01 . . 1 . . . . . . . . 4117 1 97 . 1 1 10 10 LEU HB2 H 1 1.15 . . 2 . . . . . . . . 4117 1 98 . 1 1 10 10 LEU HB3 H 1 2.01 . . 2 . . . . . . . . 4117 1 99 . 1 1 10 10 LEU HG H 1 0.82 . . 1 . . . . . . . . 4117 1 100 . 1 1 10 10 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4117 1 101 . 1 1 10 10 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4117 1 102 . 1 1 10 10 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4117 1 103 . 1 1 10 10 LEU HD21 H 1 1.76 . . 2 . . . . . . . . 4117 1 104 . 1 1 10 10 LEU HD22 H 1 1.76 . . 2 . . . . . . . . 4117 1 105 . 1 1 10 10 LEU HD23 H 1 1.76 . . 2 . . . . . . . . 4117 1 106 . 1 1 10 10 LEU C C 13 174.8 . . 1 . . . . . . . . 4117 1 107 . 1 1 10 10 LEU CA C 13 53.0 . . 1 . . . . . . . . 4117 1 108 . 1 1 10 10 LEU CB C 13 43.8 . . 1 . . . . . . . . 4117 1 109 . 1 1 10 10 LEU CG C 13 24.2 . . 1 . . . . . . . . 4117 1 110 . 1 1 10 10 LEU CD1 C 13 26.2 . . 1 . . . . . . . . 4117 1 111 . 1 1 10 10 LEU CD2 C 13 26.2 . . 1 . . . . . . . . 4117 1 112 . 1 1 10 10 LEU N N 15 126.4 . . 1 . . . . . . . . 4117 1 113 . 1 1 11 11 ASP H H 1 8.89 . . 1 . . . . . . . . 4117 1 114 . 1 1 11 11 ASP HA H 1 5.50 . . 1 . . . . . . . . 4117 1 115 . 1 1 11 11 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4117 1 116 . 1 1 11 11 ASP HB3 H 1 2.14 . . 2 . . . . . . . . 4117 1 117 . 1 1 11 11 ASP C C 13 176.0 . . 1 . . . . . . . . 4117 1 118 . 1 1 11 11 ASP CA C 13 52.2 . . 1 . . . . . . . . 4117 1 119 . 1 1 11 11 ASP CB C 13 43.2 . . 1 . . . . . . . . 4117 1 120 . 1 1 11 11 ASP N N 15 121.2 . . 1 . . . . . . . . 4117 1 121 . 1 1 12 12 VAL H H 1 9.73 . . 1 . . . . . . . . 4117 1 122 . 1 1 12 12 VAL HA H 1 4.44 . . 1 . . . . . . . . 4117 1 123 . 1 1 12 12 VAL HB H 1 2.08 . . 1 . . . . . . . . 4117 1 124 . 1 1 12 12 VAL HG11 H 1 0.78 . . 1 . . . . . . . . 4117 1 125 . 1 1 12 12 VAL HG12 H 1 0.78 . . 1 . . . . . . . . 4117 1 126 . 1 1 12 12 VAL HG13 H 1 0.78 . . 1 . . . . . . . . 4117 1 127 . 1 1 12 12 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 4117 1 128 . 1 1 12 12 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 4117 1 129 . 1 1 12 12 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 4117 1 130 . 1 1 12 12 VAL C C 13 174.5 . . 1 . . . . . . . . 4117 1 131 . 1 1 12 12 VAL CA C 13 61.7 . . 1 . . . . . . . . 4117 1 132 . 1 1 12 12 VAL CB C 13 32.5 . . 1 . . . . . . . . 4117 1 133 . 1 1 12 12 VAL CG1 C 13 24.2 . . 2 . . . . . . . . 4117 1 134 . 1 1 12 12 VAL CG2 C 13 20.2 . . 2 . . . . . . . . 4117 1 135 . 1 1 12 12 VAL N N 15 124.5 . . 1 . . . . . . . . 4117 1 136 . 1 1 13 13 LYS H H 1 8.56 . . 1 . . . . . . . . 4117 1 137 . 1 1 13 13 LYS HA H 1 4.76 . . 1 . . . . . . . . 4117 1 138 . 1 1 13 13 LYS HB2 H 1 1.76 . . 2 . . . . . . . . 4117 1 139 . 1 1 13 13 LYS HB3 H 1 1.61 . . 2 . . . . . . . . 4117 1 140 . 1 1 13 13 LYS HG2 H 1 1.20 . . 2 . . . . . . . . 4117 1 141 . 1 1 13 13 LYS HG3 H 1 1.29 . . 2 . . . . . . . . 4117 1 142 . 1 1 13 13 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4117 1 143 . 1 1 13 13 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4117 1 144 . 1 1 13 13 LYS HE2 H 1 2.72 . . 1 . . . . . . . . 4117 1 145 . 1 1 13 13 LYS HE3 H 1 2.72 . . 1 . . . . . . . . 4117 1 146 . 1 1 13 13 LYS C C 13 174.1 . . 1 . . . . . . . . 4117 1 147 . 1 1 13 13 LYS CA C 13 53.2 . . 1 . . . . . . . . 4117 1 148 . 1 1 13 13 LYS CB C 13 32.9 . . 1 . . . . . . . . 4117 1 149 . 1 1 13 13 LYS CG C 13 25.6 . . 1 . . . . . . . . 4117 1 150 . 1 1 13 13 LYS CD C 13 34.7 . . 1 . . . . . . . . 4117 1 151 . 1 1 13 13 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 152 . 1 1 13 13 LYS N N 15 127.6 . . 1 . . . . . . . . 4117 1 153 . 1 1 14 14 PRO HA H 1 5.42 . . 1 . . . . . . . . 4117 1 154 . 1 1 14 14 PRO HB2 H 1 2.17 . . 2 . . . . . . . . 4117 1 155 . 1 1 14 14 PRO HB3 H 1 2.46 . . 2 . . . . . . . . 4117 1 156 . 1 1 14 14 PRO HG2 H 1 1.75 . . 2 . . . . . . . . 4117 1 157 . 1 1 14 14 PRO HG3 H 1 2.60 . . 2 . . . . . . . . 4117 1 158 . 1 1 14 14 PRO HD2 H 1 3.57 . . 2 . . . . . . . . 4117 1 159 . 1 1 14 14 PRO HD3 H 1 3.73 . . 2 . . . . . . . . 4117 1 160 . 1 1 14 14 PRO C C 13 176.4 . . 1 . . . . . . . . 4117 1 161 . 1 1 14 14 PRO CA C 13 61.0 . . 1 . . . . . . . . 4117 1 162 . 1 1 14 14 PRO CB C 13 33.4 . . 1 . . . . . . . . 4117 1 163 . 1 1 14 14 PRO CG C 13 26.2 . . 1 . . . . . . . . 4117 1 164 . 1 1 14 14 PRO CD C 13 50.9 . . 1 . . . . . . . . 4117 1 165 . 1 1 15 15 TRP H H 1 6.71 . . 1 . . . . . . . . 4117 1 166 . 1 1 15 15 TRP HA H 1 4.22 . . 1 . . . . . . . . 4117 1 167 . 1 1 15 15 TRP HB2 H 1 2.76 . . 1 . . . . . . . . 4117 1 168 . 1 1 15 15 TRP HB3 H 1 3.27 . . 1 . . . . . . . . 4117 1 169 . 1 1 15 15 TRP HD1 H 1 6.78 . . 1 . . . . . . . . 4117 1 170 . 1 1 15 15 TRP HE1 H 1 9.42 . . 1 . . . . . . . . 4117 1 171 . 1 1 15 15 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 4117 1 172 . 1 1 15 15 TRP HZ2 H 1 7.54 . . 1 . . . . . . . . 4117 1 173 . 1 1 15 15 TRP HZ3 H 1 7.29 . . 1 . . . . . . . . 4117 1 174 . 1 1 15 15 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 4117 1 175 . 1 1 15 15 TRP C C 13 176.5 . . 1 . . . . . . . . 4117 1 176 . 1 1 15 15 TRP CA C 13 60.3 . . 1 . . . . . . . . 4117 1 177 . 1 1 15 15 TRP CB C 13 30.0 . . 1 . . . . . . . . 4117 1 178 . 1 1 15 15 TRP N N 15 116.4 . . 1 . . . . . . . . 4117 1 179 . 1 1 15 15 TRP NE1 N 15 129.1 . . 1 . . . . . . . . 4117 1 180 . 1 1 16 16 ASP H H 1 8.06 . . 1 . . . . . . . . 4117 1 181 . 1 1 16 16 ASP HA H 1 4.53 . . 1 . . . . . . . . 4117 1 182 . 1 1 16 16 ASP HB2 H 1 3.03 . . 1 . . . . . . . . 4117 1 183 . 1 1 16 16 ASP HB3 H 1 3.03 . . 1 . . . . . . . . 4117 1 184 . 1 1 16 16 ASP C C 13 175.4 . . 1 . . . . . . . . 4117 1 185 . 1 1 16 16 ASP CA C 13 53.5 . . 1 . . . . . . . . 4117 1 186 . 1 1 16 16 ASP CB C 13 40.9 . . 1 . . . . . . . . 4117 1 187 . 1 1 16 16 ASP N N 15 112.7 . . 1 . . . . . . . . 4117 1 188 . 1 1 17 17 ASP H H 1 8.77 . . 1 . . . . . . . . 4117 1 189 . 1 1 17 17 ASP HA H 1 4.30 . . 1 . . . . . . . . 4117 1 190 . 1 1 17 17 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 4117 1 191 . 1 1 17 17 ASP HB3 H 1 2.89 . . 2 . . . . . . . . 4117 1 192 . 1 1 17 17 ASP C C 13 176.1 . . 1 . . . . . . . . 4117 1 193 . 1 1 17 17 ASP CA C 13 54.9 . . 1 . . . . . . . . 4117 1 194 . 1 1 17 17 ASP CB C 13 39.5 . . 1 . . . . . . . . 4117 1 195 . 1 1 17 17 ASP N N 15 115.1 . . 1 . . . . . . . . 4117 1 196 . 1 1 18 18 GLU H H 1 8.70 . . 1 . . . . . . . . 4117 1 197 . 1 1 18 18 GLU HA H 1 4.38 . . 1 . . . . . . . . 4117 1 198 . 1 1 18 18 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4117 1 199 . 1 1 18 18 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4117 1 200 . 1 1 18 18 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4117 1 201 . 1 1 18 18 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 4117 1 202 . 1 1 18 18 GLU C C 13 177.2 . . 1 . . . . . . . . 4117 1 203 . 1 1 18 18 GLU CA C 13 55.4 . . 1 . . . . . . . . 4117 1 204 . 1 1 18 18 GLU CB C 13 30.0 . . 1 . . . . . . . . 4117 1 205 . 1 1 18 18 GLU CG C 13 36.4 . . 1 . . . . . . . . 4117 1 206 . 1 1 18 18 GLU N N 15 119.7 . . 1 . . . . . . . . 4117 1 207 . 1 1 19 19 THR H H 1 7.64 . . 1 . . . . . . . . 4117 1 208 . 1 1 19 19 THR HA H 1 4.07 . . 1 . . . . . . . . 4117 1 209 . 1 1 19 19 THR HB H 1 4.66 . . 1 . . . . . . . . 4117 1 210 . 1 1 19 19 THR HG1 H 1 5.62 . . 1 . . . . . . . . 4117 1 211 . 1 1 19 19 THR HG21 H 1 1.66 . . 1 . . . . . . . . 4117 1 212 . 1 1 19 19 THR HG22 H 1 1.66 . . 1 . . . . . . . . 4117 1 213 . 1 1 19 19 THR HG23 H 1 1.66 . . 1 . . . . . . . . 4117 1 214 . 1 1 19 19 THR C C 13 174.2 . . 1 . . . . . . . . 4117 1 215 . 1 1 19 19 THR CA C 13 64.5 . . 1 . . . . . . . . 4117 1 216 . 1 1 19 19 THR CB C 13 69.6 . . 1 . . . . . . . . 4117 1 217 . 1 1 19 19 THR CG2 C 13 23.3 . . 1 . . . . . . . . 4117 1 218 . 1 1 19 19 THR N N 15 119.9 . . 1 . . . . . . . . 4117 1 219 . 1 1 20 20 ASP H H 1 8.89 . . 1 . . . . . . . . 4117 1 220 . 1 1 20 20 ASP HA H 1 4.45 . . 1 . . . . . . . . 4117 1 221 . 1 1 20 20 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 4117 1 222 . 1 1 20 20 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4117 1 223 . 1 1 20 20 ASP C C 13 176.1 . . 1 . . . . . . . . 4117 1 224 . 1 1 20 20 ASP CA C 13 53.9 . . 1 . . . . . . . . 4117 1 225 . 1 1 20 20 ASP CB C 13 40.5 . . 1 . . . . . . . . 4117 1 226 . 1 1 20 20 ASP N N 15 126.8 . . 1 . . . . . . . . 4117 1 227 . 1 1 21 21 MET H H 1 8.70 . . 1 . . . . . . . . 4117 1 228 . 1 1 21 21 MET HA H 1 4.49 . . 1 . . . . . . . . 4117 1 229 . 1 1 21 21 MET HB2 H 1 2.02 . . 2 . . . . . . . . 4117 1 230 . 1 1 21 21 MET HB3 H 1 1.94 . . 2 . . . . . . . . 4117 1 231 . 1 1 21 21 MET HG2 H 1 2.63 . . 2 . . . . . . . . 4117 1 232 . 1 1 21 21 MET HG3 H 1 2.73 . . 2 . . . . . . . . 4117 1 233 . 1 1 21 21 MET HE1 H 1 1.81 . . 2 . . . . . . . . 4117 1 234 . 1 1 21 21 MET HE2 H 1 1.81 . . 2 . . . . . . . . 4117 1 235 . 1 1 21 21 MET HE3 H 1 1.81 . . 2 . . . . . . . . 4117 1 236 . 1 1 21 21 MET C C 13 180.3 . . 1 . . . . . . . . 4117 1 237 . 1 1 21 21 MET CA C 13 54.9 . . 1 . . . . . . . . 4117 1 238 . 1 1 21 21 MET CB C 13 28.9 . . 1 . . . . . . . . 4117 1 239 . 1 1 21 21 MET CG C 13 32.0 . . 1 . . . . . . . . 4117 1 240 . 1 1 21 21 MET CE C 13 16.3 . . 1 . . . . . . . . 4117 1 241 . 1 1 21 21 MET N N 15 125.7 . . 1 . . . . . . . . 4117 1 242 . 1 1 22 22 ALA H H 1 8.30 . . 1 . . . . . . . . 4117 1 243 . 1 1 22 22 ALA HA H 1 4.18 . . 1 . . . . . . . . 4117 1 244 . 1 1 22 22 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4117 1 245 . 1 1 22 22 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4117 1 246 . 1 1 22 22 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4117 1 247 . 1 1 22 22 ALA C C 13 180.6 . . 1 . . . . . . . . 4117 1 248 . 1 1 22 22 ALA CA C 13 54.6 . . 1 . . . . . . . . 4117 1 249 . 1 1 22 22 ALA CB C 13 17.1 . . 1 . . . . . . . . 4117 1 250 . 1 1 22 22 ALA N N 15 126.1 . . 1 . . . . . . . . 4117 1 251 . 1 1 23 23 LYS H H 1 7.54 . . 1 . . . . . . . . 4117 1 252 . 1 1 23 23 LYS HA H 1 3.79 . . 1 . . . . . . . . 4117 1 253 . 1 1 23 23 LYS HB2 H 1 1.44 . . 2 . . . . . . . . 4117 1 254 . 1 1 23 23 LYS HB3 H 1 1.30 . . 2 . . . . . . . . 4117 1 255 . 1 1 23 23 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 4117 1 256 . 1 1 23 23 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 4117 1 257 . 1 1 23 23 LYS HD2 H 1 1.03 . . 2 . . . . . . . . 4117 1 258 . 1 1 23 23 LYS HD3 H 1 1.18 . . 2 . . . . . . . . 4117 1 259 . 1 1 23 23 LYS HE2 H 1 2.82 . . 1 . . . . . . . . 4117 1 260 . 1 1 23 23 LYS HE3 H 1 2.82 . . 1 . . . . . . . . 4117 1 261 . 1 1 23 23 LYS C C 13 178.4 . . 1 . . . . . . . . 4117 1 262 . 1 1 23 23 LYS CA C 13 57.4 . . 1 . . . . . . . . 4117 1 263 . 1 1 23 23 LYS CB C 13 31.2 . . 1 . . . . . . . . 4117 1 264 . 1 1 23 23 LYS CG C 13 27.9 . . 1 . . . . . . . . 4117 1 265 . 1 1 23 23 LYS CD C 13 24.6 . . 1 . . . . . . . . 4117 1 266 . 1 1 23 23 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 267 . 1 1 23 23 LYS N N 15 120.7 . . 1 . . . . . . . . 4117 1 268 . 1 1 24 24 LEU H H 1 7.88 . . 1 . . . . . . . . 4117 1 269 . 1 1 24 24 LEU HA H 1 3.22 . . 1 . . . . . . . . 4117 1 270 . 1 1 24 24 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4117 1 271 . 1 1 24 24 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 4117 1 272 . 1 1 24 24 LEU HG H 1 1.29 . . 1 . . . . . . . . 4117 1 273 . 1 1 24 24 LEU HD11 H 1 0.62 . . 2 . . . . . . . . 4117 1 274 . 1 1 24 24 LEU HD12 H 1 0.62 . . 2 . . . . . . . . 4117 1 275 . 1 1 24 24 LEU HD13 H 1 0.62 . . 2 . . . . . . . . 4117 1 276 . 1 1 24 24 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4117 1 277 . 1 1 24 24 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4117 1 278 . 1 1 24 24 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4117 1 279 . 1 1 24 24 LEU C C 13 177.6 . . 1 . . . . . . . . 4117 1 280 . 1 1 24 24 LEU CA C 13 60.0 . . 1 . . . . . . . . 4117 1 281 . 1 1 24 24 LEU CB C 13 42.2 . . 1 . . . . . . . . 4117 1 282 . 1 1 24 24 LEU CG C 13 27.3 . . 1 . . . . . . . . 4117 1 283 . 1 1 24 24 LEU CD1 C 13 25.7 . . 2 . . . . . . . . 4117 1 284 . 1 1 24 24 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4117 1 285 . 1 1 24 24 LEU N N 15 120.6 . . 1 . . . . . . . . 4117 1 286 . 1 1 25 25 GLU H H 1 7.71 . . 1 . . . . . . . . 4117 1 287 . 1 1 25 25 GLU HA H 1 3.23 . . 1 . . . . . . . . 4117 1 288 . 1 1 25 25 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 4117 1 289 . 1 1 25 25 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4117 1 290 . 1 1 25 25 GLU HG2 H 1 1.78 . . 2 . . . . . . . . 4117 1 291 . 1 1 25 25 GLU HG3 H 1 2.06 . . 2 . . . . . . . . 4117 1 292 . 1 1 25 25 GLU C C 13 176.5 . . 1 . . . . . . . . 4117 1 293 . 1 1 25 25 GLU CA C 13 59.6 . . 1 . . . . . . . . 4117 1 294 . 1 1 25 25 GLU CB C 13 28.1 . . 1 . . . . . . . . 4117 1 295 . 1 1 25 25 GLU CG C 13 35.3 . . 1 . . . . . . . . 4117 1 296 . 1 1 25 25 GLU N N 15 118.7 . . 1 . . . . . . . . 4117 1 297 . 1 1 26 26 GLU H H 1 7.76 . . 1 . . . . . . . . 4117 1 298 . 1 1 26 26 GLU HA H 1 3.61 . . 1 . . . . . . . . 4117 1 299 . 1 1 26 26 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 4117 1 300 . 1 1 26 26 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4117 1 301 . 1 1 26 26 GLU HG2 H 1 1.94 . . 2 . . . . . . . . 4117 1 302 . 1 1 26 26 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4117 1 303 . 1 1 26 26 GLU C C 13 179.3 . . 1 . . . . . . . . 4117 1 304 . 1 1 26 26 GLU CA C 13 59.0 . . 1 . . . . . . . . 4117 1 305 . 1 1 26 26 GLU CB C 13 29.1 . . 1 . . . . . . . . 4117 1 306 . 1 1 26 26 GLU CG C 13 35.8 . . 1 . . . . . . . . 4117 1 307 . 1 1 26 26 GLU N N 15 119.3 . . 1 . . . . . . . . 4117 1 308 . 1 1 27 27 CYS H H 1 7.73 . . 1 . . . . . . . . 4117 1 309 . 1 1 27 27 CYS HA H 1 3.34 . . 1 . . . . . . . . 4117 1 310 . 1 1 27 27 CYS HB2 H 1 0.42 . . 2 . . . . . . . . 4117 1 311 . 1 1 27 27 CYS HB3 H 1 2.39 . . 2 . . . . . . . . 4117 1 312 . 1 1 27 27 CYS C C 13 177.3 . . 1 . . . . . . . . 4117 1 313 . 1 1 27 27 CYS CA C 13 63.3 . . 1 . . . . . . . . 4117 1 314 . 1 1 27 27 CYS CB C 13 23.8 . . 1 . . . . . . . . 4117 1 315 . 1 1 27 27 CYS N N 15 116.6 . . 1 . . . . . . . . 4117 1 316 . 1 1 28 28 VAL H H 1 7.42 . . 1 . . . . . . . . 4117 1 317 . 1 1 28 28 VAL HA H 1 3.08 . . 1 . . . . . . . . 4117 1 318 . 1 1 28 28 VAL HB H 1 1.50 . . 1 . . . . . . . . 4117 1 319 . 1 1 28 28 VAL HG11 H 1 -0.03 . . 2 . . . . . . . . 4117 1 320 . 1 1 28 28 VAL HG12 H 1 -0.03 . . 2 . . . . . . . . 4117 1 321 . 1 1 28 28 VAL HG13 H 1 -0.03 . . 2 . . . . . . . . 4117 1 322 . 1 1 28 28 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4117 1 323 . 1 1 28 28 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4117 1 324 . 1 1 28 28 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4117 1 325 . 1 1 28 28 VAL C C 13 175.5 . . 1 . . . . . . . . 4117 1 326 . 1 1 28 28 VAL CA C 13 67.0 . . 1 . . . . . . . . 4117 1 327 . 1 1 28 28 VAL CB C 13 30.8 . . 1 . . . . . . . . 4117 1 328 . 1 1 28 28 VAL CG1 C 13 21.3 . . 2 . . . . . . . . 4117 1 329 . 1 1 28 28 VAL CG2 C 13 22.7 . . 2 . . . . . . . . 4117 1 330 . 1 1 28 28 VAL N N 15 120.8 . . 1 . . . . . . . . 4117 1 331 . 1 1 29 29 ARG H H 1 7.70 . . 1 . . . . . . . . 4117 1 332 . 1 1 29 29 ARG HA H 1 2.62 . . 1 . . . . . . . . 4117 1 333 . 1 1 29 29 ARG HB2 H 1 1.24 . . 2 . . . . . . . . 4117 1 334 . 1 1 29 29 ARG HB3 H 1 1.51 . . 2 . . . . . . . . 4117 1 335 . 1 1 29 29 ARG HG2 H 1 0.88 . . 2 . . . . . . . . 4117 1 336 . 1 1 29 29 ARG HG3 H 1 1.11 . . 2 . . . . . . . . 4117 1 337 . 1 1 29 29 ARG HE H 1 9.08 . . 1 . . . . . . . . 4117 1 338 . 1 1 29 29 ARG C C 13 176.3 . . 1 . . . . . . . . 4117 1 339 . 1 1 29 29 ARG CA C 13 57.5 . . 1 . . . . . . . . 4117 1 340 . 1 1 29 29 ARG CB C 13 28.9 . . 1 . . . . . . . . 4117 1 341 . 1 1 29 29 ARG CG C 13 29.1 . . 1 . . . . . . . . 4117 1 342 . 1 1 29 29 ARG N N 15 111.8 . . 1 . . . . . . . . 4117 1 343 . 1 1 29 29 ARG NE N 15 86.7 . . 1 . . . . . . . . 4117 1 344 . 1 1 30 30 SER H H 1 7.41 . . 1 . . . . . . . . 4117 1 345 . 1 1 30 30 SER HA H 1 4.26 . . 1 . . . . . . . . 4117 1 346 . 1 1 30 30 SER HB2 H 1 3.96 . . 2 . . . . . . . . 4117 1 347 . 1 1 30 30 SER HB3 H 1 4.01 . . 2 . . . . . . . . 4117 1 348 . 1 1 30 30 SER HG H 1 6.58 . . 1 . . . . . . . . 4117 1 349 . 1 1 30 30 SER C C 13 174.9 . . 1 . . . . . . . . 4117 1 350 . 1 1 30 30 SER CA C 13 59.2 . . 1 . . . . . . . . 4117 1 351 . 1 1 30 30 SER CB C 13 62.9 . . 1 . . . . . . . . 4117 1 352 . 1 1 30 30 SER N N 15 114.1 . . 1 . . . . . . . . 4117 1 353 . 1 1 31 31 ILE H H 1 7.64 . . 1 . . . . . . . . 4117 1 354 . 1 1 31 31 ILE HA H 1 3.95 . . 1 . . . . . . . . 4117 1 355 . 1 1 31 31 ILE HB H 1 2.44 . . 1 . . . . . . . . 4117 1 356 . 1 1 31 31 ILE HG12 H 1 2.11 . . 2 . . . . . . . . 4117 1 357 . 1 1 31 31 ILE HG13 H 1 1.28 . . 2 . . . . . . . . 4117 1 358 . 1 1 31 31 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4117 1 359 . 1 1 31 31 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4117 1 360 . 1 1 31 31 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4117 1 361 . 1 1 31 31 ILE HD11 H 1 1.14 . . 1 . . . . . . . . 4117 1 362 . 1 1 31 31 ILE HD12 H 1 1.14 . . 1 . . . . . . . . 4117 1 363 . 1 1 31 31 ILE HD13 H 1 1.14 . . 1 . . . . . . . . 4117 1 364 . 1 1 31 31 ILE C C 13 175.5 . . 1 . . . . . . . . 4117 1 365 . 1 1 31 31 ILE CA C 13 62.8 . . 1 . . . . . . . . 4117 1 366 . 1 1 31 31 ILE CB C 13 37.2 . . 1 . . . . . . . . 4117 1 367 . 1 1 31 31 ILE CG1 C 13 27.7 . . 1 . . . . . . . . 4117 1 368 . 1 1 31 31 ILE CG2 C 13 15.5 . . 1 . . . . . . . . 4117 1 369 . 1 1 31 31 ILE CD1 C 13 15.7 . . 1 . . . . . . . . 4117 1 370 . 1 1 31 31 ILE N N 15 125.7 . . 1 . . . . . . . . 4117 1 371 . 1 1 32 32 GLN H H 1 8.48 . . 1 . . . . . . . . 4117 1 372 . 1 1 32 32 GLN HA H 1 4.86 . . 1 . . . . . . . . 4117 1 373 . 1 1 32 32 GLN HB2 H 1 1.91 . . 2 . . . . . . . . 4117 1 374 . 1 1 32 32 GLN HB3 H 1 2.05 . . 2 . . . . . . . . 4117 1 375 . 1 1 32 32 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4117 1 376 . 1 1 32 32 GLN HG3 H 1 2.42 . . 2 . . . . . . . . 4117 1 377 . 1 1 32 32 GLN HE21 H 1 6.61 . . 2 . . . . . . . . 4117 1 378 . 1 1 32 32 GLN HE22 H 1 7.13 . . 2 . . . . . . . . 4117 1 379 . 1 1 32 32 GLN C C 13 174.7 . . 1 . . . . . . . . 4117 1 380 . 1 1 32 32 GLN CA C 13 53.5 . . 1 . . . . . . . . 4117 1 381 . 1 1 32 32 GLN CB C 13 31.2 . . 1 . . . . . . . . 4117 1 382 . 1 1 32 32 GLN CG C 13 33.5 . . 1 . . . . . . . . 4117 1 383 . 1 1 32 32 GLN N N 15 128.0 . . 1 . . . . . . . . 4117 1 384 . 1 1 32 32 GLN NE2 N 15 110.4 . . 1 . . . . . . . . 4117 1 385 . 1 1 33 33 ALA H H 1 8.67 . . 1 . . . . . . . . 4117 1 386 . 1 1 33 33 ALA HA H 1 4.35 . . 1 . . . . . . . . 4117 1 387 . 1 1 33 33 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 4117 1 388 . 1 1 33 33 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 4117 1 389 . 1 1 33 33 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 4117 1 390 . 1 1 33 33 ALA C C 13 175.8 . . 1 . . . . . . . . 4117 1 391 . 1 1 33 33 ALA CA C 13 51.3 . . 1 . . . . . . . . 4117 1 392 . 1 1 33 33 ALA CB C 13 21.1 . . 1 . . . . . . . . 4117 1 393 . 1 1 33 33 ALA N N 15 125.1 . . 1 . . . . . . . . 4117 1 394 . 1 1 34 34 ASP H H 1 8.39 . . 1 . . . . . . . . 4117 1 395 . 1 1 34 34 ASP HA H 1 4.32 . . 1 . . . . . . . . 4117 1 396 . 1 1 34 34 ASP HB2 H 1 2.48 . . 2 . . . . . . . . 4117 1 397 . 1 1 34 34 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4117 1 398 . 1 1 34 34 ASP C C 13 176.3 . . 1 . . . . . . . . 4117 1 399 . 1 1 34 34 ASP CA C 13 55.2 . . 1 . . . . . . . . 4117 1 400 . 1 1 34 34 ASP CB C 13 39.9 . . 1 . . . . . . . . 4117 1 401 . 1 1 34 34 ASP N N 15 121.8 . . 1 . . . . . . . . 4117 1 402 . 1 1 35 35 GLY H H 1 8.40 . . 1 . . . . . . . . 4117 1 403 . 1 1 35 35 GLY HA2 H 1 3.54 . . 2 . . . . . . . . 4117 1 404 . 1 1 35 35 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4117 1 405 . 1 1 35 35 GLY C C 13 172.3 . . 1 . . . . . . . . 4117 1 406 . 1 1 35 35 GLY CA C 13 45.1 . . 1 . . . . . . . . 4117 1 407 . 1 1 35 35 GLY N N 15 111.4 . . 1 . . . . . . . . 4117 1 408 . 1 1 36 36 LEU H H 1 7.55 . . 1 . . . . . . . . 4117 1 409 . 1 1 36 36 LEU HA H 1 4.80 . . 1 . . . . . . . . 4117 1 410 . 1 1 36 36 LEU HB2 H 1 1.85 . . 1 . . . . . . . . 4117 1 411 . 1 1 36 36 LEU HB3 H 1 0.88 . . 1 . . . . . . . . 4117 1 412 . 1 1 36 36 LEU HG H 1 0.57 . . 1 . . . . . . . . 4117 1 413 . 1 1 36 36 LEU HD11 H 1 0.31 . . 2 . . . . . . . . 4117 1 414 . 1 1 36 36 LEU HD12 H 1 0.31 . . 2 . . . . . . . . 4117 1 415 . 1 1 36 36 LEU HD13 H 1 0.31 . . 2 . . . . . . . . 4117 1 416 . 1 1 36 36 LEU HD21 H 1 -0.14 . . 2 . . . . . . . . 4117 1 417 . 1 1 36 36 LEU HD22 H 1 -0.14 . . 2 . . . . . . . . 4117 1 418 . 1 1 36 36 LEU HD23 H 1 -0.14 . . 2 . . . . . . . . 4117 1 419 . 1 1 36 36 LEU C C 13 175.3 . . 1 . . . . . . . . 4117 1 420 . 1 1 36 36 LEU CA C 13 53.5 . . 1 . . . . . . . . 4117 1 421 . 1 1 36 36 LEU CB C 13 44.9 . . 1 . . . . . . . . 4117 1 422 . 1 1 36 36 LEU CG C 13 27.8 . . 1 . . . . . . . . 4117 1 423 . 1 1 36 36 LEU CD1 C 13 25.4 . . 2 . . . . . . . . 4117 1 424 . 1 1 36 36 LEU CD2 C 13 23.8 . . 2 . . . . . . . . 4117 1 425 . 1 1 36 36 LEU N N 15 120.5 . . 1 . . . . . . . . 4117 1 426 . 1 1 37 37 VAL H H 1 8.39 . . 1 . . . . . . . . 4117 1 427 . 1 1 37 37 VAL HA H 1 4.29 . . 1 . . . . . . . . 4117 1 428 . 1 1 37 37 VAL HB H 1 1.82 . . 1 . . . . . . . . 4117 1 429 . 1 1 37 37 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4117 1 430 . 1 1 37 37 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4117 1 431 . 1 1 37 37 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4117 1 432 . 1 1 37 37 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4117 1 433 . 1 1 37 37 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4117 1 434 . 1 1 37 37 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4117 1 435 . 1 1 37 37 VAL C C 13 175.6 . . 1 . . . . . . . . 4117 1 436 . 1 1 37 37 VAL CA C 13 60.8 . . 1 . . . . . . . . 4117 1 437 . 1 1 37 37 VAL CB C 13 34.7 . . 1 . . . . . . . . 4117 1 438 . 1 1 37 37 VAL CG1 C 13 18.5 . . 2 . . . . . . . . 4117 1 439 . 1 1 37 37 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 4117 1 440 . 1 1 37 37 VAL N N 15 126.8 . . 1 . . . . . . . . 4117 1 441 . 1 1 38 38 TRP H H 1 8.77 . . 1 . . . . . . . . 4117 1 442 . 1 1 38 38 TRP HA H 1 4.70 . . 1 . . . . . . . . 4117 1 443 . 1 1 38 38 TRP HB2 H 1 3.21 . . 2 . . . . . . . . 4117 1 444 . 1 1 38 38 TRP HB3 H 1 3.34 . . 2 . . . . . . . . 4117 1 445 . 1 1 38 38 TRP HD1 H 1 7.38 . . 1 . . . . . . . . 4117 1 446 . 1 1 38 38 TRP HE1 H 1 10.15 . . 1 . . . . . . . . 4117 1 447 . 1 1 38 38 TRP HE3 H 1 7.52 . . 1 . . . . . . . . 4117 1 448 . 1 1 38 38 TRP HZ2 H 1 7.12 . . 1 . . . . . . . . 4117 1 449 . 1 1 38 38 TRP HZ3 H 1 6.59 . . 1 . . . . . . . . 4117 1 450 . 1 1 38 38 TRP HH2 H 1 6.69 . . 1 . . . . . . . . 4117 1 451 . 1 1 38 38 TRP C C 13 177.1 . . 1 . . . . . . . . 4117 1 452 . 1 1 38 38 TRP CA C 13 57.9 . . 1 . . . . . . . . 4117 1 453 . 1 1 38 38 TRP CB C 13 30.8 . . 1 . . . . . . . . 4117 1 454 . 1 1 38 38 TRP N N 15 128.2 . . 1 . . . . . . . . 4117 1 455 . 1 1 38 38 TRP NE1 N 15 129.1 . . 1 . . . . . . . . 4117 1 456 . 1 1 39 39 GLY H H 1 9.24 . . 1 . . . . . . . . 4117 1 457 . 1 1 39 39 GLY HA2 H 1 4.58 . . 2 . . . . . . . . 4117 1 458 . 1 1 39 39 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4117 1 459 . 1 1 39 39 GLY C C 13 173.9 . . 1 . . . . . . . . 4117 1 460 . 1 1 39 39 GLY CA C 13 43.6 . . 1 . . . . . . . . 4117 1 461 . 1 1 39 39 GLY N N 15 113.7 . . 1 . . . . . . . . 4117 1 462 . 1 1 40 40 SER H H 1 8.45 . . 1 . . . . . . . . 4117 1 463 . 1 1 40 40 SER HA H 1 4.47 . . 1 . . . . . . . . 4117 1 464 . 1 1 40 40 SER HB2 H 1 3.88 . . 1 . . . . . . . . 4117 1 465 . 1 1 40 40 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4117 1 466 . 1 1 40 40 SER C C 13 172.7 . . 1 . . . . . . . . 4117 1 467 . 1 1 40 40 SER CA C 13 58.1 . . 1 . . . . . . . . 4117 1 468 . 1 1 40 40 SER CB C 13 64.2 . . 1 . . . . . . . . 4117 1 469 . 1 1 40 40 SER N N 15 119.5 . . 1 . . . . . . . . 4117 1 470 . 1 1 41 41 SER H H 1 8.59 . . 1 . . . . . . . . 4117 1 471 . 1 1 41 41 SER HA H 1 5.49 . . 1 . . . . . . . . 4117 1 472 . 1 1 41 41 SER HB2 H 1 3.76 . . 2 . . . . . . . . 4117 1 473 . 1 1 41 41 SER HB3 H 1 3.43 . . 2 . . . . . . . . 4117 1 474 . 1 1 41 41 SER C C 13 173.4 . . 1 . . . . . . . . 4117 1 475 . 1 1 41 41 SER CA C 13 55.9 . . 1 . . . . . . . . 4117 1 476 . 1 1 41 41 SER CB C 13 66.8 . . 1 . . . . . . . . 4117 1 477 . 1 1 41 41 SER N N 15 113.3 . . 1 . . . . . . . . 4117 1 478 . 1 1 42 42 LYS H H 1 8.75 . . 1 . . . . . . . . 4117 1 479 . 1 1 42 42 LYS HA H 1 4.51 . . 1 . . . . . . . . 4117 1 480 . 1 1 42 42 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4117 1 481 . 1 1 42 42 LYS HB3 H 1 1.66 . . 2 . . . . . . . . 4117 1 482 . 1 1 42 42 LYS HG2 H 1 1.19 . . 2 . . . . . . . . 4117 1 483 . 1 1 42 42 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4117 1 484 . 1 1 42 42 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4117 1 485 . 1 1 42 42 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4117 1 486 . 1 1 42 42 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4117 1 487 . 1 1 42 42 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4117 1 488 . 1 1 42 42 LYS C C 13 174.0 . . 1 . . . . . . . . 4117 1 489 . 1 1 42 42 LYS CA C 13 54.9 . . 1 . . . . . . . . 4117 1 490 . 1 1 42 42 LYS CB C 13 35.8 . . 1 . . . . . . . . 4117 1 491 . 1 1 42 42 LYS CG C 13 23.3 . . 1 . . . . . . . . 4117 1 492 . 1 1 42 42 LYS CD C 13 28.9 . . 1 . . . . . . . . 4117 1 493 . 1 1 42 42 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 494 . 1 1 42 42 LYS N N 15 116.8 . . 1 . . . . . . . . 4117 1 495 . 1 1 43 43 LEU H H 1 8.43 . . 1 . . . . . . . . 4117 1 496 . 1 1 43 43 LEU HA H 1 5.28 . . 1 . . . . . . . . 4117 1 497 . 1 1 43 43 LEU HB2 H 1 1.02 . . 2 . . . . . . . . 4117 1 498 . 1 1 43 43 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4117 1 499 . 1 1 43 43 LEU HG H 1 1.62 . . 1 . . . . . . . . 4117 1 500 . 1 1 43 43 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 4117 1 501 . 1 1 43 43 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 4117 1 502 . 1 1 43 43 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 4117 1 503 . 1 1 43 43 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4117 1 504 . 1 1 43 43 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4117 1 505 . 1 1 43 43 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4117 1 506 . 1 1 43 43 LEU C C 13 177.3 . . 1 . . . . . . . . 4117 1 507 . 1 1 43 43 LEU CA C 13 53.0 . . 1 . . . . . . . . 4117 1 508 . 1 1 43 43 LEU CB C 13 42.6 . . 1 . . . . . . . . 4117 1 509 . 1 1 43 43 LEU CG C 13 26.4 . . 1 . . . . . . . . 4117 1 510 . 1 1 43 43 LEU CD1 C 13 23.8 . . 2 . . . . . . . . 4117 1 511 . 1 1 43 43 LEU CD2 C 13 25.2 . . 2 . . . . . . . . 4117 1 512 . 1 1 43 43 LEU N N 15 120.8 . . 1 . . . . . . . . 4117 1 513 . 1 1 44 44 VAL H H 1 8.90 . . 1 . . . . . . . . 4117 1 514 . 1 1 44 44 VAL HA H 1 4.57 . . 1 . . . . . . . . 4117 1 515 . 1 1 44 44 VAL HB H 1 1.71 . . 1 . . . . . . . . 4117 1 516 . 1 1 44 44 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 4117 1 517 . 1 1 44 44 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 4117 1 518 . 1 1 44 44 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 4117 1 519 . 1 1 44 44 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4117 1 520 . 1 1 44 44 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4117 1 521 . 1 1 44 44 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4117 1 522 . 1 1 44 44 VAL C C 13 173.8 . . 1 . . . . . . . . 4117 1 523 . 1 1 44 44 VAL CA C 13 58.6 . . 1 . . . . . . . . 4117 1 524 . 1 1 44 44 VAL CB C 13 35.0 . . 1 . . . . . . . . 4117 1 525 . 1 1 44 44 VAL CG1 C 13 19.8 . . 2 . . . . . . . . 4117 1 526 . 1 1 44 44 VAL CG2 C 13 20.5 . . 2 . . . . . . . . 4117 1 527 . 1 1 44 44 VAL N N 15 123.9 . . 1 . . . . . . . . 4117 1 528 . 1 1 45 45 PRO HA H 1 4.55 . . 1 . . . . . . . . 4117 1 529 . 1 1 45 45 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 4117 1 530 . 1 1 45 45 PRO HB3 H 1 2.30 . . 2 . . . . . . . . 4117 1 531 . 1 1 45 45 PRO HG2 H 1 1.85 . . 2 . . . . . . . . 4117 1 532 . 1 1 45 45 PRO HG3 H 1 2.15 . . 2 . . . . . . . . 4117 1 533 . 1 1 45 45 PRO HD2 H 1 3.76 . . 2 . . . . . . . . 4117 1 534 . 1 1 45 45 PRO HD3 H 1 3.81 . . 2 . . . . . . . . 4117 1 535 . 1 1 45 45 PRO C C 13 176.9 . . 1 . . . . . . . . 4117 1 536 . 1 1 45 45 PRO CA C 13 63.3 . . 1 . . . . . . . . 4117 1 537 . 1 1 45 45 PRO CB C 13 32.0 . . 1 . . . . . . . . 4117 1 538 . 1 1 45 45 PRO CG C 13 27.3 . . 1 . . . . . . . . 4117 1 539 . 1 1 45 45 PRO CD C 13 51.1 . . 1 . . . . . . . . 4117 1 540 . 1 1 46 46 VAL H H 1 8.49 . . 1 . . . . . . . . 4117 1 541 . 1 1 46 46 VAL HA H 1 4.36 . . 1 . . . . . . . . 4117 1 542 . 1 1 46 46 VAL HB H 1 2.13 . . 1 . . . . . . . . 4117 1 543 . 1 1 46 46 VAL HG11 H 1 0.74 . . 2 . . . . . . . . 4117 1 544 . 1 1 46 46 VAL HG12 H 1 0.74 . . 2 . . . . . . . . 4117 1 545 . 1 1 46 46 VAL HG13 H 1 0.74 . . 2 . . . . . . . . 4117 1 546 . 1 1 46 46 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4117 1 547 . 1 1 46 46 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4117 1 548 . 1 1 46 46 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4117 1 549 . 1 1 46 46 VAL C C 13 175.5 . . 1 . . . . . . . . 4117 1 550 . 1 1 46 46 VAL CA C 13 60.8 . . 1 . . . . . . . . 4117 1 551 . 1 1 46 46 VAL CB C 13 32.5 . . 1 . . . . . . . . 4117 1 552 . 1 1 46 46 VAL CG1 C 13 19.8 . . 2 . . . . . . . . 4117 1 553 . 1 1 46 46 VAL CG2 C 13 21.0 . . 2 . . . . . . . . 4117 1 554 . 1 1 46 46 VAL N N 15 118.1 . . 1 . . . . . . . . 4117 1 555 . 1 1 47 47 GLY H H 1 7.67 . . 1 . . . . . . . . 4117 1 556 . 1 1 47 47 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4117 1 557 . 1 1 47 47 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4117 1 558 . 1 1 47 47 GLY CA C 13 44.9 . . 1 . . . . . . . . 4117 1 559 . 1 1 47 47 GLY N N 15 109.7 . . 1 . . . . . . . . 4117 1 560 . 1 1 48 48 TYR HA H 1 4.18 . . 1 . . . . . . . . 4117 1 561 . 1 1 48 48 TYR HB2 H 1 3.15 . . 1 . . . . . . . . 4117 1 562 . 1 1 48 48 TYR HB3 H 1 3.01 . . 1 . . . . . . . . 4117 1 563 . 1 1 48 48 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 4117 1 564 . 1 1 48 48 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 4117 1 565 . 1 1 48 48 TYR HE1 H 1 6.80 . . 1 . . . . . . . . 4117 1 566 . 1 1 48 48 TYR HE2 H 1 6.80 . . 1 . . . . . . . . 4117 1 567 . 1 1 48 48 TYR C C 13 175.9 . . 1 . . . . . . . . 4117 1 568 . 1 1 48 48 TYR CA C 13 59.0 . . 1 . . . . . . . . 4117 1 569 . 1 1 48 48 TYR CB C 13 35.4 . . 1 . . . . . . . . 4117 1 570 . 1 1 49 49 GLY H H 1 8.28 . . 1 . . . . . . . . 4117 1 571 . 1 1 49 49 GLY HA2 H 1 4.07 . . 1 . . . . . . . . 4117 1 572 . 1 1 49 49 GLY HA3 H 1 3.57 . . 1 . . . . . . . . 4117 1 573 . 1 1 49 49 GLY C C 13 173.7 . . 1 . . . . . . . . 4117 1 574 . 1 1 49 49 GLY CA C 13 45.3 . . 1 . . . . . . . . 4117 1 575 . 1 1 49 49 GLY N N 15 107.7 . . 1 . . . . . . . . 4117 1 576 . 1 1 50 50 ILE H H 1 7.62 . . 1 . . . . . . . . 4117 1 577 . 1 1 50 50 ILE HA H 1 4.11 . . 1 . . . . . . . . 4117 1 578 . 1 1 50 50 ILE HB H 1 1.80 . . 1 . . . . . . . . 4117 1 579 . 1 1 50 50 ILE HG12 H 1 0.87 . . 2 . . . . . . . . 4117 1 580 . 1 1 50 50 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 4117 1 581 . 1 1 50 50 ILE HG21 H 1 0.66 . . 1 . . . . . . . . 4117 1 582 . 1 1 50 50 ILE HG22 H 1 0.66 . . 1 . . . . . . . . 4117 1 583 . 1 1 50 50 ILE HG23 H 1 0.66 . . 1 . . . . . . . . 4117 1 584 . 1 1 50 50 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4117 1 585 . 1 1 50 50 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4117 1 586 . 1 1 50 50 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4117 1 587 . 1 1 50 50 ILE C C 13 175.4 . . 1 . . . . . . . . 4117 1 588 . 1 1 50 50 ILE CA C 13 60.4 . . 1 . . . . . . . . 4117 1 589 . 1 1 50 50 ILE CB C 13 38.8 . . 1 . . . . . . . . 4117 1 590 . 1 1 50 50 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 4117 1 591 . 1 1 50 50 ILE CG2 C 13 17.1 . . 1 . . . . . . . . 4117 1 592 . 1 1 50 50 ILE CD1 C 13 12.4 . . 1 . . . . . . . . 4117 1 593 . 1 1 50 50 ILE N N 15 119.5 . . 1 . . . . . . . . 4117 1 594 . 1 1 51 51 LYS H H 1 8.76 . . 1 . . . . . . . . 4117 1 595 . 1 1 51 51 LYS HA H 1 4.93 . . 1 . . . . . . . . 4117 1 596 . 1 1 51 51 LYS HB2 H 1 1.51 . . 1 . . . . . . . . 4117 1 597 . 1 1 51 51 LYS HB3 H 1 1.51 . . 1 . . . . . . . . 4117 1 598 . 1 1 51 51 LYS HG2 H 1 1.11 . . 2 . . . . . . . . 4117 1 599 . 1 1 51 51 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4117 1 600 . 1 1 51 51 LYS HD2 H 1 1.51 . . 1 . . . . . . . . 4117 1 601 . 1 1 51 51 LYS HD3 H 1 1.51 . . 1 . . . . . . . . 4117 1 602 . 1 1 51 51 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4117 1 603 . 1 1 51 51 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4117 1 604 . 1 1 51 51 LYS C C 13 174.4 . . 1 . . . . . . . . 4117 1 605 . 1 1 51 51 LYS CA C 13 54.4 . . 1 . . . . . . . . 4117 1 606 . 1 1 51 51 LYS CB C 13 34.9 . . 1 . . . . . . . . 4117 1 607 . 1 1 51 51 LYS CG C 13 25.0 . . 1 . . . . . . . . 4117 1 608 . 1 1 51 51 LYS CD C 13 29.6 . . 1 . . . . . . . . 4117 1 609 . 1 1 51 51 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 610 . 1 1 51 51 LYS N N 15 126.4 . . 1 . . . . . . . . 4117 1 611 . 1 1 52 52 LYS H H 1 8.65 . . 1 . . . . . . . . 4117 1 612 . 1 1 52 52 LYS HA H 1 4.78 . . 1 . . . . . . . . 4117 1 613 . 1 1 52 52 LYS HB2 H 1 1.51 . . 2 . . . . . . . . 4117 1 614 . 1 1 52 52 LYS HB3 H 1 1.35 . . 2 . . . . . . . . 4117 1 615 . 1 1 52 52 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4117 1 616 . 1 1 52 52 LYS HG3 H 1 0.88 . . 2 . . . . . . . . 4117 1 617 . 1 1 52 52 LYS HD2 H 1 1.33 . . 1 . . . . . . . . 4117 1 618 . 1 1 52 52 LYS HD3 H 1 1.33 . . 1 . . . . . . . . 4117 1 619 . 1 1 52 52 LYS HE2 H 1 2.49 . . 2 . . . . . . . . 4117 1 620 . 1 1 52 52 LYS HE3 H 1 2.55 . . 2 . . . . . . . . 4117 1 621 . 1 1 52 52 LYS C C 13 174.4 . . 1 . . . . . . . . 4117 1 622 . 1 1 52 52 LYS CA C 13 53.0 . . 1 . . . . . . . . 4117 1 623 . 1 1 52 52 LYS CB C 13 34.7 . . 1 . . . . . . . . 4117 1 624 . 1 1 52 52 LYS CG C 13 24.2 . . 1 . . . . . . . . 4117 1 625 . 1 1 52 52 LYS CD C 13 29.8 . . 1 . . . . . . . . 4117 1 626 . 1 1 52 52 LYS CE C 13 42.2 . . 1 . . . . . . . . 4117 1 627 . 1 1 52 52 LYS N N 15 115.1 . . 1 . . . . . . . . 4117 1 628 . 1 1 53 53 LEU H H 1 8.56 . . 1 . . . . . . . . 4117 1 629 . 1 1 53 53 LEU HA H 1 4.65 . . 1 . . . . . . . . 4117 1 630 . 1 1 53 53 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4117 1 631 . 1 1 53 53 LEU HB3 H 1 0.95 . . 2 . . . . . . . . 4117 1 632 . 1 1 53 53 LEU HG H 1 1.16 . . 1 . . . . . . . . 4117 1 633 . 1 1 53 53 LEU HD11 H 1 0.47 . . 2 . . . . . . . . 4117 1 634 . 1 1 53 53 LEU HD12 H 1 0.47 . . 2 . . . . . . . . 4117 1 635 . 1 1 53 53 LEU HD13 H 1 0.47 . . 2 . . . . . . . . 4117 1 636 . 1 1 53 53 LEU HD21 H 1 0.70 . . 2 . . . . . . . . 4117 1 637 . 1 1 53 53 LEU HD22 H 1 0.70 . . 2 . . . . . . . . 4117 1 638 . 1 1 53 53 LEU HD23 H 1 0.70 . . 2 . . . . . . . . 4117 1 639 . 1 1 53 53 LEU C C 13 174.5 . . 1 . . . . . . . . 4117 1 640 . 1 1 53 53 LEU CA C 13 53.5 . . 1 . . . . . . . . 4117 1 641 . 1 1 53 53 LEU CB C 13 43.7 . . 1 . . . . . . . . 4117 1 642 . 1 1 53 53 LEU CG C 13 26.9 . . 1 . . . . . . . . 4117 1 643 . 1 1 53 53 LEU CD1 C 13 26.0 . . 2 . . . . . . . . 4117 1 644 . 1 1 53 53 LEU CD2 C 13 24.0 . . 2 . . . . . . . . 4117 1 645 . 1 1 53 53 LEU N N 15 122.6 . . 1 . . . . . . . . 4117 1 646 . 1 1 54 54 GLN H H 1 9.13 . . 1 . . . . . . . . 4117 1 647 . 1 1 54 54 GLN HA H 1 5.91 . . 1 . . . . . . . . 4117 1 648 . 1 1 54 54 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 4117 1 649 . 1 1 54 54 GLN HB3 H 1 1.63 . . 2 . . . . . . . . 4117 1 650 . 1 1 54 54 GLN HG2 H 1 1.92 . . 2 . . . . . . . . 4117 1 651 . 1 1 54 54 GLN HG3 H 1 2.31 . . 2 . . . . . . . . 4117 1 652 . 1 1 54 54 GLN HE21 H 1 6.60 . . 2 . . . . . . . . 4117 1 653 . 1 1 54 54 GLN HE22 H 1 9.02 . . 2 . . . . . . . . 4117 1 654 . 1 1 54 54 GLN C C 13 175.1 . . 1 . . . . . . . . 4117 1 655 . 1 1 54 54 GLN CA C 13 54.4 . . 1 . . . . . . . . 4117 1 656 . 1 1 54 54 GLN CB C 13 31.9 . . 1 . . . . . . . . 4117 1 657 . 1 1 54 54 GLN CG C 13 35.0 . . 1 . . . . . . . . 4117 1 658 . 1 1 54 54 GLN N N 15 128.8 . . 1 . . . . . . . . 4117 1 659 . 1 1 54 54 GLN NE2 N 15 112.1 . . 1 . . . . . . . . 4117 1 660 . 1 1 55 55 ILE H H 1 9.43 . . 1 . . . . . . . . 4117 1 661 . 1 1 55 55 ILE HA H 1 5.02 . . 1 . . . . . . . . 4117 1 662 . 1 1 55 55 ILE HB H 1 1.22 . . 1 . . . . . . . . 4117 1 663 . 1 1 55 55 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 4117 1 664 . 1 1 55 55 ILE HG13 H 1 1.57 . . 2 . . . . . . . . 4117 1 665 . 1 1 55 55 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 4117 1 666 . 1 1 55 55 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 4117 1 667 . 1 1 55 55 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 4117 1 668 . 1 1 55 55 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4117 1 669 . 1 1 55 55 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4117 1 670 . 1 1 55 55 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4117 1 671 . 1 1 55 55 ILE C C 13 171.7 . . 1 . . . . . . . . 4117 1 672 . 1 1 55 55 ILE CA C 13 58.1 . . 1 . . . . . . . . 4117 1 673 . 1 1 55 55 ILE CB C 13 42.2 . . 1 . . . . . . . . 4117 1 674 . 1 1 55 55 ILE CG1 C 13 28.9 . . 1 . . . . . . . . 4117 1 675 . 1 1 55 55 ILE CG2 C 13 14.4 . . 1 . . . . . . . . 4117 1 676 . 1 1 55 55 ILE CD1 C 13 14.3 . . 1 . . . . . . . . 4117 1 677 . 1 1 55 55 ILE N N 15 125.7 . . 1 . . . . . . . . 4117 1 678 . 1 1 56 56 GLN H H 1 8.36 . . 1 . . . . . . . . 4117 1 679 . 1 1 56 56 GLN HA H 1 5.39 . . 1 . . . . . . . . 4117 1 680 . 1 1 56 56 GLN HB2 H 1 2.25 . . 2 . . . . . . . . 4117 1 681 . 1 1 56 56 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4117 1 682 . 1 1 56 56 GLN HG2 H 1 2.25 . . 2 . . . . . . . . 4117 1 683 . 1 1 56 56 GLN HG3 H 1 2.32 . . 2 . . . . . . . . 4117 1 684 . 1 1 56 56 GLN HE21 H 1 6.76 . . 2 . . . . . . . . 4117 1 685 . 1 1 56 56 GLN HE22 H 1 7.48 . . 2 . . . . . . . . 4117 1 686 . 1 1 56 56 GLN C C 13 175.5 . . 1 . . . . . . . . 4117 1 687 . 1 1 56 56 GLN CA C 13 53.9 . . 1 . . . . . . . . 4117 1 688 . 1 1 56 56 GLN CB C 13 31.0 . . 1 . . . . . . . . 4117 1 689 . 1 1 56 56 GLN CG C 13 33.5 . . 1 . . . . . . . . 4117 1 690 . 1 1 56 56 GLN N N 15 127.8 . . 1 . . . . . . . . 4117 1 691 . 1 1 56 56 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 4117 1 692 . 1 1 57 57 CYS H H 1 9.26 . . 1 . . . . . . . . 4117 1 693 . 1 1 57 57 CYS HA H 1 5.06 . . 1 . . . . . . . . 4117 1 694 . 1 1 57 57 CYS HB2 H 1 1.96 . . 2 . . . . . . . . 4117 1 695 . 1 1 57 57 CYS HB3 H 1 2.80 . . 2 . . . . . . . . 4117 1 696 . 1 1 57 57 CYS C C 13 172.3 . . 1 . . . . . . . . 4117 1 697 . 1 1 57 57 CYS CA C 13 55.6 . . 1 . . . . . . . . 4117 1 698 . 1 1 57 57 CYS CB C 13 31.4 . . 1 . . . . . . . . 4117 1 699 . 1 1 57 57 CYS N N 15 118.1 . . 1 . . . . . . . . 4117 1 700 . 1 1 58 58 VAL H H 1 8.48 . . 1 . . . . . . . . 4117 1 701 . 1 1 58 58 VAL HA H 1 4.94 . . 1 . . . . . . . . 4117 1 702 . 1 1 58 58 VAL HB H 1 1.66 . . 1 . . . . . . . . 4117 1 703 . 1 1 58 58 VAL HG11 H 1 0.75 . . 2 . . . . . . . . 4117 1 704 . 1 1 58 58 VAL HG12 H 1 0.75 . . 2 . . . . . . . . 4117 1 705 . 1 1 58 58 VAL HG13 H 1 0.75 . . 2 . . . . . . . . 4117 1 706 . 1 1 58 58 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4117 1 707 . 1 1 58 58 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4117 1 708 . 1 1 58 58 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4117 1 709 . 1 1 58 58 VAL C C 13 176.1 . . 1 . . . . . . . . 4117 1 710 . 1 1 58 58 VAL CA C 13 60.8 . . 1 . . . . . . . . 4117 1 711 . 1 1 58 58 VAL CB C 13 33.7 . . 1 . . . . . . . . 4117 1 712 . 1 1 58 58 VAL CG1 C 13 21.3 . . 1 . . . . . . . . 4117 1 713 . 1 1 58 58 VAL CG2 C 13 21.3 . . 1 . . . . . . . . 4117 1 714 . 1 1 58 58 VAL N N 15 121.4 . . 1 . . . . . . . . 4117 1 715 . 1 1 59 59 VAL H H 1 8.81 . . 1 . . . . . . . . 4117 1 716 . 1 1 59 59 VAL HA H 1 5.53 . . 1 . . . . . . . . 4117 1 717 . 1 1 59 59 VAL HB H 1 1.96 . . 1 . . . . . . . . 4117 1 718 . 1 1 59 59 VAL HG11 H 1 0.61 . . 2 . . . . . . . . 4117 1 719 . 1 1 59 59 VAL HG12 H 1 0.61 . . 2 . . . . . . . . 4117 1 720 . 1 1 59 59 VAL HG13 H 1 0.61 . . 2 . . . . . . . . 4117 1 721 . 1 1 59 59 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4117 1 722 . 1 1 59 59 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4117 1 723 . 1 1 59 59 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4117 1 724 . 1 1 59 59 VAL C C 13 175.7 . . 1 . . . . . . . . 4117 1 725 . 1 1 59 59 VAL CA C 13 56.9 . . 1 . . . . . . . . 4117 1 726 . 1 1 59 59 VAL CB C 13 34.9 . . 1 . . . . . . . . 4117 1 727 . 1 1 59 59 VAL CG1 C 13 22.6 . . 2 . . . . . . . . 4117 1 728 . 1 1 59 59 VAL CG2 C 13 19.0 . . 2 . . . . . . . . 4117 1 729 . 1 1 59 59 VAL N N 15 119.3 . . 1 . . . . . . . . 4117 1 730 . 1 1 60 60 GLU H H 1 8.23 . . 1 . . . . . . . . 4117 1 731 . 1 1 60 60 GLU HA H 1 4.66 . . 1 . . . . . . . . 4117 1 732 . 1 1 60 60 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 4117 1 733 . 1 1 60 60 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4117 1 734 . 1 1 60 60 GLU HG2 H 1 2.01 . . 2 . . . . . . . . 4117 1 735 . 1 1 60 60 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4117 1 736 . 1 1 60 60 GLU C C 13 176.6 . . 1 . . . . . . . . 4117 1 737 . 1 1 60 60 GLU CA C 13 55.0 . . 1 . . . . . . . . 4117 1 738 . 1 1 60 60 GLU CB C 13 29.6 . . 1 . . . . . . . . 4117 1 739 . 1 1 60 60 GLU CG C 13 36.6 . . 1 . . . . . . . . 4117 1 740 . 1 1 60 60 GLU N N 15 120.8 . . 1 . . . . . . . . 4117 1 741 . 1 1 61 61 ASP H H 1 8.31 . . 1 . . . . . . . . 4117 1 742 . 1 1 61 61 ASP HA H 1 4.28 . . 1 . . . . . . . . 4117 1 743 . 1 1 61 61 ASP HB2 H 1 2.39 . . 2 . . . . . . . . 4117 1 744 . 1 1 61 61 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4117 1 745 . 1 1 61 61 ASP C C 13 176.4 . . 1 . . . . . . . . 4117 1 746 . 1 1 61 61 ASP CA C 13 56.7 . . 1 . . . . . . . . 4117 1 747 . 1 1 61 61 ASP CB C 13 40.3 . . 1 . . . . . . . . 4117 1 748 . 1 1 61 61 ASP N N 15 126.6 . . 1 . . . . . . . . 4117 1 749 . 1 1 62 62 ASP H H 1 8.92 . . 1 . . . . . . . . 4117 1 750 . 1 1 62 62 ASP HA H 1 4.32 . . 1 . . . . . . . . 4117 1 751 . 1 1 62 62 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 4117 1 752 . 1 1 62 62 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4117 1 753 . 1 1 62 62 ASP C C 13 176.3 . . 1 . . . . . . . . 4117 1 754 . 1 1 62 62 ASP CA C 13 55.0 . . 1 . . . . . . . . 4117 1 755 . 1 1 62 62 ASP CB C 13 39.9 . . 1 . . . . . . . . 4117 1 756 . 1 1 62 62 ASP N N 15 114.9 . . 1 . . . . . . . . 4117 1 757 . 1 1 63 63 LYS H H 1 7.92 . . 1 . . . . . . . . 4117 1 758 . 1 1 63 63 LYS HA H 1 4.34 . . 1 . . . . . . . . 4117 1 759 . 1 1 63 63 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4117 1 760 . 1 1 63 63 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 4117 1 761 . 1 1 63 63 LYS HE2 H 1 2.82 . . 1 . . . . . . . . 4117 1 762 . 1 1 63 63 LYS HE3 H 1 2.82 . . 1 . . . . . . . . 4117 1 763 . 1 1 63 63 LYS C C 13 176.3 . . 1 . . . . . . . . 4117 1 764 . 1 1 63 63 LYS CA C 13 57.5 . . 1 . . . . . . . . 4117 1 765 . 1 1 63 63 LYS CB C 13 35.8 . . 1 . . . . . . . . 4117 1 766 . 1 1 63 63 LYS CE C 13 41.7 . . 1 . . . . . . . . 4117 1 767 . 1 1 63 63 LYS N N 15 117.0 . . 1 . . . . . . . . 4117 1 768 . 1 1 64 64 VAL H H 1 7.62 . . 1 . . . . . . . . 4117 1 769 . 1 1 64 64 VAL HA H 1 4.24 . . 1 . . . . . . . . 4117 1 770 . 1 1 64 64 VAL HB H 1 1.74 . . 1 . . . . . . . . 4117 1 771 . 1 1 64 64 VAL HG11 H 1 0.67 . . 1 . . . . . . . . 4117 1 772 . 1 1 64 64 VAL HG12 H 1 0.67 . . 1 . . . . . . . . 4117 1 773 . 1 1 64 64 VAL HG13 H 1 0.67 . . 1 . . . . . . . . 4117 1 774 . 1 1 64 64 VAL HG21 H 1 0.67 . . 1 . . . . . . . . 4117 1 775 . 1 1 64 64 VAL HG22 H 1 0.67 . . 1 . . . . . . . . 4117 1 776 . 1 1 64 64 VAL HG23 H 1 0.67 . . 1 . . . . . . . . 4117 1 777 . 1 1 64 64 VAL C C 13 173.6 . . 1 . . . . . . . . 4117 1 778 . 1 1 64 64 VAL CA C 13 61.4 . . 1 . . . . . . . . 4117 1 779 . 1 1 64 64 VAL CB C 13 34.7 . . 1 . . . . . . . . 4117 1 780 . 1 1 64 64 VAL CG1 C 13 21.3 . . 2 . . . . . . . . 4117 1 781 . 1 1 64 64 VAL CG2 C 13 23.6 . . 2 . . . . . . . . 4117 1 782 . 1 1 64 64 VAL N N 15 118.9 . . 1 . . . . . . . . 4117 1 783 . 1 1 65 65 GLY H H 1 7.41 . . 1 . . . . . . . . 4117 1 784 . 1 1 65 65 GLY HA2 H 1 4.45 . . 2 . . . . . . . . 4117 1 785 . 1 1 65 65 GLY HA3 H 1 3.80 . . 2 . . . . . . . . 4117 1 786 . 1 1 65 65 GLY C C 13 174.8 . . 1 . . . . . . . . 4117 1 787 . 1 1 65 65 GLY CA C 13 43.0 . . 1 . . . . . . . . 4117 1 788 . 1 1 65 65 GLY N N 15 111.2 . . 1 . . . . . . . . 4117 1 789 . 1 1 66 66 THR H H 1 8.70 . . 1 . . . . . . . . 4117 1 790 . 1 1 66 66 THR HA H 1 3.69 . . 1 . . . . . . . . 4117 1 791 . 1 1 66 66 THR HB H 1 4.07 . . 1 . . . . . . . . 4117 1 792 . 1 1 66 66 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4117 1 793 . 1 1 66 66 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4117 1 794 . 1 1 66 66 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4117 1 795 . 1 1 66 66 THR C C 13 176.4 . . 1 . . . . . . . . 4117 1 796 . 1 1 66 66 THR CA C 13 65.4 . . 1 . . . . . . . . 4117 1 797 . 1 1 66 66 THR CB C 13 67.2 . . 1 . . . . . . . . 4117 1 798 . 1 1 66 66 THR CG2 C 13 22.7 . . 1 . . . . . . . . 4117 1 799 . 1 1 66 66 THR N N 15 111.0 . . 1 . . . . . . . . 4117 1 800 . 1 1 67 67 ASP H H 1 8.66 . . 1 . . . . . . . . 4117 1 801 . 1 1 67 67 ASP HA H 1 4.34 . . 1 . . . . . . . . 4117 1 802 . 1 1 67 67 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4117 1 803 . 1 1 67 67 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4117 1 804 . 1 1 67 67 ASP C C 13 178.2 . . 1 . . . . . . . . 4117 1 805 . 1 1 67 67 ASP CA C 13 56.5 . . 1 . . . . . . . . 4117 1 806 . 1 1 67 67 ASP CB C 13 38.7 . . 1 . . . . . . . . 4117 1 807 . 1 1 67 67 ASP N N 15 121.6 . . 1 . . . . . . . . 4117 1 808 . 1 1 68 68 MET H H 1 7.61 . . 1 . . . . . . . . 4117 1 809 . 1 1 68 68 MET HA H 1 4.16 . . 1 . . . . . . . . 4117 1 810 . 1 1 68 68 MET HB2 H 1 2.26 . . 2 . . . . . . . . 4117 1 811 . 1 1 68 68 MET HB3 H 1 2.11 . . 2 . . . . . . . . 4117 1 812 . 1 1 68 68 MET HG2 H 1 2.70 . . 2 . . . . . . . . 4117 1 813 . 1 1 68 68 MET HG3 H 1 2.45 . . 2 . . . . . . . . 4117 1 814 . 1 1 68 68 MET HE1 H 1 1.99 . . 1 . . . . . . . . 4117 1 815 . 1 1 68 68 MET HE2 H 1 1.99 . . 1 . . . . . . . . 4117 1 816 . 1 1 68 68 MET HE3 H 1 1.99 . . 1 . . . . . . . . 4117 1 817 . 1 1 68 68 MET C C 13 178.2 . . 1 . . . . . . . . 4117 1 818 . 1 1 68 68 MET CA C 13 58.1 . . 1 . . . . . . . . 4117 1 819 . 1 1 68 68 MET CB C 13 32.7 . . 1 . . . . . . . . 4117 1 820 . 1 1 68 68 MET CG C 13 31.8 . . 1 . . . . . . . . 4117 1 821 . 1 1 68 68 MET CE C 13 17.3 . . 1 . . . . . . . . 4117 1 822 . 1 1 68 68 MET N N 15 121.8 . . 1 . . . . . . . . 4117 1 823 . 1 1 69 69 LEU H H 1 7.39 . . 1 . . . . . . . . 4117 1 824 . 1 1 69 69 LEU HA H 1 3.91 . . 1 . . . . . . . . 4117 1 825 . 1 1 69 69 LEU HB2 H 1 1.75 . . 2 . . . . . . . . 4117 1 826 . 1 1 69 69 LEU HB3 H 1 1.29 . . 2 . . . . . . . . 4117 1 827 . 1 1 69 69 LEU HG H 1 1.60 . . 1 . . . . . . . . 4117 1 828 . 1 1 69 69 LEU HD11 H 1 0.69 . . 2 . . . . . . . . 4117 1 829 . 1 1 69 69 LEU HD12 H 1 0.69 . . 2 . . . . . . . . 4117 1 830 . 1 1 69 69 LEU HD13 H 1 0.69 . . 2 . . . . . . . . 4117 1 831 . 1 1 69 69 LEU HD21 H 1 0.62 . . 2 . . . . . . . . 4117 1 832 . 1 1 69 69 LEU HD22 H 1 0.62 . . 2 . . . . . . . . 4117 1 833 . 1 1 69 69 LEU HD23 H 1 0.62 . . 2 . . . . . . . . 4117 1 834 . 1 1 69 69 LEU C C 13 177.6 . . 1 . . . . . . . . 4117 1 835 . 1 1 69 69 LEU CA C 13 57.7 . . 1 . . . . . . . . 4117 1 836 . 1 1 69 69 LEU CB C 13 41.4 . . 1 . . . . . . . . 4117 1 837 . 1 1 69 69 LEU CG C 13 26.0 . . 1 . . . . . . . . 4117 1 838 . 1 1 69 69 LEU CD1 C 13 22.6 . . 2 . . . . . . . . 4117 1 839 . 1 1 69 69 LEU CD2 C 13 25.7 . . 2 . . . . . . . . 4117 1 840 . 1 1 69 69 LEU N N 15 118.0 . . 1 . . . . . . . . 4117 1 841 . 1 1 70 70 GLU H H 1 8.33 . . 1 . . . . . . . . 4117 1 842 . 1 1 70 70 GLU HA H 1 4.14 . . 1 . . . . . . . . 4117 1 843 . 1 1 70 70 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4117 1 844 . 1 1 70 70 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 4117 1 845 . 1 1 70 70 GLU HG2 H 1 2.17 . . 2 . . . . . . . . 4117 1 846 . 1 1 70 70 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4117 1 847 . 1 1 70 70 GLU C C 13 179.4 . . 1 . . . . . . . . 4117 1 848 . 1 1 70 70 GLU CA C 13 60.3 . . 1 . . . . . . . . 4117 1 849 . 1 1 70 70 GLU CB C 13 29.1 . . 1 . . . . . . . . 4117 1 850 . 1 1 70 70 GLU CG C 13 36.1 . . 1 . . . . . . . . 4117 1 851 . 1 1 70 70 GLU N N 15 118.7 . . 1 . . . . . . . . 4117 1 852 . 1 1 71 71 GLU H H 1 7.95 . . 1 . . . . . . . . 4117 1 853 . 1 1 71 71 GLU HA H 1 3.80 . . 1 . . . . . . . . 4117 1 854 . 1 1 71 71 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4117 1 855 . 1 1 71 71 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4117 1 856 . 1 1 71 71 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 4117 1 857 . 1 1 71 71 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4117 1 858 . 1 1 71 71 GLU C C 13 178.3 . . 1 . . . . . . . . 4117 1 859 . 1 1 71 71 GLU CA C 13 59.3 . . 1 . . . . . . . . 4117 1 860 . 1 1 71 71 GLU CB C 13 29.3 . . 1 . . . . . . . . 4117 1 861 . 1 1 71 71 GLU CG C 13 35.6 . . 1 . . . . . . . . 4117 1 862 . 1 1 71 71 GLU N N 15 120.8 . . 1 . . . . . . . . 4117 1 863 . 1 1 72 72 GLN H H 1 8.03 . . 1 . . . . . . . . 4117 1 864 . 1 1 72 72 GLN HA H 1 3.95 . . 1 . . . . . . . . 4117 1 865 . 1 1 72 72 GLN HB2 H 1 1.99 . . 2 . . . . . . . . 4117 1 866 . 1 1 72 72 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 4117 1 867 . 1 1 72 72 GLN HG2 H 1 2.47 . . 1 . . . . . . . . 4117 1 868 . 1 1 72 72 GLN HG3 H 1 2.47 . . 1 . . . . . . . . 4117 1 869 . 1 1 72 72 GLN HE21 H 1 6.69 . . 2 . . . . . . . . 4117 1 870 . 1 1 72 72 GLN HE22 H 1 7.36 . . 2 . . . . . . . . 4117 1 871 . 1 1 72 72 GLN C C 13 177.9 . . 1 . . . . . . . . 4117 1 872 . 1 1 72 72 GLN CA C 13 58.3 . . 1 . . . . . . . . 4117 1 873 . 1 1 72 72 GLN CB C 13 28.5 . . 1 . . . . . . . . 4117 1 874 . 1 1 72 72 GLN CG C 13 34.3 . . 1 . . . . . . . . 4117 1 875 . 1 1 72 72 GLN N N 15 114.9 . . 1 . . . . . . . . 4117 1 876 . 1 1 72 72 GLN NE2 N 15 110.8 . . 1 . . . . . . . . 4117 1 877 . 1 1 73 73 ILE H H 1 8.68 . . 1 . . . . . . . . 4117 1 878 . 1 1 73 73 ILE HA H 1 3.91 . . 1 . . . . . . . . 4117 1 879 . 1 1 73 73 ILE HB H 1 2.00 . . 1 . . . . . . . . 4117 1 880 . 1 1 73 73 ILE HG12 H 1 2.09 . . 1 . . . . . . . . 4117 1 881 . 1 1 73 73 ILE HG13 H 1 2.09 . . 1 . . . . . . . . 4117 1 882 . 1 1 73 73 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4117 1 883 . 1 1 73 73 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4117 1 884 . 1 1 73 73 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4117 1 885 . 1 1 73 73 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4117 1 886 . 1 1 73 73 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4117 1 887 . 1 1 73 73 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4117 1 888 . 1 1 73 73 ILE C C 13 177.7 . . 1 . . . . . . . . 4117 1 889 . 1 1 73 73 ILE CA C 13 65.6 . . 1 . . . . . . . . 4117 1 890 . 1 1 73 73 ILE CB C 13 37.8 . . 1 . . . . . . . . 4117 1 891 . 1 1 73 73 ILE CG1 C 13 31.4 . . 1 . . . . . . . . 4117 1 892 . 1 1 73 73 ILE CG2 C 13 18.4 . . 1 . . . . . . . . 4117 1 893 . 1 1 73 73 ILE CD1 C 13 14.6 . . 1 . . . . . . . . 4117 1 894 . 1 1 73 73 ILE N N 15 118.0 . . 1 . . . . . . . . 4117 1 895 . 1 1 74 74 THR H H 1 8.04 . . 1 . . . . . . . . 4117 1 896 . 1 1 74 74 THR HA H 1 3.75 . . 1 . . . . . . . . 4117 1 897 . 1 1 74 74 THR HB H 1 4.32 . . 1 . . . . . . . . 4117 1 898 . 1 1 74 74 THR HG21 H 1 1.2 . . 1 . . . . . . . . 4117 1 899 . 1 1 74 74 THR HG22 H 1 1.2 . . 1 . . . . . . . . 4117 1 900 . 1 1 74 74 THR HG23 H 1 1.2 . . 1 . . . . . . . . 4117 1 901 . 1 1 74 74 THR C C 13 175.6 . . 1 . . . . . . . . 4117 1 902 . 1 1 74 74 THR CA C 13 64.0 . . 1 . . . . . . . . 4117 1 903 . 1 1 74 74 THR CB C 13 68.7 . . 1 . . . . . . . . 4117 1 904 . 1 1 74 74 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4117 1 905 . 1 1 74 74 THR N N 15 106.0 . . 1 . . . . . . . . 4117 1 906 . 1 1 75 75 ALA H H 1 6.87 . . 1 . . . . . . . . 4117 1 907 . 1 1 75 75 ALA HA H 1 4.23 . . 1 . . . . . . . . 4117 1 908 . 1 1 75 75 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 4117 1 909 . 1 1 75 75 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 4117 1 910 . 1 1 75 75 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 4117 1 911 . 1 1 75 75 ALA C C 13 179.6 . . 1 . . . . . . . . 4117 1 912 . 1 1 75 75 ALA CA C 13 53.2 . . 1 . . . . . . . . 4117 1 913 . 1 1 75 75 ALA CB C 13 17.7 . . 1 . . . . . . . . 4117 1 914 . 1 1 75 75 ALA N N 15 121.4 . . 1 . . . . . . . . 4117 1 915 . 1 1 76 76 PHE H H 1 7.22 . . 1 . . . . . . . . 4117 1 916 . 1 1 76 76 PHE HA H 1 5.07 . . 1 . . . . . . . . 4117 1 917 . 1 1 76 76 PHE HB2 H 1 3.34 . . 2 . . . . . . . . 4117 1 918 . 1 1 76 76 PHE HB3 H 1 3.17 . . 2 . . . . . . . . 4117 1 919 . 1 1 76 76 PHE HD1 H 1 7.55 . . 1 . . . . . . . . 4117 1 920 . 1 1 76 76 PHE HD2 H 1 7.55 . . 1 . . . . . . . . 4117 1 921 . 1 1 76 76 PHE HE1 H 1 7.19 . . 1 . . . . . . . . 4117 1 922 . 1 1 76 76 PHE HE2 H 1 7.19 . . 1 . . . . . . . . 4117 1 923 . 1 1 76 76 PHE HZ H 1 7.10 . . 1 . . . . . . . . 4117 1 924 . 1 1 76 76 PHE C C 13 177.8 . . 1 . . . . . . . . 4117 1 925 . 1 1 76 76 PHE CA C 13 56.9 . . 1 . . . . . . . . 4117 1 926 . 1 1 76 76 PHE CB C 13 35.6 . . 1 . . . . . . . . 4117 1 927 . 1 1 76 76 PHE N N 15 118.9 . . 1 . . . . . . . . 4117 1 928 . 1 1 77 77 GLU H H 1 8.02 . . 1 . . . . . . . . 4117 1 929 . 1 1 77 77 GLU HA H 1 4.43 . . 1 . . . . . . . . 4117 1 930 . 1 1 77 77 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 4117 1 931 . 1 1 77 77 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 4117 1 932 . 1 1 77 77 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4117 1 933 . 1 1 77 77 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4117 1 934 . 1 1 77 77 GLU C C 13 177.3 . . 1 . . . . . . . . 4117 1 935 . 1 1 77 77 GLU CA C 13 58.8 . . 1 . . . . . . . . 4117 1 936 . 1 1 77 77 GLU CB C 13 30.0 . . 1 . . . . . . . . 4117 1 937 . 1 1 77 77 GLU CG C 13 36.1 . . 1 . . . . . . . . 4117 1 938 . 1 1 77 77 GLU N N 15 122.6 . . 1 . . . . . . . . 4117 1 939 . 1 1 78 78 ASP H H 1 8.82 . . 1 . . . . . . . . 4117 1 940 . 1 1 78 78 ASP HA H 1 4.26 . . 1 . . . . . . . . 4117 1 941 . 1 1 78 78 ASP HB2 H 1 2.03 . . 2 . . . . . . . . 4117 1 942 . 1 1 78 78 ASP HB3 H 1 1.83 . . 2 . . . . . . . . 4117 1 943 . 1 1 78 78 ASP C C 13 176.3 . . 1 . . . . . . . . 4117 1 944 . 1 1 78 78 ASP CA C 13 56.1 . . 1 . . . . . . . . 4117 1 945 . 1 1 78 78 ASP CB C 13 39.5 . . 1 . . . . . . . . 4117 1 946 . 1 1 78 78 ASP N N 15 117.6 . . 1 . . . . . . . . 4117 1 947 . 1 1 79 79 TYR H H 1 7.64 . . 1 . . . . . . . . 4117 1 948 . 1 1 79 79 TYR HA H 1 4.87 . . 1 . . . . . . . . 4117 1 949 . 1 1 79 79 TYR HB2 H 1 3.09 . . 2 . . . . . . . . 4117 1 950 . 1 1 79 79 TYR HB3 H 1 2.55 . . 2 . . . . . . . . 4117 1 951 . 1 1 79 79 TYR HD1 H 1 6.97 . . 1 . . . . . . . . 4117 1 952 . 1 1 79 79 TYR HD2 H 1 6.97 . . 1 . . . . . . . . 4117 1 953 . 1 1 79 79 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 4117 1 954 . 1 1 79 79 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 4117 1 955 . 1 1 79 79 TYR C C 13 173.6 . . 1 . . . . . . . . 4117 1 956 . 1 1 79 79 TYR CA C 13 58.8 . . 1 . . . . . . . . 4117 1 957 . 1 1 79 79 TYR CB C 13 42.4 . . 1 . . . . . . . . 4117 1 958 . 1 1 79 79 TYR N N 15 113.1 . . 1 . . . . . . . . 4117 1 959 . 1 1 80 80 VAL H H 1 7.97 . . 1 . . . . . . . . 4117 1 960 . 1 1 80 80 VAL HA H 1 3.56 . . 1 . . . . . . . . 4117 1 961 . 1 1 80 80 VAL HB H 1 1.83 . . 1 . . . . . . . . 4117 1 962 . 1 1 80 80 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4117 1 963 . 1 1 80 80 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4117 1 964 . 1 1 80 80 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4117 1 965 . 1 1 80 80 VAL HG21 H 1 0.49 . . 2 . . . . . . . . 4117 1 966 . 1 1 80 80 VAL HG22 H 1 0.49 . . 2 . . . . . . . . 4117 1 967 . 1 1 80 80 VAL HG23 H 1 0.49 . . 2 . . . . . . . . 4117 1 968 . 1 1 80 80 VAL C C 13 173.3 . . 1 . . . . . . . . 4117 1 969 . 1 1 80 80 VAL CA C 13 62.3 . . 1 . . . . . . . . 4117 1 970 . 1 1 80 80 VAL CB C 13 33.4 . . 1 . . . . . . . . 4117 1 971 . 1 1 80 80 VAL CG1 C 13 20.9 . . 2 . . . . . . . . 4117 1 972 . 1 1 80 80 VAL CG2 C 13 21.6 . . 2 . . . . . . . . 4117 1 973 . 1 1 80 80 VAL N N 15 116.6 . . 1 . . . . . . . . 4117 1 974 . 1 1 81 81 GLN H H 1 8.44 . . 1 . . . . . . . . 4117 1 975 . 1 1 81 81 GLN HA H 1 2.66 . . 1 . . . . . . . . 4117 1 976 . 1 1 81 81 GLN HB2 H 1 0.97 . . 2 . . . . . . . . 4117 1 977 . 1 1 81 81 GLN HB3 H 1 0.19 . . 2 . . . . . . . . 4117 1 978 . 1 1 81 81 GLN HG2 H 1 1.59 . . 2 . . . . . . . . 4117 1 979 . 1 1 81 81 GLN HG3 H 1 1.71 . . 2 . . . . . . . . 4117 1 980 . 1 1 81 81 GLN HE21 H 1 6.91 . . 2 . . . . . . . . 4117 1 981 . 1 1 81 81 GLN HE22 H 1 7.17 . . 2 . . . . . . . . 4117 1 982 . 1 1 81 81 GLN C C 13 175.6 . . 1 . . . . . . . . 4117 1 983 . 1 1 81 81 GLN CA C 13 55.8 . . 1 . . . . . . . . 4117 1 984 . 1 1 81 81 GLN CB C 13 28.8 . . 1 . . . . . . . . 4117 1 985 . 1 1 81 81 GLN CG C 13 33.5 . . 1 . . . . . . . . 4117 1 986 . 1 1 81 81 GLN N N 15 125.9 . . 1 . . . . . . . . 4117 1 987 . 1 1 81 81 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 4117 1 988 . 1 1 82 82 SER H H 1 7.24 . . 1 . . . . . . . . 4117 1 989 . 1 1 82 82 SER HA H 1 4.19 . . 1 . . . . . . . . 4117 1 990 . 1 1 82 82 SER HB2 H 1 3.65 . . 1 . . . . . . . . 4117 1 991 . 1 1 82 82 SER HB3 H 1 3.65 . . 1 . . . . . . . . 4117 1 992 . 1 1 82 82 SER C C 13 171.2 . . 1 . . . . . . . . 4117 1 993 . 1 1 82 82 SER CA C 13 57.1 . . 1 . . . . . . . . 4117 1 994 . 1 1 82 82 SER CB C 13 64.7 . . 1 . . . . . . . . 4117 1 995 . 1 1 82 82 SER N N 15 108.3 . . 1 . . . . . . . . 4117 1 996 . 1 1 83 83 MET H H 1 8.68 . . 1 . . . . . . . . 4117 1 997 . 1 1 83 83 MET HA H 1 5.21 . . 1 . . . . . . . . 4117 1 998 . 1 1 83 83 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4117 1 999 . 1 1 83 83 MET HB3 H 1 1.86 . . 2 . . . . . . . . 4117 1 1000 . 1 1 83 83 MET HG2 H 1 2.18 . . 2 . . . . . . . . 4117 1 1001 . 1 1 83 83 MET HG3 H 1 2.37 . . 2 . . . . . . . . 4117 1 1002 . 1 1 83 83 MET HE1 H 1 1.8 . . 1 . . . . . . . . 4117 1 1003 . 1 1 83 83 MET HE2 H 1 1.8 . . 1 . . . . . . . . 4117 1 1004 . 1 1 83 83 MET HE3 H 1 1.8 . . 1 . . . . . . . . 4117 1 1005 . 1 1 83 83 MET C C 13 173.4 . . 1 . . . . . . . . 4117 1 1006 . 1 1 83 83 MET CA C 13 54.0 . . 1 . . . . . . . . 4117 1 1007 . 1 1 83 83 MET CB C 13 38.3 . . 1 . . . . . . . . 4117 1 1008 . 1 1 83 83 MET CG C 13 30.6 . . 1 . . . . . . . . 4117 1 1009 . 1 1 83 83 MET CE C 13 17.7 . . 1 . . . . . . . . 4117 1 1010 . 1 1 83 83 MET N N 15 118.7 . . 1 . . . . . . . . 4117 1 1011 . 1 1 84 84 ASP H H 1 9.05 . . 1 . . . . . . . . 4117 1 1012 . 1 1 84 84 ASP HA H 1 4.99 . . 1 . . . . . . . . 4117 1 1013 . 1 1 84 84 ASP HB2 H 1 2.39 . . 1 . . . . . . . . 4117 1 1014 . 1 1 84 84 ASP HB3 H 1 2.52 . . 1 . . . . . . . . 4117 1 1015 . 1 1 84 84 ASP C C 13 174.9 . . 1 . . . . . . . . 4117 1 1016 . 1 1 84 84 ASP CA C 13 52.5 . . 1 . . . . . . . . 4117 1 1017 . 1 1 84 84 ASP CB C 13 45.1 . . 1 . . . . . . . . 4117 1 1018 . 1 1 84 84 ASP N N 15 122.6 . . 1 . . . . . . . . 4117 1 1019 . 1 1 85 85 VAL H H 1 8.83 . . 1 . . . . . . . . 4117 1 1020 . 1 1 85 85 VAL HA H 1 4.03 . . 1 . . . . . . . . 4117 1 1021 . 1 1 85 85 VAL HB H 1 2.03 . . 1 . . . . . . . . 4117 1 1022 . 1 1 85 85 VAL HG11 H 1 0.84 . . 1 . . . . . . . . 4117 1 1023 . 1 1 85 85 VAL HG12 H 1 0.84 . . 1 . . . . . . . . 4117 1 1024 . 1 1 85 85 VAL HG13 H 1 0.84 . . 1 . . . . . . . . 4117 1 1025 . 1 1 85 85 VAL HG21 H 1 0.84 . . 1 . . . . . . . . 4117 1 1026 . 1 1 85 85 VAL HG22 H 1 0.84 . . 1 . . . . . . . . 4117 1 1027 . 1 1 85 85 VAL HG23 H 1 0.84 . . 1 . . . . . . . . 4117 1 1028 . 1 1 85 85 VAL C C 13 175.2 . . 1 . . . . . . . . 4117 1 1029 . 1 1 85 85 VAL CA C 13 62.9 . . 1 . . . . . . . . 4117 1 1030 . 1 1 85 85 VAL CB C 13 30.9 . . 1 . . . . . . . . 4117 1 1031 . 1 1 85 85 VAL CG1 C 13 21.1 . . 2 . . . . . . . . 4117 1 1032 . 1 1 85 85 VAL N N 15 123.0 . . 1 . . . . . . . . 4117 1 1033 . 1 1 86 86 ALA H H 1 9.04 . . 1 . . . . . . . . 4117 1 1034 . 1 1 86 86 ALA HA H 1 4.21 . . 1 . . . . . . . . 4117 1 1035 . 1 1 86 86 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4117 1 1036 . 1 1 86 86 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4117 1 1037 . 1 1 86 86 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4117 1 1038 . 1 1 86 86 ALA C C 13 177.8 . . 1 . . . . . . . . 4117 1 1039 . 1 1 86 86 ALA CA C 13 53.0 . . 1 . . . . . . . . 4117 1 1040 . 1 1 86 86 ALA CB C 13 19.0 . . 1 . . . . . . . . 4117 1 1041 . 1 1 86 86 ALA N N 15 130.6 . . 1 . . . . . . . . 4117 1 1042 . 1 1 87 87 ALA H H 1 7.88 . . 1 . . . . . . . . 4117 1 1043 . 1 1 87 87 ALA HA H 1 4.43 . . 1 . . . . . . . . 4117 1 1044 . 1 1 87 87 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4117 1 1045 . 1 1 87 87 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4117 1 1046 . 1 1 87 87 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4117 1 1047 . 1 1 87 87 ALA C C 13 174.8 . . 1 . . . . . . . . 4117 1 1048 . 1 1 87 87 ALA CA C 13 52.3 . . 1 . . . . . . . . 4117 1 1049 . 1 1 87 87 ALA CB C 13 21.5 . . 1 . . . . . . . . 4117 1 1050 . 1 1 87 87 ALA N N 15 117.8 . . 1 . . . . . . . . 4117 1 1051 . 1 1 88 88 PHE H H 1 8.33 . . 1 . . . . . . . . 4117 1 1052 . 1 1 88 88 PHE HA H 1 5.03 . . 1 . . . . . . . . 4117 1 1053 . 1 1 88 88 PHE HB2 H 1 3.09 . . 2 . . . . . . . . 4117 1 1054 . 1 1 88 88 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 4117 1 1055 . 1 1 88 88 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 4117 1 1056 . 1 1 88 88 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 4117 1 1057 . 1 1 88 88 PHE HZ H 1 7.32 . . 1 . . . . . . . . 4117 1 1058 . 1 1 88 88 PHE C C 13 174.1 . . 1 . . . . . . . . 4117 1 1059 . 1 1 88 88 PHE CA C 13 56.9 . . 1 . . . . . . . . 4117 1 1060 . 1 1 88 88 PHE CB C 13 41.2 . . 1 . . . . . . . . 4117 1 1061 . 1 1 88 88 PHE N N 15 121.4 . . 1 . . . . . . . . 4117 1 1062 . 1 1 89 89 ASN H H 1 8.68 . . 1 . . . . . . . . 4117 1 1063 . 1 1 89 89 ASN HA H 1 4.96 . . 1 . . . . . . . . 4117 1 1064 . 1 1 89 89 ASN HB2 H 1 2.64 . . 2 . . . . . . . . 4117 1 1065 . 1 1 89 89 ASN HB3 H 1 2.51 . . 2 . . . . . . . . 4117 1 1066 . 1 1 89 89 ASN HD21 H 1 6.82 . . 2 . . . . . . . . 4117 1 1067 . 1 1 89 89 ASN HD22 H 1 7.50 . . 2 . . . . . . . . 4117 1 1068 . 1 1 89 89 ASN C C 13 173.5 . . 1 . . . . . . . . 4117 1 1069 . 1 1 89 89 ASN CA C 13 52.3 . . 1 . . . . . . . . 4117 1 1070 . 1 1 89 89 ASN CB C 13 41.9 . . 1 . . . . . . . . 4117 1 1071 . 1 1 89 89 ASN N N 15 122.7 . . 1 . . . . . . . . 4117 1 1072 . 1 1 89 89 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 4117 1 1073 . 1 1 90 90 LYS H H 1 8.55 . . 1 . . . . . . . . 4117 1 1074 . 1 1 90 90 LYS HA H 1 4.50 . . 1 . . . . . . . . 4117 1 1075 . 1 1 90 90 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 4117 1 1076 . 1 1 90 90 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4117 1 1077 . 1 1 90 90 LYS HG2 H 1 1.54 . . 1 . . . . . . . . 4117 1 1078 . 1 1 90 90 LYS HG3 H 1 1.54 . . 1 . . . . . . . . 4117 1 1079 . 1 1 90 90 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4117 1 1080 . 1 1 90 90 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4117 1 1081 . 1 1 90 90 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4117 1 1082 . 1 1 90 90 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4117 1 1083 . 1 1 90 90 LYS C C 13 176.2 . . 1 . . . . . . . . 4117 1 1084 . 1 1 90 90 LYS CA C 13 56.3 . . 1 . . . . . . . . 4117 1 1085 . 1 1 90 90 LYS CB C 13 32.2 . . 1 . . . . . . . . 4117 1 1086 . 1 1 90 90 LYS CG C 13 30.8 . . 1 . . . . . . . . 4117 1 1087 . 1 1 90 90 LYS CD C 13 28.5 . . 1 . . . . . . . . 4117 1 1088 . 1 1 90 90 LYS CE C 13 41.8 . . 1 . . . . . . . . 4117 1 1089 . 1 1 90 90 LYS N N 15 123.4 . . 1 . . . . . . . . 4117 1 1090 . 1 1 91 91 ILE H H 1 7.96 . . 1 . . . . . . . . 4117 1 1091 . 1 1 91 91 ILE HA H 1 4.04 . . 1 . . . . . . . . 4117 1 1092 . 1 1 91 91 ILE HB H 1 1.69 . . 1 . . . . . . . . 4117 1 1093 . 1 1 91 91 ILE HG12 H 1 1.26 . . 2 . . . . . . . . 4117 1 1094 . 1 1 91 91 ILE HG13 H 1 0.83 . . 2 . . . . . . . . 4117 1 1095 . 1 1 91 91 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4117 1 1096 . 1 1 91 91 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4117 1 1097 . 1 1 91 91 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4117 1 1098 . 1 1 91 91 ILE HD11 H 1 0.70 . . 1 . . . . . . . . 4117 1 1099 . 1 1 91 91 ILE HD12 H 1 0.70 . . 1 . . . . . . . . 4117 1 1100 . 1 1 91 91 ILE HD13 H 1 0.70 . . 1 . . . . . . . . 4117 1 1101 . 1 1 91 91 ILE C C 13 176.3 . . 1 . . . . . . . . 4117 1 1102 . 1 1 91 91 ILE CA C 13 63.0 . . 1 . . . . . . . . 4117 1 1103 . 1 1 91 91 ILE CB C 13 39.2 . . 1 . . . . . . . . 4117 1 1104 . 1 1 91 91 ILE CG1 C 13 27.3 . . 1 . . . . . . . . 4117 1 1105 . 1 1 91 91 ILE CG2 C 13 17.7 . . 1 . . . . . . . . 4117 1 1106 . 1 1 91 91 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4117 1 1107 . 1 1 91 91 ILE N N 15 127.8 . . 1 . . . . . . . . 4117 1 stop_ save_