data_6311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6311 _Entry.Title ; Sequence-specific backbone 1H, 13C and 15N assignments of the 25 kDa SPRY domain-containing SOCS box protein 2 (SSB-2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-09-01 _Entry.Accession_date 2004-09-01 _Entry.Last_release_date 2005-02-08 _Entry.Original_release_date 2005-02-08 _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 Shenggen Yao . . . 6311 2 Seth Masters . L . 6311 3 Jian-Guo Zhang . . . 6311 4 Kristen Palmer . R . 6311 5 Jeffrey Babon . J . 6311 6 Douglas Hilton . J . 6311 7 Nicos Nicola . A . 6311 8 Sandra Nicholson . E . 6311 9 Raymond Norton . S . 6311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 188 6311 '13C chemical shifts' 570 6311 '15N chemical shifts' 187 6311 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-02-08 2004-09-01 original author . 6311 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6311 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N assignments of the 25 kDa SPRY domain-containing SOCS box protein 2 (SSB-2) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 69 _Citation.Page_last 70 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shenggen Yao . . . 6311 1 2 Seth Masters . L. . 6311 1 3 Jian-Guo Zhang . . . 6311 1 4 Kristen Palmer . R. . 6311 1 5 Jeffrey Babon . J. . 6311 1 6 Nicos Nicola . A. . 6311 1 7 Sandra Nicholson . E. . 6311 1 8 Raymond Norton . S. . 6311 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignment' 6311 1 'SOCS protein' 6311 1 'SOX box' 6311 1 'SPRY domain' 6311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SSB-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SSB-2 _Assembly.Entry_ID 6311 _Assembly.ID 1 _Assembly.Name 'Spry domain-containing SOCS box protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6311 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 SSB-2 1 $SSB . . . native . . . . . 6311 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Spry domain-containing SOCS box protein 2' system 6311 1 SSB-2 abbreviation 6311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SSB _Entity.Sf_category entity _Entity.Sf_framecode SSB _Entity.Entry_ID 6311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Spry domain-containing SOCS box protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSARQSTPTSQALYSDFSP PEGLEELLSAPPPDLVAQRH HGWNPKDCSENIDVKEGGLC FERRPVAQSTDGVRGKRGYS RGLHAWEISWPLEQRGTHAV VGVATALAPLQADHYAALLG SNSESWGWDIGRGKLYHQSK GLEAPQYPAGPQGEQLVVPE RLLVVLDMEEGTLGYSIGGT YLGPAFRGLKGRTLYPSVSA VWGQCQVRIRYMGERRVEET RRIHRD ; _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 226 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The construct studied includes residues 12-224 of the native sequence of mouse SSB2 together with six (numbered 6 to 11) and seven (numbered 225 to 231)residues from the cleveleage sites at the N- and C-termini, respectively ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AFJ . "Spry Domain-Containing Socs Box Protein 2 (Ssb-2)" . . . . . 100.00 226 100.00 100.00 4.50e-162 . . . . 6311 1 2 no PDB 3EK9 . "Spry Domain-Containing Socs Box Protein 2: Crystal Structure And Residues Critical For Protein Binding" . . . . . 94.25 213 100.00 100.00 3.40e-152 . . . . 6311 1 3 no DBJ BAE28397 . "unnamed protein product [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 4 no GB AAC36017 . "C9 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 5 no GB AAH02005 . "Spsb2 protein [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 6 no GB AAH10305 . "Spsb2 protein [Mus musculus]" . . . . . 95.58 258 98.15 98.15 4.29e-150 . . . . 6311 1 7 no GB AAL57356 . "SPRY domain-containing SOCS box protein SSB-2 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 8 no GB EDK99761 . "splA/ryanodine receptor domain and SOCS box containing 2, isoform CRA_a [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 9 no REF NP_038567 . "SPRY domain-containing SOCS box protein 2 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 10 no REF XP_006505628 . "PREDICTED: SPRY domain-containing SOCS box protein 2 isoform X1 [Mus musculus]" . . . . . 96.02 358 98.16 99.08 2.12e-151 . . . . 6311 1 11 no REF XP_006505629 . "PREDICTED: SPRY domain-containing SOCS box protein 2 isoform X2 [Mus musculus]" . . . . . 84.51 305 100.00 100.00 6.23e-134 . . . . 6311 1 12 no REF XP_006505630 . "PREDICTED: SPRY domain-containing SOCS box protein 2 isoform X3 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 13 no REF XP_006505631 . "PREDICTED: SPRY domain-containing SOCS box protein 2 isoform X4 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 14 no SP O88838 . "RecName: Full=SPRY domain-containing SOCS box protein 2; Short=SSB-2; AltName: Full=Gene-rich cluster protein C9 [Mus musculus]" . . . . . 96.02 264 98.16 99.08 2.59e-152 . . . . 6311 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Spry domain-containing SOCS box protein' common 6311 1 SSB abbreviation 6311 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 6 GLY . 6311 1 2 7 SER . 6311 1 3 8 SER . 6311 1 4 9 ALA . 6311 1 5 10 ARG . 6311 1 6 11 GLN . 6311 1 7 12 SER . 6311 1 8 13 THR . 6311 1 9 14 PRO . 6311 1 10 15 THR . 6311 1 11 16 SER . 6311 1 12 17 GLN . 6311 1 13 18 ALA . 6311 1 14 19 LEU . 6311 1 15 20 TYR . 6311 1 16 21 SER . 6311 1 17 22 ASP . 6311 1 18 23 PHE . 6311 1 19 24 SER . 6311 1 20 25 PRO . 6311 1 21 26 PRO . 6311 1 22 27 GLU . 6311 1 23 28 GLY . 6311 1 24 29 LEU . 6311 1 25 30 GLU . 6311 1 26 31 GLU . 6311 1 27 32 LEU . 6311 1 28 33 LEU . 6311 1 29 34 SER . 6311 1 30 35 ALA . 6311 1 31 36 PRO . 6311 1 32 37 PRO . 6311 1 33 38 PRO . 6311 1 34 39 ASP . 6311 1 35 40 LEU . 6311 1 36 41 VAL . 6311 1 37 42 ALA . 6311 1 38 43 GLN . 6311 1 39 44 ARG . 6311 1 40 45 HIS . 6311 1 41 46 HIS . 6311 1 42 47 GLY . 6311 1 43 48 TRP . 6311 1 44 49 ASN . 6311 1 45 50 PRO . 6311 1 46 51 LYS . 6311 1 47 52 ASP . 6311 1 48 53 CYS . 6311 1 49 54 SER . 6311 1 50 55 GLU . 6311 1 51 56 ASN . 6311 1 52 57 ILE . 6311 1 53 58 ASP . 6311 1 54 59 VAL . 6311 1 55 60 LYS . 6311 1 56 61 GLU . 6311 1 57 62 GLY . 6311 1 58 63 GLY . 6311 1 59 64 LEU . 6311 1 60 65 CYS . 6311 1 61 66 PHE . 6311 1 62 67 GLU . 6311 1 63 68 ARG . 6311 1 64 69 ARG . 6311 1 65 70 PRO . 6311 1 66 71 VAL . 6311 1 67 72 ALA . 6311 1 68 73 GLN . 6311 1 69 74 SER . 6311 1 70 75 THR . 6311 1 71 76 ASP . 6311 1 72 77 GLY . 6311 1 73 78 VAL . 6311 1 74 79 ARG . 6311 1 75 80 GLY . 6311 1 76 81 LYS . 6311 1 77 82 ARG . 6311 1 78 83 GLY . 6311 1 79 84 TYR . 6311 1 80 85 SER . 6311 1 81 86 ARG . 6311 1 82 87 GLY . 6311 1 83 88 LEU . 6311 1 84 89 HIS . 6311 1 85 90 ALA . 6311 1 86 91 TRP . 6311 1 87 92 GLU . 6311 1 88 93 ILE . 6311 1 89 94 SER . 6311 1 90 95 TRP . 6311 1 91 96 PRO . 6311 1 92 97 LEU . 6311 1 93 98 GLU . 6311 1 94 99 GLN . 6311 1 95 100 ARG . 6311 1 96 101 GLY . 6311 1 97 102 THR . 6311 1 98 103 HIS . 6311 1 99 104 ALA . 6311 1 100 105 VAL . 6311 1 101 106 VAL . 6311 1 102 107 GLY . 6311 1 103 108 VAL . 6311 1 104 109 ALA . 6311 1 105 110 THR . 6311 1 106 111 ALA . 6311 1 107 112 LEU . 6311 1 108 113 ALA . 6311 1 109 114 PRO . 6311 1 110 115 LEU . 6311 1 111 116 GLN . 6311 1 112 117 ALA . 6311 1 113 118 ASP . 6311 1 114 119 HIS . 6311 1 115 120 TYR . 6311 1 116 121 ALA . 6311 1 117 122 ALA . 6311 1 118 123 LEU . 6311 1 119 124 LEU . 6311 1 120 125 GLY . 6311 1 121 126 SER . 6311 1 122 127 ASN . 6311 1 123 128 SER . 6311 1 124 129 GLU . 6311 1 125 130 SER . 6311 1 126 131 TRP . 6311 1 127 132 GLY . 6311 1 128 133 TRP . 6311 1 129 134 ASP . 6311 1 130 135 ILE . 6311 1 131 136 GLY . 6311 1 132 137 ARG . 6311 1 133 138 GLY . 6311 1 134 139 LYS . 6311 1 135 140 LEU . 6311 1 136 141 TYR . 6311 1 137 142 HIS . 6311 1 138 143 GLN . 6311 1 139 144 SER . 6311 1 140 145 LYS . 6311 1 141 146 GLY . 6311 1 142 147 LEU . 6311 1 143 148 GLU . 6311 1 144 149 ALA . 6311 1 145 150 PRO . 6311 1 146 151 GLN . 6311 1 147 152 TYR . 6311 1 148 153 PRO . 6311 1 149 154 ALA . 6311 1 150 155 GLY . 6311 1 151 156 PRO . 6311 1 152 157 GLN . 6311 1 153 158 GLY . 6311 1 154 159 GLU . 6311 1 155 160 GLN . 6311 1 156 161 LEU . 6311 1 157 162 VAL . 6311 1 158 163 VAL . 6311 1 159 164 PRO . 6311 1 160 165 GLU . 6311 1 161 166 ARG . 6311 1 162 167 LEU . 6311 1 163 168 LEU . 6311 1 164 169 VAL . 6311 1 165 170 VAL . 6311 1 166 171 LEU . 6311 1 167 172 ASP . 6311 1 168 173 MET . 6311 1 169 174 GLU . 6311 1 170 175 GLU . 6311 1 171 176 GLY . 6311 1 172 177 THR . 6311 1 173 178 LEU . 6311 1 174 179 GLY . 6311 1 175 180 TYR . 6311 1 176 181 SER . 6311 1 177 182 ILE . 6311 1 178 183 GLY . 6311 1 179 184 GLY . 6311 1 180 185 THR . 6311 1 181 186 TYR . 6311 1 182 187 LEU . 6311 1 183 188 GLY . 6311 1 184 189 PRO . 6311 1 185 190 ALA . 6311 1 186 191 PHE . 6311 1 187 192 ARG . 6311 1 188 193 GLY . 6311 1 189 194 LEU . 6311 1 190 195 LYS . 6311 1 191 196 GLY . 6311 1 192 197 ARG . 6311 1 193 198 THR . 6311 1 194 199 LEU . 6311 1 195 200 TYR . 6311 1 196 201 PRO . 6311 1 197 202 SER . 6311 1 198 203 VAL . 6311 1 199 204 SER . 6311 1 200 205 ALA . 6311 1 201 206 VAL . 6311 1 202 207 TRP . 6311 1 203 208 GLY . 6311 1 204 209 GLN . 6311 1 205 210 CYS . 6311 1 206 211 GLN . 6311 1 207 212 VAL . 6311 1 208 213 ARG . 6311 1 209 214 ILE . 6311 1 210 215 ARG . 6311 1 211 216 TYR . 6311 1 212 217 MET . 6311 1 213 218 GLY . 6311 1 214 219 GLU . 6311 1 215 220 ARG . 6311 1 216 221 ARG . 6311 1 217 222 VAL . 6311 1 218 223 GLU . 6311 1 219 224 GLU . 6311 1 220 225 THR . 6311 1 221 226 ARG . 6311 1 222 227 ARG . 6311 1 223 228 ILE . 6311 1 224 229 HIS . 6311 1 225 230 ARG . 6311 1 226 231 ASP . 6311 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6311 1 . SER 2 2 6311 1 . SER 3 3 6311 1 . ALA 4 4 6311 1 . ARG 5 5 6311 1 . GLN 6 6 6311 1 . SER 7 7 6311 1 . THR 8 8 6311 1 . PRO 9 9 6311 1 . THR 10 10 6311 1 . SER 11 11 6311 1 . GLN 12 12 6311 1 . ALA 13 13 6311 1 . LEU 14 14 6311 1 . TYR 15 15 6311 1 . SER 16 16 6311 1 . ASP 17 17 6311 1 . PHE 18 18 6311 1 . SER 19 19 6311 1 . PRO 20 20 6311 1 . PRO 21 21 6311 1 . GLU 22 22 6311 1 . GLY 23 23 6311 1 . LEU 24 24 6311 1 . GLU 25 25 6311 1 . GLU 26 26 6311 1 . LEU 27 27 6311 1 . LEU 28 28 6311 1 . SER 29 29 6311 1 . ALA 30 30 6311 1 . PRO 31 31 6311 1 . PRO 32 32 6311 1 . PRO 33 33 6311 1 . ASP 34 34 6311 1 . LEU 35 35 6311 1 . VAL 36 36 6311 1 . ALA 37 37 6311 1 . GLN 38 38 6311 1 . ARG 39 39 6311 1 . HIS 40 40 6311 1 . HIS 41 41 6311 1 . GLY 42 42 6311 1 . TRP 43 43 6311 1 . ASN 44 44 6311 1 . PRO 45 45 6311 1 . LYS 46 46 6311 1 . ASP 47 47 6311 1 . CYS 48 48 6311 1 . SER 49 49 6311 1 . GLU 50 50 6311 1 . ASN 51 51 6311 1 . ILE 52 52 6311 1 . ASP 53 53 6311 1 . VAL 54 54 6311 1 . LYS 55 55 6311 1 . GLU 56 56 6311 1 . GLY 57 57 6311 1 . GLY 58 58 6311 1 . LEU 59 59 6311 1 . CYS 60 60 6311 1 . PHE 61 61 6311 1 . GLU 62 62 6311 1 . ARG 63 63 6311 1 . ARG 64 64 6311 1 . PRO 65 65 6311 1 . VAL 66 66 6311 1 . ALA 67 67 6311 1 . GLN 68 68 6311 1 . SER 69 69 6311 1 . THR 70 70 6311 1 . ASP 71 71 6311 1 . GLY 72 72 6311 1 . VAL 73 73 6311 1 . ARG 74 74 6311 1 . GLY 75 75 6311 1 . LYS 76 76 6311 1 . ARG 77 77 6311 1 . GLY 78 78 6311 1 . TYR 79 79 6311 1 . SER 80 80 6311 1 . ARG 81 81 6311 1 . GLY 82 82 6311 1 . LEU 83 83 6311 1 . HIS 84 84 6311 1 . ALA 85 85 6311 1 . TRP 86 86 6311 1 . GLU 87 87 6311 1 . ILE 88 88 6311 1 . SER 89 89 6311 1 . TRP 90 90 6311 1 . PRO 91 91 6311 1 . LEU 92 92 6311 1 . GLU 93 93 6311 1 . GLN 94 94 6311 1 . ARG 95 95 6311 1 . GLY 96 96 6311 1 . THR 97 97 6311 1 . HIS 98 98 6311 1 . ALA 99 99 6311 1 . VAL 100 100 6311 1 . VAL 101 101 6311 1 . GLY 102 102 6311 1 . VAL 103 103 6311 1 . ALA 104 104 6311 1 . THR 105 105 6311 1 . ALA 106 106 6311 1 . LEU 107 107 6311 1 . ALA 108 108 6311 1 . PRO 109 109 6311 1 . LEU 110 110 6311 1 . GLN 111 111 6311 1 . ALA 112 112 6311 1 . ASP 113 113 6311 1 . HIS 114 114 6311 1 . TYR 115 115 6311 1 . ALA 116 116 6311 1 . ALA 117 117 6311 1 . LEU 118 118 6311 1 . LEU 119 119 6311 1 . GLY 120 120 6311 1 . SER 121 121 6311 1 . ASN 122 122 6311 1 . SER 123 123 6311 1 . GLU 124 124 6311 1 . SER 125 125 6311 1 . TRP 126 126 6311 1 . GLY 127 127 6311 1 . TRP 128 128 6311 1 . ASP 129 129 6311 1 . ILE 130 130 6311 1 . GLY 131 131 6311 1 . ARG 132 132 6311 1 . GLY 133 133 6311 1 . LYS 134 134 6311 1 . LEU 135 135 6311 1 . TYR 136 136 6311 1 . HIS 137 137 6311 1 . GLN 138 138 6311 1 . SER 139 139 6311 1 . LYS 140 140 6311 1 . GLY 141 141 6311 1 . LEU 142 142 6311 1 . GLU 143 143 6311 1 . ALA 144 144 6311 1 . PRO 145 145 6311 1 . GLN 146 146 6311 1 . TYR 147 147 6311 1 . PRO 148 148 6311 1 . ALA 149 149 6311 1 . GLY 150 150 6311 1 . PRO 151 151 6311 1 . GLN 152 152 6311 1 . GLY 153 153 6311 1 . GLU 154 154 6311 1 . GLN 155 155 6311 1 . LEU 156 156 6311 1 . VAL 157 157 6311 1 . VAL 158 158 6311 1 . PRO 159 159 6311 1 . GLU 160 160 6311 1 . ARG 161 161 6311 1 . LEU 162 162 6311 1 . LEU 163 163 6311 1 . VAL 164 164 6311 1 . VAL 165 165 6311 1 . LEU 166 166 6311 1 . ASP 167 167 6311 1 . MET 168 168 6311 1 . GLU 169 169 6311 1 . GLU 170 170 6311 1 . GLY 171 171 6311 1 . THR 172 172 6311 1 . LEU 173 173 6311 1 . GLY 174 174 6311 1 . TYR 175 175 6311 1 . SER 176 176 6311 1 . ILE 177 177 6311 1 . GLY 178 178 6311 1 . GLY 179 179 6311 1 . THR 180 180 6311 1 . TYR 181 181 6311 1 . LEU 182 182 6311 1 . GLY 183 183 6311 1 . PRO 184 184 6311 1 . ALA 185 185 6311 1 . PHE 186 186 6311 1 . ARG 187 187 6311 1 . GLY 188 188 6311 1 . LEU 189 189 6311 1 . LYS 190 190 6311 1 . GLY 191 191 6311 1 . ARG 192 192 6311 1 . THR 193 193 6311 1 . LEU 194 194 6311 1 . TYR 195 195 6311 1 . PRO 196 196 6311 1 . SER 197 197 6311 1 . VAL 198 198 6311 1 . SER 199 199 6311 1 . ALA 200 200 6311 1 . VAL 201 201 6311 1 . TRP 202 202 6311 1 . GLY 203 203 6311 1 . GLN 204 204 6311 1 . CYS 205 205 6311 1 . GLN 206 206 6311 1 . VAL 207 207 6311 1 . ARG 208 208 6311 1 . ILE 209 209 6311 1 . ARG 210 210 6311 1 . TYR 211 211 6311 1 . MET 212 212 6311 1 . GLY 213 213 6311 1 . GLU 214 214 6311 1 . ARG 215 215 6311 1 . ARG 216 216 6311 1 . VAL 217 217 6311 1 . GLU 218 218 6311 1 . GLU 219 219 6311 1 . THR 220 220 6311 1 . ARG 221 221 6311 1 . ARG 222 222 6311 1 . ILE 223 223 6311 1 . HIS 224 224 6311 1 . ARG 225 225 6311 1 . ASP 226 226 6311 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 6311 _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 $SSB . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6311 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 6311 _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 $SSB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pGEX . . . . . . 6311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6311 _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 'Spry domain-containing SOCS box protein' . . . 1 $SSB . . 0.60 . . mM . . . . 6311 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6311 _Sample.ID 2 _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 'Spry domain-containing SOCS box protein' [U-15N] . . 1 $SSB . . 0.40 . . mM . . . . 6311 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6311 _Sample.ID 3 _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 'Spry domain-containing SOCS box protein' '[U-13C; U-15N]' . . 1 $SSB . . 0.6 . . mM . . . . 6311 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6311 _Sample.ID 4 _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 'Spry domain-containing SOCS box protein' '[U-13C; U-15N; U-70% 2H]' . . 1 $SSB . . 1.0 . . mM . . . . 6311 4 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6311 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 n/a 6311 1 temperature 295 0.2 K 6311 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6311 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker system software' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral process' 6311 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6311 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3 _Software.Details ; Bartels, C., Xia, T-H., Billeter, M., Guntert, P., and Wuthrich, K. (1995) J. Biomol. NMR 6, 1 10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 6311 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6311 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6311 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 6311 1 2 NMR_spectrometer Bruker DRX . 600 . . . 6311 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 6311 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 7 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6311 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6311 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A cryoprobe on the AVANCE500 was used.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6311 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6311 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6311 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6311 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6311 1 . . 2 $sample_2 . 6311 1 . . 3 $sample_3 . 6311 1 . . 4 $sample_4 . 6311 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 3 3 SER C C 13 174.5 0.2 . 1 . . . . . . . . 6311 1 2 . 1 1 3 3 SER CA C 13 58.7 0.2 . 1 . . . . . . . . 6311 1 3 . 1 1 3 3 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 6311 1 4 . 1 1 4 4 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 6311 1 5 . 1 1 4 4 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 6311 1 6 . 1 1 4 4 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 6311 1 7 . 1 1 4 4 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 6311 1 8 . 1 1 4 4 ALA N N 15 126.1 0.2 . 1 . . . . . . . . 6311 1 9 . 1 1 5 5 ARG H H 1 8.28 0.01 . 1 . . . . . . . . 6311 1 10 . 1 1 5 5 ARG C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 11 . 1 1 5 5 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 6311 1 12 . 1 1 5 5 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 6311 1 13 . 1 1 5 5 ARG N N 15 120.3 0.2 . 1 . . . . . . . . 6311 1 14 . 1 1 6 6 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 6311 1 15 . 1 1 6 6 GLN C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 16 . 1 1 6 6 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 6311 1 17 . 1 1 6 6 GLN CB C 13 31.2 0.2 . 1 . . . . . . . . 6311 1 18 . 1 1 6 6 GLN N N 15 124.2 0.2 . 1 . . . . . . . . 6311 1 19 . 1 1 7 7 SER C C 13 174.5 0.2 . 1 . . . . . . . . 6311 1 20 . 1 1 7 7 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 6311 1 21 . 1 1 7 7 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 6311 1 22 . 1 1 8 8 THR H H 1 8.22 0.01 . 1 . . . . . . . . 6311 1 23 . 1 1 8 8 THR C C 13 173.2 0.2 . 1 . . . . . . . . 6311 1 24 . 1 1 8 8 THR N N 15 118.1 0.2 . 1 . . . . . . . . 6311 1 25 . 1 1 9 9 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 6311 1 26 . 1 1 9 9 PRO CA C 13 64.1 0.2 . 1 . . . . . . . . 6311 1 27 . 1 1 9 9 PRO CB C 13 32.4 0.2 . 1 . . . . . . . . 6311 1 28 . 1 1 10 10 THR H H 1 8.24 0.01 . 1 . . . . . . . . 6311 1 29 . 1 1 10 10 THR C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 30 . 1 1 10 10 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 6311 1 31 . 1 1 10 10 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 6311 1 32 . 1 1 10 10 THR N N 15 114.0 0.2 . 1 . . . . . . . . 6311 1 33 . 1 1 11 11 SER H H 1 8.27 0.01 . 1 . . . . . . . . 6311 1 34 . 1 1 11 11 SER C C 13 174.8 0.2 . 1 . . . . . . . . 6311 1 35 . 1 1 11 11 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 6311 1 36 . 1 1 11 11 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 6311 1 37 . 1 1 11 11 SER N N 15 117.7 0.2 . 1 . . . . . . . . 6311 1 38 . 1 1 12 12 GLN H H 1 8.34 0.01 . 1 . . . . . . . . 6311 1 39 . 1 1 12 12 GLN C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 40 . 1 1 12 12 GLN CA C 13 56.2 0.2 . 1 . . . . . . . . 6311 1 41 . 1 1 12 12 GLN CB C 13 29.7 0.2 . 1 . . . . . . . . 6311 1 42 . 1 1 12 12 GLN N N 15 122.2 0.2 . 1 . . . . . . . . 6311 1 43 . 1 1 13 13 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 6311 1 44 . 1 1 13 13 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 6311 1 45 . 1 1 13 13 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 6311 1 46 . 1 1 13 13 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 6311 1 47 . 1 1 13 13 ALA N N 15 125.2 0.2 . 1 . . . . . . . . 6311 1 48 . 1 1 14 14 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 6311 1 49 . 1 1 14 14 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 6311 1 50 . 1 1 14 14 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 6311 1 51 . 1 1 14 14 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 6311 1 52 . 1 1 14 14 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 6311 1 53 . 1 1 15 15 TYR H H 1 8.09 0.01 . 1 . . . . . . . . 6311 1 54 . 1 1 15 15 TYR C C 13 176.0 0.2 . 1 . . . . . . . . 6311 1 55 . 1 1 15 15 TYR CA C 13 57.8 0.2 . 1 . . . . . . . . 6311 1 56 . 1 1 15 15 TYR CB C 13 39.1 0.2 . 1 . . . . . . . . 6311 1 57 . 1 1 15 15 TYR N N 15 120.0 0.2 . 1 . . . . . . . . 6311 1 58 . 1 1 16 16 SER H H 1 8.02 0.01 . 1 . . . . . . . . 6311 1 59 . 1 1 16 16 SER C C 13 174.1 0.2 . 1 . . . . . . . . 6311 1 60 . 1 1 16 16 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 6311 1 61 . 1 1 16 16 SER CB C 13 64.6 0.2 . 1 . . . . . . . . 6311 1 62 . 1 1 16 16 SER N N 15 116.2 0.2 . 1 . . . . . . . . 6311 1 63 . 1 1 17 17 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 6311 1 64 . 1 1 17 17 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 65 . 1 1 17 17 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 6311 1 66 . 1 1 17 17 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 6311 1 67 . 1 1 17 17 ASP N N 15 122.3 0.2 . 1 . . . . . . . . 6311 1 68 . 1 1 18 18 PHE H H 1 7.98 0.01 . 1 . . . . . . . . 6311 1 69 . 1 1 18 18 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 6311 1 70 . 1 1 18 18 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 6311 1 71 . 1 1 18 18 PHE CB C 13 40.5 0.2 . 1 . . . . . . . . 6311 1 72 . 1 1 18 18 PHE N N 15 118.7 0.2 . 1 . . . . . . . . 6311 1 73 . 1 1 19 19 SER H H 1 8.45 0.01 . 1 . . . . . . . . 6311 1 74 . 1 1 19 19 SER C C 13 172.2 0.2 . 1 . . . . . . . . 6311 1 75 . 1 1 19 19 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6311 1 76 . 1 1 19 19 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 6311 1 77 . 1 1 19 19 SER N N 15 126.3 0.2 . 1 . . . . . . . . 6311 1 78 . 1 1 21 21 PRO C C 13 177.1 0.2 . 1 . . . . . . . . 6311 1 79 . 1 1 21 21 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 6311 1 80 . 1 1 21 21 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6311 1 81 . 1 1 22 22 GLU H H 1 8.81 0.01 . 1 . . . . . . . . 6311 1 82 . 1 1 22 22 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 6311 1 83 . 1 1 22 22 GLU CA C 13 58.4 0.2 . 1 . . . . . . . . 6311 1 84 . 1 1 22 22 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 6311 1 85 . 1 1 22 22 GLU N N 15 125.9 0.2 . 1 . . . . . . . . 6311 1 86 . 1 1 23 23 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 6311 1 87 . 1 1 23 23 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 88 . 1 1 23 23 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6311 1 89 . 1 1 23 23 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 6311 1 90 . 1 1 24 24 LEU H H 1 7.47 0.01 . 1 . . . . . . . . 6311 1 91 . 1 1 24 24 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 6311 1 92 . 1 1 24 24 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 6311 1 93 . 1 1 24 24 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 6311 1 94 . 1 1 24 24 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 6311 1 95 . 1 1 25 25 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 6311 1 96 . 1 1 25 25 GLU C C 13 179.7 0.2 . 1 . . . . . . . . 6311 1 97 . 1 1 25 25 GLU CA C 13 59.9 0.2 . 1 . . . . . . . . 6311 1 98 . 1 1 25 25 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 6311 1 99 . 1 1 25 25 GLU N N 15 117.7 0.2 . 1 . . . . . . . . 6311 1 100 . 1 1 26 26 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 6311 1 101 . 1 1 26 26 GLU C C 13 179.5 0.2 . 1 . . . . . . . . 6311 1 102 . 1 1 26 26 GLU CA C 13 60.0 0.2 . 1 . . . . . . . . 6311 1 103 . 1 1 26 26 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 6311 1 104 . 1 1 26 26 GLU N N 15 120.3 0.2 . 1 . . . . . . . . 6311 1 105 . 1 1 27 27 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 6311 1 106 . 1 1 27 27 LEU C C 13 179.8 0.2 . 1 . . . . . . . . 6311 1 107 . 1 1 27 27 LEU CA C 13 58.9 0.2 . 1 . . . . . . . . 6311 1 108 . 1 1 27 27 LEU CB C 13 43.0 0.2 . 1 . . . . . . . . 6311 1 109 . 1 1 27 27 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 6311 1 110 . 1 1 28 28 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 6311 1 111 . 1 1 28 28 LEU C C 13 178.2 0.2 . 1 . . . . . . . . 6311 1 112 . 1 1 28 28 LEU CA C 13 56.1 0.2 . 1 . . . . . . . . 6311 1 113 . 1 1 28 28 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 6311 1 114 . 1 1 28 28 LEU N N 15 117.7 0.2 . 1 . . . . . . . . 6311 1 115 . 1 1 29 29 SER H H 1 7.59 0.01 . 1 . . . . . . . . 6311 1 116 . 1 1 29 29 SER C C 13 173.9 0.2 . 1 . . . . . . . . 6311 1 117 . 1 1 29 29 SER CA C 13 59.0 0.2 . 1 . . . . . . . . 6311 1 118 . 1 1 29 29 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 6311 1 119 . 1 1 29 29 SER N N 15 113.5 0.2 . 1 . . . . . . . . 6311 1 120 . 1 1 30 30 ALA H H 1 7.02 0.01 . 1 . . . . . . . . 6311 1 121 . 1 1 30 30 ALA C C 13 174.5 0.2 . 1 . . . . . . . . 6311 1 122 . 1 1 30 30 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 6311 1 123 . 1 1 30 30 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 6311 1 124 . 1 1 30 30 ALA N N 15 126.9 0.2 . 1 . . . . . . . . 6311 1 125 . 1 1 33 33 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 126 . 1 1 33 33 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 6311 1 127 . 1 1 33 33 PRO CB C 13 32.7 0.2 . 1 . . . . . . . . 6311 1 128 . 1 1 34 34 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 6311 1 129 . 1 1 34 34 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 130 . 1 1 34 34 ASP CA C 13 53.2 0.2 . 1 . . . . . . . . 6311 1 131 . 1 1 34 34 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 6311 1 132 . 1 1 34 34 ASP N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 133 . 1 1 35 35 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 6311 1 134 . 1 1 35 35 LEU C C 13 178.7 0.2 . 1 . . . . . . . . 6311 1 135 . 1 1 35 35 LEU CA C 13 58.9 0.2 . 1 . . . . . . . . 6311 1 136 . 1 1 35 35 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 6311 1 137 . 1 1 35 35 LEU N N 15 118.7 0.2 . 1 . . . . . . . . 6311 1 138 . 1 1 36 36 VAL H H 1 7.37 0.01 . 1 . . . . . . . . 6311 1 139 . 1 1 36 36 VAL C C 13 179.2 0.2 . 1 . . . . . . . . 6311 1 140 . 1 1 36 36 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 6311 1 141 . 1 1 36 36 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 6311 1 142 . 1 1 36 36 VAL N N 15 117.6 0.2 . 1 . . . . . . . . 6311 1 143 . 1 1 37 37 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 6311 1 144 . 1 1 37 37 ALA C C 13 180.8 0.2 . 1 . . . . . . . . 6311 1 145 . 1 1 37 37 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 6311 1 146 . 1 1 37 37 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 6311 1 147 . 1 1 37 37 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 148 . 1 1 38 38 GLN H H 1 8.94 0.01 . 1 . . . . . . . . 6311 1 149 . 1 1 38 38 GLN C C 13 180.6 0.2 . 1 . . . . . . . . 6311 1 150 . 1 1 38 38 GLN CA C 13 60.4 0.2 . 1 . . . . . . . . 6311 1 151 . 1 1 38 38 GLN CB C 13 29.9 0.2 . 1 . . . . . . . . 6311 1 152 . 1 1 38 38 GLN N N 15 116.3 0.2 . 1 . . . . . . . . 6311 1 153 . 1 1 39 39 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6311 1 154 . 1 1 39 39 ARG C C 13 180.6 0.2 . 1 . . . . . . . . 6311 1 155 . 1 1 39 39 ARG CA C 13 61.2 0.2 . 1 . . . . . . . . 6311 1 156 . 1 1 39 39 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 6311 1 157 . 1 1 39 39 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 6311 1 158 . 1 1 40 40 HIS H H 1 8.13 0.01 . 1 . . . . . . . . 6311 1 159 . 1 1 40 40 HIS C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 160 . 1 1 40 40 HIS CA C 13 59.5 0.2 . 1 . . . . . . . . 6311 1 161 . 1 1 40 40 HIS CB C 13 30.5 0.2 . 1 . . . . . . . . 6311 1 162 . 1 1 40 40 HIS N N 15 122.3 0.2 . 1 . . . . . . . . 6311 1 163 . 1 1 41 41 HIS H H 1 7.32 0.01 . 1 . . . . . . . . 6311 1 164 . 1 1 41 41 HIS C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 165 . 1 1 41 41 HIS CA C 13 56.5 0.2 . 1 . . . . . . . . 6311 1 166 . 1 1 41 41 HIS CB C 13 32.3 0.2 . 1 . . . . . . . . 6311 1 167 . 1 1 41 41 HIS N N 15 114.3 0.2 . 1 . . . . . . . . 6311 1 168 . 1 1 42 42 GLY H H 1 7.11 0.01 . 1 . . . . . . . . 6311 1 169 . 1 1 42 42 GLY C C 13 172.1 0.2 . 1 . . . . . . . . 6311 1 170 . 1 1 42 42 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 6311 1 171 . 1 1 42 42 GLY N N 15 106.4 0.2 . 1 . . . . . . . . 6311 1 172 . 1 1 43 43 TRP H H 1 9.26 0.01 . 1 . . . . . . . . 6311 1 173 . 1 1 43 43 TRP C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 174 . 1 1 43 43 TRP CA C 13 56.8 0.2 . 1 . . . . . . . . 6311 1 175 . 1 1 43 43 TRP CB C 13 29.4 0.2 . 1 . . . . . . . . 6311 1 176 . 1 1 43 43 TRP N N 15 118.7 0.2 . 1 . . . . . . . . 6311 1 177 . 1 1 44 44 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6311 1 178 . 1 1 44 44 ASN C C 13 174.5 0.2 . 1 . . . . . . . . 6311 1 179 . 1 1 44 44 ASN CA C 13 50.0 0.2 . 1 . . . . . . . . 6311 1 180 . 1 1 44 44 ASN CB C 13 40.4 0.2 . 1 . . . . . . . . 6311 1 181 . 1 1 44 44 ASN N N 15 117.6 0.2 . 1 . . . . . . . . 6311 1 182 . 1 1 45 45 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 6311 1 183 . 1 1 45 45 PRO CA C 13 64.3 0.2 . 1 . . . . . . . . 6311 1 184 . 1 1 45 45 PRO CB C 13 32.9 0.2 . 1 . . . . . . . . 6311 1 185 . 1 1 46 46 LYS H H 1 7.54 0.01 . 1 . . . . . . . . 6311 1 186 . 1 1 46 46 LYS C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 187 . 1 1 46 46 LYS CA C 13 54.9 0.2 . 1 . . . . . . . . 6311 1 188 . 1 1 46 46 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 6311 1 189 . 1 1 46 46 LYS N N 15 113.8 0.2 . 1 . . . . . . . . 6311 1 190 . 1 1 47 47 ASP H H 1 7.60 0.01 . 1 . . . . . . . . 6311 1 191 . 1 1 47 47 ASP C C 13 171.3 0.2 . 1 . . . . . . . . 6311 1 192 . 1 1 47 47 ASP CA C 13 52.2 0.2 . 1 . . . . . . . . 6311 1 193 . 1 1 47 47 ASP CB C 13 40.1 0.2 . 1 . . . . . . . . 6311 1 194 . 1 1 47 47 ASP N N 15 122.8 0.2 . 1 . . . . . . . . 6311 1 195 . 1 1 48 48 CYS H H 1 7.59 0.01 . 1 . . . . . . . . 6311 1 196 . 1 1 48 48 CYS C C 13 173.4 0.2 . 1 . . . . . . . . 6311 1 197 . 1 1 48 48 CYS CA C 13 56.2 0.2 . 1 . . . . . . . . 6311 1 198 . 1 1 48 48 CYS CB C 13 31.5 0.2 . 1 . . . . . . . . 6311 1 199 . 1 1 48 48 CYS N N 15 113.5 0.2 . 1 . . . . . . . . 6311 1 200 . 1 1 49 49 SER H H 1 7.96 0.01 . 1 . . . . . . . . 6311 1 201 . 1 1 49 49 SER C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 202 . 1 1 49 49 SER CA C 13 57.3 0.2 . 1 . . . . . . . . 6311 1 203 . 1 1 49 49 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 6311 1 204 . 1 1 49 49 SER N N 15 115.4 0.2 . 1 . . . . . . . . 6311 1 205 . 1 1 50 50 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 6311 1 206 . 1 1 50 50 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 6311 1 207 . 1 1 50 50 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 6311 1 208 . 1 1 50 50 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 6311 1 209 . 1 1 50 50 GLU N N 15 126.4 0.2 . 1 . . . . . . . . 6311 1 210 . 1 1 51 51 ASN H H 1 8.31 0.01 . 1 . . . . . . . . 6311 1 211 . 1 1 51 51 ASN C C 13 174.9 0.2 . 1 . . . . . . . . 6311 1 212 . 1 1 51 51 ASN CA C 13 52.7 0.2 . 1 . . . . . . . . 6311 1 213 . 1 1 51 51 ASN CB C 13 38.2 0.2 . 1 . . . . . . . . 6311 1 214 . 1 1 51 51 ASN N N 15 114.3 0.2 . 1 . . . . . . . . 6311 1 215 . 1 1 52 52 ILE H H 1 7.60 0.01 . 1 . . . . . . . . 6311 1 216 . 1 1 52 52 ILE C C 13 173.0 0.2 . 1 . . . . . . . . 6311 1 217 . 1 1 52 52 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 6311 1 218 . 1 1 52 52 ILE CB C 13 40.5 0.2 . 1 . . . . . . . . 6311 1 219 . 1 1 52 52 ILE N N 15 120.6 0.2 . 1 . . . . . . . . 6311 1 220 . 1 1 53 53 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 6311 1 221 . 1 1 53 53 ASP C C 13 175.5 0.2 . 1 . . . . . . . . 6311 1 222 . 1 1 53 53 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 6311 1 223 . 1 1 53 53 ASP CB C 13 43.5 0.2 . 1 . . . . . . . . 6311 1 224 . 1 1 53 53 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 6311 1 225 . 1 1 54 54 VAL H H 1 9.27 0.01 . 1 . . . . . . . . 6311 1 226 . 1 1 54 54 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 227 . 1 1 54 54 VAL CA C 13 64.4 0.2 . 1 . . . . . . . . 6311 1 228 . 1 1 54 54 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 6311 1 229 . 1 1 54 54 VAL N N 15 126.1 0.2 . 1 . . . . . . . . 6311 1 230 . 1 1 55 55 LYS H H 1 9.16 0.01 . 1 . . . . . . . . 6311 1 231 . 1 1 55 55 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 6311 1 232 . 1 1 55 55 LYS CA C 13 55.0 0.2 . 1 . . . . . . . . 6311 1 233 . 1 1 55 55 LYS CB C 13 36.9 0.2 . 1 . . . . . . . . 6311 1 234 . 1 1 55 55 LYS N N 15 128.0 0.2 . 1 . . . . . . . . 6311 1 235 . 1 1 56 56 GLU H H 1 9.33 0.01 . 1 . . . . . . . . 6311 1 236 . 1 1 56 56 GLU C C 13 178.6 0.2 . 1 . . . . . . . . 6311 1 237 . 1 1 56 56 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 6311 1 238 . 1 1 56 56 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 6311 1 239 . 1 1 56 56 GLU N N 15 116.5 0.2 . 1 . . . . . . . . 6311 1 240 . 1 1 57 57 GLY H H 1 8.99 0.01 . 1 . . . . . . . . 6311 1 241 . 1 1 57 57 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 6311 1 242 . 1 1 57 57 GLY CA C 13 47.0 0.2 . 1 . . . . . . . . 6311 1 243 . 1 1 57 57 GLY N N 15 106.4 0.2 . 1 . . . . . . . . 6311 1 244 . 1 1 58 58 GLY H H 1 7.85 0.01 . 1 . . . . . . . . 6311 1 245 . 1 1 58 58 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 6311 1 246 . 1 1 58 58 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 6311 1 247 . 1 1 58 58 GLY N N 15 102.7 0.2 . 1 . . . . . . . . 6311 1 248 . 1 1 59 59 LEU H H 1 7.23 0.01 . 1 . . . . . . . . 6311 1 249 . 1 1 59 59 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 6311 1 250 . 1 1 59 59 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 6311 1 251 . 1 1 59 59 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 6311 1 252 . 1 1 59 59 LEU N N 15 116.1 0.2 . 1 . . . . . . . . 6311 1 253 . 1 1 60 60 CYS H H 1 7.80 0.01 . 1 . . . . . . . . 6311 1 254 . 1 1 60 60 CYS C C 13 172.8 0.2 . 1 . . . . . . . . 6311 1 255 . 1 1 60 60 CYS CA C 13 56.3 0.2 . 1 . . . . . . . . 6311 1 256 . 1 1 60 60 CYS CB C 13 31.1 0.2 . 1 . . . . . . . . 6311 1 257 . 1 1 60 60 CYS N N 15 110.8 0.2 . 1 . . . . . . . . 6311 1 258 . 1 1 61 61 PHE H H 1 8.27 0.01 . 1 . . . . . . . . 6311 1 259 . 1 1 61 61 PHE C C 13 176.1 0.2 . 1 . . . . . . . . 6311 1 260 . 1 1 61 61 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 6311 1 261 . 1 1 61 61 PHE CB C 13 41.3 0.2 . 1 . . . . . . . . 6311 1 262 . 1 1 61 61 PHE N N 15 122.5 0.2 . 1 . . . . . . . . 6311 1 263 . 1 1 62 62 GLU H H 1 9.13 0.01 . 1 . . . . . . . . 6311 1 264 . 1 1 62 62 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 6311 1 265 . 1 1 62 62 GLU CA C 13 53.7 0.2 . 1 . . . . . . . . 6311 1 266 . 1 1 62 62 GLU N N 15 120.3 0.2 . 1 . . . . . . . . 6311 1 267 . 1 1 65 65 PRO C C 13 175.5 0.2 . 1 . . . . . . . . 6311 1 268 . 1 1 65 65 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 6311 1 269 . 1 1 65 65 PRO CB C 13 29.1 0.2 . 1 . . . . . . . . 6311 1 270 . 1 1 66 66 VAL H H 1 7.82 0.01 . 1 . . . . . . . . 6311 1 271 . 1 1 66 66 VAL C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 272 . 1 1 66 66 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 6311 1 273 . 1 1 66 66 VAL CB C 13 33.9 0.2 . 1 . . . . . . . . 6311 1 274 . 1 1 66 66 VAL N N 15 123.6 0.2 . 1 . . . . . . . . 6311 1 275 . 1 1 67 67 ALA H H 1 8.55 0.01 . 1 . . . . . . . . 6311 1 276 . 1 1 67 67 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 6311 1 277 . 1 1 67 67 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 6311 1 278 . 1 1 67 67 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 6311 1 279 . 1 1 71 71 ASP H H 1 8.75 0.01 . 1 . . . . . . . . 6311 1 280 . 1 1 71 71 ASP C C 13 173.8 0.2 . 1 . . . . . . . . 6311 1 281 . 1 1 71 71 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 6311 1 282 . 1 1 71 71 ASP CB C 13 42.7 0.2 . 1 . . . . . . . . 6311 1 283 . 1 1 71 71 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 6311 1 284 . 1 1 72 72 GLY H H 1 9.35 0.01 . 1 . . . . . . . . 6311 1 285 . 1 1 72 72 GLY C C 13 170.8 0.2 . 1 . . . . . . . . 6311 1 286 . 1 1 72 72 GLY CA C 13 43.3 0.2 . 1 . . . . . . . . 6311 1 287 . 1 1 72 72 GLY N N 15 110.6 0.2 . 1 . . . . . . . . 6311 1 288 . 1 1 73 73 VAL H H 1 6.87 0.01 . 1 . . . . . . . . 6311 1 289 . 1 1 73 73 VAL C C 13 172.8 0.2 . 1 . . . . . . . . 6311 1 290 . 1 1 73 73 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 6311 1 291 . 1 1 73 73 VAL CB C 13 33.6 0.2 . 1 . . . . . . . . 6311 1 292 . 1 1 73 73 VAL N N 15 113.7 0.2 . 1 . . . . . . . . 6311 1 293 . 1 1 74 74 ARG H H 1 7.94 0.01 . 1 . . . . . . . . 6311 1 294 . 1 1 74 74 ARG C C 13 177.6 0.2 . 1 . . . . . . . . 6311 1 295 . 1 1 74 74 ARG CA C 13 55.1 0.2 . 1 . . . . . . . . 6311 1 296 . 1 1 74 74 ARG CB C 13 35.2 0.2 . 1 . . . . . . . . 6311 1 297 . 1 1 74 74 ARG N N 15 126.3 0.2 . 1 . . . . . . . . 6311 1 298 . 1 1 75 75 GLY H H 1 8.77 0.01 . 1 . . . . . . . . 6311 1 299 . 1 1 75 75 GLY C C 13 173.1 0.2 . 1 . . . . . . . . 6311 1 300 . 1 1 75 75 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 6311 1 301 . 1 1 75 75 GLY N N 15 104.0 0.2 . 1 . . . . . . . . 6311 1 302 . 1 1 76 76 LYS H H 1 8.72 0.01 . 1 . . . . . . . . 6311 1 303 . 1 1 76 76 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 6311 1 304 . 1 1 76 76 LYS CA C 13 59.7 0.2 . 1 . . . . . . . . 6311 1 305 . 1 1 76 76 LYS CB C 13 35.8 0.2 . 1 . . . . . . . . 6311 1 306 . 1 1 76 76 LYS N N 15 118.1 0.2 . 1 . . . . . . . . 6311 1 307 . 1 1 77 77 ARG H H 1 8.80 0.01 . 1 . . . . . . . . 6311 1 308 . 1 1 77 77 ARG C C 13 171.5 0.2 . 1 . . . . . . . . 6311 1 309 . 1 1 77 77 ARG CA C 13 53.5 0.2 . 1 . . . . . . . . 6311 1 310 . 1 1 77 77 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 6311 1 311 . 1 1 77 77 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 312 . 1 1 78 78 GLY H H 1 7.24 0.01 . 1 . . . . . . . . 6311 1 313 . 1 1 78 78 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 6311 1 314 . 1 1 78 78 GLY CA C 13 41.8 0.2 . 1 . . . . . . . . 6311 1 315 . 1 1 78 78 GLY N N 15 106.1 0.2 . 1 . . . . . . . . 6311 1 316 . 1 1 79 79 TYR H H 1 8.83 0.01 . 1 . . . . . . . . 6311 1 317 . 1 1 79 79 TYR C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 318 . 1 1 79 79 TYR CA C 13 56.3 0.2 . 1 . . . . . . . . 6311 1 319 . 1 1 79 79 TYR CB C 13 39.4 0.2 . 1 . . . . . . . . 6311 1 320 . 1 1 79 79 TYR N N 15 126.9 0.2 . 1 . . . . . . . . 6311 1 321 . 1 1 80 80 SER H H 1 9.25 0.01 . 1 . . . . . . . . 6311 1 322 . 1 1 80 80 SER C C 13 173.8 0.2 . 1 . . . . . . . . 6311 1 323 . 1 1 80 80 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 6311 1 324 . 1 1 80 80 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 6311 1 325 . 1 1 80 80 SER N N 15 115.7 0.2 . 1 . . . . . . . . 6311 1 326 . 1 1 81 81 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 6311 1 327 . 1 1 81 81 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 328 . 1 1 81 81 ARG CA C 13 54.1 0.2 . 1 . . . . . . . . 6311 1 329 . 1 1 81 81 ARG CB C 13 33.4 0.2 . 1 . . . . . . . . 6311 1 330 . 1 1 81 81 ARG N N 15 121.2 0.2 . 1 . . . . . . . . 6311 1 331 . 1 1 82 82 GLY H H 1 9.85 0.01 . 1 . . . . . . . . 6311 1 332 . 1 1 82 82 GLY C C 13 171.2 0.2 . 1 . . . . . . . . 6311 1 333 . 1 1 82 82 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 6311 1 334 . 1 1 82 82 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 6311 1 335 . 1 1 83 83 LEU H H 1 7.73 0.01 . 1 . . . . . . . . 6311 1 336 . 1 1 83 83 LEU C C 13 174.3 0.2 . 1 . . . . . . . . 6311 1 337 . 1 1 83 83 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 6311 1 338 . 1 1 83 83 LEU CB C 13 43.8 0.2 . 1 . . . . . . . . 6311 1 339 . 1 1 83 83 LEU N N 15 120.9 0.2 . 1 . . . . . . . . 6311 1 340 . 1 1 84 84 HIS H H 1 9.01 0.01 . 1 . . . . . . . . 6311 1 341 . 1 1 84 84 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 6311 1 342 . 1 1 84 84 HIS CA C 13 54.4 0.2 . 1 . . . . . . . . 6311 1 343 . 1 1 84 84 HIS CB C 13 36.5 0.2 . 1 . . . . . . . . 6311 1 344 . 1 1 84 84 HIS N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 345 . 1 1 85 85 ALA H H 1 7.58 0.01 . 1 . . . . . . . . 6311 1 346 . 1 1 85 85 ALA C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 347 . 1 1 85 85 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 6311 1 348 . 1 1 85 85 ALA CB C 13 22.2 0.2 . 1 . . . . . . . . 6311 1 349 . 1 1 85 85 ALA N N 15 118.6 0.2 . 1 . . . . . . . . 6311 1 350 . 1 1 86 86 TRP H H 1 8.48 0.01 . 1 . . . . . . . . 6311 1 351 . 1 1 86 86 TRP C C 13 172.1 0.2 . 1 . . . . . . . . 6311 1 352 . 1 1 86 86 TRP CA C 13 56.8 0.2 . 1 . . . . . . . . 6311 1 353 . 1 1 86 86 TRP CB C 13 31.6 0.2 . 1 . . . . . . . . 6311 1 354 . 1 1 86 86 TRP N N 15 116.2 0.2 . 1 . . . . . . . . 6311 1 355 . 1 1 87 87 GLU H H 1 9.24 0.01 . 1 . . . . . . . . 6311 1 356 . 1 1 87 87 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 357 . 1 1 87 87 GLU CA C 13 54.7 0.2 . 1 . . . . . . . . 6311 1 358 . 1 1 87 87 GLU CB C 13 33.9 0.2 . 1 . . . . . . . . 6311 1 359 . 1 1 87 87 GLU N N 15 123.2 0.2 . 1 . . . . . . . . 6311 1 360 . 1 1 88 88 ILE H H 1 9.59 0.01 . 1 . . . . . . . . 6311 1 361 . 1 1 88 88 ILE C C 13 175.7 0.2 . 1 . . . . . . . . 6311 1 362 . 1 1 88 88 ILE CA C 13 56.9 0.2 . 1 . . . . . . . . 6311 1 363 . 1 1 88 88 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 6311 1 364 . 1 1 88 88 ILE N N 15 130.0 0.2 . 1 . . . . . . . . 6311 1 365 . 1 1 89 89 SER H H 1 8.50 0.01 . 1 . . . . . . . . 6311 1 366 . 1 1 89 89 SER C C 13 173.8 0.2 . 1 . . . . . . . . 6311 1 367 . 1 1 89 89 SER CA C 13 57.1 0.2 . 1 . . . . . . . . 6311 1 368 . 1 1 89 89 SER CB C 13 64.9 0.2 . 1 . . . . . . . . 6311 1 369 . 1 1 89 89 SER N N 15 120.9 0.2 . 1 . . . . . . . . 6311 1 370 . 1 1 90 90 TRP H H 1 9.45 0.01 . 1 . . . . . . . . 6311 1 371 . 1 1 90 90 TRP C C 13 173.1 0.2 . 1 . . . . . . . . 6311 1 372 . 1 1 90 90 TRP CA C 13 53.0 0.2 . 1 . . . . . . . . 6311 1 373 . 1 1 90 90 TRP CB C 13 31.0 0.2 . 1 . . . . . . . . 6311 1 374 . 1 1 90 90 TRP N N 15 127.7 0.2 . 1 . . . . . . . . 6311 1 375 . 1 1 91 91 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 6311 1 376 . 1 1 91 91 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 6311 1 377 . 1 1 91 91 PRO CB C 13 32.9 0.2 . 1 . . . . . . . . 6311 1 378 . 1 1 92 92 LEU H H 1 8.76 0.01 . 1 . . . . . . . . 6311 1 379 . 1 1 92 92 LEU C C 13 179.6 0.2 . 1 . . . . . . . . 6311 1 380 . 1 1 92 92 LEU CA C 13 59.7 0.2 . 1 . . . . . . . . 6311 1 381 . 1 1 92 92 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 6311 1 382 . 1 1 92 92 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 6311 1 383 . 1 1 93 93 GLU H H 1 9.25 0.01 . 1 . . . . . . . . 6311 1 384 . 1 1 93 93 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 6311 1 385 . 1 1 93 93 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 6311 1 386 . 1 1 93 93 GLU CB C 13 27.9 0.2 . 1 . . . . . . . . 6311 1 387 . 1 1 93 93 GLU N N 15 115.7 0.2 . 1 . . . . . . . . 6311 1 388 . 1 1 94 94 GLN H H 1 7.37 0.01 . 1 . . . . . . . . 6311 1 389 . 1 1 94 94 GLN C C 13 175.7 0.2 . 1 . . . . . . . . 6311 1 390 . 1 1 94 94 GLN CA C 13 53.3 0.2 . 1 . . . . . . . . 6311 1 391 . 1 1 94 94 GLN N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 392 . 1 1 95 95 ARG H H 1 6.80 0.01 . 1 . . . . . . . . 6311 1 393 . 1 1 95 95 ARG C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 394 . 1 1 95 95 ARG CA C 13 58.2 0.2 . 1 . . . . . . . . 6311 1 395 . 1 1 95 95 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6311 1 396 . 1 1 95 95 ARG N N 15 119.2 0.2 . 1 . . . . . . . . 6311 1 397 . 1 1 96 96 GLY H H 1 7.95 0.01 . 1 . . . . . . . . 6311 1 398 . 1 1 96 96 GLY C C 13 175.5 0.2 . 1 . . . . . . . . 6311 1 399 . 1 1 96 96 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6311 1 400 . 1 1 96 96 GLY N N 15 106.1 0.2 . 1 . . . . . . . . 6311 1 401 . 1 1 97 97 THR H H 1 8.04 0.01 . 1 . . . . . . . . 6311 1 402 . 1 1 97 97 THR C C 13 175.3 0.2 . 1 . . . . . . . . 6311 1 403 . 1 1 97 97 THR CA C 13 64.0 0.2 . 1 . . . . . . . . 6311 1 404 . 1 1 97 97 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 6311 1 405 . 1 1 97 97 THR N N 15 111.6 0.2 . 1 . . . . . . . . 6311 1 406 . 1 1 100 100 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 6311 1 407 . 1 1 100 100 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 6311 1 408 . 1 1 100 100 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 6311 1 409 . 1 1 100 100 VAL N N 15 120.9 0.2 . 1 . . . . . . . . 6311 1 410 . 1 1 101 101 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 6311 1 411 . 1 1 101 101 VAL C C 13 178.4 0.2 . 1 . . . . . . . . 6311 1 412 . 1 1 101 101 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 6311 1 413 . 1 1 101 101 VAL CB C 13 35.9 0.2 . 1 . . . . . . . . 6311 1 414 . 1 1 101 101 VAL N N 15 123.6 0.2 . 1 . . . . . . . . 6311 1 415 . 1 1 102 102 GLY H H 1 9.17 0.01 . 1 . . . . . . . . 6311 1 416 . 1 1 102 102 GLY C C 13 172.5 0.2 . 1 . . . . . . . . 6311 1 417 . 1 1 102 102 GLY CA C 13 48.4 0.2 . 1 . . . . . . . . 6311 1 418 . 1 1 102 102 GLY N N 15 118.4 0.2 . 1 . . . . . . . . 6311 1 419 . 1 1 103 103 VAL H H 1 9.47 0.01 . 1 . . . . . . . . 6311 1 420 . 1 1 103 103 VAL C C 13 173.8 0.2 . 1 . . . . . . . . 6311 1 421 . 1 1 103 103 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 6311 1 422 . 1 1 103 103 VAL CB C 13 38.9 0.2 . 1 . . . . . . . . 6311 1 423 . 1 1 103 103 VAL N N 15 120.3 0.2 . 1 . . . . . . . . 6311 1 424 . 1 1 104 104 ALA H H 1 9.25 0.01 . 1 . . . . . . . . 6311 1 425 . 1 1 104 104 ALA C C 13 178.3 0.2 . 1 . . . . . . . . 6311 1 426 . 1 1 104 104 ALA CA C 13 51.4 0.2 . 1 . . . . . . . . 6311 1 427 . 1 1 104 104 ALA CB C 13 24.4 0.2 . 1 . . . . . . . . 6311 1 428 . 1 1 104 104 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 6311 1 429 . 1 1 105 105 THR H H 1 9.23 0.01 . 1 . . . . . . . . 6311 1 430 . 1 1 105 105 THR C C 13 176.4 0.2 . 1 . . . . . . . . 6311 1 431 . 1 1 105 105 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 6311 1 432 . 1 1 105 105 THR CB C 13 71.0 0.2 . 1 . . . . . . . . 6311 1 433 . 1 1 105 105 THR N N 15 111.6 0.2 . 1 . . . . . . . . 6311 1 434 . 1 1 106 106 ALA H H 1 9.45 0.01 . 1 . . . . . . . . 6311 1 435 . 1 1 106 106 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 436 . 1 1 106 106 ALA CA C 13 53.9 0.2 . 1 . . . . . . . . 6311 1 437 . 1 1 106 106 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 6311 1 438 . 1 1 106 106 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 6311 1 439 . 1 1 107 107 LEU H H 1 7.84 0.01 . 1 . . . . . . . . 6311 1 440 . 1 1 107 107 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 6311 1 441 . 1 1 107 107 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 6311 1 442 . 1 1 107 107 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 6311 1 443 . 1 1 107 107 LEU N N 15 113.1 0.2 . 1 . . . . . . . . 6311 1 444 . 1 1 108 108 ALA H H 1 6.65 0.01 . 1 . . . . . . . . 6311 1 445 . 1 1 108 108 ALA C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 446 . 1 1 108 108 ALA CA C 13 51.4 0.2 . 1 . . . . . . . . 6311 1 447 . 1 1 108 108 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 6311 1 448 . 1 1 108 108 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 6311 1 449 . 1 1 109 109 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 6311 1 450 . 1 1 109 109 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 6311 1 451 . 1 1 109 109 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 6311 1 452 . 1 1 110 110 LEU H H 1 8.36 0.01 . 1 . . . . . . . . 6311 1 453 . 1 1 110 110 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 454 . 1 1 110 110 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 6311 1 455 . 1 1 110 110 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 6311 1 456 . 1 1 110 110 LEU N N 15 116.5 0.2 . 1 . . . . . . . . 6311 1 457 . 1 1 111 111 GLN H H 1 7.21 0.01 . 1 . . . . . . . . 6311 1 458 . 1 1 111 111 GLN C C 13 174.8 0.2 . 1 . . . . . . . . 6311 1 459 . 1 1 111 111 GLN CA C 13 55.7 0.2 . 1 . . . . . . . . 6311 1 460 . 1 1 111 111 GLN CB C 13 32.4 0.2 . 1 . . . . . . . . 6311 1 461 . 1 1 111 111 GLN N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 462 . 1 1 112 112 ALA H H 1 8.55 0.01 . 1 . . . . . . . . 6311 1 463 . 1 1 112 112 ALA C C 13 176.6 0.2 . 1 . . . . . . . . 6311 1 464 . 1 1 112 112 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 6311 1 465 . 1 1 112 112 ALA CB C 13 22.3 0.2 . 1 . . . . . . . . 6311 1 466 . 1 1 112 112 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 467 . 1 1 113 113 ASP H H 1 8.39 0.01 . 1 . . . . . . . . 6311 1 468 . 1 1 113 113 ASP C C 13 177.1 0.2 . 1 . . . . . . . . 6311 1 469 . 1 1 113 113 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 470 . 1 1 113 113 ASP N N 15 122.0 0.2 . 1 . . . . . . . . 6311 1 471 . 1 1 114 114 HIS C C 13 176.5 0.2 . 1 . . . . . . . . 6311 1 472 . 1 1 115 115 TYR H H 1 7.629 0.01 . 1 . . . . . . . . 6311 1 473 . 1 1 115 115 TYR C C 13 172.6 0.2 . 1 . . . . . . . . 6311 1 474 . 1 1 115 115 TYR CA C 13 56.7 0.2 . 1 . . . . . . . . 6311 1 475 . 1 1 115 115 TYR N N 15 114.9 0.2 . 1 . . . . . . . . 6311 1 476 . 1 1 120 120 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 6311 1 477 . 1 1 121 121 SER H H 1 7.63 0.01 . 1 . . . . . . . . 6311 1 478 . 1 1 121 121 SER C C 13 172.6 0.2 . 1 . . . . . . . . 6311 1 479 . 1 1 121 121 SER CA C 13 59.0 0.2 . 1 . . . . . . . . 6311 1 480 . 1 1 121 121 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 6311 1 481 . 1 1 121 121 SER N N 15 114.0 0.2 . 1 . . . . . . . . 6311 1 482 . 1 1 122 122 ASN H H 1 6.79 0.01 . 1 . . . . . . . . 6311 1 483 . 1 1 122 122 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 484 . 1 1 122 122 ASN CA C 13 52.2 0.2 . 1 . . . . . . . . 6311 1 485 . 1 1 122 122 ASN N N 15 112.4 0.2 . 1 . . . . . . . . 6311 1 486 . 1 1 123 123 SER C C 13 173.3 0.2 . 1 . . . . . . . . 6311 1 487 . 1 1 123 123 SER CA C 13 59.7 0.2 . 1 . . . . . . . . 6311 1 488 . 1 1 123 123 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 6311 1 489 . 1 1 124 124 GLU H H 1 7.78 0.01 . 1 . . . . . . . . 6311 1 490 . 1 1 124 124 GLU C C 13 173.9 0.2 . 1 . . . . . . . . 6311 1 491 . 1 1 124 124 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 492 . 1 1 124 124 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 6311 1 493 . 1 1 124 124 GLU N N 15 117.6 0.2 . 1 . . . . . . . . 6311 1 494 . 1 1 125 125 SER H H 1 6.83 0.01 . 1 . . . . . . . . 6311 1 495 . 1 1 125 125 SER C C 13 172.6 0.2 . 1 . . . . . . . . 6311 1 496 . 1 1 125 125 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 6311 1 497 . 1 1 125 125 SER CB C 13 66.1 0.2 . 1 . . . . . . . . 6311 1 498 . 1 1 125 125 SER N N 15 108.0 0.2 . 1 . . . . . . . . 6311 1 499 . 1 1 126 126 TRP H H 1 8.82 0.01 . 1 . . . . . . . . 6311 1 500 . 1 1 126 126 TRP C C 13 175.3 0.2 . 1 . . . . . . . . 6311 1 501 . 1 1 126 126 TRP CA C 13 58.6 0.2 . 1 . . . . . . . . 6311 1 502 . 1 1 126 126 TRP CB C 13 33.3 0.2 . 1 . . . . . . . . 6311 1 503 . 1 1 126 126 TRP N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 504 . 1 1 127 127 GLY H H 1 9.21 0.01 . 1 . . . . . . . . 6311 1 505 . 1 1 127 127 GLY C C 13 169.1 0.2 . 1 . . . . . . . . 6311 1 506 . 1 1 127 127 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6311 1 507 . 1 1 127 127 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 6311 1 508 . 1 1 128 128 TRP H H 1 8.41 0.01 . 1 . . . . . . . . 6311 1 509 . 1 1 128 128 TRP C C 13 174.8 0.2 . 1 . . . . . . . . 6311 1 510 . 1 1 128 128 TRP CA C 13 53.7 0.2 . 1 . . . . . . . . 6311 1 511 . 1 1 128 128 TRP CB C 13 32.2 0.2 . 1 . . . . . . . . 6311 1 512 . 1 1 128 128 TRP N N 15 123.1 0.2 . 1 . . . . . . . . 6311 1 513 . 1 1 129 129 ASP H H 1 9.25 0.01 . 1 . . . . . . . . 6311 1 514 . 1 1 129 129 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 6311 1 515 . 1 1 129 129 ASP CA C 13 53.2 0.2 . 1 . . . . . . . . 6311 1 516 . 1 1 129 129 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 6311 1 517 . 1 1 129 129 ASP N N 15 127.7 0.2 . 1 . . . . . . . . 6311 1 518 . 1 1 130 130 ILE H H 1 7.73 0.01 . 1 . . . . . . . . 6311 1 519 . 1 1 130 130 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 520 . 1 1 130 130 ILE CA C 13 62.9 0.2 . 1 . . . . . . . . 6311 1 521 . 1 1 130 130 ILE N N 15 119.5 0.2 . 1 . . . . . . . . 6311 1 522 . 1 1 131 131 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 6311 1 523 . 1 1 131 131 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 524 . 1 1 131 131 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 6311 1 525 . 1 1 131 131 GLY N N 15 108.0 0.2 . 1 . . . . . . . . 6311 1 526 . 1 1 132 132 ARG H H 1 7.64 0.01 . 1 . . . . . . . . 6311 1 527 . 1 1 132 132 ARG C C 13 177.2 0.2 . 1 . . . . . . . . 6311 1 528 . 1 1 132 132 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 6311 1 529 . 1 1 132 132 ARG CB C 13 33.0 0.2 . 1 . . . . . . . . 6311 1 530 . 1 1 132 132 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 531 . 1 1 133 133 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 6311 1 532 . 1 1 133 133 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 6311 1 533 . 1 1 133 133 GLY CA C 13 47.4 0.2 . 1 . . . . . . . . 6311 1 534 . 1 1 133 133 GLY N N 15 109.7 0.2 . 1 . . . . . . . . 6311 1 535 . 1 1 134 134 LYS H H 1 6.51 0.01 . 1 . . . . . . . . 6311 1 536 . 1 1 134 134 LYS C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 537 . 1 1 134 134 LYS CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 538 . 1 1 134 134 LYS CB C 13 37.1 0.2 . 1 . . . . . . . . 6311 1 539 . 1 1 134 134 LYS N N 15 115.4 0.2 . 1 . . . . . . . . 6311 1 540 . 1 1 135 135 LEU H H 1 8.24 0.01 . 1 . . . . . . . . 6311 1 541 . 1 1 135 135 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 6311 1 542 . 1 1 135 135 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 6311 1 543 . 1 1 135 135 LEU N N 15 120.1 0.2 . 1 . . . . . . . . 6311 1 544 . 1 1 136 136 TYR H H 1 9.44 0.01 . 1 . . . . . . . . 6311 1 545 . 1 1 136 136 TYR CA C 13 55.4 0.2 . 1 . . . . . . . . 6311 1 546 . 1 1 136 136 TYR CB C 13 40.8 0.2 . 1 . . . . . . . . 6311 1 547 . 1 1 136 136 TYR N N 15 119.8 0.2 . 1 . . . . . . . . 6311 1 548 . 1 1 137 137 HIS H H 1 8.21 0.01 . 1 . . . . . . . . 6311 1 549 . 1 1 137 137 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 6311 1 550 . 1 1 137 137 HIS CA C 13 59.1 0.2 . 1 . . . . . . . . 6311 1 551 . 1 1 137 137 HIS CB C 13 30.4 0.2 . 1 . . . . . . . . 6311 1 552 . 1 1 137 137 HIS N N 15 121.2 0.2 . 1 . . . . . . . . 6311 1 553 . 1 1 138 138 GLN H H 1 6.78 0.01 . 1 . . . . . . . . 6311 1 554 . 1 1 138 138 GLN C C 13 175.3 0.2 . 1 . . . . . . . . 6311 1 555 . 1 1 138 138 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 6311 1 556 . 1 1 138 138 GLN CB C 13 27.3 0.2 . 1 . . . . . . . . 6311 1 557 . 1 1 138 138 GLN N N 15 123.6 0.2 . 1 . . . . . . . . 6311 1 558 . 1 1 139 139 SER H H 1 8.07 0.01 . 1 . . . . . . . . 6311 1 559 . 1 1 139 139 SER C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 560 . 1 1 139 139 SER CA C 13 59.4 0.2 . 1 . . . . . . . . 6311 1 561 . 1 1 139 139 SER CB C 13 65.2 0.2 . 1 . . . . . . . . 6311 1 562 . 1 1 139 139 SER N N 15 111.6 0.2 . 1 . . . . . . . . 6311 1 563 . 1 1 140 140 LYS H H 1 8.53 0.01 . 1 . . . . . . . . 6311 1 564 . 1 1 140 140 LYS C C 13 177.2 0.2 . 1 . . . . . . . . 6311 1 565 . 1 1 140 140 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 6311 1 566 . 1 1 140 140 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6311 1 567 . 1 1 140 140 LYS N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 568 . 1 1 141 141 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 6311 1 569 . 1 1 141 141 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 6311 1 570 . 1 1 141 141 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 6311 1 571 . 1 1 141 141 GLY N N 15 109.7 0.2 . 1 . . . . . . . . 6311 1 572 . 1 1 142 142 LEU H H 1 8.09 0.01 . 1 . . . . . . . . 6311 1 573 . 1 1 142 142 LEU C C 13 177.7 0.2 . 1 . . . . . . . . 6311 1 574 . 1 1 142 142 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 6311 1 575 . 1 1 142 142 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 6311 1 576 . 1 1 142 142 LEU N N 15 120.9 0.2 . 1 . . . . . . . . 6311 1 577 . 1 1 143 143 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 6311 1 578 . 1 1 143 143 GLU C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 579 . 1 1 143 143 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 6311 1 580 . 1 1 143 143 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 6311 1 581 . 1 1 143 143 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 6311 1 582 . 1 1 144 144 ALA H H 1 8.19 0.01 . 1 . . . . . . . . 6311 1 583 . 1 1 144 144 ALA C C 13 174.9 0.2 . 1 . . . . . . . . 6311 1 584 . 1 1 144 144 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 6311 1 585 . 1 1 144 144 ALA CB C 13 20.2 0.2 . 1 . . . . . . . . 6311 1 586 . 1 1 144 144 ALA N N 15 128.3 0.2 . 1 . . . . . . . . 6311 1 587 . 1 1 145 145 PRO C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 588 . 1 1 145 145 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 6311 1 589 . 1 1 145 145 PRO CB C 13 33.0 0.2 . 1 . . . . . . . . 6311 1 590 . 1 1 146 146 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 6311 1 591 . 1 1 146 146 GLN C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 592 . 1 1 146 146 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 6311 1 593 . 1 1 146 146 GLN CB C 13 30.9 0.2 . 1 . . . . . . . . 6311 1 594 . 1 1 146 146 GLN N N 15 120.1 0.2 . 1 . . . . . . . . 6311 1 595 . 1 1 147 147 TYR H H 1 8.46 0.01 . 1 . . . . . . . . 6311 1 596 . 1 1 147 147 TYR C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 597 . 1 1 147 147 TYR CA C 13 55.5 0.2 . 1 . . . . . . . . 6311 1 598 . 1 1 147 147 TYR CB C 13 46.2 0.2 . 1 . . . . . . . . 6311 1 599 . 1 1 147 147 TYR N N 15 125.8 0.2 . 1 . . . . . . . . 6311 1 600 . 1 1 148 148 PRO C C 13 173.3 0.2 . 1 . . . . . . . . 6311 1 601 . 1 1 148 148 PRO CA C 13 62.3 0.2 . 1 . . . . . . . . 6311 1 602 . 1 1 148 148 PRO CB C 13 33.9 0.2 . 1 . . . . . . . . 6311 1 603 . 1 1 149 149 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 6311 1 604 . 1 1 149 149 ALA C C 13 178.2 0.2 . 1 . . . . . . . . 6311 1 605 . 1 1 149 149 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6311 1 606 . 1 1 149 149 ALA CB C 13 19.9 0.2 . 1 . . . . . . . . 6311 1 607 . 1 1 149 149 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 6311 1 608 . 1 1 150 150 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 6311 1 609 . 1 1 150 150 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 6311 1 610 . 1 1 150 150 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6311 1 611 . 1 1 150 150 GLY N N 15 107.7 0.2 . 1 . . . . . . . . 6311 1 612 . 1 1 151 151 PRO C C 13 178.8 0.2 . 1 . . . . . . . . 6311 1 613 . 1 1 151 151 PRO CA C 13 64.3 0.2 . 1 . . . . . . . . 6311 1 614 . 1 1 151 151 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6311 1 615 . 1 1 152 152 GLN H H 1 8.75 0.01 . 1 . . . . . . . . 6311 1 616 . 1 1 152 152 GLN C C 13 177.8 0.2 . 1 . . . . . . . . 6311 1 617 . 1 1 152 152 GLN CA C 13 57.8 0.2 . 1 . . . . . . . . 6311 1 618 . 1 1 152 152 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 6311 1 619 . 1 1 152 152 GLN N N 15 118.1 0.2 . 1 . . . . . . . . 6311 1 620 . 1 1 153 153 GLY H H 1 8.01 0.01 . 1 . . . . . . . . 6311 1 621 . 1 1 153 153 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 6311 1 622 . 1 1 153 153 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 6311 1 623 . 1 1 153 153 GLY N N 15 107.3 0.2 . 1 . . . . . . . . 6311 1 624 . 1 1 154 154 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 6311 1 625 . 1 1 154 154 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 6311 1 626 . 1 1 154 154 GLU CA C 13 57.5 0.2 . 1 . . . . . . . . 6311 1 627 . 1 1 154 154 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 6311 1 628 . 1 1 154 154 GLU N N 15 120.3 0.2 . 1 . . . . . . . . 6311 1 629 . 1 1 155 155 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6311 1 630 . 1 1 155 155 GLN C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 631 . 1 1 155 155 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 6311 1 632 . 1 1 155 155 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 6311 1 633 . 1 1 155 155 GLN N N 15 119.3 0.2 . 1 . . . . . . . . 6311 1 634 . 1 1 156 156 LEU H H 1 7.52 0.01 . 1 . . . . . . . . 6311 1 635 . 1 1 156 156 LEU C C 13 176.6 0.2 . 1 . . . . . . . . 6311 1 636 . 1 1 156 156 LEU CA C 13 55.9 0.2 . 1 . . . . . . . . 6311 1 637 . 1 1 156 156 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 6311 1 638 . 1 1 156 156 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 6311 1 639 . 1 1 157 157 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 6311 1 640 . 1 1 157 157 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 6311 1 641 . 1 1 157 157 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 6311 1 642 . 1 1 157 157 VAL CB C 13 33.9 0.2 . 1 . . . . . . . . 6311 1 643 . 1 1 157 157 VAL N N 15 128.1 0.2 . 1 . . . . . . . . 6311 1 644 . 1 1 158 158 VAL H H 1 8.69 0.01 . 1 . . . . . . . . 6311 1 645 . 1 1 158 158 VAL C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 646 . 1 1 158 158 VAL CA C 13 61.2 0.2 . 1 . . . . . . . . 6311 1 647 . 1 1 158 158 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 6311 1 648 . 1 1 158 158 VAL N N 15 131.1 0.2 . 1 . . . . . . . . 6311 1 649 . 1 1 159 159 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 6311 1 650 . 1 1 159 159 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 6311 1 651 . 1 1 159 159 PRO CB C 13 32.5 0.2 . 1 . . . . . . . . 6311 1 652 . 1 1 160 160 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 6311 1 653 . 1 1 160 160 GLU C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 654 . 1 1 160 160 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 6311 1 655 . 1 1 160 160 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 6311 1 656 . 1 1 160 160 GLU N N 15 117.6 0.2 . 1 . . . . . . . . 6311 1 657 . 1 1 161 161 ARG H H 1 7.41 0.01 . 1 . . . . . . . . 6311 1 658 . 1 1 161 161 ARG C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 659 . 1 1 161 161 ARG CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 660 . 1 1 161 161 ARG CB C 13 32.9 0.2 . 1 . . . . . . . . 6311 1 661 . 1 1 161 161 ARG N N 15 111.9 0.2 . 1 . . . . . . . . 6311 1 662 . 1 1 162 162 LEU H H 1 9.00 0.01 . 1 . . . . . . . . 6311 1 663 . 1 1 162 162 LEU C C 13 173.4 0.2 . 1 . . . . . . . . 6311 1 664 . 1 1 162 162 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 6311 1 665 . 1 1 162 162 LEU CB C 13 45.2 0.2 . 1 . . . . . . . . 6311 1 666 . 1 1 162 162 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 6311 1 667 . 1 1 163 163 LEU H H 1 9.01 0.01 . 1 . . . . . . . . 6311 1 668 . 1 1 163 163 LEU C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 669 . 1 1 163 163 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 6311 1 670 . 1 1 163 163 LEU CB C 13 44.8 0.2 . 1 . . . . . . . . 6311 1 671 . 1 1 163 163 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 6311 1 672 . 1 1 164 164 VAL H H 1 9.27 0.01 . 1 . . . . . . . . 6311 1 673 . 1 1 164 164 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 6311 1 674 . 1 1 164 164 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 6311 1 675 . 1 1 164 164 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 6311 1 676 . 1 1 164 164 VAL N N 15 128.5 0.2 . 1 . . . . . . . . 6311 1 677 . 1 1 165 165 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 6311 1 678 . 1 1 165 165 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 6311 1 679 . 1 1 165 165 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 6311 1 680 . 1 1 165 165 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 6311 1 681 . 1 1 165 165 VAL N N 15 123.6 0.2 . 1 . . . . . . . . 6311 1 682 . 1 1 166 166 LEU H H 1 8.98 0.01 . 1 . . . . . . . . 6311 1 683 . 1 1 166 166 LEU C C 13 173.3 0.2 . 1 . . . . . . . . 6311 1 684 . 1 1 166 166 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 6311 1 685 . 1 1 166 166 LEU CB C 13 44.6 0.2 . 1 . . . . . . . . 6311 1 686 . 1 1 166 166 LEU N N 15 133.1 0.2 . 1 . . . . . . . . 6311 1 687 . 1 1 167 167 ASP H H 1 8.96 0.01 . 1 . . . . . . . . 6311 1 688 . 1 1 167 167 ASP C C 13 177.9 0.2 . 1 . . . . . . . . 6311 1 689 . 1 1 167 167 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 6311 1 690 . 1 1 167 167 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 6311 1 691 . 1 1 167 167 ASP N N 15 127.0 0.2 . 1 . . . . . . . . 6311 1 692 . 1 1 168 168 MET H H 1 9.05 0.01 . 1 . . . . . . . . 6311 1 693 . 1 1 168 168 MET C C 13 177.2 0.2 . 1 . . . . . . . . 6311 1 694 . 1 1 168 168 MET CA C 13 54.1 0.2 . 1 . . . . . . . . 6311 1 695 . 1 1 168 168 MET N N 15 121.1 0.01 . 1 . . . . . . . . 6311 1 696 . 1 1 169 169 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 6311 1 697 . 1 1 169 169 GLU C C 13 178.2 0.2 . 1 . . . . . . . . 6311 1 698 . 1 1 169 169 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 6311 1 699 . 1 1 169 169 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 6311 1 700 . 1 1 169 169 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 6311 1 701 . 1 1 170 170 GLU H H 1 7.53 0.01 . 1 . . . . . . . . 6311 1 702 . 1 1 170 170 GLU C C 13 178.1 0.2 . 1 . . . . . . . . 6311 1 703 . 1 1 170 170 GLU CA C 13 55.9 0.2 . 1 . . . . . . . . 6311 1 704 . 1 1 170 170 GLU CB C 13 31.1 0.2 . 1 . . . . . . . . 6311 1 705 . 1 1 170 170 GLU N N 15 116.1 0.2 . 1 . . . . . . . . 6311 1 706 . 1 1 171 171 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 6311 1 707 . 1 1 171 171 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 6311 1 708 . 1 1 171 171 GLY CA C 13 47.9 0.2 . 1 . . . . . . . . 6311 1 709 . 1 1 171 171 GLY N N 15 110.2 0.2 . 1 . . . . . . . . 6311 1 710 . 1 1 172 172 THR H H 1 8.59 0.01 . 1 . . . . . . . . 6311 1 711 . 1 1 172 172 THR C C 13 172.3 0.2 . 1 . . . . . . . . 6311 1 712 . 1 1 172 172 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 6311 1 713 . 1 1 172 172 THR CB C 13 73.2 0.2 . 1 . . . . . . . . 6311 1 714 . 1 1 172 172 THR N N 15 108.4 0.2 . 1 . . . . . . . . 6311 1 715 . 1 1 173 173 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 6311 1 716 . 1 1 173 173 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 6311 1 717 . 1 1 173 173 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 6311 1 718 . 1 1 173 173 LEU CB C 13 46.6 0.2 . 1 . . . . . . . . 6311 1 719 . 1 1 173 173 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 6311 1 720 . 1 1 174 174 GLY H H 1 8.76 0.01 . 1 . . . . . . . . 6311 1 721 . 1 1 174 174 GLY C C 13 168.7 0.2 . 1 . . . . . . . . 6311 1 722 . 1 1 174 174 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 6311 1 723 . 1 1 174 174 GLY N N 15 115.1 0.2 . 1 . . . . . . . . 6311 1 724 . 1 1 175 175 TYR H H 1 6.81 0.01 . 1 . . . . . . . . 6311 1 725 . 1 1 175 175 TYR C C 13 173.9 0.2 . 1 . . . . . . . . 6311 1 726 . 1 1 175 175 TYR CA C 13 56.5 0.2 . 1 . . . . . . . . 6311 1 727 . 1 1 175 175 TYR CB C 13 43.0 0.2 . 1 . . . . . . . . 6311 1 728 . 1 1 175 175 TYR N N 15 114.7 0.2 . 1 . . . . . . . . 6311 1 729 . 1 1 176 176 SER H H 1 9.49 0.01 . 1 . . . . . . . . 6311 1 730 . 1 1 176 176 SER C C 13 173.9 0.2 . 1 . . . . . . . . 6311 1 731 . 1 1 176 176 SER CA C 13 56.4 0.2 . 1 . . . . . . . . 6311 1 732 . 1 1 176 176 SER CB C 13 65.6 0.2 . 1 . . . . . . . . 6311 1 733 . 1 1 176 176 SER N N 15 115.2 0.2 . 1 . . . . . . . . 6311 1 734 . 1 1 177 177 ILE H H 1 8.14 0.01 . 1 . . . . . . . . 6311 1 735 . 1 1 177 177 ILE C C 13 177.5 0.2 . 1 . . . . . . . . 6311 1 736 . 1 1 177 177 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 6311 1 737 . 1 1 177 177 ILE N N 15 121.2 0.2 . 1 . . . . . . . . 6311 1 738 . 1 1 178 178 GLY H H 1 9.31 0.01 . 1 . . . . . . . . 6311 1 739 . 1 1 178 178 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 6311 1 740 . 1 1 178 178 GLY CA C 13 47.3 0.2 . 1 . . . . . . . . 6311 1 741 . 1 1 178 178 GLY N N 15 116.5 0.2 . 1 . . . . . . . . 6311 1 742 . 1 1 179 179 GLY H H 1 8.85 0.01 . 1 . . . . . . . . 6311 1 743 . 1 1 179 179 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 6311 1 744 . 1 1 179 179 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 6311 1 745 . 1 1 179 179 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 6311 1 746 . 1 1 180 180 THR H H 1 7.99 0.01 . 1 . . . . . . . . 6311 1 747 . 1 1 180 180 THR C C 13 172.9 0.2 . 1 . . . . . . . . 6311 1 748 . 1 1 180 180 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 6311 1 749 . 1 1 180 180 THR CB C 13 70.4 0.2 . 1 . . . . . . . . 6311 1 750 . 1 1 180 180 THR N N 15 119.5 0.2 . 1 . . . . . . . . 6311 1 751 . 1 1 181 181 TYR H H 1 8.87 0.01 . 1 . . . . . . . . 6311 1 752 . 1 1 181 181 TYR C C 13 176.6 0.2 . 1 . . . . . . . . 6311 1 753 . 1 1 181 181 TYR CA C 13 58.5 0.2 . 1 . . . . . . . . 6311 1 754 . 1 1 181 181 TYR CB C 13 38.4 0.2 . 1 . . . . . . . . 6311 1 755 . 1 1 181 181 TYR N N 15 128.6 0.2 . 1 . . . . . . . . 6311 1 756 . 1 1 182 182 LEU H H 1 8.72 0.01 . 1 . . . . . . . . 6311 1 757 . 1 1 182 182 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 6311 1 758 . 1 1 182 182 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 6311 1 759 . 1 1 182 182 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 6311 1 760 . 1 1 182 182 LEU N N 15 126.9 0.2 . 1 . . . . . . . . 6311 1 761 . 1 1 183 183 GLY H H 1 8.15 0.01 . 1 . . . . . . . . 6311 1 762 . 1 1 183 183 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 6311 1 763 . 1 1 183 183 GLY N N 15 120.7 0.2 . 1 . . . . . . . . 6311 1 764 . 1 1 184 184 PRO C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 765 . 1 1 184 184 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 6311 1 766 . 1 1 184 184 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 6311 1 767 . 1 1 185 185 ALA H H 1 9.43 0.01 . 1 . . . . . . . . 6311 1 768 . 1 1 185 185 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 6311 1 769 . 1 1 185 185 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 6311 1 770 . 1 1 185 185 ALA CB C 13 20.1 0.2 . 1 . . . . . . . . 6311 1 771 . 1 1 185 185 ALA N N 15 131.0 0.2 . 1 . . . . . . . . 6311 1 772 . 1 1 186 186 PHE H H 1 7.67 0.01 . 1 . . . . . . . . 6311 1 773 . 1 1 186 186 PHE C C 13 174.3 0.2 . 1 . . . . . . . . 6311 1 774 . 1 1 186 186 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . 6311 1 775 . 1 1 186 186 PHE CB C 13 43.9 0.2 . 1 . . . . . . . . 6311 1 776 . 1 1 186 186 PHE N N 15 111.0 0.2 . 1 . . . . . . . . 6311 1 777 . 1 1 187 187 ARG H H 1 8.69 0.01 . 1 . . . . . . . . 6311 1 778 . 1 1 187 187 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 6311 1 779 . 1 1 187 187 ARG CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 780 . 1 1 187 187 ARG CB C 13 33.4 0.2 . 1 . . . . . . . . 6311 1 781 . 1 1 187 187 ARG N N 15 119.8 0.2 . 1 . . . . . . . . 6311 1 782 . 1 1 188 188 GLY H H 1 8.70 0.01 . 1 . . . . . . . . 6311 1 783 . 1 1 188 188 GLY C C 13 177.8 0.2 . 1 . . . . . . . . 6311 1 784 . 1 1 188 188 GLY CA C 13 47.0 0.2 . 1 . . . . . . . . 6311 1 785 . 1 1 188 188 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 6311 1 786 . 1 1 189 189 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6311 1 787 . 1 1 189 189 LEU C C 13 176.2 0.2 . 1 . . . . . . . . 6311 1 788 . 1 1 189 189 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 6311 1 789 . 1 1 189 189 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 6311 1 790 . 1 1 189 189 LEU N N 15 117.6 0.2 . 1 . . . . . . . . 6311 1 791 . 1 1 190 190 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 6311 1 792 . 1 1 190 190 LYS C C 13 178.1 0.2 . 1 . . . . . . . . 6311 1 793 . 1 1 190 190 LYS CA C 13 59.3 0.2 . 1 . . . . . . . . 6311 1 794 . 1 1 190 190 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 6311 1 795 . 1 1 190 190 LYS N N 15 116.5 0.2 . 1 . . . . . . . . 6311 1 796 . 1 1 191 191 GLY H H 1 8.74 0.01 . 1 . . . . . . . . 6311 1 797 . 1 1 191 191 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 6311 1 798 . 1 1 191 191 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 6311 1 799 . 1 1 191 191 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 6311 1 800 . 1 1 192 192 ARG H H 1 7.10 0.01 . 1 . . . . . . . . 6311 1 801 . 1 1 192 192 ARG C C 13 174.9 0.2 . 1 . . . . . . . . 6311 1 802 . 1 1 192 192 ARG CA C 13 54.5 0.2 . 1 . . . . . . . . 6311 1 803 . 1 1 192 192 ARG CB C 13 32.5 0.2 . 1 . . . . . . . . 6311 1 804 . 1 1 192 192 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 805 . 1 1 193 193 THR H H 1 8.38 0.01 . 1 . . . . . . . . 6311 1 806 . 1 1 193 193 THR C C 13 174.3 0.2 . 1 . . . . . . . . 6311 1 807 . 1 1 193 193 THR CA C 13 63.1 0.2 . 1 . . . . . . . . 6311 1 808 . 1 1 193 193 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 6311 1 809 . 1 1 193 193 THR N N 15 116.5 0.2 . 1 . . . . . . . . 6311 1 810 . 1 1 194 194 LEU H H 1 8.27 0.01 . 1 . . . . . . . . 6311 1 811 . 1 1 194 194 LEU C C 13 174.2 0.2 . 1 . . . . . . . . 6311 1 812 . 1 1 194 194 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 6311 1 813 . 1 1 194 194 LEU N N 15 126.4 0.2 . 1 . . . . . . . . 6311 1 814 . 1 1 195 195 TYR H H 1 9.18 0.01 . 1 . . . . . . . . 6311 1 815 . 1 1 195 195 TYR C C 13 175.2 0.2 . 1 . . . . . . . . 6311 1 816 . 1 1 195 195 TYR CA C 13 54.5 0.2 . 1 . . . . . . . . 6311 1 817 . 1 1 195 195 TYR N N 15 120.1 0.2 . 1 . . . . . . . . 6311 1 818 . 1 1 196 196 PRO C C 13 175.9 0.2 . 1 . . . . . . . . 6311 1 819 . 1 1 196 196 PRO CA C 13 64.1 0.2 . 1 . . . . . . . . 6311 1 820 . 1 1 196 196 PRO CB C 13 34.4 0.2 . 1 . . . . . . . . 6311 1 821 . 1 1 197 197 SER H H 1 8.48 0.01 . 1 . . . . . . . . 6311 1 822 . 1 1 197 197 SER C C 13 173.9 0.2 . 1 . . . . . . . . 6311 1 823 . 1 1 197 197 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6311 1 824 . 1 1 197 197 SER CB C 13 66.0 0.2 . 1 . . . . . . . . 6311 1 825 . 1 1 197 197 SER N N 15 115.1 0.2 . 1 . . . . . . . . 6311 1 826 . 1 1 198 198 VAL H H 1 7.49 0.01 . 1 . . . . . . . . 6311 1 827 . 1 1 198 198 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 828 . 1 1 198 198 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 6311 1 829 . 1 1 198 198 VAL CB C 13 37.1 0.2 . 1 . . . . . . . . 6311 1 830 . 1 1 198 198 VAL N N 15 120.1 0.2 . 1 . . . . . . . . 6311 1 831 . 1 1 199 199 SER H H 1 8.95 0.01 . 1 . . . . . . . . 6311 1 832 . 1 1 199 199 SER C C 13 172.1 0.2 . 1 . . . . . . . . 6311 1 833 . 1 1 199 199 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 6311 1 834 . 1 1 199 199 SER CB C 13 66.3 0.2 . 1 . . . . . . . . 6311 1 835 . 1 1 199 199 SER N N 15 114.3 0.2 . 1 . . . . . . . . 6311 1 836 . 1 1 200 200 ALA H H 1 9.06 0.01 . 1 . . . . . . . . 6311 1 837 . 1 1 200 200 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 838 . 1 1 200 200 ALA CA C 13 51.5 0.2 . 1 . . . . . . . . 6311 1 839 . 1 1 200 200 ALA CB C 13 26.0 0.2 . 1 . . . . . . . . 6311 1 840 . 1 1 200 200 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 6311 1 841 . 1 1 203 203 GLY C C 13 168.9 0.2 . 1 . . . . . . . . 6311 1 842 . 1 1 204 204 GLN H H 1 7.40 0.01 . 1 . . . . . . . . 6311 1 843 . 1 1 204 204 GLN C C 13 177.1 0.2 . 1 . . . . . . . . 6311 1 844 . 1 1 204 204 GLN CA C 13 52.5 0.2 . 1 . . . . . . . . 6311 1 845 . 1 1 204 204 GLN CB C 13 33.9 0.2 . 1 . . . . . . . . 6311 1 846 . 1 1 204 204 GLN N N 15 113.2 0.2 . 1 . . . . . . . . 6311 1 847 . 1 1 205 205 CYS H H 1 8.92 0.01 . 1 . . . . . . . . 6311 1 848 . 1 1 205 205 CYS C C 13 175.7 0.2 . 1 . . . . . . . . 6311 1 849 . 1 1 205 205 CYS CA C 13 55.0 0.2 . 1 . . . . . . . . 6311 1 850 . 1 1 205 205 CYS N N 15 125.5 0.2 . 1 . . . . . . . . 6311 1 851 . 1 1 206 206 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 6311 1 852 . 1 1 206 206 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 6311 1 853 . 1 1 206 206 GLN CA C 13 54.3 0.2 . 1 . . . . . . . . 6311 1 854 . 1 1 206 206 GLN CB C 13 29.7 0.2 . 1 . . . . . . . . 6311 1 855 . 1 1 206 206 GLN N N 15 122.3 0.2 . 1 . . . . . . . . 6311 1 856 . 1 1 207 207 VAL H H 1 6.91 0.01 . 1 . . . . . . . . 6311 1 857 . 1 1 207 207 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 858 . 1 1 207 207 VAL CA C 13 60.8 0.2 . 1 . . . . . . . . 6311 1 859 . 1 1 207 207 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 6311 1 860 . 1 1 207 207 VAL N N 15 122.5 0.2 . 1 . . . . . . . . 6311 1 861 . 1 1 208 208 ARG H H 1 8.94 0.01 . 1 . . . . . . . . 6311 1 862 . 1 1 208 208 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 863 . 1 1 208 208 ARG CA C 13 55.3 0.2 . 1 . . . . . . . . 6311 1 864 . 1 1 208 208 ARG CB C 13 32.2 0.2 . 1 . . . . . . . . 6311 1 865 . 1 1 208 208 ARG N N 15 127.4 0.2 . 1 . . . . . . . . 6311 1 866 . 1 1 209 209 ILE H H 1 8.56 0.01 . 1 . . . . . . . . 6311 1 867 . 1 1 209 209 ILE C C 13 174.2 0.2 . 1 . . . . . . . . 6311 1 868 . 1 1 209 209 ILE CA C 13 59.0 0.2 . 1 . . . . . . . . 6311 1 869 . 1 1 209 209 ILE CB C 13 40.9 0.2 . 1 . . . . . . . . 6311 1 870 . 1 1 209 209 ILE N N 15 119.0 0.2 . 1 . . . . . . . . 6311 1 871 . 1 1 210 210 ARG H H 1 9.17 0.01 . 1 . . . . . . . . 6311 1 872 . 1 1 210 210 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 6311 1 873 . 1 1 210 210 ARG CA C 13 54.6 0.2 . 1 . . . . . . . . 6311 1 874 . 1 1 210 210 ARG CB C 13 32.8 0.2 . 1 . . . . . . . . 6311 1 875 . 1 1 210 210 ARG N N 15 130.2 0.2 . 1 . . . . . . . . 6311 1 876 . 1 1 211 211 TYR H H 1 9.28 0.01 . 1 . . . . . . . . 6311 1 877 . 1 1 211 211 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 878 . 1 1 211 211 TYR CA C 13 60.6 0.2 . 1 . . . . . . . . 6311 1 879 . 1 1 211 211 TYR CB C 13 39.9 0.2 . 1 . . . . . . . . 6311 1 880 . 1 1 211 211 TYR N N 15 131.3 0.2 . 1 . . . . . . . . 6311 1 881 . 1 1 212 212 MET H H 1 8.79 0.01 . 1 . . . . . . . . 6311 1 882 . 1 1 212 212 MET C C 13 175.5 0.2 . 1 . . . . . . . . 6311 1 883 . 1 1 212 212 MET CA C 13 53.5 0.2 . 1 . . . . . . . . 6311 1 884 . 1 1 212 212 MET CB C 13 31.9 0.2 . 1 . . . . . . . . 6311 1 885 . 1 1 212 212 MET N N 15 122.8 0.2 . 1 . . . . . . . . 6311 1 886 . 1 1 213 213 GLY H H 1 7.94 0.01 . 1 . . . . . . . . 6311 1 887 . 1 1 213 213 GLY C C 13 171.7 0.2 . 1 . . . . . . . . 6311 1 888 . 1 1 213 213 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 6311 1 889 . 1 1 213 213 GLY N N 15 106.1 0.2 . 1 . . . . . . . . 6311 1 890 . 1 1 214 214 GLU H H 1 8.26 0.01 . 1 . . . . . . . . 6311 1 891 . 1 1 214 214 GLU CA C 13 55.2 0.2 . 1 . . . . . . . . 6311 1 892 . 1 1 214 214 GLU N N 15 117.9 0.2 . 1 . . . . . . . . 6311 1 893 . 1 1 215 215 ARG H H 1 8.96 0.01 . 1 . . . . . . . . 6311 1 894 . 1 1 215 215 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 6311 1 895 . 1 1 215 215 ARG CA C 13 56.6 0.2 . 1 . . . . . . . . 6311 1 896 . 1 1 215 215 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 6311 1 897 . 1 1 215 215 ARG N N 15 128.3 0.2 . 1 . . . . . . . . 6311 1 898 . 1 1 216 216 ARG H H 1 8.94 0.01 . 1 . . . . . . . . 6311 1 899 . 1 1 216 216 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 6311 1 900 . 1 1 216 216 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 6311 1 901 . 1 1 216 216 ARG CB C 13 31.3 0.2 . 1 . . . . . . . . 6311 1 902 . 1 1 216 216 ARG N N 15 128.9 0.2 . 1 . . . . . . . . 6311 1 903 . 1 1 217 217 VAL H H 1 8.60 0.01 . 1 . . . . . . . . 6311 1 904 . 1 1 217 217 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 6311 1 905 . 1 1 217 217 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 6311 1 906 . 1 1 217 217 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 6311 1 907 . 1 1 217 217 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 6311 1 908 . 1 1 218 218 GLU H H 1 8.70 0.01 . 1 . . . . . . . . 6311 1 909 . 1 1 218 218 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 6311 1 910 . 1 1 218 218 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 6311 1 911 . 1 1 218 218 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 6311 1 912 . 1 1 218 218 GLU N N 15 124.4 0.2 . 1 . . . . . . . . 6311 1 913 . 1 1 219 219 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 6311 1 914 . 1 1 219 219 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 6311 1 915 . 1 1 219 219 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 6311 1 916 . 1 1 219 219 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 6311 1 917 . 1 1 219 219 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 6311 1 918 . 1 1 220 220 THR H H 1 8.09 0.01 . 1 . . . . . . . . 6311 1 919 . 1 1 220 220 THR C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 920 . 1 1 220 220 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 6311 1 921 . 1 1 220 220 THR CB C 13 69.0 0.2 . 1 . . . . . . . . 6311 1 922 . 1 1 220 220 THR N N 15 114.6 0.2 . 1 . . . . . . . . 6311 1 923 . 1 1 221 221 ARG H H 1 8.27 0.01 . 1 . . . . . . . . 6311 1 924 . 1 1 221 221 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 6311 1 925 . 1 1 221 221 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 6311 1 926 . 1 1 221 221 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6311 1 927 . 1 1 221 221 ARG N N 15 123.1 0.2 . 1 . . . . . . . . 6311 1 928 . 1 1 222 222 ARG H H 1 8.27 0.01 . 1 . . . . . . . . 6311 1 929 . 1 1 222 222 ARG C C 13 176.1 0.2 . 1 . . . . . . . . 6311 1 930 . 1 1 222 222 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 6311 1 931 . 1 1 222 222 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 6311 1 932 . 1 1 222 222 ARG N N 15 122.5 0.2 . 1 . . . . . . . . 6311 1 933 . 1 1 223 223 ILE H H 1 8.14 0.01 . 1 . . . . . . . . 6311 1 934 . 1 1 223 223 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 6311 1 935 . 1 1 223 223 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 6311 1 936 . 1 1 223 223 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 6311 1 937 . 1 1 223 223 ILE N N 15 122.3 0.2 . 1 . . . . . . . . 6311 1 938 . 1 1 224 224 HIS H H 1 8.44 0.01 . 1 . . . . . . . . 6311 1 939 . 1 1 224 224 HIS C C 13 175.0 0.2 . 1 . . . . . . . . 6311 1 940 . 1 1 224 224 HIS CA C 13 56.5 0.2 . 1 . . . . . . . . 6311 1 941 . 1 1 224 224 HIS CB C 13 30.9 0.2 . 1 . . . . . . . . 6311 1 942 . 1 1 224 224 HIS N N 15 124.4 0.2 . 1 . . . . . . . . 6311 1 943 . 1 1 225 225 ARG H H 1 8.28 0.01 . 1 . . . . . . . . 6311 1 944 . 1 1 225 225 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 6311 1 945 . 1 1 225 225 ARG N N 15 123.3 0.2 . 1 . . . . . . . . 6311 1 stop_ save_