data_25194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25194 _Entry.Title ; NMR resonance assignment of the C-terminal domain of the lantibiotic immunity protein NisI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-02 _Entry.Accession_date 2014-09-02 _Entry.Last_release_date 2015-04-27 _Entry.Original_release_date 2015-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Carolin Hacker . . . 25194 2 'Nina Alexandra' Christ . . . 25194 3 Elke Duchardt-Ferner . . . 25194 4 Lucija Bernigner . . . 25194 5 Peter Koetter . . . 25194 6 Karl-Dieter Entian . . . 25194 7 Jens Woehnert . . . 25194 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25194 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LanI . 25194 SpaI . 25194 'lantibiotic self-immunity protein' . 25194 subtilin . 25194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 25194 '15N chemical shifts' 138 25194 '1H chemical shifts' 836 25194 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-10-01 2014-09-02 original BMRB 'update entry citation' 25194 1 . . 2015-04-27 2014-09-02 original BMRB 'original release' 25194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25175 'N-terminal domain of the lantibiotic immunity protein NisI' 25194 BMRB 25193 NisI 25194 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 25194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25613223 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the lantibiotic immunity protein NisI from Lactococcus lactis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 293 _Citation.Page_last 297 _Citation.Year 2015 _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 Carolin Hacker . . . 25194 1 2 'Nina Alexandra' Christ . . . 25194 1 3 Elke Duchardt-Ferner . . . 25194 1 4 Lucija Bernigner . . . 25194 1 5 Peter Koetter . . . 25194 1 6 Karl-Dieter Entian . . . 25194 1 7 Jens Woehnert . . . 25194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25194 _Assembly.ID 1 _Assembly.Name NisI _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NisI 1 $NisI A . yes native no no . . . 25194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NisI _Entity.Sf_category entity _Entity.Sf_framecode NisI _Entity.Entry_ID 25194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NisI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDKGAVKALRLQNFDVTSDI SDDNFVIDKNDSRKIDYMGN IYSISDTTVSDEELGEYQDV LAEVRVFDSVSGKSIPRSEW GRIDKDGSNSKQSRTEWDYG EIHSIRGKSLTEAFAVEIND DFKLATKVGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S97-N226 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment NisI97-226 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14562.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 25193 . NisI . . . . . 100.00 227 100.00 100.00 1.32e-85 . . . . 25194 1 2 no PDB 2N2E . "Nmr Solution Structure Of The C-terminal Domain Of Nisi, A Lipoprotein From Lactococcus Lactis Which Confers Immunity Against N" . . . . . 83.08 108 100.00 100.00 6.10e-70 . . . . 25194 1 3 no DBJ BAL50562 . "encodes a protein involved in immunity against nisin [Lactococcus lactis subsp. lactis IO-1]" . . . . . 100.00 245 100.00 100.00 2.01e-85 . . . . 25194 1 4 no EMBL CAA54209 . "nisI [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 2.50e-85 . . . . 25194 1 5 no EMBL CAA79465 . "NisI protein [Lactococcus lactis]" . . . . . 100.00 245 99.23 99.23 9.62e-85 . . . . 25194 1 6 no GB AAA25193 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 2.50e-85 . . . . 25194 1 7 no GB AAQ89591 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 2.58e-85 . . . . 25194 1 8 no GB AAQ89592 . "nisin immunity protein [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 2.58e-85 . . . . 25194 1 9 no GB ACM62695 . "nisI [Shuttle vector pMSP3535H3]" . . . . . 100.00 245 99.23 99.23 9.62e-85 . . . . 25194 1 10 no GB ADA64984 . "Nisin immunity protein [Lactococcus lactis subsp. lactis KF147]" . . . . . 100.00 245 97.69 99.23 9.06e-84 . . . . 25194 1 11 no REF WP_012897848 . "nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 97.69 99.23 9.06e-84 . . . . 25194 1 12 no REF WP_014570409 . "nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 2.50e-85 . . . . 25194 1 13 no REF WP_015425983 . "encodes a protein involved in immunity against nisin [Lactococcus lactis]" . . . . . 100.00 245 100.00 100.00 2.01e-85 . . . . 25194 1 14 no REF WP_017864237 . "Nisin immunity protein [Lactococcus lactis]" . . . . . 100.00 245 99.23 99.23 9.62e-85 . . . . 25194 1 15 no REF WP_039114828 . "immunity protein [Lactococcus lactis]" . . . . . 100.00 245 99.23 100.00 6.43e-85 . . . . 25194 1 16 no SP P42708 . "RecName: Full=Nisin immunity protein; Flags: Precursor [Lactococcus lactis subsp. lactis]" . . . . . 100.00 245 100.00 100.00 2.50e-85 . . . . 25194 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 97 SER . 25194 1 2 98 ASP . 25194 1 3 99 LYS . 25194 1 4 100 GLY . 25194 1 5 101 ALA . 25194 1 6 102 VAL . 25194 1 7 103 LYS . 25194 1 8 104 ALA . 25194 1 9 105 LEU . 25194 1 10 106 ARG . 25194 1 11 107 LEU . 25194 1 12 108 GLN . 25194 1 13 109 ASN . 25194 1 14 110 PHE . 25194 1 15 111 ASP . 25194 1 16 112 VAL . 25194 1 17 113 THR . 25194 1 18 114 SER . 25194 1 19 115 ASP . 25194 1 20 116 ILE . 25194 1 21 117 SER . 25194 1 22 118 ASP . 25194 1 23 119 ASP . 25194 1 24 120 ASN . 25194 1 25 121 PHE . 25194 1 26 122 VAL . 25194 1 27 123 ILE . 25194 1 28 124 ASP . 25194 1 29 125 LYS . 25194 1 30 126 ASN . 25194 1 31 127 ASP . 25194 1 32 128 SER . 25194 1 33 129 ARG . 25194 1 34 130 LYS . 25194 1 35 131 ILE . 25194 1 36 132 ASP . 25194 1 37 133 TYR . 25194 1 38 134 MET . 25194 1 39 135 GLY . 25194 1 40 136 ASN . 25194 1 41 137 ILE . 25194 1 42 138 TYR . 25194 1 43 139 SER . 25194 1 44 140 ILE . 25194 1 45 141 SER . 25194 1 46 142 ASP . 25194 1 47 143 THR . 25194 1 48 144 THR . 25194 1 49 145 VAL . 25194 1 50 146 SER . 25194 1 51 147 ASP . 25194 1 52 148 GLU . 25194 1 53 149 GLU . 25194 1 54 150 LEU . 25194 1 55 151 GLY . 25194 1 56 152 GLU . 25194 1 57 153 TYR . 25194 1 58 154 GLN . 25194 1 59 155 ASP . 25194 1 60 156 VAL . 25194 1 61 157 LEU . 25194 1 62 158 ALA . 25194 1 63 159 GLU . 25194 1 64 160 VAL . 25194 1 65 161 ARG . 25194 1 66 162 VAL . 25194 1 67 163 PHE . 25194 1 68 164 ASP . 25194 1 69 165 SER . 25194 1 70 166 VAL . 25194 1 71 167 SER . 25194 1 72 168 GLY . 25194 1 73 169 LYS . 25194 1 74 170 SER . 25194 1 75 171 ILE . 25194 1 76 172 PRO . 25194 1 77 173 ARG . 25194 1 78 174 SER . 25194 1 79 175 GLU . 25194 1 80 176 TRP . 25194 1 81 177 GLY . 25194 1 82 178 ARG . 25194 1 83 179 ILE . 25194 1 84 180 ASP . 25194 1 85 181 LYS . 25194 1 86 182 ASP . 25194 1 87 183 GLY . 25194 1 88 184 SER . 25194 1 89 185 ASN . 25194 1 90 186 SER . 25194 1 91 187 LYS . 25194 1 92 188 GLN . 25194 1 93 189 SER . 25194 1 94 190 ARG . 25194 1 95 191 THR . 25194 1 96 192 GLU . 25194 1 97 193 TRP . 25194 1 98 194 ASP . 25194 1 99 195 TYR . 25194 1 100 196 GLY . 25194 1 101 197 GLU . 25194 1 102 198 ILE . 25194 1 103 199 HIS . 25194 1 104 200 SER . 25194 1 105 201 ILE . 25194 1 106 202 ARG . 25194 1 107 203 GLY . 25194 1 108 204 LYS . 25194 1 109 205 SER . 25194 1 110 206 LEU . 25194 1 111 207 THR . 25194 1 112 208 GLU . 25194 1 113 209 ALA . 25194 1 114 210 PHE . 25194 1 115 211 ALA . 25194 1 116 212 VAL . 25194 1 117 213 GLU . 25194 1 118 214 ILE . 25194 1 119 215 ASN . 25194 1 120 216 ASP . 25194 1 121 217 ASP . 25194 1 122 218 PHE . 25194 1 123 219 LYS . 25194 1 124 220 LEU . 25194 1 125 221 ALA . 25194 1 126 222 THR . 25194 1 127 223 LYS . 25194 1 128 224 VAL . 25194 1 129 225 GLY . 25194 1 130 226 ASN . 25194 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 . SER 1 1 25194 1 . ASP 2 2 25194 1 . LYS 3 3 25194 1 . GLY 4 4 25194 1 . ALA 5 5 25194 1 . VAL 6 6 25194 1 . LYS 7 7 25194 1 . ALA 8 8 25194 1 . LEU 9 9 25194 1 . ARG 10 10 25194 1 . LEU 11 11 25194 1 . GLN 12 12 25194 1 . ASN 13 13 25194 1 . PHE 14 14 25194 1 . ASP 15 15 25194 1 . VAL 16 16 25194 1 . THR 17 17 25194 1 . SER 18 18 25194 1 . ASP 19 19 25194 1 . ILE 20 20 25194 1 . SER 21 21 25194 1 . ASP 22 22 25194 1 . ASP 23 23 25194 1 . ASN 24 24 25194 1 . PHE 25 25 25194 1 . VAL 26 26 25194 1 . ILE 27 27 25194 1 . ASP 28 28 25194 1 . LYS 29 29 25194 1 . ASN 30 30 25194 1 . ASP 31 31 25194 1 . SER 32 32 25194 1 . ARG 33 33 25194 1 . LYS 34 34 25194 1 . ILE 35 35 25194 1 . ASP 36 36 25194 1 . TYR 37 37 25194 1 . MET 38 38 25194 1 . GLY 39 39 25194 1 . ASN 40 40 25194 1 . ILE 41 41 25194 1 . TYR 42 42 25194 1 . SER 43 43 25194 1 . ILE 44 44 25194 1 . SER 45 45 25194 1 . ASP 46 46 25194 1 . THR 47 47 25194 1 . THR 48 48 25194 1 . VAL 49 49 25194 1 . SER 50 50 25194 1 . ASP 51 51 25194 1 . GLU 52 52 25194 1 . GLU 53 53 25194 1 . LEU 54 54 25194 1 . GLY 55 55 25194 1 . GLU 56 56 25194 1 . TYR 57 57 25194 1 . GLN 58 58 25194 1 . ASP 59 59 25194 1 . VAL 60 60 25194 1 . LEU 61 61 25194 1 . ALA 62 62 25194 1 . GLU 63 63 25194 1 . VAL 64 64 25194 1 . ARG 65 65 25194 1 . VAL 66 66 25194 1 . PHE 67 67 25194 1 . ASP 68 68 25194 1 . SER 69 69 25194 1 . VAL 70 70 25194 1 . SER 71 71 25194 1 . GLY 72 72 25194 1 . LYS 73 73 25194 1 . SER 74 74 25194 1 . ILE 75 75 25194 1 . PRO 76 76 25194 1 . ARG 77 77 25194 1 . SER 78 78 25194 1 . GLU 79 79 25194 1 . TRP 80 80 25194 1 . GLY 81 81 25194 1 . ARG 82 82 25194 1 . ILE 83 83 25194 1 . ASP 84 84 25194 1 . LYS 85 85 25194 1 . ASP 86 86 25194 1 . GLY 87 87 25194 1 . SER 88 88 25194 1 . ASN 89 89 25194 1 . SER 90 90 25194 1 . LYS 91 91 25194 1 . GLN 92 92 25194 1 . SER 93 93 25194 1 . ARG 94 94 25194 1 . THR 95 95 25194 1 . GLU 96 96 25194 1 . TRP 97 97 25194 1 . ASP 98 98 25194 1 . TYR 99 99 25194 1 . GLY 100 100 25194 1 . GLU 101 101 25194 1 . ILE 102 102 25194 1 . HIS 103 103 25194 1 . SER 104 104 25194 1 . ILE 105 105 25194 1 . ARG 106 106 25194 1 . GLY 107 107 25194 1 . LYS 108 108 25194 1 . SER 109 109 25194 1 . LEU 110 110 25194 1 . THR 111 111 25194 1 . GLU 112 112 25194 1 . ALA 113 113 25194 1 . PHE 114 114 25194 1 . ALA 115 115 25194 1 . VAL 116 116 25194 1 . GLU 117 117 25194 1 . ILE 118 118 25194 1 . ASN 119 119 25194 1 . ASP 120 120 25194 1 . ASP 121 121 25194 1 . PHE 122 122 25194 1 . LYS 123 123 25194 1 . LEU 124 124 25194 1 . ALA 125 125 25194 1 . THR 126 126 25194 1 . LYS 127 127 25194 1 . VAL 128 128 25194 1 . GLY 129 129 25194 1 . ASN 130 130 25194 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 25194 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NisI . 1358 organism . 'Lactococcus lactis' firmicutes . . Bacteria . Lactococcus lactis . . . . . . . . . . . . . 25194 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 25194 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NisI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a-SUMO . . . 25194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25194 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25194 1 3 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25194 1 4 NisI97-226 [U-15N] . . 1 $NisI . . 400 . . uM . . . . 25194 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25194 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25194 1 stop_ save_ save_15N13C _Sample.Sf_category sample _Sample.Sf_framecode 15N13C _Sample.Entry_ID 25194 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25194 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25194 2 3 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 25194 2 4 NisI97-226 '[U-13C; U-15N]' . . 1 $NisI . . 400 . . uM . . . . 25194 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25194 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25194 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25194 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25194 1 pH 6.5 . pH 25194 1 pressure 1 . atm 25194 1 temperature 298 . K 25194 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25194 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25194 1 'data analysis' 25194 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25194 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25194 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25194 2 'data analysis' 25194 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25194 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25194 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25194 3 'data analysis' 25194 3 processing 25194 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25194 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25194 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25194 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25194 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25194 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25194 1 2 spectrometer_2 Bruker Avance . 700 . . . 25194 1 3 spectrometer_3 Bruker Avance . 800 . . . 25194 1 4 spectrometer_4 Bruker Avance . 950 . . . 25194 1 5 spectrometer_5 Bruker Avance . 900 . . . 25194 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 25194 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 5 '3D HNCO' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 6 '3D HNCACB' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 13 '3D HNCACO' no . . . . . . . . . . 2 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25194 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25194 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25194 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25194 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 25194 1 3 '2D 1H-13C HSQC aromatic' . . . 25194 1 4 '3D CBCA(CO)NH' . . . 25194 1 5 '3D HNCO' . . . 25194 1 6 '3D HNCACB' . . . 25194 1 7 '3D HBHA(CO)NH' . . . 25194 1 8 '3D H(CCO)NH' . . . 25194 1 9 '3D C(CO)NH' . . . 25194 1 11 '3D 1H-13C NOESY aliphatic' . . . 25194 1 12 '3D 1H-13C NOESY aromatic' . . . 25194 1 13 '3D HNCACO' . . . 25194 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.692 0.05 . 1 . . . . 98 Asp HA . 25194 1 2 . 1 1 2 2 ASP HB2 H 1 2.720 0.05 . 2 . . . . 98 Asp HB2 . 25194 1 3 . 1 1 2 2 ASP HB3 H 1 2.656 0.05 . 2 . . . . 98 Asp HB3 . 25194 1 4 . 1 1 2 2 ASP C C 13 176.394 0.20 . 1 . . . . 98 Asp C . 25194 1 5 . 1 1 2 2 ASP CA C 13 54.370 0.20 . 1 . . . . 98 Asp CA . 25194 1 6 . 1 1 2 2 ASP CB C 13 41.171 0.20 . 1 . . . . 98 Asp CB . 25194 1 7 . 1 1 3 3 LYS H H 1 8.499 0.05 . 1 . . . . 99 Lys H . 25194 1 8 . 1 1 3 3 LYS HA H 1 4.265 0.05 . 1 . . . . 99 Lys HA . 25194 1 9 . 1 1 3 3 LYS HB2 H 1 1.881 0.05 . 2 . . . . 99 Lys HB2 . 25194 1 10 . 1 1 3 3 LYS HB3 H 1 1.787 0.05 . 2 . . . . 99 Lys HB3 . 25194 1 11 . 1 1 3 3 LYS HG2 H 1 1.442 0.05 . 1 . . . . 99 Lys HG2 . 25194 1 12 . 1 1 3 3 LYS HG3 H 1 1.442 0.05 . 1 . . . . 99 Lys HG3 . 25194 1 13 . 1 1 3 3 LYS HD2 H 1 1.676 0.05 . 1 . . . . 99 Lys HD2 . 25194 1 14 . 1 1 3 3 LYS HD3 H 1 1.676 0.05 . 1 . . . . 99 Lys HD3 . 25194 1 15 . 1 1 3 3 LYS HE2 H 1 2.990 0.05 . 1 . . . . 99 Lys HE2 . 25194 1 16 . 1 1 3 3 LYS HE3 H 1 2.990 0.05 . 1 . . . . 99 Lys HE3 . 25194 1 17 . 1 1 3 3 LYS C C 13 177.405 0.20 . 1 . . . . 99 Lys C . 25194 1 18 . 1 1 3 3 LYS CA C 13 56.976 0.20 . 1 . . . . 99 Lys CA . 25194 1 19 . 1 1 3 3 LYS CB C 13 32.693 0.20 . 1 . . . . 99 Lys CB . 25194 1 20 . 1 1 3 3 LYS CG C 13 24.746 0.20 . 1 . . . . 99 Lys CG . 25194 1 21 . 1 1 3 3 LYS CD C 13 29.010 0.20 . 1 . . . . 99 Lys CD . 25194 1 22 . 1 1 3 3 LYS CE C 13 42.025 0.20 . 1 . . . . 99 Lys CE . 25194 1 23 . 1 1 3 3 LYS N N 15 122.390 0.30 . 1 . . . . 99 Lys N . 25194 1 24 . 1 1 4 4 GLY H H 1 8.495 0.05 . 1 . . . . 100 Gly H . 25194 1 25 . 1 1 4 4 GLY HA2 H 1 3.923 0.05 . 1 . . . . 100 Gly HA2 . 25194 1 26 . 1 1 4 4 GLY HA3 H 1 3.923 0.05 . 1 . . . . 100 Gly HA3 . 25194 1 27 . 1 1 4 4 GLY C C 13 173.815 0.20 . 1 . . . . 100 Gly C . 25194 1 28 . 1 1 4 4 GLY CA C 13 45.486 0.20 . 1 . . . . 100 Gly CA . 25194 1 29 . 1 1 4 4 GLY N N 15 109.651 0.30 . 1 . . . . 100 Gly N . 25194 1 30 . 1 1 5 5 ALA H H 1 8.055 0.05 . 1 . . . . 101 Ala H . 25194 1 31 . 1 1 5 5 ALA HA H 1 4.319 0.05 . 1 . . . . 101 Ala HA . 25194 1 32 . 1 1 5 5 ALA HB1 H 1 1.394 0.05 . 1 . . . . 101 Ala HB1 . 25194 1 33 . 1 1 5 5 ALA HB2 H 1 1.394 0.05 . 1 . . . . 101 Ala HB2 . 25194 1 34 . 1 1 5 5 ALA HB3 H 1 1.394 0.05 . 1 . . . . 101 Ala HB3 . 25194 1 35 . 1 1 5 5 ALA C C 13 178.104 0.20 . 1 . . . . 101 Ala C . 25194 1 36 . 1 1 5 5 ALA CA C 13 52.763 0.20 . 1 . . . . 101 Ala CA . 25194 1 37 . 1 1 5 5 ALA CB C 13 19.263 0.20 . 1 . . . . 101 Ala CB . 25194 1 38 . 1 1 5 5 ALA N N 15 123.889 0.30 . 1 . . . . 101 Ala N . 25194 1 39 . 1 1 6 6 VAL H H 1 8.051 0.05 . 1 . . . . 102 Val H . 25194 1 40 . 1 1 6 6 VAL HA H 1 4.016 0.05 . 1 . . . . 102 Val HA . 25194 1 41 . 1 1 6 6 VAL HB H 1 2.072 0.05 . 1 . . . . 102 Val HB . 25194 1 42 . 1 1 6 6 VAL HG11 H 1 0.936 0.05 . 1 . . . . 102 Val HG11 . 25194 1 43 . 1 1 6 6 VAL HG12 H 1 0.936 0.05 . 1 . . . . 102 Val HG12 . 25194 1 44 . 1 1 6 6 VAL HG13 H 1 0.936 0.05 . 1 . . . . 102 Val HG13 . 25194 1 45 . 1 1 6 6 VAL HG21 H 1 0.936 0.05 . 1 . . . . 102 Val HG21 . 25194 1 46 . 1 1 6 6 VAL HG22 H 1 0.936 0.05 . 1 . . . . 102 Val HG22 . 25194 1 47 . 1 1 6 6 VAL HG23 H 1 0.936 0.05 . 1 . . . . 102 Val HG23 . 25194 1 48 . 1 1 6 6 VAL C C 13 176.625 0.20 . 1 . . . . 102 Val C . 25194 1 49 . 1 1 6 6 VAL CA C 13 62.896 0.20 . 1 . . . . 102 Val CA . 25194 1 50 . 1 1 6 6 VAL CB C 13 32.600 0.20 . 1 . . . . 102 Val CB . 25194 1 51 . 1 1 6 6 VAL CG1 C 13 21.172 0.20 . 1 . . . . 102 Val CG1 . 25194 1 52 . 1 1 6 6 VAL N N 15 119.472 0.30 . 1 . . . . 102 Val N . 25194 1 53 . 1 1 7 7 LYS H H 1 8.313 0.05 . 1 . . . . 103 Lys H . 25194 1 54 . 1 1 7 7 LYS HA H 1 4.254 0.05 . 1 . . . . 103 Lys HA . 25194 1 55 . 1 1 7 7 LYS HB2 H 1 1.866 0.05 . 2 . . . . 103 Lys HB2 . 25194 1 56 . 1 1 7 7 LYS HB3 H 1 1.785 0.05 . 2 . . . . 103 Lys HB3 . 25194 1 57 . 1 1 7 7 LYS HG2 H 1 1.437 0.05 . 1 . . . . 103 Lys HG2 . 25194 1 58 . 1 1 7 7 LYS HG3 H 1 1.437 0.05 . 1 . . . . 103 Lys HG3 . 25194 1 59 . 1 1 7 7 LYS HD2 H 1 1.677 0.05 . 1 . . . . 103 Lys HD2 . 25194 1 60 . 1 1 7 7 LYS HD3 H 1 1.677 0.05 . 1 . . . . 103 Lys HD3 . 25194 1 61 . 1 1 7 7 LYS HE2 H 1 2.991 0.05 . 1 . . . . 103 Lys HE2 . 25194 1 62 . 1 1 7 7 LYS HE3 H 1 2.991 0.05 . 1 . . . . 103 Lys HE3 . 25194 1 63 . 1 1 7 7 LYS C C 13 176.515 0.20 . 1 . . . . 103 Lys C . 25194 1 64 . 1 1 7 7 LYS CA C 13 56.931 0.20 . 1 . . . . 103 Lys CA . 25194 1 65 . 1 1 7 7 LYS CB C 13 32.685 0.20 . 1 . . . . 103 Lys CB . 25194 1 66 . 1 1 7 7 LYS CG C 13 24.675 0.20 . 1 . . . . 103 Lys CG . 25194 1 67 . 1 1 7 7 LYS CD C 13 29.098 0.20 . 1 . . . . 103 Lys CD . 25194 1 68 . 1 1 7 7 LYS CE C 13 42.025 0.20 . 1 . . . . 103 Lys CE . 25194 1 69 . 1 1 7 7 LYS N N 15 124.993 0.30 . 1 . . . . 103 Lys N . 25194 1 70 . 1 1 8 8 ALA H H 1 8.204 0.05 . 1 . . . . 104 Ala H . 25194 1 71 . 1 1 8 8 ALA HA H 1 4.265 0.05 . 1 . . . . 104 Ala HA . 25194 1 72 . 1 1 8 8 ALA HB1 H 1 1.385 0.05 . 1 . . . . 104 Ala HB1 . 25194 1 73 . 1 1 8 8 ALA HB2 H 1 1.385 0.05 . 1 . . . . 104 Ala HB2 . 25194 1 74 . 1 1 8 8 ALA HB3 H 1 1.385 0.05 . 1 . . . . 104 Ala HB3 . 25194 1 75 . 1 1 8 8 ALA C C 13 177.816 0.20 . 1 . . . . 104 Ala C . 25194 1 76 . 1 1 8 8 ALA CA C 13 52.716 0.20 . 1 . . . . 104 Ala CA . 25194 1 77 . 1 1 8 8 ALA CB C 13 19.120 0.20 . 1 . . . . 104 Ala CB . 25194 1 78 . 1 1 8 8 ALA N N 15 124.495 0.30 . 1 . . . . 104 Ala N . 25194 1 79 . 1 1 9 9 LEU H H 1 8.101 0.05 . 1 . . . . 105 Leu H . 25194 1 80 . 1 1 9 9 LEU HA H 1 4.272 0.05 . 1 . . . . 105 Leu HA . 25194 1 81 . 1 1 9 9 LEU HB2 H 1 1.658 0.05 . 2 . . . . 105 Leu HB2 . 25194 1 82 . 1 1 9 9 LEU HB3 H 1 1.581 0.05 . 2 . . . . 105 Leu HB3 . 25194 1 83 . 1 1 9 9 LEU HD11 H 1 0.922 0.05 . 2 . . . . 105 Leu HD11 . 25194 1 84 . 1 1 9 9 LEU HD12 H 1 0.922 0.05 . 2 . . . . 105 Leu HD12 . 25194 1 85 . 1 1 9 9 LEU HD13 H 1 0.922 0.05 . 2 . . . . 105 Leu HD13 . 25194 1 86 . 1 1 9 9 LEU HD21 H 1 0.873 0.05 . 2 . . . . 105 Leu HD21 . 25194 1 87 . 1 1 9 9 LEU HD22 H 1 0.873 0.05 . 2 . . . . 105 Leu HD22 . 25194 1 88 . 1 1 9 9 LEU HD23 H 1 0.873 0.05 . 2 . . . . 105 Leu HD23 . 25194 1 89 . 1 1 9 9 LEU C C 13 177.521 0.20 . 1 . . . . 105 Leu C . 25194 1 90 . 1 1 9 9 LEU CA C 13 55.458 0.20 . 1 . . . . 105 Leu CA . 25194 1 91 . 1 1 9 9 LEU CB C 13 42.317 0.20 . 1 . . . . 105 Leu CB . 25194 1 92 . 1 1 9 9 LEU CD1 C 13 24.999 0.20 . 1 . . . . 105 Leu CD1 . 25194 1 93 . 1 1 9 9 LEU CD2 C 13 23.424 0.20 . 1 . . . . 105 Leu CD2 . 25194 1 94 . 1 1 9 9 LEU N N 15 121.309 0.30 . 1 . . . . 105 Leu N . 25194 1 95 . 1 1 10 10 ARG H H 1 8.232 0.05 . 1 . . . . 106 Arg H . 25194 1 96 . 1 1 10 10 ARG HA H 1 4.319 0.05 . 1 . . . . 106 Arg HA . 25194 1 97 . 1 1 10 10 ARG HB2 H 1 1.819 0.05 . 1 . . . . 106 Arg HB2 . 25194 1 98 . 1 1 10 10 ARG HB3 H 1 1.819 0.05 . 1 . . . . 106 Arg HB3 . 25194 1 99 . 1 1 10 10 ARG HG2 H 1 1.587 0.05 . 1 . . . . 106 Arg HG2 . 25194 1 100 . 1 1 10 10 ARG HG3 H 1 1.632 0.05 . 1 . . . . 106 Arg HG3 . 25194 1 101 . 1 1 10 10 ARG HD2 H 1 3.186 0.05 . 1 . . . . 106 Arg HD2 . 25194 1 102 . 1 1 10 10 ARG HD3 H 1 3.186 0.05 . 1 . . . . 106 Arg HD3 . 25194 1 103 . 1 1 10 10 ARG CA C 13 56.278 0.20 . 1 . . . . 106 Arg CA . 25194 1 104 . 1 1 10 10 ARG CB C 13 30.639 0.20 . 1 . . . . 106 Arg CB . 25194 1 105 . 1 1 10 10 ARG CG C 13 27.147 0.20 . 1 . . . . 106 Arg CG . 25194 1 106 . 1 1 10 10 ARG CD C 13 43.419 0.20 . 1 . . . . 106 Arg CD . 25194 1 107 . 1 1 10 10 ARG N N 15 121.550 0.30 . 1 . . . . 106 Arg N . 25194 1 108 . 1 1 11 11 LEU H H 1 8.197 0.05 . 1 . . . . 107 Leu H . 25194 1 109 . 1 1 11 11 LEU HA H 1 4.321 0.05 . 1 . . . . 107 Leu HA . 25194 1 110 . 1 1 11 11 LEU HB2 H 1 1.659 0.05 . 2 . . . . 107 Leu HB2 . 25194 1 111 . 1 1 11 11 LEU HB3 H 1 1.591 0.05 . 2 . . . . 107 Leu HB3 . 25194 1 112 . 1 1 11 11 LEU HD11 H 1 0.873 0.05 . 2 . . . . 107 Leu HD11 . 25194 1 113 . 1 1 11 11 LEU HD12 H 1 0.873 0.05 . 2 . . . . 107 Leu HD12 . 25194 1 114 . 1 1 11 11 LEU HD13 H 1 0.873 0.05 . 2 . . . . 107 Leu HD13 . 25194 1 115 . 1 1 11 11 LEU HD21 H 1 0.918 0.05 . 2 . . . . 107 Leu HD21 . 25194 1 116 . 1 1 11 11 LEU HD22 H 1 0.918 0.05 . 2 . . . . 107 Leu HD22 . 25194 1 117 . 1 1 11 11 LEU HD23 H 1 0.918 0.05 . 2 . . . . 107 Leu HD23 . 25194 1 118 . 1 1 11 11 LEU C C 13 177.078 0.20 . 1 . . . . 107 Leu C . 25194 1 119 . 1 1 11 11 LEU CA C 13 55.279 0.20 . 1 . . . . 107 Leu CA . 25194 1 120 . 1 1 11 11 LEU CB C 13 42.319 0.20 . 1 . . . . 107 Leu CB . 25194 1 121 . 1 1 11 11 LEU CD1 C 13 23.903 0.20 . 1 . . . . 107 Leu CD1 . 25194 1 122 . 1 1 11 11 LEU CD2 C 13 24.534 0.20 . 1 . . . . 107 Leu CD2 . 25194 1 123 . 1 1 11 11 LEU N N 15 122.855 0.30 . 1 . . . . 107 Leu N . 25194 1 124 . 1 1 12 12 GLN H H 1 8.232 0.05 . 1 . . . . 108 Gln H . 25194 1 125 . 1 1 12 12 GLN HA H 1 4.250 0.05 . 1 . . . . 108 Gln HA . 25194 1 126 . 1 1 12 12 GLN HB2 H 1 1.977 0.05 . 2 . . . . 108 Gln HB2 . 25194 1 127 . 1 1 12 12 GLN HB3 H 1 1.911 0.05 . 2 . . . . 108 Gln HB3 . 25194 1 128 . 1 1 12 12 GLN HG2 H 1 2.268 0.05 . 1 . . . . 108 Gln HG2 . 25194 1 129 . 1 1 12 12 GLN HG3 H 1 2.268 0.05 . 1 . . . . 108 Gln HG3 . 25194 1 130 . 1 1 12 12 GLN HE21 H 1 7.137 0.05 . 1 . . . . 108 Gln HE21 . 25194 1 131 . 1 1 12 12 GLN HE22 H 1 6.738 0.05 . 1 . . . . 108 Gln HE22 . 25194 1 132 . 1 1 12 12 GLN C C 13 175.187 0.20 . 1 . . . . 108 Gln C . 25194 1 133 . 1 1 12 12 GLN CA C 13 55.802 0.20 . 1 . . . . 108 Gln CA . 25194 1 134 . 1 1 12 12 GLN CB C 13 29.548 0.20 . 1 . . . . 108 Gln CB . 25194 1 135 . 1 1 12 12 GLN CG C 13 33.686 0.20 . 1 . . . . 108 Gln CG . 25194 1 136 . 1 1 12 12 GLN N N 15 120.212 0.30 . 1 . . . . 108 Gln N . 25194 1 137 . 1 1 12 12 GLN NE2 N 15 113.527 0.30 . 1 . . . . 108 Gln NE2 . 25194 1 138 . 1 1 13 13 ASN H H 1 8.293 0.05 . 1 . . . . 109 Asn H . 25194 1 139 . 1 1 13 13 ASN HA H 1 4.643 0.05 . 1 . . . . 109 Asn HA . 25194 1 140 . 1 1 13 13 ASN HB2 H 1 2.764 0.05 . 2 . . . . 109 Asn HB2 . 25194 1 141 . 1 1 13 13 ASN HB3 H 1 2.683 0.05 . 2 . . . . 109 Asn HB3 . 25194 1 142 . 1 1 13 13 ASN HD21 H 1 7.566 0.05 . 1 . . . . 109 Asn HD21 . 25194 1 143 . 1 1 13 13 ASN HD22 H 1 6.862 0.05 . 1 . . . . 109 Asn HD22 . 25194 1 144 . 1 1 13 13 ASN C C 13 174.744 0.20 . 1 . . . . 109 Asn C . 25194 1 145 . 1 1 13 13 ASN CA C 13 53.118 0.20 . 1 . . . . 109 Asn CA . 25194 1 146 . 1 1 13 13 ASN CB C 13 38.856 0.20 . 1 . . . . 109 Asn CB . 25194 1 147 . 1 1 13 13 ASN N N 15 119.229 0.30 . 1 . . . . 109 Asn N . 25194 1 148 . 1 1 13 13 ASN ND2 N 15 112.768 0.30 . 1 . . . . 109 Asn ND2 . 25194 1 149 . 1 1 14 14 PHE H H 1 8.126 0.05 . 1 . . . . 110 Phe H . 25194 1 150 . 1 1 14 14 PHE HA H 1 4.613 0.05 . 1 . . . . 110 Phe HA . 25194 1 151 . 1 1 14 14 PHE HB2 H 1 3.191 0.05 . 2 . . . . 110 Phe HB2 . 25194 1 152 . 1 1 14 14 PHE HB3 H 1 3.002 0.05 . 2 . . . . 110 Phe HB3 . 25194 1 153 . 1 1 14 14 PHE HD1 H 1 7.247 0.05 . 3 . . . . 110 Phe HD1 . 25194 1 154 . 1 1 14 14 PHE HD2 H 1 7.247 0.05 . 3 . . . . 110 Phe HD2 . 25194 1 155 . 1 1 14 14 PHE C C 13 175.220 0.20 . 1 . . . . 110 Phe C . 25194 1 156 . 1 1 14 14 PHE CA C 13 57.870 0.20 . 1 . . . . 110 Phe CA . 25194 1 157 . 1 1 14 14 PHE CB C 13 39.607 0.20 . 1 . . . . 110 Phe CB . 25194 1 158 . 1 1 14 14 PHE CD1 C 13 131.885 0.20 . 3 . . . . 110 Phe CD1 . 25194 1 159 . 1 1 14 14 PHE CD2 C 13 131.885 0.20 . 3 . . . . 110 Phe CD2 . 25194 1 160 . 1 1 14 14 PHE N N 15 120.374 0.30 . 1 . . . . 110 Phe N . 25194 1 161 . 1 1 15 15 ASP H H 1 8.336 0.05 . 1 . . . . 111 Asp H . 25194 1 162 . 1 1 15 15 ASP HA H 1 4.636 0.05 . 1 . . . . 111 Asp HA . 25194 1 163 . 1 1 15 15 ASP HB2 H 1 2.708 0.05 . 2 . . . . 111 Asp HB2 . 25194 1 164 . 1 1 15 15 ASP HB3 H 1 2.590 0.05 . 2 . . . . 111 Asp HB3 . 25194 1 165 . 1 1 15 15 ASP C C 13 176.153 0.20 . 1 . . . . 111 Asp C . 25194 1 166 . 1 1 15 15 ASP CA C 13 54.401 0.20 . 1 . . . . 111 Asp CA . 25194 1 167 . 1 1 15 15 ASP CB C 13 41.166 0.20 . 1 . . . . 111 Asp CB . 25194 1 168 . 1 1 15 15 ASP N N 15 121.757 0.30 . 1 . . . . 111 Asp N . 25194 1 169 . 1 1 16 16 VAL H H 1 8.071 0.05 . 1 . . . . 112 Val H . 25194 1 170 . 1 1 16 16 VAL HA H 1 4.199 0.05 . 1 . . . . 112 Val HA . 25194 1 171 . 1 1 16 16 VAL HB H 1 2.175 0.05 . 1 . . . . 112 Val HB . 25194 1 172 . 1 1 16 16 VAL HG11 H 1 0.957 0.05 . 1 . . . . 112 Val HG11 . 25194 1 173 . 1 1 16 16 VAL HG12 H 1 0.957 0.05 . 1 . . . . 112 Val HG12 . 25194 1 174 . 1 1 16 16 VAL HG13 H 1 0.957 0.05 . 1 . . . . 112 Val HG13 . 25194 1 175 . 1 1 16 16 VAL HG21 H 1 0.957 0.05 . 1 . . . . 112 Val HG21 . 25194 1 176 . 1 1 16 16 VAL HG22 H 1 0.957 0.05 . 1 . . . . 112 Val HG22 . 25194 1 177 . 1 1 16 16 VAL HG23 H 1 0.957 0.05 . 1 . . . . 112 Val HG23 . 25194 1 178 . 1 1 16 16 VAL C C 13 176.448 0.20 . 1 . . . . 112 Val C . 25194 1 179 . 1 1 16 16 VAL CA C 13 62.368 0.20 . 1 . . . . 112 Val CA . 25194 1 180 . 1 1 16 16 VAL CB C 13 32.655 0.20 . 1 . . . . 112 Val CB . 25194 1 181 . 1 1 16 16 VAL CG1 C 13 20.263 0.20 . 1 . . . . 112 Val CG1 . 25194 1 182 . 1 1 16 16 VAL CG2 C 13 20.263 0.20 . 1 . . . . 112 Val CG2 . 25194 1 183 . 1 1 16 16 VAL N N 15 119.947 0.30 . 1 . . . . 112 Val N . 25194 1 184 . 1 1 17 17 THR H H 1 8.285 0.05 . 1 . . . . 113 Thr H . 25194 1 185 . 1 1 17 17 THR HA H 1 4.394 0.05 . 1 . . . . 113 Thr HA . 25194 1 186 . 1 1 17 17 THR HB H 1 4.261 0.05 . 1 . . . . 113 Thr HB . 25194 1 187 . 1 1 17 17 THR HG21 H 1 1.221 0.05 . 1 . . . . 113 Thr HG21 . 25194 1 188 . 1 1 17 17 THR HG22 H 1 1.221 0.05 . 1 . . . . 113 Thr HG22 . 25194 1 189 . 1 1 17 17 THR HG23 H 1 1.221 0.05 . 1 . . . . 113 Thr HG23 . 25194 1 190 . 1 1 17 17 THR C C 13 174.623 0.20 . 1 . . . . 113 Thr C . 25194 1 191 . 1 1 17 17 THR CA C 13 61.961 0.20 . 1 . . . . 113 Thr CA . 25194 1 192 . 1 1 17 17 THR CB C 13 69.745 0.20 . 1 . . . . 113 Thr CB . 25194 1 193 . 1 1 17 17 THR CG2 C 13 21.610 0.20 . 1 . . . . 113 Thr CG2 . 25194 1 194 . 1 1 17 17 THR N N 15 116.901 0.30 . 1 . . . . 113 Thr N . 25194 1 195 . 1 1 18 18 SER H H 1 8.213 0.05 . 1 . . . . 114 Ser H . 25194 1 196 . 1 1 18 18 SER HA H 1 4.480 0.05 . 1 . . . . 114 Ser HA . 25194 1 197 . 1 1 18 18 SER HB2 H 1 3.819 0.05 . 1 . . . . 114 Ser HB2 . 25194 1 198 . 1 1 18 18 SER HB3 H 1 3.819 0.05 . 1 . . . . 114 Ser HB3 . 25194 1 199 . 1 1 18 18 SER C C 13 174.020 0.20 . 1 . . . . 114 Ser C . 25194 1 200 . 1 1 18 18 SER CA C 13 58.114 0.20 . 1 . . . . 114 Ser CA . 25194 1 201 . 1 1 18 18 SER CB C 13 64.094 0.20 . 1 . . . . 114 Ser CB . 25194 1 202 . 1 1 18 18 SER N N 15 117.913 0.30 . 1 . . . . 114 Ser N . 25194 1 203 . 1 1 19 19 ASP H H 1 8.384 0.05 . 1 . . . . 115 Asp H . 25194 1 204 . 1 1 19 19 ASP HA H 1 4.637 0.05 . 1 . . . . 115 Asp HA . 25194 1 205 . 1 1 19 19 ASP HB2 H 1 2.712 0.05 . 2 . . . . 115 Asp HB2 . 25194 1 206 . 1 1 19 19 ASP HB3 H 1 2.590 0.05 . 2 . . . . 115 Asp HB3 . 25194 1 207 . 1 1 19 19 ASP C C 13 175.965 0.20 . 1 . . . . 115 Asp C . 25194 1 208 . 1 1 19 19 ASP CA C 13 54.319 0.20 . 1 . . . . 115 Asp CA . 25194 1 209 . 1 1 19 19 ASP CB C 13 41.116 0.20 . 1 . . . . 115 Asp CB . 25194 1 210 . 1 1 19 19 ASP N N 15 122.728 0.30 . 1 . . . . 115 Asp N . 25194 1 211 . 1 1 20 20 ILE H H 1 8.040 0.05 . 1 . . . . 116 Ile H . 25194 1 212 . 1 1 20 20 ILE HA H 1 4.213 0.05 . 1 . . . . 116 Ile HA . 25194 1 213 . 1 1 20 20 ILE HB H 1 1.874 0.05 . 1 . . . . 116 Ile HB . 25194 1 214 . 1 1 20 20 ILE HG12 H 1 1.447 0.05 . 2 . . . . 116 Ile HG12 . 25194 1 215 . 1 1 20 20 ILE HG13 H 1 1.170 0.05 . 2 . . . . 116 Ile HG13 . 25194 1 216 . 1 1 20 20 ILE HG21 H 1 0.893 0.05 . 1 . . . . 116 Ile HG21 . 25194 1 217 . 1 1 20 20 ILE HG22 H 1 0.893 0.05 . 1 . . . . 116 Ile HG22 . 25194 1 218 . 1 1 20 20 ILE HG23 H 1 0.893 0.05 . 1 . . . . 116 Ile HG23 . 25194 1 219 . 1 1 20 20 ILE HD11 H 1 0.839 0.05 . 1 . . . . 116 Ile HD11 . 25194 1 220 . 1 1 20 20 ILE HD12 H 1 0.839 0.05 . 1 . . . . 116 Ile HD12 . 25194 1 221 . 1 1 20 20 ILE HD13 H 1 0.839 0.05 . 1 . . . . 116 Ile HD13 . 25194 1 222 . 1 1 20 20 ILE C C 13 176.113 0.20 . 1 . . . . 116 Ile C . 25194 1 223 . 1 1 20 20 ILE CA C 13 61.008 0.20 . 1 . . . . 116 Ile CA . 25194 1 224 . 1 1 20 20 ILE CB C 13 38.904 0.20 . 1 . . . . 116 Ile CB . 25194 1 225 . 1 1 20 20 ILE CG1 C 13 27.162 0.20 . 1 . . . . 116 Ile CG1 . 25194 1 226 . 1 1 20 20 ILE CG2 C 13 17.545 0.20 . 1 . . . . 116 Ile CG2 . 25194 1 227 . 1 1 20 20 ILE CD1 C 13 13.005 0.20 . 1 . . . . 116 Ile CD1 . 25194 1 228 . 1 1 20 20 ILE N N 15 120.615 0.30 . 1 . . . . 116 Ile N . 25194 1 229 . 1 1 21 21 SER H H 1 8.373 0.05 . 1 . . . . 117 Ser H . 25194 1 230 . 1 1 21 21 SER HA H 1 4.471 0.05 . 1 . . . . 117 Ser HA . 25194 1 231 . 1 1 21 21 SER HB2 H 1 3.869 0.05 . 2 . . . . 117 Ser HB2 . 25194 1 232 . 1 1 21 21 SER HB3 H 1 3.811 0.05 . 2 . . . . 117 Ser HB3 . 25194 1 233 . 1 1 21 21 SER C C 13 174.447 0.20 . 1 . . . . 117 Ser C . 25194 1 234 . 1 1 21 21 SER CA C 13 58.096 0.20 . 1 . . . . 117 Ser CA . 25194 1 235 . 1 1 21 21 SER CB C 13 63.956 0.20 . 1 . . . . 117 Ser CB . 25194 1 236 . 1 1 21 21 SER N N 15 120.205 0.30 . 1 . . . . 117 Ser N . 25194 1 237 . 1 1 22 22 ASP H H 1 8.390 0.05 . 1 . . . . 118 Asp H . 25194 1 238 . 1 1 22 22 ASP HA H 1 4.575 0.05 . 1 . . . . 118 Asp HA . 25194 1 239 . 1 1 22 22 ASP HB2 H 1 2.666 0.05 . 2 . . . . 118 Asp HB2 . 25194 1 240 . 1 1 22 22 ASP HB3 H 1 2.575 0.05 . 2 . . . . 118 Asp HB3 . 25194 1 241 . 1 1 22 22 ASP C C 13 175.522 0.20 . 1 . . . . 118 Asp C . 25194 1 242 . 1 1 22 22 ASP CA C 13 54.840 0.20 . 1 . . . . 118 Asp CA . 25194 1 243 . 1 1 22 22 ASP CB C 13 40.904 0.20 . 1 . . . . 118 Asp CB . 25194 1 244 . 1 1 22 22 ASP N N 15 123.180 0.30 . 1 . . . . 118 Asp N . 25194 1 245 . 1 1 23 23 ASP H H 1 8.150 0.05 . 1 . . . . 119 Asp H . 25194 1 246 . 1 1 23 23 ASP HA H 1 4.459 0.05 . 1 . . . . 119 Asp HA . 25194 1 247 . 1 1 23 23 ASP HB2 H 1 2.566 0.05 . 1 . . . . 119 Asp HB2 . 25194 1 248 . 1 1 23 23 ASP HB3 H 1 2.566 0.05 . 1 . . . . 119 Asp HB3 . 25194 1 249 . 1 1 23 23 ASP C C 13 175.133 0.20 . 1 . . . . 119 Asp C . 25194 1 250 . 1 1 23 23 ASP CA C 13 54.039 0.20 . 1 . . . . 119 Asp CA . 25194 1 251 . 1 1 23 23 ASP CB C 13 40.766 0.20 . 1 . . . . 119 Asp CB . 25194 1 252 . 1 1 23 23 ASP N N 15 119.353 0.30 . 1 . . . . 119 Asp N . 25194 1 253 . 1 1 24 24 ASN H H 1 8.000 0.05 . 1 . . . . 120 Asn H . 25194 1 254 . 1 1 24 24 ASN HA H 1 4.760 0.05 . 1 . . . . 120 Asn HA . 25194 1 255 . 1 1 24 24 ASN HB2 H 1 2.686 0.05 . 1 . . . . 120 Asn HB2 . 25194 1 256 . 1 1 24 24 ASN HB3 H 1 2.686 0.05 . 1 . . . . 120 Asn HB3 . 25194 1 257 . 1 1 24 24 ASN HD21 H 1 7.712 0.05 . 1 . . . . 120 Asn HD21 . 25194 1 258 . 1 1 24 24 ASN HD22 H 1 6.948 0.05 . 1 . . . . 120 Asn HD22 . 25194 1 259 . 1 1 24 24 ASN C C 13 174.033 0.20 . 1 . . . . 120 Asn C . 25194 1 260 . 1 1 24 24 ASN CA C 13 53.114 0.20 . 1 . . . . 120 Asn CA . 25194 1 261 . 1 1 24 24 ASN CB C 13 40.400 0.20 . 1 . . . . 120 Asn CB . 25194 1 262 . 1 1 24 24 ASN N N 15 117.615 0.30 . 1 . . . . 120 Asn N . 25194 1 263 . 1 1 24 24 ASN ND2 N 15 113.461 0.30 . 1 . . . . 120 Asn ND2 . 25194 1 264 . 1 1 25 25 PHE H H 1 8.408 0.05 . 1 . . . . 121 Phe H . 25194 1 265 . 1 1 25 25 PHE HA H 1 4.696 0.05 . 1 . . . . 121 Phe HA . 25194 1 266 . 1 1 25 25 PHE HB2 H 1 2.700 0.05 . 2 . . . . 121 Phe HB2 . 25194 1 267 . 1 1 25 25 PHE HB3 H 1 2.235 0.05 . 2 . . . . 121 Phe HB3 . 25194 1 268 . 1 1 25 25 PHE HD1 H 1 6.518 0.05 . 3 . . . . 121 Phe HD1 . 25194 1 269 . 1 1 25 25 PHE HD2 H 1 6.518 0.05 . 3 . . . . 121 Phe HD2 . 25194 1 270 . 1 1 25 25 PHE C C 13 175.147 0.20 . 1 . . . . 121 Phe C . 25194 1 271 . 1 1 25 25 PHE CA C 13 57.500 0.20 . 1 . . . . 121 Phe CA . 25194 1 272 . 1 1 25 25 PHE CB C 13 40.380 0.20 . 1 . . . . 121 Phe CB . 25194 1 273 . 1 1 25 25 PHE CD1 C 13 131.092 0.20 . 3 . . . . 121 Phe CD1 . 25194 1 274 . 1 1 25 25 PHE CD2 C 13 131.092 0.20 . 3 . . . . 121 Phe CD2 . 25194 1 275 . 1 1 25 25 PHE N N 15 120.004 0.30 . 1 . . . . 121 Phe N . 25194 1 276 . 1 1 26 26 VAL H H 1 8.431 0.05 . 1 . . . . 122 Val H . 25194 1 277 . 1 1 26 26 VAL HA H 1 4.383 0.05 . 1 . . . . 122 Val HA . 25194 1 278 . 1 1 26 26 VAL HB H 1 2.023 0.05 . 1 . . . . 122 Val HB . 25194 1 279 . 1 1 26 26 VAL HG11 H 1 0.892 0.05 . 1 . . . . 122 Val HG11 . 25194 1 280 . 1 1 26 26 VAL HG12 H 1 0.892 0.05 . 1 . . . . 122 Val HG12 . 25194 1 281 . 1 1 26 26 VAL HG13 H 1 0.892 0.05 . 1 . . . . 122 Val HG13 . 25194 1 282 . 1 1 26 26 VAL C C 13 175.039 0.20 . 1 . . . . 122 Val C . 25194 1 283 . 1 1 26 26 VAL CA C 13 60.225 0.20 . 1 . . . . 122 Val CA . 25194 1 284 . 1 1 26 26 VAL CB C 13 36.131 0.20 . 1 . . . . 122 Val CB . 25194 1 285 . 1 1 26 26 VAL CG1 C 13 21.162 0.20 . 1 . . . . 122 Val CG1 . 25194 1 286 . 1 1 26 26 VAL N N 15 120.454 0.30 . 1 . . . . 122 Val N . 25194 1 287 . 1 1 27 27 ILE H H 1 8.847 0.05 . 1 . . . . 123 Ile H . 25194 1 288 . 1 1 27 27 ILE HA H 1 3.974 0.05 . 1 . . . . 123 Ile HA . 25194 1 289 . 1 1 27 27 ILE HB H 1 1.353 0.05 . 1 . . . . 123 Ile HB . 25194 1 290 . 1 1 27 27 ILE HG12 H 1 0.873 0.05 . 1 . . . . 123 Ile HG12 . 25194 1 291 . 1 1 27 27 ILE HG13 H 1 0.873 0.05 . 1 . . . . 123 Ile HG13 . 25194 1 292 . 1 1 27 27 ILE HG21 H 1 0.906 0.05 . 1 . . . . 123 Ile HG21 . 25194 1 293 . 1 1 27 27 ILE HG22 H 1 0.906 0.05 . 1 . . . . 123 Ile HG22 . 25194 1 294 . 1 1 27 27 ILE HG23 H 1 0.906 0.05 . 1 . . . . 123 Ile HG23 . 25194 1 295 . 1 1 27 27 ILE HD11 H 1 -0.139 0.05 . 1 . . . . 123 Ile HD11 . 25194 1 296 . 1 1 27 27 ILE HD12 H 1 -0.139 0.05 . 1 . . . . 123 Ile HD12 . 25194 1 297 . 1 1 27 27 ILE HD13 H 1 -0.139 0.05 . 1 . . . . 123 Ile HD13 . 25194 1 298 . 1 1 27 27 ILE C C 13 176.095 0.20 . 1 . . . . 123 Ile C . 25194 1 299 . 1 1 27 27 ILE CA C 13 63.173 0.20 . 1 . . . . 123 Ile CA . 25194 1 300 . 1 1 27 27 ILE CB C 13 38.205 0.20 . 1 . . . . 123 Ile CB . 25194 1 301 . 1 1 27 27 ILE CG1 C 13 28.606 0.20 . 1 . . . . 123 Ile CG1 . 25194 1 302 . 1 1 27 27 ILE CG2 C 13 17.809 0.20 . 1 . . . . 123 Ile CG2 . 25194 1 303 . 1 1 27 27 ILE CD1 C 13 12.961 0.20 . 1 . . . . 123 Ile CD1 . 25194 1 304 . 1 1 27 27 ILE N N 15 127.849 0.30 . 1 . . . . 123 Ile N . 25194 1 305 . 1 1 28 28 ASP H H 1 8.702 0.05 . 1 . . . . 124 Asp H . 25194 1 306 . 1 1 28 28 ASP HA H 1 4.221 0.05 . 1 . . . . 124 Asp HA . 25194 1 307 . 1 1 28 28 ASP HB2 H 1 3.571 0.05 . 2 . . . . 124 Asp HB2 . 25194 1 308 . 1 1 28 28 ASP HB3 H 1 2.238 0.05 . 2 . . . . 124 Asp HB3 . 25194 1 309 . 1 1 28 28 ASP C C 13 176.730 0.20 . 1 . . . . 124 Asp C . 25194 1 310 . 1 1 28 28 ASP CA C 13 55.793 0.20 . 1 . . . . 124 Asp CA . 25194 1 311 . 1 1 28 28 ASP CB C 13 43.241 0.20 . 1 . . . . 124 Asp CB . 25194 1 312 . 1 1 28 28 ASP N N 15 131.502 0.30 . 1 . . . . 124 Asp N . 25194 1 313 . 1 1 29 29 LYS H H 1 8.580 0.05 . 1 . . . . 125 Lys H . 25194 1 314 . 1 1 29 29 LYS HA H 1 3.964 0.05 . 1 . . . . 125 Lys HA . 25194 1 315 . 1 1 29 29 LYS HB2 H 1 1.791 0.05 . 1 . . . . 125 Lys HB2 . 25194 1 316 . 1 1 29 29 LYS HB3 H 1 1.791 0.05 . 1 . . . . 125 Lys HB3 . 25194 1 317 . 1 1 29 29 LYS HG2 H 1 1.449 0.05 . 1 . . . . 125 Lys HG2 . 25194 1 318 . 1 1 29 29 LYS HG3 H 1 1.449 0.05 . 1 . . . . 125 Lys HG3 . 25194 1 319 . 1 1 29 29 LYS HD2 H 1 1.683 0.05 . 1 . . . . 125 Lys HD2 . 25194 1 320 . 1 1 29 29 LYS HD3 H 1 1.683 0.05 . 1 . . . . 125 Lys HD3 . 25194 1 321 . 1 1 29 29 LYS HE2 H 1 3.000 0.05 . 1 . . . . 125 Lys HE2 . 25194 1 322 . 1 1 29 29 LYS HE3 H 1 3.000 0.05 . 1 . . . . 125 Lys HE3 . 25194 1 323 . 1 1 29 29 LYS C C 13 177.181 0.20 . 1 . . . . 125 Lys C . 25194 1 324 . 1 1 29 29 LYS CA C 13 58.598 0.20 . 1 . . . . 125 Lys CA . 25194 1 325 . 1 1 29 29 LYS CB C 13 32.528 0.20 . 1 . . . . 125 Lys CB . 25194 1 326 . 1 1 29 29 LYS CG C 13 24.702 0.20 . 1 . . . . 125 Lys CG . 25194 1 327 . 1 1 29 29 LYS CD C 13 29.137 0.20 . 1 . . . . 125 Lys CD . 25194 1 328 . 1 1 29 29 LYS CE C 13 42.114 0.20 . 1 . . . . 125 Lys CE . 25194 1 329 . 1 1 29 29 LYS N N 15 123.744 0.30 . 1 . . . . 125 Lys N . 25194 1 330 . 1 1 30 30 ASN H H 1 8.442 0.05 . 1 . . . . 126 Asn H . 25194 1 331 . 1 1 30 30 ASN HA H 1 4.809 0.05 . 1 . . . . 126 Asn HA . 25194 1 332 . 1 1 30 30 ASN HB2 H 1 2.764 0.05 . 1 . . . . 126 Asn HB2 . 25194 1 333 . 1 1 30 30 ASN HB3 H 1 2.764 0.05 . 1 . . . . 126 Asn HB3 . 25194 1 334 . 1 1 30 30 ASN HD21 H 1 7.031 0.05 . 1 . . . . 126 Asn HD21 . 25194 1 335 . 1 1 30 30 ASN HD22 H 1 7.914 0.05 . 1 . . . . 126 Asn HD22 . 25194 1 336 . 1 1 30 30 ASN C C 13 174.802 0.20 . 1 . . . . 126 Asn C . 25194 1 337 . 1 1 30 30 ASN CA C 13 54.073 0.20 . 1 . . . . 126 Asn CA . 25194 1 338 . 1 1 30 30 ASN CB C 13 40.298 0.20 . 1 . . . . 126 Asn CB . 25194 1 339 . 1 1 30 30 ASN N N 15 116.501 0.30 . 1 . . . . 126 Asn N . 25194 1 340 . 1 1 30 30 ASN ND2 N 15 115.567 0.30 . 1 . . . . 126 Asn ND2 . 25194 1 341 . 1 1 31 31 ASP H H 1 7.869 0.05 . 1 . . . . 127 Asp H . 25194 1 342 . 1 1 31 31 ASP HA H 1 4.420 0.05 . 1 . . . . 127 Asp HA . 25194 1 343 . 1 1 31 31 ASP HB2 H 1 2.480 0.05 . 2 . . . . 127 Asp HB2 . 25194 1 344 . 1 1 31 31 ASP HB3 H 1 2.618 0.05 . 2 . . . . 127 Asp HB3 . 25194 1 345 . 1 1 31 31 ASP C C 13 174.919 0.20 . 1 . . . . 127 Asp C . 25194 1 346 . 1 1 31 31 ASP CA C 13 53.138 0.20 . 1 . . . . 127 Asp CA . 25194 1 347 . 1 1 31 31 ASP CB C 13 42.119 0.20 . 1 . . . . 127 Asp CB . 25194 1 348 . 1 1 31 31 ASP N N 15 119.894 0.30 . 1 . . . . 127 Asp N . 25194 1 349 . 1 1 32 32 SER H H 1 8.580 0.05 . 1 . . . . 128 Ser H . 25194 1 350 . 1 1 32 32 SER HA H 1 4.153 0.05 . 1 . . . . 128 Ser HA . 25194 1 351 . 1 1 32 32 SER HB2 H 1 3.747 0.05 . 2 . . . . 128 Ser HB2 . 25194 1 352 . 1 1 32 32 SER HB3 H 1 3.633 0.05 . 2 . . . . 128 Ser HB3 . 25194 1 353 . 1 1 32 32 SER C C 13 172.732 0.20 . 1 . . . . 128 Ser C . 25194 1 354 . 1 1 32 32 SER CA C 13 60.865 0.20 . 1 . . . . 128 Ser CA . 25194 1 355 . 1 1 32 32 SER CB C 13 63.408 0.20 . 1 . . . . 128 Ser CB . 25194 1 356 . 1 1 32 32 SER N N 15 119.315 0.30 . 1 . . . . 128 Ser N . 25194 1 357 . 1 1 33 33 ARG H H 1 8.179 0.05 . 1 . . . . 129 Arg H . 25194 1 358 . 1 1 33 33 ARG HA H 1 4.610 0.05 . 1 . . . . 129 Arg HA . 25194 1 359 . 1 1 33 33 ARG HB2 H 1 2.321 0.05 . 1 . . . . 129 Arg HB2 . 25194 1 360 . 1 1 33 33 ARG HB3 H 1 2.321 0.05 . 1 . . . . 129 Arg HB3 . 25194 1 361 . 1 1 33 33 ARG HD2 H 1 3.161 0.05 . 1 . . . . 129 Arg HD2 . 25194 1 362 . 1 1 33 33 ARG HD3 H 1 3.161 0.05 . 1 . . . . 129 Arg HD3 . 25194 1 363 . 1 1 33 33 ARG HE H 1 7.966 0.05 . 1 . . . . 129 Arg HE . 25194 1 364 . 1 1 33 33 ARG C C 13 174.167 0.20 . 1 . . . . 129 Arg C . 25194 1 365 . 1 1 33 33 ARG CA C 13 55.427 0.20 . 1 . . . . 129 Arg CA . 25194 1 366 . 1 1 33 33 ARG CB C 13 29.181 0.20 . 1 . . . . 129 Arg CB . 25194 1 367 . 1 1 33 33 ARG CD C 13 43.279 0.20 . 1 . . . . 129 Arg CD . 25194 1 368 . 1 1 33 33 ARG N N 15 116.945 0.30 . 1 . . . . 129 Arg N . 25194 1 369 . 1 1 33 33 ARG NE N 15 117.988 0.30 . 1 . . . . 129 Arg NE . 25194 1 370 . 1 1 34 34 LYS H H 1 8.027 0.05 . 1 . . . . 130 Lys H . 25194 1 371 . 1 1 34 34 LYS HA H 1 5.624 0.05 . 1 . . . . 130 Lys HA . 25194 1 372 . 1 1 34 34 LYS HB2 H 1 1.732 0.05 . 2 . . . . 130 Lys HB2 . 25194 1 373 . 1 1 34 34 LYS HB3 H 1 1.912 0.05 . 2 . . . . 130 Lys HB3 . 25194 1 374 . 1 1 34 34 LYS HG2 H 1 1.211 0.05 . 2 . . . . 130 Lys HG2 . 25194 1 375 . 1 1 34 34 LYS HG3 H 1 1.274 0.05 . 2 . . . . 130 Lys HG3 . 25194 1 376 . 1 1 34 34 LYS HD2 H 1 1.580 0.05 . 1 . . . . 130 Lys HD2 . 25194 1 377 . 1 1 34 34 LYS HD3 H 1 1.580 0.05 . 1 . . . . 130 Lys HD3 . 25194 1 378 . 1 1 34 34 LYS HE2 H 1 2.880 0.05 . 1 . . . . 130 Lys HE2 . 25194 1 379 . 1 1 34 34 LYS HE3 H 1 2.880 0.05 . 1 . . . . 130 Lys HE3 . 25194 1 380 . 1 1 34 34 LYS C C 13 174.543 0.20 . 1 . . . . 130 Lys C . 25194 1 381 . 1 1 34 34 LYS CA C 13 54.067 0.20 . 1 . . . . 130 Lys CA . 25194 1 382 . 1 1 34 34 LYS CB C 13 36.084 0.20 . 1 . . . . 130 Lys CB . 25194 1 383 . 1 1 34 34 LYS CG C 13 26.271 0.20 . 1 . . . . 130 Lys CG . 25194 1 384 . 1 1 34 34 LYS CD C 13 29.361 0.20 . 1 . . . . 130 Lys CD . 25194 1 385 . 1 1 34 34 LYS CE C 13 42.469 0.20 . 1 . . . . 130 Lys CE . 25194 1 386 . 1 1 34 34 LYS N N 15 119.357 0.30 . 1 . . . . 130 Lys N . 25194 1 387 . 1 1 35 35 ILE H H 1 9.093 0.05 . 1 . . . . 131 Ile H . 25194 1 388 . 1 1 35 35 ILE HA H 1 4.887 0.05 . 1 . . . . 131 Ile HA . 25194 1 389 . 1 1 35 35 ILE HB H 1 1.877 0.05 . 1 . . . . 131 Ile HB . 25194 1 390 . 1 1 35 35 ILE HG21 H 1 1.112 0.05 . 1 . . . . 131 Ile HG21 . 25194 1 391 . 1 1 35 35 ILE HG22 H 1 1.112 0.05 . 1 . . . . 131 Ile HG22 . 25194 1 392 . 1 1 35 35 ILE HG23 H 1 1.112 0.05 . 1 . . . . 131 Ile HG23 . 25194 1 393 . 1 1 35 35 ILE HD11 H 1 0.917 0.05 . 1 . . . . 131 Ile HD11 . 25194 1 394 . 1 1 35 35 ILE HD12 H 1 0.917 0.05 . 1 . . . . 131 Ile HD12 . 25194 1 395 . 1 1 35 35 ILE HD13 H 1 0.917 0.05 . 1 . . . . 131 Ile HD13 . 25194 1 396 . 1 1 35 35 ILE C C 13 174.208 0.20 . 1 . . . . 131 Ile C . 25194 1 397 . 1 1 35 35 ILE CA C 13 57.835 0.20 . 1 . . . . 131 Ile CA . 25194 1 398 . 1 1 35 35 ILE CB C 13 42.292 0.20 . 1 . . . . 131 Ile CB . 25194 1 399 . 1 1 35 35 ILE CG2 C 13 18.316 0.20 . 1 . . . . 131 Ile CG2 . 25194 1 400 . 1 1 35 35 ILE CD1 C 13 13.305 0.20 . 1 . . . . 131 Ile CD1 . 25194 1 401 . 1 1 35 35 ILE N N 15 119.593 0.30 . 1 . . . . 131 Ile N . 25194 1 402 . 1 1 36 36 ASP H H 1 9.795 0.05 . 1 . . . . 132 Asp H . 25194 1 403 . 1 1 36 36 ASP HA H 1 5.694 0.05 . 1 . . . . 132 Asp HA . 25194 1 404 . 1 1 36 36 ASP HB2 H 1 2.794 0.05 . 2 . . . . 132 Asp HB2 . 25194 1 405 . 1 1 36 36 ASP HB3 H 1 3.005 0.05 . 2 . . . . 132 Asp HB3 . 25194 1 406 . 1 1 36 36 ASP C C 13 174.945 0.20 . 1 . . . . 132 Asp C . 25194 1 407 . 1 1 36 36 ASP CA C 13 52.014 0.20 . 1 . . . . 132 Asp CA . 25194 1 408 . 1 1 36 36 ASP CB C 13 40.422 0.20 . 1 . . . . 132 Asp CB . 25194 1 409 . 1 1 36 36 ASP N N 15 127.357 0.30 . 1 . . . . 132 Asp N . 25194 1 410 . 1 1 37 37 TYR H H 1 8.865 0.05 . 1 . . . . 133 Tyr H . 25194 1 411 . 1 1 37 37 TYR HA H 1 4.728 0.05 . 1 . . . . 133 Tyr HA . 25194 1 412 . 1 1 37 37 TYR HB2 H 1 2.847 0.05 . 2 . . . . 133 Tyr HB2 . 25194 1 413 . 1 1 37 37 TYR HB3 H 1 2.680 0.05 . 2 . . . . 133 Tyr HB3 . 25194 1 414 . 1 1 37 37 TYR HD1 H 1 6.212 0.05 . 3 . . . . 133 Tyr HD1 . 25194 1 415 . 1 1 37 37 TYR HD2 H 1 6.212 0.05 . 3 . . . . 133 Tyr HD2 . 25194 1 416 . 1 1 37 37 TYR HE1 H 1 6.030 0.05 . 3 . . . . 133 Tyr HE1 . 25194 1 417 . 1 1 37 37 TYR HE2 H 1 6.030 0.05 . 3 . . . . 133 Tyr HE2 . 25194 1 418 . 1 1 37 37 TYR C C 13 174.874 0.20 . 1 . . . . 133 Tyr C . 25194 1 419 . 1 1 37 37 TYR CA C 13 58.258 0.20 . 1 . . . . 133 Tyr CA . 25194 1 420 . 1 1 37 37 TYR CB C 13 40.769 0.20 . 1 . . . . 133 Tyr CB . 25194 1 421 . 1 1 37 37 TYR CD1 C 13 132.305 0.20 . 3 . . . . 133 Tyr CD1 . 25194 1 422 . 1 1 37 37 TYR CD2 C 13 132.305 0.20 . 3 . . . . 133 Tyr CD2 . 25194 1 423 . 1 1 37 37 TYR CE1 C 13 117.992 0.20 . 3 . . . . 133 Tyr CE1 . 25194 1 424 . 1 1 37 37 TYR CE2 C 13 117.992 0.20 . 3 . . . . 133 Tyr CE2 . 25194 1 425 . 1 1 37 37 TYR N N 15 124.149 0.30 . 1 . . . . 133 Tyr N . 25194 1 426 . 1 1 38 38 MET H H 1 8.859 0.05 . 1 . . . . 134 Met H . 25194 1 427 . 1 1 38 38 MET HA H 1 3.695 0.05 . 1 . . . . 134 Met HA . 25194 1 428 . 1 1 38 38 MET HB2 H 1 1.219 0.05 . 2 . . . . 134 Met HB2 . 25194 1 429 . 1 1 38 38 MET HB3 H 1 1.864 0.05 . 2 . . . . 134 Met HB3 . 25194 1 430 . 1 1 38 38 MET HG2 H 1 1.432 0.05 . 2 . . . . 134 Met HG2 . 25194 1 431 . 1 1 38 38 MET HG3 H 1 1.516 0.05 . 2 . . . . 134 Met HG3 . 25194 1 432 . 1 1 38 38 MET HE1 H 1 1.830 0.05 . 1 . . . . 134 Met HE1 . 25194 1 433 . 1 1 38 38 MET HE2 H 1 1.830 0.05 . 1 . . . . 134 Met HE2 . 25194 1 434 . 1 1 38 38 MET HE3 H 1 1.830 0.05 . 1 . . . . 134 Met HE3 . 25194 1 435 . 1 1 38 38 MET C C 13 175.388 0.20 . 1 . . . . 134 Met C . 25194 1 436 . 1 1 38 38 MET CA C 13 55.797 0.20 . 1 . . . . 134 Met CA . 25194 1 437 . 1 1 38 38 MET CB C 13 30.284 0.20 . 1 . . . . 134 Met CB . 25194 1 438 . 1 1 38 38 MET CG C 13 32.237 0.20 . 1 . . . . 134 Met CG . 25194 1 439 . 1 1 38 38 MET CE C 13 16.553 0.20 . 1 . . . . 134 Met CE . 25194 1 440 . 1 1 38 38 MET N N 15 127.425 0.30 . 1 . . . . 134 Met N . 25194 1 441 . 1 1 39 39 GLY H H 1 8.819 0.05 . 1 . . . . 135 Gly H . 25194 1 442 . 1 1 39 39 GLY HA2 H 1 3.577 0.05 . 2 . . . . 135 Gly HA2 . 25194 1 443 . 1 1 39 39 GLY HA3 H 1 4.087 0.05 . 2 . . . . 135 Gly HA3 . 25194 1 444 . 1 1 39 39 GLY C C 13 173.806 0.20 . 1 . . . . 135 Gly C . 25194 1 445 . 1 1 39 39 GLY CA C 13 45.560 0.20 . 1 . . . . 135 Gly CA . 25194 1 446 . 1 1 39 39 GLY N N 15 105.078 0.30 . 1 . . . . 135 Gly N . 25194 1 447 . 1 1 40 40 ASN H H 1 8.270 0.05 . 1 . . . . 136 Asn H . 25194 1 448 . 1 1 40 40 ASN HA H 1 5.100 0.05 . 1 . . . . 136 Asn HA . 25194 1 449 . 1 1 40 40 ASN HB2 H 1 3.115 0.05 . 2 . . . . 136 Asn HB2 . 25194 1 450 . 1 1 40 40 ASN HB3 H 1 2.376 0.05 . 2 . . . . 136 Asn HB3 . 25194 1 451 . 1 1 40 40 ASN HD21 H 1 7.549 0.05 . 1 . . . . 136 Asn HD21 . 25194 1 452 . 1 1 40 40 ASN HD22 H 1 7.182 0.05 . 1 . . . . 136 Asn HD22 . 25194 1 453 . 1 1 40 40 ASN C C 13 173.349 0.20 . 1 . . . . 136 Asn C . 25194 1 454 . 1 1 40 40 ASN CA C 13 51.308 0.20 . 1 . . . . 136 Asn CA . 25194 1 455 . 1 1 40 40 ASN CB C 13 42.306 0.20 . 1 . . . . 136 Asn CB . 25194 1 456 . 1 1 40 40 ASN N N 15 118.656 0.30 . 1 . . . . 136 Asn N . 25194 1 457 . 1 1 40 40 ASN ND2 N 15 114.915 0.30 . 1 . . . . 136 Asn ND2 . 25194 1 458 . 1 1 41 41 ILE H H 1 8.741 0.05 . 1 . . . . 137 Ile H . 25194 1 459 . 1 1 41 41 ILE HA H 1 4.986 0.05 . 1 . . . . 137 Ile HA . 25194 1 460 . 1 1 41 41 ILE HB H 1 1.638 0.05 . 1 . . . . 137 Ile HB . 25194 1 461 . 1 1 41 41 ILE HG12 H 1 1.222 0.05 . 2 . . . . 137 Ile HG12 . 25194 1 462 . 1 1 41 41 ILE HG13 H 1 1.515 0.05 . 2 . . . . 137 Ile HG13 . 25194 1 463 . 1 1 41 41 ILE HG21 H 1 0.902 0.05 . 1 . . . . 137 Ile HG21 . 25194 1 464 . 1 1 41 41 ILE HG22 H 1 0.902 0.05 . 1 . . . . 137 Ile HG22 . 25194 1 465 . 1 1 41 41 ILE HG23 H 1 0.902 0.05 . 1 . . . . 137 Ile HG23 . 25194 1 466 . 1 1 41 41 ILE HD11 H 1 0.828 0.05 . 1 . . . . 137 Ile HD11 . 25194 1 467 . 1 1 41 41 ILE HD12 H 1 0.828 0.05 . 1 . . . . 137 Ile HD12 . 25194 1 468 . 1 1 41 41 ILE HD13 H 1 0.828 0.05 . 1 . . . . 137 Ile HD13 . 25194 1 469 . 1 1 41 41 ILE C C 13 174.033 0.20 . 1 . . . . 137 Ile C . 25194 1 470 . 1 1 41 41 ILE CA C 13 60.535 0.20 . 1 . . . . 137 Ile CA . 25194 1 471 . 1 1 41 41 ILE CB C 13 39.978 0.20 . 1 . . . . 137 Ile CB . 25194 1 472 . 1 1 41 41 ILE CG1 C 13 27.387 0.20 . 1 . . . . 137 Ile CG1 . 25194 1 473 . 1 1 41 41 ILE CG2 C 13 18.475 0.20 . 1 . . . . 137 Ile CG2 . 25194 1 474 . 1 1 41 41 ILE CD1 C 13 12.858 0.20 . 1 . . . . 137 Ile CD1 . 25194 1 475 . 1 1 41 41 ILE N N 15 122.068 0.30 . 1 . . . . 137 Ile N . 25194 1 476 . 1 1 42 42 TYR H H 1 9.607 0.05 . 1 . . . . 138 Tyr H . 25194 1 477 . 1 1 42 42 TYR HA H 1 4.957 0.05 . 1 . . . . 138 Tyr HA . 25194 1 478 . 1 1 42 42 TYR HB2 H 1 2.884 0.05 . 2 . . . . 138 Tyr HB2 . 25194 1 479 . 1 1 42 42 TYR HB3 H 1 2.067 0.05 . 2 . . . . 138 Tyr HB3 . 25194 1 480 . 1 1 42 42 TYR HD1 H 1 6.391 0.05 . 3 . . . . 138 Tyr HD1 . 25194 1 481 . 1 1 42 42 TYR HD2 H 1 6.391 0.05 . 3 . . . . 138 Tyr HD2 . 25194 1 482 . 1 1 42 42 TYR C C 13 175.501 0.20 . 1 . . . . 138 Tyr C . 25194 1 483 . 1 1 42 42 TYR CA C 13 56.078 0.20 . 1 . . . . 138 Tyr CA . 25194 1 484 . 1 1 42 42 TYR CB C 13 40.734 0.20 . 1 . . . . 138 Tyr CB . 25194 1 485 . 1 1 42 42 TYR CD1 C 13 127.451 0.20 . 3 . . . . 138 Tyr CD1 . 25194 1 486 . 1 1 42 42 TYR CD2 C 13 127.451 0.20 . 3 . . . . 138 Tyr CD2 . 25194 1 487 . 1 1 42 42 TYR N N 15 125.112 0.30 . 1 . . . . 138 Tyr N . 25194 1 488 . 1 1 43 43 SER H H 1 8.956 0.05 . 1 . . . . 139 Ser H . 25194 1 489 . 1 1 43 43 SER HA H 1 4.874 0.05 . 1 . . . . 139 Ser HA . 25194 1 490 . 1 1 43 43 SER HB2 H 1 3.794 0.05 . 2 . . . . 139 Ser HB2 . 25194 1 491 . 1 1 43 43 SER HB3 H 1 3.692 0.05 . 2 . . . . 139 Ser HB3 . 25194 1 492 . 1 1 43 43 SER C C 13 174.784 0.20 . 1 . . . . 139 Ser C . 25194 1 493 . 1 1 43 43 SER CA C 13 56.800 0.20 . 1 . . . . 139 Ser CA . 25194 1 494 . 1 1 43 43 SER CB C 13 64.448 0.20 . 1 . . . . 139 Ser CB . 25194 1 495 . 1 1 43 43 SER N N 15 116.895 0.30 . 1 . . . . 139 Ser N . 25194 1 496 . 1 1 44 44 ILE H H 1 8.964 0.05 . 1 . . . . 140 Ile H . 25194 1 497 . 1 1 44 44 ILE HA H 1 3.844 0.05 . 1 . . . . 140 Ile HA . 25194 1 498 . 1 1 44 44 ILE HB H 1 2.108 0.05 . 1 . . . . 140 Ile HB . 25194 1 499 . 1 1 44 44 ILE HG12 H 1 1.822 0.05 . 1 . . . . 140 Ile HG12 . 25194 1 500 . 1 1 44 44 ILE HG13 H 1 1.822 0.05 . 1 . . . . 140 Ile HG13 . 25194 1 501 . 1 1 44 44 ILE HG21 H 1 0.759 0.05 . 1 . . . . 140 Ile HG21 . 25194 1 502 . 1 1 44 44 ILE HG22 H 1 0.759 0.05 . 1 . . . . 140 Ile HG22 . 25194 1 503 . 1 1 44 44 ILE HG23 H 1 0.759 0.05 . 1 . . . . 140 Ile HG23 . 25194 1 504 . 1 1 44 44 ILE HD11 H 1 1.163 0.05 . 1 . . . . 140 Ile HD11 . 25194 1 505 . 1 1 44 44 ILE HD12 H 1 1.163 0.05 . 1 . . . . 140 Ile HD12 . 25194 1 506 . 1 1 44 44 ILE HD13 H 1 1.163 0.05 . 1 . . . . 140 Ile HD13 . 25194 1 507 . 1 1 44 44 ILE C C 13 175.043 0.20 . 1 . . . . 140 Ile C . 25194 1 508 . 1 1 44 44 ILE CA C 13 63.520 0.20 . 1 . . . . 140 Ile CA . 25194 1 509 . 1 1 44 44 ILE CB C 13 37.591 0.20 . 1 . . . . 140 Ile CB . 25194 1 510 . 1 1 44 44 ILE CG1 C 13 28.324 0.20 . 1 . . . . 140 Ile CG1 . 25194 1 511 . 1 1 44 44 ILE CG2 C 13 18.348 0.20 . 1 . . . . 140 Ile CG2 . 25194 1 512 . 1 1 44 44 ILE CD1 C 13 14.450 0.20 . 1 . . . . 140 Ile CD1 . 25194 1 513 . 1 1 44 44 ILE N N 15 128.456 0.30 . 1 . . . . 140 Ile N . 25194 1 514 . 1 1 45 45 SER H H 1 8.591 0.05 . 1 . . . . 141 Ser H . 25194 1 515 . 1 1 45 45 SER HA H 1 4.786 0.05 . 1 . . . . 141 Ser HA . 25194 1 516 . 1 1 45 45 SER HB2 H 1 4.332 0.05 . 2 . . . . 141 Ser HB2 . 25194 1 517 . 1 1 45 45 SER HB3 H 1 4.189 0.05 . 2 . . . . 141 Ser HB3 . 25194 1 518 . 1 1 45 45 SER C C 13 172.440 0.20 . 1 . . . . 141 Ser C . 25194 1 519 . 1 1 45 45 SER CA C 13 58.409 0.20 . 1 . . . . 141 Ser CA . 25194 1 520 . 1 1 45 45 SER CB C 13 66.527 0.20 . 1 . . . . 141 Ser CB . 25194 1 521 . 1 1 45 45 SER N N 15 126.790 0.30 . 1 . . . . 141 Ser N . 25194 1 522 . 1 1 46 46 ASP H H 1 8.253 0.05 . 1 . . . . 142 Asp H . 25194 1 523 . 1 1 46 46 ASP HA H 1 4.815 0.05 . 1 . . . . 142 Asp HA . 25194 1 524 . 1 1 46 46 ASP HB2 H 1 2.851 0.05 . 2 . . . . 142 Asp HB2 . 25194 1 525 . 1 1 46 46 ASP HB3 H 1 2.719 0.05 . 2 . . . . 142 Asp HB3 . 25194 1 526 . 1 1 46 46 ASP C C 13 177.481 0.20 . 1 . . . . 142 Asp C . 25194 1 527 . 1 1 46 46 ASP CA C 13 53.773 0.20 . 1 . . . . 142 Asp CA . 25194 1 528 . 1 1 46 46 ASP CB C 13 41.195 0.20 . 1 . . . . 142 Asp CB . 25194 1 529 . 1 1 46 46 ASP N N 15 114.620 0.30 . 1 . . . . 142 Asp N . 25194 1 530 . 1 1 47 47 THR H H 1 8.523 0.05 . 1 . . . . 143 Thr H . 25194 1 531 . 1 1 47 47 THR HA H 1 4.131 0.05 . 1 . . . . 143 Thr HA . 25194 1 532 . 1 1 47 47 THR HB H 1 4.126 0.05 . 1 . . . . 143 Thr HB . 25194 1 533 . 1 1 47 47 THR HG21 H 1 1.190 0.05 . 1 . . . . 143 Thr HG21 . 25194 1 534 . 1 1 47 47 THR HG22 H 1 1.190 0.05 . 1 . . . . 143 Thr HG22 . 25194 1 535 . 1 1 47 47 THR HG23 H 1 1.190 0.05 . 1 . . . . 143 Thr HG23 . 25194 1 536 . 1 1 47 47 THR C C 13 173.349 0.20 . 1 . . . . 143 Thr C . 25194 1 537 . 1 1 47 47 THR CA C 13 63.605 0.20 . 1 . . . . 143 Thr CA . 25194 1 538 . 1 1 47 47 THR CB C 13 69.813 0.20 . 1 . . . . 143 Thr CB . 25194 1 539 . 1 1 47 47 THR CG2 C 13 21.770 0.20 . 1 . . . . 143 Thr CG2 . 25194 1 540 . 1 1 47 47 THR N N 15 121.477 0.30 . 1 . . . . 143 Thr N . 25194 1 541 . 1 1 48 48 THR H H 1 8.746 0.05 . 1 . . . . 144 Thr H . 25194 1 542 . 1 1 48 48 THR HA H 1 4.786 0.05 . 1 . . . . 144 Thr HA . 25194 1 543 . 1 1 48 48 THR HB H 1 3.981 0.05 . 1 . . . . 144 Thr HB . 25194 1 544 . 1 1 48 48 THR HG21 H 1 1.269 0.05 . 1 . . . . 144 Thr HG21 . 25194 1 545 . 1 1 48 48 THR HG22 H 1 1.269 0.05 . 1 . . . . 144 Thr HG22 . 25194 1 546 . 1 1 48 48 THR HG23 H 1 1.269 0.05 . 1 . . . . 144 Thr HG23 . 25194 1 547 . 1 1 48 48 THR C C 13 174.463 0.20 . 1 . . . . 144 Thr C . 25194 1 548 . 1 1 48 48 THR CA C 13 63.080 0.20 . 1 . . . . 144 Thr CA . 25194 1 549 . 1 1 48 48 THR CB C 13 70.216 0.20 . 1 . . . . 144 Thr CB . 25194 1 550 . 1 1 48 48 THR CG2 C 13 22.203 0.20 . 1 . . . . 144 Thr CG2 . 25194 1 551 . 1 1 48 48 THR N N 15 126.069 0.30 . 1 . . . . 144 Thr N . 25194 1 552 . 1 1 49 49 VAL H H 1 8.408 0.05 . 1 . . . . 145 Val H . 25194 1 553 . 1 1 49 49 VAL HA H 1 3.906 0.05 . 1 . . . . 145 Val HA . 25194 1 554 . 1 1 49 49 VAL HB H 1 1.592 0.05 . 1 . . . . 145 Val HB . 25194 1 555 . 1 1 49 49 VAL HG11 H 1 0.753 0.05 . 2 . . . . 145 Val HG11 . 25194 1 556 . 1 1 49 49 VAL HG12 H 1 0.753 0.05 . 2 . . . . 145 Val HG12 . 25194 1 557 . 1 1 49 49 VAL HG13 H 1 0.753 0.05 . 2 . . . . 145 Val HG13 . 25194 1 558 . 1 1 49 49 VAL HG21 H 1 0.809 0.05 . 2 . . . . 145 Val HG21 . 25194 1 559 . 1 1 49 49 VAL HG22 H 1 0.809 0.05 . 2 . . . . 145 Val HG22 . 25194 1 560 . 1 1 49 49 VAL HG23 H 1 0.809 0.05 . 2 . . . . 145 Val HG23 . 25194 1 561 . 1 1 49 49 VAL C C 13 174.530 0.20 . 1 . . . . 145 Val C . 25194 1 562 . 1 1 49 49 VAL CA C 13 61.757 0.20 . 1 . . . . 145 Val CA . 25194 1 563 . 1 1 49 49 VAL CB C 13 32.703 0.20 . 1 . . . . 145 Val CB . 25194 1 564 . 1 1 49 49 VAL CG1 C 13 20.938 0.20 . 1 . . . . 145 Val CG1 . 25194 1 565 . 1 1 49 49 VAL CG2 C 13 21.707 0.20 . 1 . . . . 145 Val CG2 . 25194 1 566 . 1 1 49 49 VAL N N 15 129.944 0.30 . 1 . . . . 145 Val N . 25194 1 567 . 1 1 50 50 SER H H 1 8.652 0.05 . 1 . . . . 146 Ser H . 25194 1 568 . 1 1 50 50 SER HA H 1 4.364 0.05 . 1 . . . . 146 Ser HA . 25194 1 569 . 1 1 50 50 SER HB2 H 1 4.140 0.05 . 2 . . . . 146 Ser HB2 . 25194 1 570 . 1 1 50 50 SER HB3 H 1 3.943 0.05 . 2 . . . . 146 Ser HB3 . 25194 1 571 . 1 1 50 50 SER C C 13 175.122 0.20 . 1 . . . . 146 Ser C . 25194 1 572 . 1 1 50 50 SER CA C 13 58.247 0.20 . 1 . . . . 146 Ser CA . 25194 1 573 . 1 1 50 50 SER CB C 13 64.651 0.20 . 1 . . . . 146 Ser CB . 25194 1 574 . 1 1 50 50 SER N N 15 123.783 0.30 . 1 . . . . 146 Ser N . 25194 1 575 . 1 1 51 51 ASP H H 1 8.737 0.05 . 1 . . . . 147 Asp H . 25194 1 576 . 1 1 51 51 ASP HA H 1 4.163 0.05 . 1 . . . . 147 Asp HA . 25194 1 577 . 1 1 51 51 ASP HB2 H 1 2.624 0.05 . 1 . . . . 147 Asp HB2 . 25194 1 578 . 1 1 51 51 ASP HB3 H 1 2.624 0.05 . 1 . . . . 147 Asp HB3 . 25194 1 579 . 1 1 51 51 ASP C C 13 178.664 0.20 . 1 . . . . 147 Asp C . 25194 1 580 . 1 1 51 51 ASP CA C 13 57.603 0.20 . 1 . . . . 147 Asp CA . 25194 1 581 . 1 1 51 51 ASP CB C 13 40.336 0.20 . 1 . . . . 147 Asp CB . 25194 1 582 . 1 1 51 51 ASP N N 15 121.758 0.30 . 1 . . . . 147 Asp N . 25194 1 583 . 1 1 52 52 GLU H H 1 8.505 0.05 . 1 . . . . 148 Glu H . 25194 1 584 . 1 1 52 52 GLU HA H 1 4.099 0.05 . 1 . . . . 148 Glu HA . 25194 1 585 . 1 1 52 52 GLU HB2 H 1 1.997 0.05 . 1 . . . . 148 Glu HB2 . 25194 1 586 . 1 1 52 52 GLU HB3 H 1 1.997 0.05 . 1 . . . . 148 Glu HB3 . 25194 1 587 . 1 1 52 52 GLU HG2 H 1 2.285 0.05 . 1 . . . . 148 Glu HG2 . 25194 1 588 . 1 1 52 52 GLU HG3 H 1 2.285 0.05 . 1 . . . . 148 Glu HG3 . 25194 1 589 . 1 1 52 52 GLU C C 13 177.213 0.20 . 1 . . . . 148 Glu C . 25194 1 590 . 1 1 52 52 GLU CA C 13 58.463 0.20 . 1 . . . . 148 Glu CA . 25194 1 591 . 1 1 52 52 GLU CB C 13 29.379 0.20 . 1 . . . . 148 Glu CB . 25194 1 592 . 1 1 52 52 GLU CG C 13 36.378 0.20 . 1 . . . . 148 Glu CG . 25194 1 593 . 1 1 52 52 GLU N N 15 116.579 0.30 . 1 . . . . 148 Glu N . 25194 1 594 . 1 1 53 53 GLU H H 1 7.552 0.05 . 1 . . . . 149 Glu H . 25194 1 595 . 1 1 53 53 GLU HA H 1 4.204 0.05 . 1 . . . . 149 Glu HA . 25194 1 596 . 1 1 53 53 GLU HB2 H 1 2.090 0.05 . 1 . . . . 149 Glu HB2 . 25194 1 597 . 1 1 53 53 GLU HB3 H 1 2.090 0.05 . 1 . . . . 149 Glu HB3 . 25194 1 598 . 1 1 53 53 GLU HG2 H 1 2.154 0.05 . 1 . . . . 149 Glu HG2 . 25194 1 599 . 1 1 53 53 GLU HG3 H 1 2.154 0.05 . 1 . . . . 149 Glu HG3 . 25194 1 600 . 1 1 53 53 GLU C C 13 175.737 0.20 . 1 . . . . 149 Glu C . 25194 1 601 . 1 1 53 53 GLU CA C 13 56.073 0.20 . 1 . . . . 149 Glu CA . 25194 1 602 . 1 1 53 53 GLU CB C 13 31.584 0.20 . 1 . . . . 149 Glu CB . 25194 1 603 . 1 1 53 53 GLU CG C 13 37.322 0.20 . 1 . . . . 149 Glu CG . 25194 1 604 . 1 1 53 53 GLU N N 15 117.465 0.30 . 1 . . . . 149 Glu N . 25194 1 605 . 1 1 54 54 LEU H H 1 7.153 0.05 . 1 . . . . 150 Leu H . 25194 1 606 . 1 1 54 54 LEU HA H 1 3.778 0.05 . 1 . . . . 150 Leu HA . 25194 1 607 . 1 1 54 54 LEU HB2 H 1 1.356 0.05 . 2 . . . . 150 Leu HB2 . 25194 1 608 . 1 1 54 54 LEU HB3 H 1 1.405 0.05 . 2 . . . . 150 Leu HB3 . 25194 1 609 . 1 1 54 54 LEU HG H 1 1.339 0.05 . 1 . . . . 150 Leu HG . 25194 1 610 . 1 1 54 54 LEU HD11 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD11 . 25194 1 611 . 1 1 54 54 LEU HD12 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD12 . 25194 1 612 . 1 1 54 54 LEU HD13 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD13 . 25194 1 613 . 1 1 54 54 LEU HD21 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD21 . 25194 1 614 . 1 1 54 54 LEU HD22 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD22 . 25194 1 615 . 1 1 54 54 LEU HD23 H 1 -0.093 0.05 . 1 . . . . 150 Leu HD23 . 25194 1 616 . 1 1 54 54 LEU C C 13 176.850 0.20 . 1 . . . . 150 Leu C . 25194 1 617 . 1 1 54 54 LEU CA C 13 56.451 0.20 . 1 . . . . 150 Leu CA . 25194 1 618 . 1 1 54 54 LEU CB C 13 42.485 0.20 . 1 . . . . 150 Leu CB . 25194 1 619 . 1 1 54 54 LEU CG C 13 25.423 0.20 . 1 . . . . 150 Leu CG . 25194 1 620 . 1 1 54 54 LEU CD1 C 13 24.129 0.20 . 1 . . . . 150 Leu CD1 . 25194 1 621 . 1 1 54 54 LEU CD2 C 13 24.129 0.20 . 1 . . . . 150 Leu CD2 . 25194 1 622 . 1 1 54 54 LEU N N 15 121.402 0.30 . 1 . . . . 150 Leu N . 25194 1 623 . 1 1 55 55 GLY H H 1 8.734 0.05 . 1 . . . . 151 Gly H . 25194 1 624 . 1 1 55 55 GLY HA2 H 1 4.295 0.05 . 2 . . . . 151 Gly HA2 . 25194 1 625 . 1 1 55 55 GLY HA3 H 1 3.342 0.05 . 2 . . . . 151 Gly HA3 . 25194 1 626 . 1 1 55 55 GLY C C 13 174.100 0.20 . 1 . . . . 151 Gly C . 25194 1 627 . 1 1 55 55 GLY CA C 13 43.972 0.20 . 1 . . . . 151 Gly CA . 25194 1 628 . 1 1 55 55 GLY N N 15 114.573 0.30 . 1 . . . . 151 Gly N . 25194 1 629 . 1 1 56 56 GLU H H 1 8.446 0.05 . 1 . . . . 152 Glu H . 25194 1 630 . 1 1 56 56 GLU HA H 1 4.356 0.05 . 1 . . . . 152 Glu HA . 25194 1 631 . 1 1 56 56 GLU HB2 H 1 1.877 0.05 . 2 . . . . 152 Glu HB2 . 25194 1 632 . 1 1 56 56 GLU HB3 H 1 2.022 0.05 . 2 . . . . 152 Glu HB3 . 25194 1 633 . 1 1 56 56 GLU HG2 H 1 2.300 0.05 . 1 . . . . 152 Glu HG2 . 25194 1 634 . 1 1 56 56 GLU HG3 H 1 2.300 0.05 . 1 . . . . 152 Glu HG3 . 25194 1 635 . 1 1 56 56 GLU C C 13 176.652 0.20 . 1 . . . . 152 Glu C . 25194 1 636 . 1 1 56 56 GLU CA C 13 56.218 0.20 . 1 . . . . 152 Glu CA . 25194 1 637 . 1 1 56 56 GLU CB C 13 31.552 0.20 . 1 . . . . 152 Glu CB . 25194 1 638 . 1 1 56 56 GLU CG C 13 36.278 0.20 . 1 . . . . 152 Glu CG . 25194 1 639 . 1 1 56 56 GLU N N 15 123.263 0.30 . 1 . . . . 152 Glu N . 25194 1 640 . 1 1 57 57 TYR H H 1 8.765 0.05 . 1 . . . . 153 Tyr H . 25194 1 641 . 1 1 57 57 TYR HA H 1 2.740 0.05 . 1 . . . . 153 Tyr HA . 25194 1 642 . 1 1 57 57 TYR HB2 H 1 2.693 0.05 . 1 . . . . 153 Tyr HB2 . 25194 1 643 . 1 1 57 57 TYR HB3 H 1 2.693 0.05 . 1 . . . . 153 Tyr HB3 . 25194 1 644 . 1 1 57 57 TYR HD1 H 1 6.727 0.05 . 3 . . . . 153 Tyr HD1 . 25194 1 645 . 1 1 57 57 TYR HD2 H 1 6.727 0.05 . 3 . . . . 153 Tyr HD2 . 25194 1 646 . 1 1 57 57 TYR HE1 H 1 6.578 0.05 . 3 . . . . 153 Tyr HE1 . 25194 1 647 . 1 1 57 57 TYR HE2 H 1 6.578 0.05 . 3 . . . . 153 Tyr HE2 . 25194 1 648 . 1 1 57 57 TYR C C 13 174.087 0.20 . 1 . . . . 153 Tyr C . 25194 1 649 . 1 1 57 57 TYR CA C 13 59.757 0.20 . 1 . . . . 153 Tyr CA . 25194 1 650 . 1 1 57 57 TYR CB C 13 39.116 0.20 . 1 . . . . 153 Tyr CB . 25194 1 651 . 1 1 57 57 TYR CD1 C 13 132.627 0.20 . 3 . . . . 153 Tyr CD1 . 25194 1 652 . 1 1 57 57 TYR CD2 C 13 132.627 0.20 . 3 . . . . 153 Tyr CD2 . 25194 1 653 . 1 1 57 57 TYR CE1 C 13 118.209 0.20 . 3 . . . . 153 Tyr CE1 . 25194 1 654 . 1 1 57 57 TYR CE2 C 13 118.209 0.20 . 3 . . . . 153 Tyr CE2 . 25194 1 655 . 1 1 57 57 TYR N N 15 125.591 0.30 . 1 . . . . 153 Tyr N . 25194 1 656 . 1 1 58 58 GLN H H 1 8.354 0.05 . 1 . . . . 154 Gln H . 25194 1 657 . 1 1 58 58 GLN HA H 1 4.285 0.05 . 1 . . . . 154 Gln HA . 25194 1 658 . 1 1 58 58 GLN HB2 H 1 1.908 0.05 . 1 . . . . 154 Gln HB2 . 25194 1 659 . 1 1 58 58 GLN HB3 H 1 1.908 0.05 . 1 . . . . 154 Gln HB3 . 25194 1 660 . 1 1 58 58 GLN C C 13 174.234 0.20 . 1 . . . . 154 Gln C . 25194 1 661 . 1 1 58 58 GLN CA C 13 55.217 0.20 . 1 . . . . 154 Gln CA . 25194 1 662 . 1 1 58 58 GLN CB C 13 32.706 0.20 . 1 . . . . 154 Gln CB . 25194 1 663 . 1 1 58 58 GLN N N 15 123.265 0.30 . 1 . . . . 154 Gln N . 25194 1 664 . 1 1 59 59 ASP H H 1 7.074 0.05 . 1 . . . . 155 Asp H . 25194 1 665 . 1 1 59 59 ASP HA H 1 4.362 0.05 . 1 . . . . 155 Asp HA . 25194 1 666 . 1 1 59 59 ASP HB2 H 1 2.042 0.05 . 2 . . . . 155 Asp HB2 . 25194 1 667 . 1 1 59 59 ASP HB3 H 1 2.603 0.05 . 2 . . . . 155 Asp HB3 . 25194 1 668 . 1 1 59 59 ASP C C 13 172.719 0.20 . 1 . . . . 155 Asp C . 25194 1 669 . 1 1 59 59 ASP CA C 13 52.763 0.20 . 1 . . . . 155 Asp CA . 25194 1 670 . 1 1 59 59 ASP CB C 13 44.028 0.20 . 1 . . . . 155 Asp CB . 25194 1 671 . 1 1 59 59 ASP N N 15 115.366 0.30 . 1 . . . . 155 Asp N . 25194 1 672 . 1 1 60 60 VAL H H 1 9.657 0.05 . 1 . . . . 156 Val H . 25194 1 673 . 1 1 60 60 VAL HA H 1 4.686 0.05 . 1 . . . . 156 Val HA . 25194 1 674 . 1 1 60 60 VAL HB H 1 2.356 0.05 . 1 . . . . 156 Val HB . 25194 1 675 . 1 1 60 60 VAL HG11 H 1 1.047 0.05 . 1 . . . . 156 Val HG11 . 25194 1 676 . 1 1 60 60 VAL HG12 H 1 1.047 0.05 . 1 . . . . 156 Val HG12 . 25194 1 677 . 1 1 60 60 VAL HG13 H 1 1.047 0.05 . 1 . . . . 156 Val HG13 . 25194 1 678 . 1 1 60 60 VAL HG21 H 1 1.047 0.05 . 1 . . . . 156 Val HG21 . 25194 1 679 . 1 1 60 60 VAL HG22 H 1 1.047 0.05 . 1 . . . . 156 Val HG22 . 25194 1 680 . 1 1 60 60 VAL HG23 H 1 1.047 0.05 . 1 . . . . 156 Val HG23 . 25194 1 681 . 1 1 60 60 VAL C C 13 173.262 0.20 . 1 . . . . 156 Val C . 25194 1 682 . 1 1 60 60 VAL CA C 13 59.981 0.20 . 1 . . . . 156 Val CA . 25194 1 683 . 1 1 60 60 VAL CB C 13 34.771 0.20 . 1 . . . . 156 Val CB . 25194 1 684 . 1 1 60 60 VAL CG1 C 13 21.977 0.20 . 1 . . . . 156 Val CG1 . 25194 1 685 . 1 1 60 60 VAL CG2 C 13 19.261 0.20 . 1 . . . . 156 Val CG2 . 25194 1 686 . 1 1 60 60 VAL N N 15 117.417 0.30 . 1 . . . . 156 Val N . 25194 1 687 . 1 1 61 61 LEU H H 1 8.445 0.05 . 1 . . . . 157 Leu H . 25194 1 688 . 1 1 61 61 LEU HA H 1 4.406 0.05 . 1 . . . . 157 Leu HA . 25194 1 689 . 1 1 61 61 LEU HB2 H 1 1.873 0.05 . 2 . . . . 157 Leu HB2 . 25194 1 690 . 1 1 61 61 LEU HB3 H 1 1.175 0.05 . 2 . . . . 157 Leu HB3 . 25194 1 691 . 1 1 61 61 LEU HG H 1 1.172 0.05 . 1 . . . . 157 Leu HG . 25194 1 692 . 1 1 61 61 LEU HD11 H 1 0.777 0.05 . 2 . . . . 157 Leu HD11 . 25194 1 693 . 1 1 61 61 LEU HD12 H 1 0.777 0.05 . 2 . . . . 157 Leu HD12 . 25194 1 694 . 1 1 61 61 LEU HD13 H 1 0.777 0.05 . 2 . . . . 157 Leu HD13 . 25194 1 695 . 1 1 61 61 LEU HD21 H 1 0.814 0.05 . 2 . . . . 157 Leu HD21 . 25194 1 696 . 1 1 61 61 LEU HD22 H 1 0.814 0.05 . 2 . . . . 157 Leu HD22 . 25194 1 697 . 1 1 61 61 LEU HD23 H 1 0.814 0.05 . 2 . . . . 157 Leu HD23 . 25194 1 698 . 1 1 61 61 LEU C C 13 176.448 0.20 . 1 . . . . 157 Leu C . 25194 1 699 . 1 1 61 61 LEU CA C 13 56.269 0.20 . 1 . . . . 157 Leu CA . 25194 1 700 . 1 1 61 61 LEU CB C 13 42.117 0.20 . 1 . . . . 157 Leu CB . 25194 1 701 . 1 1 61 61 LEU CG C 13 27.130 0.20 . 1 . . . . 157 Leu CG . 25194 1 702 . 1 1 61 61 LEU CD1 C 13 23.193 0.20 . 1 . . . . 157 Leu CD1 . 25194 1 703 . 1 1 61 61 LEU CD2 C 13 26.928 0.20 . 1 . . . . 157 Leu CD2 . 25194 1 704 . 1 1 61 61 LEU N N 15 127.623 0.30 . 1 . . . . 157 Leu N . 25194 1 705 . 1 1 62 62 ALA H H 1 7.714 0.05 . 1 . . . . 158 Ala H . 25194 1 706 . 1 1 62 62 ALA HA H 1 4.357 0.05 . 1 . . . . 158 Ala HA . 25194 1 707 . 1 1 62 62 ALA HB1 H 1 1.411 0.05 . 1 . . . . 158 Ala HB1 . 25194 1 708 . 1 1 62 62 ALA HB2 H 1 1.411 0.05 . 1 . . . . 158 Ala HB2 . 25194 1 709 . 1 1 62 62 ALA HB3 H 1 1.411 0.05 . 1 . . . . 158 Ala HB3 . 25194 1 710 . 1 1 62 62 ALA C C 13 176.206 0.20 . 1 . . . . 158 Ala C . 25194 1 711 . 1 1 62 62 ALA CA C 13 52.649 0.20 . 1 . . . . 158 Ala CA . 25194 1 712 . 1 1 62 62 ALA CB C 13 16.651 0.20 . 1 . . . . 158 Ala CB . 25194 1 713 . 1 1 62 62 ALA N N 15 120.945 0.30 . 1 . . . . 158 Ala N . 25194 1 714 . 1 1 63 63 GLU H H 1 7.705 0.05 . 1 . . . . 159 Glu H . 25194 1 715 . 1 1 63 63 GLU HA H 1 4.951 0.05 . 1 . . . . 159 Glu HA . 25194 1 716 . 1 1 63 63 GLU HB2 H 1 1.575 0.05 . 2 . . . . 159 Glu HB2 . 25194 1 717 . 1 1 63 63 GLU HB3 H 1 1.961 0.05 . 2 . . . . 159 Glu HB3 . 25194 1 718 . 1 1 63 63 GLU HG2 H 1 2.204 0.05 . 1 . . . . 159 Glu HG2 . 25194 1 719 . 1 1 63 63 GLU HG3 H 1 2.204 0.05 . 1 . . . . 159 Glu HG3 . 25194 1 720 . 1 1 63 63 GLU C C 13 174.369 0.20 . 1 . . . . 159 Glu C . 25194 1 721 . 1 1 63 63 GLU CA C 13 54.672 0.20 . 1 . . . . 159 Glu CA . 25194 1 722 . 1 1 63 63 GLU CB C 13 35.717 0.20 . 1 . . . . 159 Glu CB . 25194 1 723 . 1 1 63 63 GLU CG C 13 36.427 0.20 . 1 . . . . 159 Glu CG . 25194 1 724 . 1 1 63 63 GLU N N 15 116.259 0.30 . 1 . . . . 159 Glu N . 25194 1 725 . 1 1 64 64 VAL H H 1 8.592 0.05 . 1 . . . . 160 Val H . 25194 1 726 . 1 1 64 64 VAL HA H 1 5.656 0.05 . 1 . . . . 160 Val HA . 25194 1 727 . 1 1 64 64 VAL HB H 1 2.105 0.05 . 1 . . . . 160 Val HB . 25194 1 728 . 1 1 64 64 VAL HG11 H 1 0.937 0.05 . 2 . . . . 160 Val HG11 . 25194 1 729 . 1 1 64 64 VAL HG12 H 1 0.937 0.05 . 2 . . . . 160 Val HG12 . 25194 1 730 . 1 1 64 64 VAL HG13 H 1 0.937 0.05 . 2 . . . . 160 Val HG13 . 25194 1 731 . 1 1 64 64 VAL HG21 H 1 1.066 0.05 . 2 . . . . 160 Val HG21 . 25194 1 732 . 1 1 64 64 VAL HG22 H 1 1.066 0.05 . 2 . . . . 160 Val HG22 . 25194 1 733 . 1 1 64 64 VAL HG23 H 1 1.066 0.05 . 2 . . . . 160 Val HG23 . 25194 1 734 . 1 1 64 64 VAL C C 13 177.414 0.20 . 1 . . . . 160 Val C . 25194 1 735 . 1 1 64 64 VAL CA C 13 60.790 0.20 . 1 . . . . 160 Val CA . 25194 1 736 . 1 1 64 64 VAL CB C 13 35.407 0.20 . 1 . . . . 160 Val CB . 25194 1 737 . 1 1 64 64 VAL CG1 C 13 21.059 0.20 . 1 . . . . 160 Val CG1 . 25194 1 738 . 1 1 64 64 VAL CG2 C 13 21.606 0.20 . 1 . . . . 160 Val CG2 . 25194 1 739 . 1 1 64 64 VAL N N 15 121.307 0.30 . 1 . . . . 160 Val N . 25194 1 740 . 1 1 65 65 ARG H H 1 9.349 0.05 . 1 . . . . 161 Arg H . 25194 1 741 . 1 1 65 65 ARG HA H 1 5.022 0.05 . 1 . . . . 161 Arg HA . 25194 1 742 . 1 1 65 65 ARG HB2 H 1 2.608 0.05 . 2 . . . . 161 Arg HB2 . 25194 1 743 . 1 1 65 65 ARG HB3 H 1 1.944 0.05 . 2 . . . . 161 Arg HB3 . 25194 1 744 . 1 1 65 65 ARG C C 13 174.033 0.20 . 1 . . . . 161 Arg C . 25194 1 745 . 1 1 65 65 ARG CA C 13 54.493 0.20 . 1 . . . . 161 Arg CA . 25194 1 746 . 1 1 65 65 ARG CB C 13 34.814 0.20 . 1 . . . . 161 Arg CB . 25194 1 747 . 1 1 65 65 ARG N N 15 123.721 0.30 . 1 . . . . 161 Arg N . 25194 1 748 . 1 1 66 66 VAL H H 1 8.136 0.05 . 1 . . . . 162 Val H . 25194 1 749 . 1 1 66 66 VAL HA H 1 4.737 0.05 . 1 . . . . 162 Val HA . 25194 1 750 . 1 1 66 66 VAL HB H 1 1.352 0.05 . 1 . . . . 162 Val HB . 25194 1 751 . 1 1 66 66 VAL HG11 H 1 0.422 0.05 . 2 . . . . 162 Val HG11 . 25194 1 752 . 1 1 66 66 VAL HG12 H 1 0.422 0.05 . 2 . . . . 162 Val HG12 . 25194 1 753 . 1 1 66 66 VAL HG13 H 1 0.422 0.05 . 2 . . . . 162 Val HG13 . 25194 1 754 . 1 1 66 66 VAL HG21 H 1 -0.014 0.05 . 2 . . . . 162 Val HG21 . 25194 1 755 . 1 1 66 66 VAL HG22 H 1 -0.014 0.05 . 2 . . . . 162 Val HG22 . 25194 1 756 . 1 1 66 66 VAL HG23 H 1 -0.014 0.05 . 2 . . . . 162 Val HG23 . 25194 1 757 . 1 1 66 66 VAL C C 13 175.187 0.20 . 1 . . . . 162 Val C . 25194 1 758 . 1 1 66 66 VAL CA C 13 61.031 0.20 . 1 . . . . 162 Val CA . 25194 1 759 . 1 1 66 66 VAL CB C 13 32.695 0.20 . 1 . . . . 162 Val CB . 25194 1 760 . 1 1 66 66 VAL CG1 C 13 21.228 0.20 . 1 . . . . 162 Val CG1 . 25194 1 761 . 1 1 66 66 VAL CG2 C 13 20.320 0.20 . 1 . . . . 162 Val CG2 . 25194 1 762 . 1 1 66 66 VAL N N 15 122.098 0.30 . 1 . . . . 162 Val N . 25194 1 763 . 1 1 67 67 PHE H H 1 8.786 0.05 . 1 . . . . 163 Phe H . 25194 1 764 . 1 1 67 67 PHE HA H 1 5.348 0.05 . 1 . . . . 163 Phe HA . 25194 1 765 . 1 1 67 67 PHE HB2 H 1 2.478 0.05 . 1 . . . . 163 Phe HB2 . 25194 1 766 . 1 1 67 67 PHE HB3 H 1 2.479 0.05 . 1 . . . . 163 Phe HB3 . 25194 1 767 . 1 1 67 67 PHE HD1 H 1 6.641 0.05 . 3 . . . . 163 Phe HD1 . 25194 1 768 . 1 1 67 67 PHE HD2 H 1 6.641 0.05 . 3 . . . . 163 Phe HD2 . 25194 1 769 . 1 1 67 67 PHE HE1 H 1 6.399 0.05 . 3 . . . . 163 Phe HE1 . 25194 1 770 . 1 1 67 67 PHE HE2 H 1 6.399 0.05 . 3 . . . . 163 Phe HE2 . 25194 1 771 . 1 1 67 67 PHE C C 13 173.378 0.20 . 1 . . . . 163 Phe C . 25194 1 772 . 1 1 67 67 PHE CA C 13 54.425 0.20 . 1 . . . . 163 Phe CA . 25194 1 773 . 1 1 67 67 PHE CB C 13 42.579 0.20 . 1 . . . . 163 Phe CB . 25194 1 774 . 1 1 67 67 PHE CD1 C 13 132.484 0.20 . 3 . . . . 163 Phe CD1 . 25194 1 775 . 1 1 67 67 PHE CD2 C 13 132.484 0.20 . 3 . . . . 163 Phe CD2 . 25194 1 776 . 1 1 67 67 PHE CE1 C 13 130.028 0.20 . 3 . . . . 163 Phe CE1 . 25194 1 777 . 1 1 67 67 PHE CE2 C 13 130.028 0.20 . 3 . . . . 163 Phe CE2 . 25194 1 778 . 1 1 67 67 PHE N N 15 122.062 0.30 . 1 . . . . 163 Phe N . 25194 1 779 . 1 1 68 68 ASP H H 1 8.487 0.05 . 1 . . . . 164 Asp H . 25194 1 780 . 1 1 68 68 ASP HA H 1 4.648 0.05 . 1 . . . . 164 Asp HA . 25194 1 781 . 1 1 68 68 ASP HB2 H 1 2.659 0.05 . 1 . . . . 164 Asp HB2 . 25194 1 782 . 1 1 68 68 ASP HB3 H 1 2.659 0.05 . 1 . . . . 164 Asp HB3 . 25194 1 783 . 1 1 68 68 ASP C C 13 177.575 0.20 . 1 . . . . 164 Asp C . 25194 1 784 . 1 1 68 68 ASP CA C 13 54.439 0.20 . 1 . . . . 164 Asp CA . 25194 1 785 . 1 1 68 68 ASP CB C 13 42.934 0.20 . 1 . . . . 164 Asp CB . 25194 1 786 . 1 1 68 68 ASP N N 15 120.338 0.30 . 1 . . . . 164 Asp N . 25194 1 787 . 1 1 69 69 SER H H 1 8.571 0.05 . 1 . . . . 165 Ser H . 25194 1 788 . 1 1 69 69 SER HA H 1 3.887 0.05 . 1 . . . . 165 Ser HA . 25194 1 789 . 1 1 69 69 SER HB2 H 1 3.749 0.05 . 2 . . . . 165 Ser HB2 . 25194 1 790 . 1 1 69 69 SER HB3 H 1 3.641 0.05 . 2 . . . . 165 Ser HB3 . 25194 1 791 . 1 1 69 69 SER C C 13 174.758 0.20 . 1 . . . . 165 Ser C . 25194 1 792 . 1 1 69 69 SER CA C 13 61.406 0.20 . 1 . . . . 165 Ser CA . 25194 1 793 . 1 1 69 69 SER CB C 13 63.364 0.20 . 1 . . . . 165 Ser CB . 25194 1 794 . 1 1 69 69 SER N N 15 123.686 0.30 . 1 . . . . 165 Ser N . 25194 1 795 . 1 1 70 70 VAL H H 1 8.345 0.05 . 1 . . . . 166 Val H . 25194 1 796 . 1 1 70 70 VAL HA H 1 3.945 0.05 . 1 . . . . 166 Val HA . 25194 1 797 . 1 1 70 70 VAL HB H 1 2.196 0.05 . 1 . . . . 166 Val HB . 25194 1 798 . 1 1 70 70 VAL HG11 H 1 0.985 0.05 . 2 . . . . 166 Val HG11 . 25194 1 799 . 1 1 70 70 VAL HG12 H 1 0.985 0.05 . 2 . . . . 166 Val HG12 . 25194 1 800 . 1 1 70 70 VAL HG13 H 1 0.985 0.05 . 2 . . . . 166 Val HG13 . 25194 1 801 . 1 1 70 70 VAL HG21 H 1 0.926 0.05 . 2 . . . . 166 Val HG21 . 25194 1 802 . 1 1 70 70 VAL HG22 H 1 0.926 0.05 . 2 . . . . 166 Val HG22 . 25194 1 803 . 1 1 70 70 VAL HG23 H 1 0.926 0.05 . 2 . . . . 166 Val HG23 . 25194 1 804 . 1 1 70 70 VAL C C 13 177.400 0.20 . 1 . . . . 166 Val C . 25194 1 805 . 1 1 70 70 VAL CA C 13 64.701 0.20 . 1 . . . . 166 Val CA . 25194 1 806 . 1 1 70 70 VAL CB C 13 32.106 0.20 . 1 . . . . 166 Val CB . 25194 1 807 . 1 1 70 70 VAL CG1 C 13 22.004 0.20 . 1 . . . . 166 Val CG1 . 25194 1 808 . 1 1 70 70 VAL CG2 C 13 20.793 0.20 . 1 . . . . 166 Val CG2 . 25194 1 809 . 1 1 70 70 VAL N N 15 119.555 0.30 . 1 . . . . 166 Val N . 25194 1 810 . 1 1 71 71 SER H H 1 8.287 0.05 . 1 . . . . 167 Ser H . 25194 1 811 . 1 1 71 71 SER HA H 1 4.501 0.05 . 1 . . . . 167 Ser HA . 25194 1 812 . 1 1 71 71 SER HB2 H 1 4.054 0.05 . 2 . . . . 167 Ser HB2 . 25194 1 813 . 1 1 71 71 SER HB3 H 1 3.871 0.05 . 2 . . . . 167 Ser HB3 . 25194 1 814 . 1 1 71 71 SER C C 13 176.166 0.20 . 1 . . . . 167 Ser C . 25194 1 815 . 1 1 71 71 SER CA C 13 58.787 0.20 . 1 . . . . 167 Ser CA . 25194 1 816 . 1 1 71 71 SER CB C 13 65.727 0.20 . 1 . . . . 167 Ser CB . 25194 1 817 . 1 1 71 71 SER N N 15 113.814 0.30 . 1 . . . . 167 Ser N . 25194 1 818 . 1 1 72 72 GLY H H 1 8.688 0.05 . 1 . . . . 168 Gly H . 25194 1 819 . 1 1 72 72 GLY HA2 H 1 4.483 0.05 . 2 . . . . 168 Gly HA2 . 25194 1 820 . 1 1 72 72 GLY HA3 H 1 3.444 0.05 . 2 . . . . 168 Gly HA3 . 25194 1 821 . 1 1 72 72 GLY C C 13 174.395 0.20 . 1 . . . . 168 Gly C . 25194 1 822 . 1 1 72 72 GLY CA C 13 45.469 0.20 . 1 . . . . 168 Gly CA . 25194 1 823 . 1 1 72 72 GLY N N 15 111.056 0.30 . 1 . . . . 168 Gly N . 25194 1 824 . 1 1 73 73 LYS H H 1 8.147 0.05 . 1 . . . . 169 Lys H . 25194 1 825 . 1 1 73 73 LYS HA H 1 4.319 0.05 . 1 . . . . 169 Lys HA . 25194 1 826 . 1 1 73 73 LYS HB2 H 1 1.845 0.05 . 1 . . . . 169 Lys HB2 . 25194 1 827 . 1 1 73 73 LYS HB3 H 1 1.845 0.05 . 1 . . . . 169 Lys HB3 . 25194 1 828 . 1 1 73 73 LYS HG2 H 1 1.554 0.05 . 1 . . . . 169 Lys HG2 . 25194 1 829 . 1 1 73 73 LYS HG3 H 1 1.554 0.05 . 1 . . . . 169 Lys HG3 . 25194 1 830 . 1 1 73 73 LYS HE2 H 1 3.082 0.05 . 1 . . . . 169 Lys HE2 . 25194 1 831 . 1 1 73 73 LYS HE3 H 1 3.082 0.05 . 1 . . . . 169 Lys HE3 . 25194 1 832 . 1 1 73 73 LYS C C 13 176.998 0.20 . 1 . . . . 169 Lys C . 25194 1 833 . 1 1 73 73 LYS CA C 13 57.173 0.20 . 1 . . . . 169 Lys CA . 25194 1 834 . 1 1 73 73 LYS CB C 13 33.100 0.20 . 1 . . . . 169 Lys CB . 25194 1 835 . 1 1 73 73 LYS CG C 13 25.024 0.20 . 1 . . . . 169 Lys CG . 25194 1 836 . 1 1 73 73 LYS CE C 13 42.506 0.20 . 1 . . . . 169 Lys CE . 25194 1 837 . 1 1 73 73 LYS N N 15 123.259 0.30 . 1 . . . . 169 Lys N . 25194 1 838 . 1 1 74 74 SER H H 1 8.991 0.05 . 1 . . . . 170 Ser H . 25194 1 839 . 1 1 74 74 SER HA H 1 4.555 0.05 . 1 . . . . 170 Ser HA . 25194 1 840 . 1 1 74 74 SER HB2 H 1 4.076 0.05 . 2 . . . . 170 Ser HB2 . 25194 1 841 . 1 1 74 74 SER HB3 H 1 3.998 0.05 . 2 . . . . 170 Ser HB3 . 25194 1 842 . 1 1 74 74 SER C C 13 174.154 0.20 . 1 . . . . 170 Ser C . 25194 1 843 . 1 1 74 74 SER CA C 13 59.311 0.20 . 1 . . . . 170 Ser CA . 25194 1 844 . 1 1 74 74 SER CB C 13 63.818 0.20 . 1 . . . . 170 Ser CB . 25194 1 845 . 1 1 74 74 SER N N 15 121.700 0.30 . 1 . . . . 170 Ser N . 25194 1 846 . 1 1 75 75 ILE H H 1 8.878 0.05 . 1 . . . . 171 Ile H . 25194 1 847 . 1 1 75 75 ILE HA H 1 4.690 0.05 . 1 . . . . 171 Ile HA . 25194 1 848 . 1 1 75 75 ILE HB H 1 1.857 0.05 . 1 . . . . 171 Ile HB . 25194 1 849 . 1 1 75 75 ILE HG21 H 1 1.112 0.05 . 1 . . . . 171 Ile HG21 . 25194 1 850 . 1 1 75 75 ILE HG22 H 1 1.112 0.05 . 1 . . . . 171 Ile HG22 . 25194 1 851 . 1 1 75 75 ILE HG23 H 1 1.112 0.05 . 1 . . . . 171 Ile HG23 . 25194 1 852 . 1 1 75 75 ILE HD11 H 1 0.755 0.05 . 1 . . . . 171 Ile HD11 . 25194 1 853 . 1 1 75 75 ILE HD12 H 1 0.755 0.05 . 1 . . . . 171 Ile HD12 . 25194 1 854 . 1 1 75 75 ILE HD13 H 1 0.755 0.05 . 1 . . . . 171 Ile HD13 . 25194 1 855 . 1 1 75 75 ILE C C 13 174.704 0.20 . 1 . . . . 171 Ile C . 25194 1 856 . 1 1 75 75 ILE CA C 13 57.607 0.20 . 1 . . . . 171 Ile CA . 25194 1 857 . 1 1 75 75 ILE CB C 13 39.152 0.20 . 1 . . . . 171 Ile CB . 25194 1 858 . 1 1 75 75 ILE CG2 C 13 17.369 0.20 . 1 . . . . 171 Ile CG2 . 25194 1 859 . 1 1 75 75 ILE CD1 C 13 12.901 0.20 . 1 . . . . 171 Ile CD1 . 25194 1 860 . 1 1 75 75 ILE N N 15 126.076 0.30 . 1 . . . . 171 Ile N . 25194 1 861 . 1 1 76 76 PRO HA H 1 4.502 0.05 . 1 . . . . 172 Pro HA . 25194 1 862 . 1 1 76 76 PRO HB2 H 1 1.951 0.05 . 2 . . . . 172 Pro HB2 . 25194 1 863 . 1 1 76 76 PRO HB3 H 1 2.383 0.05 . 2 . . . . 172 Pro HB3 . 25194 1 864 . 1 1 76 76 PRO HG2 H 1 2.045 0.05 . 1 . . . . 172 Pro HG2 . 25194 1 865 . 1 1 76 76 PRO HG3 H 1 2.045 0.05 . 1 . . . . 172 Pro HG3 . 25194 1 866 . 1 1 76 76 PRO HD2 H 1 3.959 0.05 . 2 . . . . 172 Pro HD2 . 25194 1 867 . 1 1 76 76 PRO HD3 H 1 3.727 0.05 . 2 . . . . 172 Pro HD3 . 25194 1 868 . 1 1 76 76 PRO C C 13 177.280 0.20 . 1 . . . . 172 Pro C . 25194 1 869 . 1 1 76 76 PRO CA C 13 63.190 0.20 . 1 . . . . 172 Pro CA . 25194 1 870 . 1 1 76 76 PRO CB C 13 32.550 0.20 . 1 . . . . 172 Pro CB . 25194 1 871 . 1 1 76 76 PRO CG C 13 27.672 0.20 . 1 . . . . 172 Pro CG . 25194 1 872 . 1 1 76 76 PRO CD C 13 51.467 0.20 . 1 . . . . 172 Pro CD . 25194 1 873 . 1 1 77 77 ARG H H 1 8.455 0.05 . 1 . . . . 173 Arg H . 25194 1 874 . 1 1 77 77 ARG HA H 1 2.058 0.05 . 1 . . . . 173 Arg HA . 25194 1 875 . 1 1 77 77 ARG HB2 H 1 1.260 0.05 . 2 . . . . 173 Arg HB2 . 25194 1 876 . 1 1 77 77 ARG HB3 H 1 1.311 0.05 . 2 . . . . 173 Arg HB3 . 25194 1 877 . 1 1 77 77 ARG HG2 H 1 0.824 0.05 . 1 . . . . 173 Arg HG2 . 25194 1 878 . 1 1 77 77 ARG HG3 H 1 0.824 0.05 . 1 . . . . 173 Arg HG3 . 25194 1 879 . 1 1 77 77 ARG HD2 H 1 2.669 0.05 . 1 . . . . 173 Arg HD2 . 25194 1 880 . 1 1 77 77 ARG HD3 H 1 2.669 0.05 . 1 . . . . 173 Arg HD3 . 25194 1 881 . 1 1 77 77 ARG C C 13 178.144 0.20 . 1 . . . . 173 Arg C . 25194 1 882 . 1 1 77 77 ARG CA C 13 57.961 0.20 . 1 . . . . 173 Arg CA . 25194 1 883 . 1 1 77 77 ARG CB C 13 29.835 0.20 . 1 . . . . 173 Arg CB . 25194 1 884 . 1 1 77 77 ARG CG C 13 27.082 0.20 . 1 . . . . 173 Arg CG . 25194 1 885 . 1 1 77 77 ARG CD C 13 42.815 0.20 . 1 . . . . 173 Arg CD . 25194 1 886 . 1 1 77 77 ARG N N 15 123.073 0.30 . 1 . . . . 173 Arg N . 25194 1 887 . 1 1 78 78 SER H H 1 8.155 0.05 . 1 . . . . 174 Ser H . 25194 1 888 . 1 1 78 78 SER HA H 1 4.073 0.05 . 1 . . . . 174 Ser HA . 25194 1 889 . 1 1 78 78 SER HB2 H 1 3.805 0.05 . 1 . . . . 174 Ser HB2 . 25194 1 890 . 1 1 78 78 SER HB3 H 1 3.805 0.05 . 1 . . . . 174 Ser HB3 . 25194 1 891 . 1 1 78 78 SER C C 13 175.589 0.20 . 1 . . . . 174 Ser C . 25194 1 892 . 1 1 78 78 SER CA C 13 60.101 0.20 . 1 . . . . 174 Ser CA . 25194 1 893 . 1 1 78 78 SER CB C 13 62.407 0.20 . 1 . . . . 174 Ser CB . 25194 1 894 . 1 1 78 78 SER N N 15 113.179 0.30 . 1 . . . . 174 Ser N . 25194 1 895 . 1 1 79 79 GLU H H 1 8.173 0.05 . 1 . . . . 175 Glu H . 25194 1 896 . 1 1 79 79 GLU HA H 1 4.480 0.05 . 1 . . . . 175 Glu HA . 25194 1 897 . 1 1 79 79 GLU HB2 H 1 2.347 0.05 . 2 . . . . 175 Glu HB2 . 25194 1 898 . 1 1 79 79 GLU HB3 H 1 1.945 0.05 . 2 . . . . 175 Glu HB3 . 25194 1 899 . 1 1 79 79 GLU HG2 H 1 2.156 0.05 . 1 . . . . 175 Glu HG2 . 25194 1 900 . 1 1 79 79 GLU HG3 H 1 2.156 0.05 . 1 . . . . 175 Glu HG3 . 25194 1 901 . 1 1 79 79 GLU C C 13 177.660 0.20 . 1 . . . . 175 Glu C . 25194 1 902 . 1 1 79 79 GLU CA C 13 55.676 0.20 . 1 . . . . 175 Glu CA . 25194 1 903 . 1 1 79 79 GLU CB C 13 30.393 0.20 . 1 . . . . 175 Glu CB . 25194 1 904 . 1 1 79 79 GLU CG C 13 36.093 0.20 . 1 . . . . 175 Glu CG . 25194 1 905 . 1 1 79 79 GLU N N 15 119.862 0.30 . 1 . . . . 175 Glu N . 25194 1 906 . 1 1 80 80 TRP H H 1 7.851 0.05 . 1 . . . . 176 Trp H . 25194 1 907 . 1 1 80 80 TRP HA H 1 4.493 0.05 . 1 . . . . 176 Trp HA . 25194 1 908 . 1 1 80 80 TRP HB2 H 1 3.266 0.05 . 2 . . . . 176 Trp HB2 . 25194 1 909 . 1 1 80 80 TRP HB3 H 1 3.317 0.05 . 2 . . . . 176 Trp HB3 . 25194 1 910 . 1 1 80 80 TRP HD1 H 1 6.751 0.05 . 1 . . . . 176 Trp HD1 . 25194 1 911 . 1 1 80 80 TRP HE1 H 1 9.804 0.05 . 1 . . . . 176 Trp HE1 . 25194 1 912 . 1 1 80 80 TRP HE3 H 1 7.549 0.05 . 1 . . . . 176 Trp HE3 . 25194 1 913 . 1 1 80 80 TRP HZ2 H 1 7.648 0.05 . 1 . . . . 176 Trp HZ2 . 25194 1 914 . 1 1 80 80 TRP HZ3 H 1 7.096 0.05 . 1 . . . . 176 Trp HZ3 . 25194 1 915 . 1 1 80 80 TRP HH2 H 1 7.245 0.05 . 1 . . . . 176 Trp HH2 . 25194 1 916 . 1 1 80 80 TRP C C 13 177.602 0.20 . 1 . . . . 176 Trp C . 25194 1 917 . 1 1 80 80 TRP CA C 13 58.427 0.20 . 1 . . . . 176 Trp CA . 25194 1 918 . 1 1 80 80 TRP CB C 13 29.027 0.20 . 1 . . . . 176 Trp CB . 25194 1 919 . 1 1 80 80 TRP CD1 C 13 125.147 0.20 . 1 . . . . 176 Trp CD1 . 25194 1 920 . 1 1 80 80 TRP CE3 C 13 121.110 0.20 . 1 . . . . 176 Trp CE3 . 25194 1 921 . 1 1 80 80 TRP CZ2 C 13 114.404 0.20 . 1 . . . . 176 Trp CZ2 . 25194 1 922 . 1 1 80 80 TRP CZ3 C 13 122.039 0.20 . 1 . . . . 176 Trp CZ3 . 25194 1 923 . 1 1 80 80 TRP CH2 C 13 125.258 0.20 . 1 . . . . 176 Trp CH2 . 25194 1 924 . 1 1 80 80 TRP N N 15 121.646 0.30 . 1 . . . . 176 Trp N . 25194 1 925 . 1 1 80 80 TRP NE1 N 15 127.894 0.30 . 1 . . . . 176 Trp NE1 . 25194 1 926 . 1 1 81 81 GLY H H 1 8.674 0.05 . 1 . . . . 177 Gly H . 25194 1 927 . 1 1 81 81 GLY HA2 H 1 4.048 0.05 . 2 . . . . 177 Gly HA2 . 25194 1 928 . 1 1 81 81 GLY HA3 H 1 3.850 0.05 . 2 . . . . 177 Gly HA3 . 25194 1 929 . 1 1 81 81 GLY C C 13 174.208 0.20 . 1 . . . . 177 Gly C . 25194 1 930 . 1 1 81 81 GLY CA C 13 45.507 0.20 . 1 . . . . 177 Gly CA . 25194 1 931 . 1 1 81 81 GLY N N 15 107.957 0.30 . 1 . . . . 177 Gly N . 25194 1 932 . 1 1 82 82 ARG H H 1 7.666 0.05 . 1 . . . . 178 Arg H . 25194 1 933 . 1 1 82 82 ARG HA H 1 4.348 0.05 . 1 . . . . 178 Arg HA . 25194 1 934 . 1 1 82 82 ARG HB2 H 1 1.901 0.05 . 2 . . . . 178 Arg HB2 . 25194 1 935 . 1 1 82 82 ARG HB3 H 1 1.815 0.05 . 2 . . . . 178 Arg HB3 . 25194 1 936 . 1 1 82 82 ARG HG2 H 1 1.588 0.05 . 2 . . . . 178 Arg HG2 . 25194 1 937 . 1 1 82 82 ARG HG3 H 1 1.641 0.05 . 2 . . . . 178 Arg HG3 . 25194 1 938 . 1 1 82 82 ARG HD2 H 1 3.228 0.05 . 1 . . . . 178 Arg HD2 . 25194 1 939 . 1 1 82 82 ARG HD3 H 1 3.228 0.05 . 1 . . . . 178 Arg HD3 . 25194 1 940 . 1 1 82 82 ARG C C 13 176.352 0.20 . 1 . . . . 178 Arg C . 25194 1 941 . 1 1 82 82 ARG CA C 13 56.259 0.20 . 1 . . . . 178 Arg CA . 25194 1 942 . 1 1 82 82 ARG CB C 13 30.685 0.20 . 1 . . . . 178 Arg CB . 25194 1 943 . 1 1 82 82 ARG CG C 13 27.136 0.20 . 1 . . . . 178 Arg CG . 25194 1 944 . 1 1 82 82 ARG CD C 13 43.375 0.20 . 1 . . . . 178 Arg CD . 25194 1 945 . 1 1 82 82 ARG N N 15 120.638 0.30 . 1 . . . . 178 Arg N . 25194 1 946 . 1 1 83 83 ILE H H 1 8.187 0.05 . 1 . . . . 179 Ile H . 25194 1 947 . 1 1 83 83 ILE HA H 1 4.178 0.05 . 1 . . . . 179 Ile HA . 25194 1 948 . 1 1 83 83 ILE HB H 1 1.861 0.05 . 1 . . . . 179 Ile HB . 25194 1 949 . 1 1 83 83 ILE HG12 H 1 1.479 0.05 . 2 . . . . 179 Ile HG12 . 25194 1 950 . 1 1 83 83 ILE HG13 H 1 1.171 0.05 . 2 . . . . 179 Ile HG13 . 25194 1 951 . 1 1 83 83 ILE HG21 H 1 0.875 0.05 . 1 . . . . 179 Ile HG21 . 25194 1 952 . 1 1 83 83 ILE HG22 H 1 0.875 0.05 . 1 . . . . 179 Ile HG22 . 25194 1 953 . 1 1 83 83 ILE HG23 H 1 0.875 0.05 . 1 . . . . 179 Ile HG23 . 25194 1 954 . 1 1 83 83 ILE HD11 H 1 0.830 0.05 . 1 . . . . 179 Ile HD11 . 25194 1 955 . 1 1 83 83 ILE HD12 H 1 0.830 0.05 . 1 . . . . 179 Ile HD12 . 25194 1 956 . 1 1 83 83 ILE HD13 H 1 0.830 0.05 . 1 . . . . 179 Ile HD13 . 25194 1 957 . 1 1 83 83 ILE C C 13 175.942 0.20 . 1 . . . . 179 Ile C . 25194 1 958 . 1 1 83 83 ILE CA C 13 61.211 0.20 . 1 . . . . 179 Ile CA . 25194 1 959 . 1 1 83 83 ILE CB C 13 38.863 0.20 . 1 . . . . 179 Ile CB . 25194 1 960 . 1 1 83 83 ILE CG1 C 13 27.228 0.20 . 1 . . . . 179 Ile CG1 . 25194 1 961 . 1 1 83 83 ILE CG2 C 13 17.414 0.20 . 1 . . . . 179 Ile CG2 . 25194 1 962 . 1 1 83 83 ILE CD1 C 13 12.961 0.20 . 1 . . . . 179 Ile CD1 . 25194 1 963 . 1 1 83 83 ILE N N 15 122.408 0.30 . 1 . . . . 179 Ile N . 25194 1 964 . 1 1 84 84 ASP H H 1 8.469 0.05 . 1 . . . . 180 Asp H . 25194 1 965 . 1 1 84 84 ASP HA H 1 4.633 0.05 . 1 . . . . 180 Asp HA . 25194 1 966 . 1 1 84 84 ASP HB2 H 1 2.726 0.05 . 2 . . . . 180 Asp HB2 . 25194 1 967 . 1 1 84 84 ASP HB3 H 1 2.640 0.05 . 2 . . . . 180 Asp HB3 . 25194 1 968 . 1 1 84 84 ASP C C 13 176.582 0.20 . 1 . . . . 180 Asp C . 25194 1 969 . 1 1 84 84 ASP CA C 13 54.447 0.20 . 1 . . . . 180 Asp CA . 25194 1 970 . 1 1 84 84 ASP CB C 13 41.323 0.20 . 1 . . . . 180 Asp CB . 25194 1 971 . 1 1 84 84 ASP N N 15 124.504 0.30 . 1 . . . . 180 Asp N . 25194 1 972 . 1 1 85 85 LYS H H 1 8.352 0.05 . 1 . . . . 181 Lys H . 25194 1 973 . 1 1 85 85 LYS HA H 1 4.256 0.05 . 1 . . . . 181 Lys HA . 25194 1 974 . 1 1 85 85 LYS HB2 H 1 1.873 0.05 . 2 . . . . 181 Lys HB2 . 25194 1 975 . 1 1 85 85 LYS HB3 H 1 1.792 0.05 . 2 . . . . 181 Lys HB3 . 25194 1 976 . 1 1 85 85 LYS HG2 H 1 1.441 0.05 . 1 . . . . 181 Lys HG2 . 25194 1 977 . 1 1 85 85 LYS HG3 H 1 1.441 0.05 . 1 . . . . 181 Lys HG3 . 25194 1 978 . 1 1 85 85 LYS HD2 H 1 1.677 0.05 . 1 . . . . 181 Lys HD2 . 25194 1 979 . 1 1 85 85 LYS HD3 H 1 1.677 0.05 . 1 . . . . 181 Lys HD3 . 25194 1 980 . 1 1 85 85 LYS HE2 H 1 2.995 0.05 . 1 . . . . 181 Lys HE2 . 25194 1 981 . 1 1 85 85 LYS HE3 H 1 2.995 0.05 . 1 . . . . 181 Lys HE3 . 25194 1 982 . 1 1 85 85 LYS C C 13 176.648 0.20 . 1 . . . . 181 Lys C . 25194 1 983 . 1 1 85 85 LYS CA C 13 56.973 0.20 . 1 . . . . 181 Lys CA . 25194 1 984 . 1 1 85 85 LYS CB C 13 32.647 0.20 . 1 . . . . 181 Lys CB . 25194 1 985 . 1 1 85 85 LYS CG C 13 24.746 0.20 . 1 . . . . 181 Lys CG . 25194 1 986 . 1 1 85 85 LYS CD C 13 29.098 0.20 . 1 . . . . 181 Lys CD . 25194 1 987 . 1 1 85 85 LYS CE C 13 42.025 0.20 . 1 . . . . 181 Lys CE . 25194 1 988 . 1 1 85 85 LYS N N 15 121.899 0.30 . 1 . . . . 181 Lys N . 25194 1 989 . 1 1 86 86 ASP H H 1 8.314 0.05 . 1 . . . . 182 Asp H . 25194 1 990 . 1 1 86 86 ASP HA H 1 4.640 0.05 . 1 . . . . 182 Asp HA . 25194 1 991 . 1 1 86 86 ASP HB2 H 1 2.721 0.05 . 1 . . . . 182 Asp HB2 . 25194 1 992 . 1 1 86 86 ASP HB3 H 1 2.721 0.05 . 1 . . . . 182 Asp HB3 . 25194 1 993 . 1 1 86 86 ASP C C 13 176.944 0.20 . 1 . . . . 182 Asp C . 25194 1 994 . 1 1 86 86 ASP CA C 13 54.385 0.20 . 1 . . . . 182 Asp CA . 25194 1 995 . 1 1 86 86 ASP CB C 13 41.199 0.20 . 1 . . . . 182 Asp CB . 25194 1 996 . 1 1 86 86 ASP N N 15 119.954 0.30 . 1 . . . . 182 Asp N . 25194 1 997 . 1 1 87 87 GLY H H 1 8.309 0.05 . 1 . . . . 183 Gly H . 25194 1 998 . 1 1 87 87 GLY HA2 H 1 4.021 0.05 . 2 . . . . 183 Gly HA2 . 25194 1 999 . 1 1 87 87 GLY HA3 H 1 3.953 0.05 . 2 . . . . 183 Gly HA3 . 25194 1 1000 . 1 1 87 87 GLY C C 13 174.932 0.20 . 1 . . . . 183 Gly C . 25194 1 1001 . 1 1 87 87 GLY CA C 13 45.780 0.20 . 1 . . . . 183 Gly CA . 25194 1 1002 . 1 1 87 87 GLY N N 15 109.529 0.30 . 1 . . . . 183 Gly N . 25194 1 1003 . 1 1 88 88 SER H H 1 8.372 0.05 . 1 . . . . 184 Ser H . 25194 1 1004 . 1 1 88 88 SER HA H 1 4.392 0.05 . 1 . . . . 184 Ser HA . 25194 1 1005 . 1 1 88 88 SER HB2 H 1 3.875 0.05 . 1 . . . . 184 Ser HB2 . 25194 1 1006 . 1 1 88 88 SER HB3 H 1 3.875 0.05 . 1 . . . . 184 Ser HB3 . 25194 1 1007 . 1 1 88 88 SER C C 13 174.838 0.20 . 1 . . . . 184 Ser C . 25194 1 1008 . 1 1 88 88 SER CA C 13 59.137 0.20 . 1 . . . . 184 Ser CA . 25194 1 1009 . 1 1 88 88 SER CB C 13 63.793 0.20 . 1 . . . . 184 Ser CB . 25194 1 1010 . 1 1 88 88 SER N N 15 116.315 0.30 . 1 . . . . 184 Ser N . 25194 1 1011 . 1 1 89 89 ASN H H 1 8.566 0.05 . 1 . . . . 185 Asn H . 25194 1 1012 . 1 1 89 89 ASN HA H 1 4.767 0.05 . 1 . . . . 185 Asn HA . 25194 1 1013 . 1 1 89 89 ASN HB2 H 1 2.886 0.05 . 2 . . . . 185 Asn HB2 . 25194 1 1014 . 1 1 89 89 ASN HB3 H 1 2.785 0.05 . 2 . . . . 185 Asn HB3 . 25194 1 1015 . 1 1 89 89 ASN HD21 H 1 7.653 0.05 . 1 . . . . 185 Asn HD21 . 25194 1 1016 . 1 1 89 89 ASN HD22 H 1 6.932 0.05 . 1 . . . . 185 Asn HD22 . 25194 1 1017 . 1 1 89 89 ASN C C 13 175.630 0.20 . 1 . . . . 185 Asn C . 25194 1 1018 . 1 1 89 89 ASN CA C 13 53.419 0.20 . 1 . . . . 185 Asn CA . 25194 1 1019 . 1 1 89 89 ASN CB C 13 38.764 0.20 . 1 . . . . 185 Asn CB . 25194 1 1020 . 1 1 89 89 ASN N N 15 120.695 0.30 . 1 . . . . 185 Asn N . 25194 1 1021 . 1 1 89 89 ASN ND2 N 15 113.034 0.30 . 1 . . . . 185 Asn ND2 . 25194 1 1022 . 1 1 90 90 SER H H 1 8.212 0.05 . 1 . . . . 186 Ser H . 25194 1 1023 . 1 1 90 90 SER HA H 1 4.400 0.05 . 1 . . . . 186 Ser HA . 25194 1 1024 . 1 1 90 90 SER HB2 H 1 3.917 0.05 . 2 . . . . 186 Ser HB2 . 25194 1 1025 . 1 1 90 90 SER HB3 H 1 3.871 0.05 . 2 . . . . 186 Ser HB3 . 25194 1 1026 . 1 1 90 90 SER C C 13 175.013 0.20 . 1 . . . . 186 Ser C . 25194 1 1027 . 1 1 90 90 SER CA C 13 58.990 0.20 . 1 . . . . 186 Ser CA . 25194 1 1028 . 1 1 90 90 SER CB C 13 63.765 0.20 . 1 . . . . 186 Ser CB . 25194 1 1029 . 1 1 90 90 SER N N 15 115.903 0.30 . 1 . . . . 186 Ser N . 25194 1 1030 . 1 1 91 91 LYS H H 1 8.361 0.05 . 1 . . . . 187 Lys H . 25194 1 1031 . 1 1 91 91 LYS HA H 1 4.260 0.05 . 1 . . . . 187 Lys HA . 25194 1 1032 . 1 1 91 91 LYS HB2 H 1 1.879 0.05 . 2 . . . . 187 Lys HB2 . 25194 1 1033 . 1 1 91 91 LYS HB3 H 1 1.789 0.05 . 2 . . . . 187 Lys HB3 . 25194 1 1034 . 1 1 91 91 LYS HG2 H 1 1.439 0.05 . 1 . . . . 187 Lys HG2 . 25194 1 1035 . 1 1 91 91 LYS HG3 H 1 1.439 0.05 . 1 . . . . 187 Lys HG3 . 25194 1 1036 . 1 1 91 91 LYS HD2 H 1 1.676 0.05 . 1 . . . . 187 Lys HD2 . 25194 1 1037 . 1 1 91 91 LYS HD3 H 1 1.676 0.05 . 1 . . . . 187 Lys HD3 . 25194 1 1038 . 1 1 91 91 LYS HE2 H 1 2.993 0.05 . 1 . . . . 187 Lys HE2 . 25194 1 1039 . 1 1 91 91 LYS HE3 H 1 2.993 0.05 . 1 . . . . 187 Lys HE3 . 25194 1 1040 . 1 1 91 91 LYS C C 13 176.756 0.20 . 1 . . . . 187 Lys C . 25194 1 1041 . 1 1 91 91 LYS CA C 13 56.900 0.20 . 1 . . . . 187 Lys CA . 25194 1 1042 . 1 1 91 91 LYS CB C 13 32.700 0.20 . 1 . . . . 187 Lys CB . 25194 1 1043 . 1 1 91 91 LYS CG C 13 24.746 0.20 . 1 . . . . 187 Lys CG . 25194 1 1044 . 1 1 91 91 LYS CD C 13 29.010 0.20 . 1 . . . . 187 Lys CD . 25194 1 1045 . 1 1 91 91 LYS CE C 13 42.025 0.20 . 1 . . . . 187 Lys CE . 25194 1 1046 . 1 1 91 91 LYS N N 15 122.582 0.30 . 1 . . . . 187 Lys N . 25194 1 1047 . 1 1 92 92 GLN H H 1 8.170 0.05 . 1 . . . . 188 Gln H . 25194 1 1048 . 1 1 92 92 GLN HA H 1 4.343 0.05 . 1 . . . . 188 Gln HA . 25194 1 1049 . 1 1 92 92 GLN HB2 H 1 2.101 0.05 . 2 . . . . 188 Gln HB2 . 25194 1 1050 . 1 1 92 92 GLN HB3 H 1 1.990 0.05 . 2 . . . . 188 Gln HB3 . 25194 1 1051 . 1 1 92 92 GLN HG2 H 1 2.314 0.05 . 2 . . . . 188 Gln HG2 . 25194 1 1052 . 1 1 92 92 GLN HG3 H 1 2.380 0.05 . 2 . . . . 188 Gln HG3 . 25194 1 1053 . 1 1 92 92 GLN HE21 H 1 7.681 0.05 . 1 . . . . 188 Gln HE21 . 25194 1 1054 . 1 1 92 92 GLN HE22 H 1 6.872 0.05 . 1 . . . . 188 Gln HE22 . 25194 1 1055 . 1 1 92 92 GLN C C 13 175.992 0.20 . 1 . . . . 188 Gln C . 25194 1 1056 . 1 1 92 92 GLN CA C 13 56.172 0.20 . 1 . . . . 188 Gln CA . 25194 1 1057 . 1 1 92 92 GLN CB C 13 29.508 0.20 . 1 . . . . 188 Gln CB . 25194 1 1058 . 1 1 92 92 GLN CG C 13 33.929 0.20 . 1 . . . . 188 Gln CG . 25194 1 1059 . 1 1 92 92 GLN N N 15 119.939 0.30 . 1 . . . . 188 Gln N . 25194 1 1060 . 1 1 92 92 GLN NE2 N 15 112.380 0.30 . 1 . . . . 188 Gln NE2 . 25194 1 1061 . 1 1 93 93 SER H H 1 8.453 0.05 . 1 . . . . 189 Ser H . 25194 1 1062 . 1 1 93 93 SER HA H 1 4.479 0.05 . 1 . . . . 189 Ser HA . 25194 1 1063 . 1 1 93 93 SER HB2 H 1 3.940 0.05 . 1 . . . . 189 Ser HB2 . 25194 1 1064 . 1 1 93 93 SER HB3 H 1 3.940 0.05 . 1 . . . . 189 Ser HB3 . 25194 1 1065 . 1 1 93 93 SER C C 13 174.033 0.20 . 1 . . . . 189 Ser C . 25194 1 1066 . 1 1 93 93 SER CA C 13 58.319 0.20 . 1 . . . . 189 Ser CA . 25194 1 1067 . 1 1 93 93 SER CB C 13 63.601 0.20 . 1 . . . . 189 Ser CB . 25194 1 1068 . 1 1 93 93 SER N N 15 117.657 0.30 . 1 . . . . 189 Ser N . 25194 1 1069 . 1 1 94 94 ARG H H 1 8.071 0.05 . 1 . . . . 190 Arg H . 25194 1 1070 . 1 1 94 94 ARG HA H 1 4.767 0.05 . 1 . . . . 190 Arg HA . 25194 1 1071 . 1 1 94 94 ARG HB2 H 1 1.453 0.05 . 2 . . . . 190 Arg HB2 . 25194 1 1072 . 1 1 94 94 ARG HB3 H 1 1.371 0.05 . 2 . . . . 190 Arg HB3 . 25194 1 1073 . 1 1 94 94 ARG HG2 H 1 1.274 0.05 . 1 . . . . 190 Arg HG2 . 25194 1 1074 . 1 1 94 94 ARG HG3 H 1 1.274 0.05 . 1 . . . . 190 Arg HG3 . 25194 1 1075 . 1 1 94 94 ARG HD2 H 1 2.855 0.05 . 1 . . . . 190 Arg HD2 . 25194 1 1076 . 1 1 94 94 ARG HD3 H 1 2.855 0.05 . 1 . . . . 190 Arg HD3 . 25194 1 1077 . 1 1 94 94 ARG C C 13 174.992 0.20 . 1 . . . . 190 Arg C . 25194 1 1078 . 1 1 94 94 ARG CA C 13 55.154 0.20 . 1 . . . . 190 Arg CA . 25194 1 1079 . 1 1 94 94 ARG CB C 13 32.618 0.20 . 1 . . . . 190 Arg CB . 25194 1 1080 . 1 1 94 94 ARG CG C 13 27.172 0.20 . 1 . . . . 190 Arg CG . 25194 1 1081 . 1 1 94 94 ARG CD C 13 43.748 0.20 . 1 . . . . 190 Arg CD . 25194 1 1082 . 1 1 94 94 ARG N N 15 123.761 0.30 . 1 . . . . 190 Arg N . 25194 1 1083 . 1 1 95 95 THR H H 1 8.566 0.05 . 1 . . . . 191 Thr H . 25194 1 1084 . 1 1 95 95 THR HA H 1 3.992 0.05 . 1 . . . . 191 Thr HA . 25194 1 1085 . 1 1 95 95 THR HB H 1 2.045 0.05 . 1 . . . . 191 Thr HB . 25194 1 1086 . 1 1 95 95 THR HG21 H 1 0.303 0.05 . 1 . . . . 191 Thr HG21 . 25194 1 1087 . 1 1 95 95 THR HG22 H 1 0.303 0.05 . 1 . . . . 191 Thr HG22 . 25194 1 1088 . 1 1 95 95 THR HG23 H 1 0.303 0.05 . 1 . . . . 191 Thr HG23 . 25194 1 1089 . 1 1 95 95 THR C C 13 170.304 0.20 . 1 . . . . 191 Thr C . 25194 1 1090 . 1 1 95 95 THR CA C 13 61.698 0.20 . 1 . . . . 191 Thr CA . 25194 1 1091 . 1 1 95 95 THR CB C 13 70.860 0.20 . 1 . . . . 191 Thr CB . 25194 1 1092 . 1 1 95 95 THR CG2 C 13 22.042 0.20 . 1 . . . . 191 Thr CG2 . 25194 1 1093 . 1 1 95 95 THR N N 15 120.781 0.30 . 1 . . . . 191 Thr N . 25194 1 1094 . 1 1 96 96 GLU H H 1 8.145 0.05 . 1 . . . . 192 Glu H . 25194 1 1095 . 1 1 96 96 GLU HA H 1 4.955 0.05 . 1 . . . . 192 Glu HA . 25194 1 1096 . 1 1 96 96 GLU HB2 H 1 1.829 0.05 . 2 . . . . 192 Glu HB2 . 25194 1 1097 . 1 1 96 96 GLU HB3 H 1 1.661 0.05 . 2 . . . . 192 Glu HB3 . 25194 1 1098 . 1 1 96 96 GLU HG2 H 1 1.877 0.05 . 1 . . . . 192 Glu HG2 . 25194 1 1099 . 1 1 96 96 GLU HG3 H 1 1.877 0.05 . 1 . . . . 192 Glu HG3 . 25194 1 1100 . 1 1 96 96 GLU C C 13 174.731 0.20 . 1 . . . . 192 Glu C . 25194 1 1101 . 1 1 96 96 GLU CA C 13 54.248 0.20 . 1 . . . . 192 Glu CA . 25194 1 1102 . 1 1 96 96 GLU CB C 13 31.345 0.20 . 1 . . . . 192 Glu CB . 25194 1 1103 . 1 1 96 96 GLU CG C 13 35.521 0.20 . 1 . . . . 192 Glu CG . 25194 1 1104 . 1 1 96 96 GLU N N 15 125.459 0.30 . 1 . . . . 192 Glu N . 25194 1 1105 . 1 1 97 97 TRP H H 1 9.117 0.05 . 1 . . . . 193 Trp H . 25194 1 1106 . 1 1 97 97 TRP HA H 1 5.099 0.05 . 1 . . . . 193 Trp HA . 25194 1 1107 . 1 1 97 97 TRP HB2 H 1 3.137 0.05 . 2 . . . . 193 Trp HB2 . 25194 1 1108 . 1 1 97 97 TRP HB3 H 1 2.219 0.05 . 2 . . . . 193 Trp HB3 . 25194 1 1109 . 1 1 97 97 TRP HD1 H 1 6.968 0.05 . 1 . . . . 193 Trp HD1 . 25194 1 1110 . 1 1 97 97 TRP HE1 H 1 9.877 0.05 . 1 . . . . 193 Trp HE1 . 25194 1 1111 . 1 1 97 97 TRP HE3 H 1 7.352 0.05 . 1 . . . . 193 Trp HE3 . 25194 1 1112 . 1 1 97 97 TRP HZ2 H 1 7.415 0.05 . 1 . . . . 193 Trp HZ2 . 25194 1 1113 . 1 1 97 97 TRP HZ3 H 1 6.993 0.05 . 1 . . . . 193 Trp HZ3 . 25194 1 1114 . 1 1 97 97 TRP HH2 H 1 7.070 0.05 . 1 . . . . 193 Trp HH2 . 25194 1 1115 . 1 1 97 97 TRP C C 13 172.732 0.20 . 1 . . . . 193 Trp C . 25194 1 1116 . 1 1 97 97 TRP CA C 13 54.463 0.20 . 1 . . . . 193 Trp CA . 25194 1 1117 . 1 1 97 97 TRP CB C 13 34.098 0.20 . 1 . . . . 193 Trp CB . 25194 1 1118 . 1 1 97 97 TRP CD1 C 13 123.826 0.20 . 1 . . . . 193 Trp CD1 . 25194 1 1119 . 1 1 97 97 TRP CE3 C 13 122.413 0.20 . 1 . . . . 193 Trp CE3 . 25194 1 1120 . 1 1 97 97 TRP CZ2 C 13 113.290 0.20 . 1 . . . . 193 Trp CZ2 . 25194 1 1121 . 1 1 97 97 TRP CZ3 C 13 121.118 0.20 . 1 . . . . 193 Trp CZ3 . 25194 1 1122 . 1 1 97 97 TRP CH2 C 13 123.470 0.20 . 1 . . . . 193 Trp CH2 . 25194 1 1123 . 1 1 97 97 TRP N N 15 127.655 0.30 . 1 . . . . 193 Trp N . 25194 1 1124 . 1 1 97 97 TRP NE1 N 15 126.953 0.30 . 1 . . . . 193 Trp NE1 . 25194 1 1125 . 1 1 98 98 ASP H H 1 8.342 0.05 . 1 . . . . 194 Asp H . 25194 1 1126 . 1 1 98 98 ASP HA H 1 5.255 0.05 . 1 . . . . 194 Asp HA . 25194 1 1127 . 1 1 98 98 ASP HB2 H 1 2.640 0.05 . 2 . . . . 194 Asp HB2 . 25194 1 1128 . 1 1 98 98 ASP HB3 H 1 2.834 0.05 . 2 . . . . 194 Asp HB3 . 25194 1 1129 . 1 1 98 98 ASP C C 13 175.992 0.20 . 1 . . . . 194 Asp C . 25194 1 1130 . 1 1 98 98 ASP CA C 13 52.790 0.20 . 1 . . . . 194 Asp CA . 25194 1 1131 . 1 1 98 98 ASP CB C 13 40.871 0.20 . 1 . . . . 194 Asp CB . 25194 1 1132 . 1 1 98 98 ASP N N 15 122.280 0.30 . 1 . . . . 194 Asp N . 25194 1 1133 . 1 1 99 99 TYR H H 1 9.684 0.05 . 1 . . . . 195 Tyr H . 25194 1 1134 . 1 1 99 99 TYR HA H 1 5.075 0.05 . 1 . . . . 195 Tyr HA . 25194 1 1135 . 1 1 99 99 TYR HB2 H 1 3.082 0.05 . 2 . . . . 195 Tyr HB2 . 25194 1 1136 . 1 1 99 99 TYR HB3 H 1 2.666 0.05 . 2 . . . . 195 Tyr HB3 . 25194 1 1137 . 1 1 99 99 TYR HD1 H 1 7.033 0.05 . 3 . . . . 195 Tyr HD1 . 25194 1 1138 . 1 1 99 99 TYR HD2 H 1 7.033 0.05 . 3 . . . . 195 Tyr HD2 . 25194 1 1139 . 1 1 99 99 TYR HE1 H 1 6.792 0.05 . 3 . . . . 195 Tyr HE1 . 25194 1 1140 . 1 1 99 99 TYR HE2 H 1 6.792 0.05 . 3 . . . . 195 Tyr HE2 . 25194 1 1141 . 1 1 99 99 TYR C C 13 176.864 0.20 . 1 . . . . 195 Tyr C . 25194 1 1142 . 1 1 99 99 TYR CA C 13 56.748 0.20 . 1 . . . . 195 Tyr CA . 25194 1 1143 . 1 1 99 99 TYR CB C 13 39.594 0.20 . 1 . . . . 195 Tyr CB . 25194 1 1144 . 1 1 99 99 TYR CD1 C 13 133.683 0.20 . 3 . . . . 195 Tyr CD1 . 25194 1 1145 . 1 1 99 99 TYR CD2 C 13 133.683 0.20 . 3 . . . . 195 Tyr CD2 . 25194 1 1146 . 1 1 99 99 TYR CE1 C 13 118.034 0.20 . 3 . . . . 195 Tyr CE1 . 25194 1 1147 . 1 1 99 99 TYR CE2 C 13 118.034 0.20 . 3 . . . . 195 Tyr CE2 . 25194 1 1148 . 1 1 99 99 TYR N N 15 126.550 0.30 . 1 . . . . 195 Tyr N . 25194 1 1149 . 1 1 100 100 GLY H H 1 9.569 0.05 . 1 . . . . 196 Gly H . 25194 1 1150 . 1 1 100 100 GLY HA2 H 1 4.623 0.05 . 2 . . . . 196 Gly HA2 . 25194 1 1151 . 1 1 100 100 GLY HA3 H 1 3.785 0.05 . 2 . . . . 196 Gly HA3 . 25194 1 1152 . 1 1 100 100 GLY C C 13 173.845 0.20 . 1 . . . . 196 Gly C . 25194 1 1153 . 1 1 100 100 GLY CA C 13 45.065 0.20 . 1 . . . . 196 Gly CA . 25194 1 1154 . 1 1 100 100 GLY N N 15 115.316 0.30 . 1 . . . . 196 Gly N . 25194 1 1155 . 1 1 101 101 GLU H H 1 9.574 0.05 . 1 . . . . 197 Glu H . 25194 1 1156 . 1 1 101 101 GLU HA H 1 4.667 0.05 . 1 . . . . 197 Glu HA . 25194 1 1157 . 1 1 101 101 GLU HB2 H 1 2.357 0.05 . 1 . . . . 197 Glu HB2 . 25194 1 1158 . 1 1 101 101 GLU HB3 H 1 2.357 0.05 . 1 . . . . 197 Glu HB3 . 25194 1 1159 . 1 1 101 101 GLU HG2 H 1 2.982 0.05 . 2 . . . . 197 Glu HG2 . 25194 1 1160 . 1 1 101 101 GLU HG3 H 1 2.518 0.05 . 2 . . . . 197 Glu HG3 . 25194 1 1161 . 1 1 101 101 GLU C C 13 174.922 0.20 . 1 . . . . 197 Glu C . 25194 1 1162 . 1 1 101 101 GLU CA C 13 56.901 0.20 . 1 . . . . 197 Glu CA . 25194 1 1163 . 1 1 101 101 GLU CB C 13 32.686 0.20 . 1 . . . . 197 Glu CB . 25194 1 1164 . 1 1 101 101 GLU CG C 13 37.126 0.20 . 1 . . . . 197 Glu CG . 25194 1 1165 . 1 1 101 101 GLU N N 15 127.262 0.30 . 1 . . . . 197 Glu N . 25194 1 1166 . 1 1 102 102 ILE H H 1 8.682 0.05 . 1 . . . . 198 Ile H . 25194 1 1167 . 1 1 102 102 ILE HA H 1 5.183 0.05 . 1 . . . . 198 Ile HA . 25194 1 1168 . 1 1 102 102 ILE HB H 1 0.571 0.05 . 1 . . . . 198 Ile HB . 25194 1 1169 . 1 1 102 102 ILE HG12 H 1 0.605 0.05 . 2 . . . . 198 Ile HG12 . 25194 1 1170 . 1 1 102 102 ILE HG13 H 1 1.041 0.05 . 2 . . . . 198 Ile HG13 . 25194 1 1171 . 1 1 102 102 ILE HG21 H 1 -0.443 0.05 . 1 . . . . 198 Ile HG21 . 25194 1 1172 . 1 1 102 102 ILE HG22 H 1 -0.443 0.05 . 1 . . . . 198 Ile HG22 . 25194 1 1173 . 1 1 102 102 ILE HG23 H 1 -0.443 0.05 . 1 . . . . 198 Ile HG23 . 25194 1 1174 . 1 1 102 102 ILE HD11 H 1 -0.018 0.05 . 1 . . . . 198 Ile HD11 . 25194 1 1175 . 1 1 102 102 ILE HD12 H 1 -0.018 0.05 . 1 . . . . 198 Ile HD12 . 25194 1 1176 . 1 1 102 102 ILE HD13 H 1 -0.018 0.05 . 1 . . . . 198 Ile HD13 . 25194 1 1177 . 1 1 102 102 ILE C C 13 176.605 0.20 . 1 . . . . 198 Ile C . 25194 1 1178 . 1 1 102 102 ILE CA C 13 59.599 0.20 . 1 . . . . 198 Ile CA . 25194 1 1179 . 1 1 102 102 ILE CB C 13 40.010 0.20 . 1 . . . . 198 Ile CB . 25194 1 1180 . 1 1 102 102 ILE CG1 C 13 27.267 0.20 . 1 . . . . 198 Ile CG1 . 25194 1 1181 . 1 1 102 102 ILE CG2 C 13 16.506 0.20 . 1 . . . . 198 Ile CG2 . 25194 1 1182 . 1 1 102 102 ILE CD1 C 13 13.170 0.20 . 1 . . . . 198 Ile CD1 . 25194 1 1183 . 1 1 102 102 ILE N N 15 118.442 0.30 . 1 . . . . 198 Ile N . 25194 1 1184 . 1 1 103 103 HIS H H 1 9.455 0.05 . 1 . . . . 199 His H . 25194 1 1185 . 1 1 103 103 HIS HA H 1 5.308 0.05 . 1 . . . . 199 His HA . 25194 1 1186 . 1 1 103 103 HIS HB2 H 1 3.072 0.05 . 1 . . . . 199 His HB2 . 25194 1 1187 . 1 1 103 103 HIS HB3 H 1 3.072 0.05 . 1 . . . . 199 His HB3 . 25194 1 1188 . 1 1 103 103 HIS HD2 H 1 6.940 0.05 . 1 . . . . 199 His HD2 . 25194 1 1189 . 1 1 103 103 HIS HE1 H 1 8.590 0.05 . 1 . . . . 199 His HE1 . 25194 1 1190 . 1 1 103 103 HIS C C 13 174.438 0.20 . 1 . . . . 199 His C . 25194 1 1191 . 1 1 103 103 HIS CA C 13 53.760 0.20 . 1 . . . . 199 His CA . 25194 1 1192 . 1 1 103 103 HIS CB C 13 34.219 0.20 . 1 . . . . 199 His CB . 25194 1 1193 . 1 1 103 103 HIS CD2 C 13 118.503 0.20 . 1 . . . . 199 His CD2 . 25194 1 1194 . 1 1 103 103 HIS CE1 C 13 136.671 0.20 . 1 . . . . 199 His CE1 . 25194 1 1195 . 1 1 103 103 HIS N N 15 125.905 0.30 . 1 . . . . 199 His N . 25194 1 1196 . 1 1 104 104 SER H H 1 8.608 0.05 . 1 . . . . 200 Ser H . 25194 1 1197 . 1 1 104 104 SER HA H 1 4.628 0.05 . 1 . . . . 200 Ser HA . 25194 1 1198 . 1 1 104 104 SER HB2 H 1 4.270 0.05 . 2 . . . . 200 Ser HB2 . 25194 1 1199 . 1 1 104 104 SER HB3 H 1 4.004 0.05 . 2 . . . . 200 Ser HB3 . 25194 1 1200 . 1 1 104 104 SER C C 13 172.880 0.20 . 1 . . . . 200 Ser C . 25194 1 1201 . 1 1 104 104 SER CA C 13 57.960 0.20 . 1 . . . . 200 Ser CA . 25194 1 1202 . 1 1 104 104 SER CB C 13 64.550 0.20 . 1 . . . . 200 Ser CB . 25194 1 1203 . 1 1 104 104 SER N N 15 114.925 0.30 . 1 . . . . 200 Ser N . 25194 1 1204 . 1 1 105 105 ILE H H 1 9.863 0.05 . 1 . . . . 201 Ile H . 25194 1 1205 . 1 1 105 105 ILE HA H 1 4.375 0.05 . 1 . . . . 201 Ile HA . 25194 1 1206 . 1 1 105 105 ILE HB H 1 1.473 0.05 . 1 . . . . 201 Ile HB . 25194 1 1207 . 1 1 105 105 ILE HG21 H 1 0.885 0.05 . 1 . . . . 201 Ile HG21 . 25194 1 1208 . 1 1 105 105 ILE HG22 H 1 0.885 0.05 . 1 . . . . 201 Ile HG22 . 25194 1 1209 . 1 1 105 105 ILE HG23 H 1 0.885 0.05 . 1 . . . . 201 Ile HG23 . 25194 1 1210 . 1 1 105 105 ILE HD11 H 1 0.639 0.05 . 1 . . . . 201 Ile HD11 . 25194 1 1211 . 1 1 105 105 ILE HD12 H 1 0.639 0.05 . 1 . . . . 201 Ile HD12 . 25194 1 1212 . 1 1 105 105 ILE HD13 H 1 0.639 0.05 . 1 . . . . 201 Ile HD13 . 25194 1 1213 . 1 1 105 105 ILE C C 13 176.582 0.20 . 1 . . . . 201 Ile C . 25194 1 1214 . 1 1 105 105 ILE CA C 13 59.453 0.20 . 1 . . . . 201 Ile CA . 25194 1 1215 . 1 1 105 105 ILE CB C 13 40.216 0.20 . 1 . . . . 201 Ile CB . 25194 1 1216 . 1 1 105 105 ILE CG2 C 13 17.088 0.20 . 1 . . . . 201 Ile CG2 . 25194 1 1217 . 1 1 105 105 ILE CD1 C 13 14.748 0.20 . 1 . . . . 201 Ile CD1 . 25194 1 1218 . 1 1 105 105 ILE N N 15 121.405 0.30 . 1 . . . . 201 Ile N . 25194 1 1219 . 1 1 106 106 ARG H H 1 8.584 0.05 . 1 . . . . 202 Arg H . 25194 1 1220 . 1 1 106 106 ARG HA H 1 3.981 0.05 . 1 . . . . 202 Arg HA . 25194 1 1221 . 1 1 106 106 ARG HB2 H 1 1.585 0.05 . 2 . . . . 202 Arg HB2 . 25194 1 1222 . 1 1 106 106 ARG HB3 H 1 1.725 0.05 . 2 . . . . 202 Arg HB3 . 25194 1 1223 . 1 1 106 106 ARG HG2 H 1 1.451 0.05 . 1 . . . . 202 Arg HG2 . 25194 1 1224 . 1 1 106 106 ARG HG3 H 1 1.451 0.05 . 1 . . . . 202 Arg HG3 . 25194 1 1225 . 1 1 106 106 ARG HD2 H 1 3.171 0.05 . 1 . . . . 202 Arg HD2 . 25194 1 1226 . 1 1 106 106 ARG HD3 H 1 3.171 0.05 . 1 . . . . 202 Arg HD3 . 25194 1 1227 . 1 1 106 106 ARG C C 13 177.508 0.20 . 1 . . . . 202 Arg C . 25194 1 1228 . 1 1 106 106 ARG CA C 13 58.442 0.20 . 1 . . . . 202 Arg CA . 25194 1 1229 . 1 1 106 106 ARG CB C 13 29.543 0.20 . 1 . . . . 202 Arg CB . 25194 1 1230 . 1 1 106 106 ARG CG C 13 27.164 0.20 . 1 . . . . 202 Arg CG . 25194 1 1231 . 1 1 106 106 ARG CD C 13 43.343 0.20 . 1 . . . . 202 Arg CD . 25194 1 1232 . 1 1 106 106 ARG N N 15 126.700 0.30 . 1 . . . . 202 Arg N . 25194 1 1233 . 1 1 107 107 GLY H H 1 8.785 0.05 . 1 . . . . 203 Gly H . 25194 1 1234 . 1 1 107 107 GLY HA2 H 1 4.179 0.05 . 2 . . . . 203 Gly HA2 . 25194 1 1235 . 1 1 107 107 GLY HA3 H 1 3.729 0.05 . 2 . . . . 203 Gly HA3 . 25194 1 1236 . 1 1 107 107 GLY C C 13 173.926 0.20 . 1 . . . . 203 Gly C . 25194 1 1237 . 1 1 107 107 GLY CA C 13 45.502 0.20 . 1 . . . . 203 Gly CA . 25194 1 1238 . 1 1 107 107 GLY N N 15 112.383 0.30 . 1 . . . . 203 Gly N . 25194 1 1239 . 1 1 108 108 LYS H H 1 8.071 0.05 . 1 . . . . 204 Lys H . 25194 1 1240 . 1 1 108 108 LYS HA H 1 4.840 0.05 . 1 . . . . 204 Lys HA . 25194 1 1241 . 1 1 108 108 LYS HB2 H 1 1.726 0.05 . 1 . . . . 204 Lys HB2 . 25194 1 1242 . 1 1 108 108 LYS HB3 H 1 1.726 0.05 . 1 . . . . 204 Lys HB3 . 25194 1 1243 . 1 1 108 108 LYS HG2 H 1 1.341 0.05 . 1 . . . . 204 Lys HG2 . 25194 1 1244 . 1 1 108 108 LYS HG3 H 1 1.341 0.05 . 1 . . . . 204 Lys HG3 . 25194 1 1245 . 1 1 108 108 LYS HD2 H 1 1.420 0.05 . 1 . . . . 204 Lys HD2 . 25194 1 1246 . 1 1 108 108 LYS HD3 H 1 1.420 0.05 . 1 . . . . 204 Lys HD3 . 25194 1 1247 . 1 1 108 108 LYS C C 13 176.618 0.20 . 1 . . . . 204 Lys C . 25194 1 1248 . 1 1 108 108 LYS CA C 13 54.041 0.20 . 1 . . . . 204 Lys CA . 25194 1 1249 . 1 1 108 108 LYS CB C 13 35.395 0.20 . 1 . . . . 204 Lys CB . 25194 1 1250 . 1 1 108 108 LYS CG C 13 24.965 0.20 . 1 . . . . 204 Lys CG . 25194 1 1251 . 1 1 108 108 LYS CD C 13 29.155 0.20 . 1 . . . . 204 Lys CD . 25194 1 1252 . 1 1 108 108 LYS N N 15 119.106 0.30 . 1 . . . . 204 Lys N . 25194 1 1253 . 1 1 109 109 SER H H 1 9.186 0.05 . 1 . . . . 205 Ser H . 25194 1 1254 . 1 1 109 109 SER HA H 1 4.647 0.05 . 1 . . . . 205 Ser HA . 25194 1 1255 . 1 1 109 109 SER HB2 H 1 3.933 0.05 . 2 . . . . 205 Ser HB2 . 25194 1 1256 . 1 1 109 109 SER HB3 H 1 4.131 0.05 . 2 . . . . 205 Ser HB3 . 25194 1 1257 . 1 1 109 109 SER C C 13 176.555 0.20 . 1 . . . . 205 Ser C . 25194 1 1258 . 1 1 109 109 SER CA C 13 57.826 0.20 . 1 . . . . 205 Ser CA . 25194 1 1259 . 1 1 109 109 SER CB C 13 63.552 0.20 . 1 . . . . 205 Ser CB . 25194 1 1260 . 1 1 109 109 SER N N 15 120.373 0.30 . 1 . . . . 205 Ser N . 25194 1 1261 . 1 1 110 110 LEU H H 1 9.104 0.05 . 1 . . . . 206 Leu H . 25194 1 1262 . 1 1 110 110 LEU HA H 1 4.691 0.05 . 1 . . . . 206 Leu HA . 25194 1 1263 . 1 1 110 110 LEU HB2 H 1 1.720 0.05 . 2 . . . . 206 Leu HB2 . 25194 1 1264 . 1 1 110 110 LEU HB3 H 1 1.929 0.05 . 2 . . . . 206 Leu HB3 . 25194 1 1265 . 1 1 110 110 LEU HG H 1 1.937 0.05 . 1 . . . . 206 Leu HG . 25194 1 1266 . 1 1 110 110 LEU HD11 H 1 0.909 0.05 . 1 . . . . 206 Leu HD11 . 25194 1 1267 . 1 1 110 110 LEU HD12 H 1 0.909 0.05 . 1 . . . . 206 Leu HD12 . 25194 1 1268 . 1 1 110 110 LEU HD13 H 1 0.909 0.05 . 1 . . . . 206 Leu HD13 . 25194 1 1269 . 1 1 110 110 LEU HD21 H 1 0.909 0.05 . 1 . . . . 206 Leu HD21 . 25194 1 1270 . 1 1 110 110 LEU HD22 H 1 0.909 0.05 . 1 . . . . 206 Leu HD22 . 25194 1 1271 . 1 1 110 110 LEU HD23 H 1 0.909 0.05 . 1 . . . . 206 Leu HD23 . 25194 1 1272 . 1 1 110 110 LEU C C 13 177.092 0.20 . 1 . . . . 206 Leu C . 25194 1 1273 . 1 1 110 110 LEU CA C 13 57.532 0.20 . 1 . . . . 206 Leu CA . 25194 1 1274 . 1 1 110 110 LEU CB C 13 43.121 0.20 . 1 . . . . 206 Leu CB . 25194 1 1275 . 1 1 110 110 LEU CG C 13 27.322 0.20 . 1 . . . . 206 Leu CG . 25194 1 1276 . 1 1 110 110 LEU CD1 C 13 24.762 0.20 . 1 . . . . 206 Leu CD1 . 25194 1 1277 . 1 1 110 110 LEU CD2 C 13 24.878 0.20 . 1 . . . . 206 Leu CD2 . 25194 1 1278 . 1 1 110 110 LEU N N 15 128.898 0.30 . 1 . . . . 206 Leu N . 25194 1 1279 . 1 1 111 111 THR H H 1 7.723 0.05 . 1 . . . . 207 Thr H . 25194 1 1280 . 1 1 111 111 THR HA H 1 4.281 0.05 . 1 . . . . 207 Thr HA . 25194 1 1281 . 1 1 111 111 THR HB H 1 4.406 0.05 . 1 . . . . 207 Thr HB . 25194 1 1282 . 1 1 111 111 THR HG21 H 1 1.332 0.05 . 1 . . . . 207 Thr HG21 . 25194 1 1283 . 1 1 111 111 THR HG22 H 1 1.332 0.05 . 1 . . . . 207 Thr HG22 . 25194 1 1284 . 1 1 111 111 THR HG23 H 1 1.332 0.05 . 1 . . . . 207 Thr HG23 . 25194 1 1285 . 1 1 111 111 THR C C 13 175.482 0.20 . 1 . . . . 207 Thr C . 25194 1 1286 . 1 1 111 111 THR CA C 13 63.635 0.20 . 1 . . . . 207 Thr CA . 25194 1 1287 . 1 1 111 111 THR CB C 13 68.905 0.20 . 1 . . . . 207 Thr CB . 25194 1 1288 . 1 1 111 111 THR CG2 C 13 22.325 0.20 . 1 . . . . 207 Thr CG2 . 25194 1 1289 . 1 1 111 111 THR N N 15 103.433 0.30 . 1 . . . . 207 Thr N . 25194 1 1290 . 1 1 112 112 GLU H H 1 8.142 0.05 . 1 . . . . 208 Glu H . 25194 1 1291 . 1 1 112 112 GLU HA H 1 4.598 0.05 . 1 . . . . 208 Glu HA . 25194 1 1292 . 1 1 112 112 GLU HB2 H 1 2.224 0.05 . 1 . . . . 208 Glu HB2 . 25194 1 1293 . 1 1 112 112 GLU HB3 H 1 2.224 0.05 . 1 . . . . 208 Glu HB3 . 25194 1 1294 . 1 1 112 112 GLU HG2 H 1 2.396 0.05 . 1 . . . . 208 Glu HG2 . 25194 1 1295 . 1 1 112 112 GLU HG3 H 1 2.320 0.05 . 1 . . . . 208 Glu HG3 . 25194 1 1296 . 1 1 112 112 GLU C C 13 176.421 0.20 . 1 . . . . 208 Glu C . 25194 1 1297 . 1 1 112 112 GLU CA C 13 57.917 0.20 . 1 . . . . 208 Glu CA . 25194 1 1298 . 1 1 112 112 GLU CB C 13 32.146 0.20 . 1 . . . . 208 Glu CB . 25194 1 1299 . 1 1 112 112 GLU CG C 13 36.553 0.20 . 1 . . . . 208 Glu CG . 25194 1 1300 . 1 1 112 112 GLU N N 15 120.855 0.30 . 1 . . . . 208 Glu N . 25194 1 1301 . 1 1 113 113 ALA H H 1 8.501 0.05 . 1 . . . . 209 Ala H . 25194 1 1302 . 1 1 113 113 ALA HA H 1 5.136 0.05 . 1 . . . . 209 Ala HA . 25194 1 1303 . 1 1 113 113 ALA HB1 H 1 1.357 0.05 . 1 . . . . 209 Ala HB1 . 25194 1 1304 . 1 1 113 113 ALA HB2 H 1 1.357 0.05 . 1 . . . . 209 Ala HB2 . 25194 1 1305 . 1 1 113 113 ALA HB3 H 1 1.357 0.05 . 1 . . . . 209 Ala HB3 . 25194 1 1306 . 1 1 113 113 ALA C C 13 174.220 0.20 . 1 . . . . 209 Ala C . 25194 1 1307 . 1 1 113 113 ALA CA C 13 52.087 0.20 . 1 . . . . 209 Ala CA . 25194 1 1308 . 1 1 113 113 ALA CB C 13 23.267 0.20 . 1 . . . . 209 Ala CB . 25194 1 1309 . 1 1 113 113 ALA N N 15 121.353 0.30 . 1 . . . . 209 Ala N . 25194 1 1310 . 1 1 114 114 PHE H H 1 8.288 0.05 . 1 . . . . 210 Phe H . 25194 1 1311 . 1 1 114 114 PHE HA H 1 4.540 0.05 . 1 . . . . 210 Phe HA . 25194 1 1312 . 1 1 114 114 PHE HB2 H 1 3.044 0.05 . 2 . . . . 210 Phe HB2 . 25194 1 1313 . 1 1 114 114 PHE HB3 H 1 3.259 0.05 . 2 . . . . 210 Phe HB3 . 25194 1 1314 . 1 1 114 114 PHE HD1 H 1 6.697 0.05 . 3 . . . . 210 Phe HD1 . 25194 1 1315 . 1 1 114 114 PHE HD2 H 1 6.697 0.05 . 3 . . . . 210 Phe HD2 . 25194 1 1316 . 1 1 114 114 PHE HE1 H 1 5.876 0.05 . 3 . . . . 210 Phe HE1 . 25194 1 1317 . 1 1 114 114 PHE HE2 H 1 5.876 0.05 . 3 . . . . 210 Phe HE2 . 25194 1 1318 . 1 1 114 114 PHE C C 13 171.323 0.20 . 1 . . . . 210 Phe C . 25194 1 1319 . 1 1 114 114 PHE CA C 13 56.985 0.20 . 1 . . . . 210 Phe CA . 25194 1 1320 . 1 1 114 114 PHE CB C 13 38.983 0.20 . 1 . . . . 210 Phe CB . 25194 1 1321 . 1 1 114 114 PHE CD1 C 13 132.431 0.20 . 3 . . . . 210 Phe CD1 . 25194 1 1322 . 1 1 114 114 PHE CD2 C 13 132.431 0.20 . 3 . . . . 210 Phe CD2 . 25194 1 1323 . 1 1 114 114 PHE CE1 C 13 129.929 0.20 . 3 . . . . 210 Phe CE1 . 25194 1 1324 . 1 1 114 114 PHE CE2 C 13 129.929 0.20 . 3 . . . . 210 Phe CE2 . 25194 1 1325 . 1 1 114 114 PHE N N 15 112.126 0.30 . 1 . . . . 210 Phe N . 25194 1 1326 . 1 1 115 115 ALA H H 1 9.305 0.05 . 1 . . . . 211 Ala H . 25194 1 1327 . 1 1 115 115 ALA HA H 1 5.514 0.05 . 1 . . . . 211 Ala HA . 25194 1 1328 . 1 1 115 115 ALA HB1 H 1 1.120 0.05 . 1 . . . . 211 Ala HB1 . 25194 1 1329 . 1 1 115 115 ALA HB2 H 1 1.120 0.05 . 1 . . . . 211 Ala HB2 . 25194 1 1330 . 1 1 115 115 ALA HB3 H 1 1.120 0.05 . 1 . . . . 211 Ala HB3 . 25194 1 1331 . 1 1 115 115 ALA C C 13 175.804 0.20 . 1 . . . . 211 Ala C . 25194 1 1332 . 1 1 115 115 ALA CA C 13 49.561 0.20 . 1 . . . . 211 Ala CA . 25194 1 1333 . 1 1 115 115 ALA CB C 13 22.384 0.20 . 1 . . . . 211 Ala CB . 25194 1 1334 . 1 1 115 115 ALA N N 15 121.508 0.30 . 1 . . . . 211 Ala N . 25194 1 1335 . 1 1 116 116 VAL H H 1 9.497 0.05 . 1 . . . . 212 Val H . 25194 1 1336 . 1 1 116 116 VAL HA H 1 5.073 0.05 . 1 . . . . 212 Val HA . 25194 1 1337 . 1 1 116 116 VAL HB H 1 1.870 0.05 . 1 . . . . 212 Val HB . 25194 1 1338 . 1 1 116 116 VAL HG11 H 1 0.904 0.05 . 1 . . . . 212 Val HG11 . 25194 1 1339 . 1 1 116 116 VAL HG12 H 1 0.904 0.05 . 1 . . . . 212 Val HG12 . 25194 1 1340 . 1 1 116 116 VAL HG13 H 1 0.904 0.05 . 1 . . . . 212 Val HG13 . 25194 1 1341 . 1 1 116 116 VAL HG21 H 1 0.904 0.05 . 1 . . . . 212 Val HG21 . 25194 1 1342 . 1 1 116 116 VAL HG22 H 1 0.904 0.05 . 1 . . . . 212 Val HG22 . 25194 1 1343 . 1 1 116 116 VAL HG23 H 1 0.904 0.05 . 1 . . . . 212 Val HG23 . 25194 1 1344 . 1 1 116 116 VAL C C 13 173.550 0.20 . 1 . . . . 212 Val C . 25194 1 1345 . 1 1 116 116 VAL CA C 13 58.770 0.20 . 1 . . . . 212 Val CA . 25194 1 1346 . 1 1 116 116 VAL CB C 13 35.217 0.20 . 1 . . . . 212 Val CB . 25194 1 1347 . 1 1 116 116 VAL CG1 C 13 19.934 0.20 . 1 . . . . 212 Val CG1 . 25194 1 1348 . 1 1 116 116 VAL CG2 C 13 19.934 0.20 . 1 . . . . 212 Val CG2 . 25194 1 1349 . 1 1 116 116 VAL N N 15 121.647 0.30 . 1 . . . . 212 Val N . 25194 1 1350 . 1 1 117 117 GLU H H 1 8.821 0.05 . 1 . . . . 213 Glu H . 25194 1 1351 . 1 1 117 117 GLU HA H 1 3.490 0.05 . 1 . . . . 213 Glu HA . 25194 1 1352 . 1 1 117 117 GLU HB2 H 1 1.444 0.05 . 2 . . . . 213 Glu HB2 . 25194 1 1353 . 1 1 117 117 GLU HB3 H 1 1.921 0.05 . 2 . . . . 213 Glu HB3 . 25194 1 1354 . 1 1 117 117 GLU HG2 H 1 0.758 0.05 . 2 . . . . 213 Glu HG2 . 25194 1 1355 . 1 1 117 117 GLU HG3 H 1 1.526 0.05 . 2 . . . . 213 Glu HG3 . 25194 1 1356 . 1 1 117 117 GLU C C 13 174.114 0.20 . 1 . . . . 213 Glu C . 25194 1 1357 . 1 1 117 117 GLU CA C 13 55.808 0.20 . 1 . . . . 213 Glu CA . 25194 1 1358 . 1 1 117 117 GLU CB C 13 31.387 0.20 . 1 . . . . 213 Glu CB . 25194 1 1359 . 1 1 117 117 GLU CG C 13 34.932 0.20 . 1 . . . . 213 Glu CG . 25194 1 1360 . 1 1 117 117 GLU N N 15 131.965 0.30 . 1 . . . . 213 Glu N . 25194 1 1361 . 1 1 118 118 ILE H H 1 8.658 0.05 . 1 . . . . 214 Ile H . 25194 1 1362 . 1 1 118 118 ILE HA H 1 4.315 0.05 . 1 . . . . 214 Ile HA . 25194 1 1363 . 1 1 118 118 ILE HB H 1 1.301 0.05 . 1 . . . . 214 Ile HB . 25194 1 1364 . 1 1 118 118 ILE HG12 H 1 1.098 0.05 . 2 . . . . 214 Ile HG12 . 25194 1 1365 . 1 1 118 118 ILE HG13 H 1 0.224 0.05 . 2 . . . . 214 Ile HG13 . 25194 1 1366 . 1 1 118 118 ILE HG21 H 1 -0.852 0.05 . 1 . . . . 214 Ile HG21 . 25194 1 1367 . 1 1 118 118 ILE HG22 H 1 -0.852 0.05 . 1 . . . . 214 Ile HG22 . 25194 1 1368 . 1 1 118 118 ILE HG23 H 1 -0.852 0.05 . 1 . . . . 214 Ile HG23 . 25194 1 1369 . 1 1 118 118 ILE HD11 H 1 0.052 0.05 . 1 . . . . 214 Ile HD11 . 25194 1 1370 . 1 1 118 118 ILE HD12 H 1 0.052 0.05 . 1 . . . . 214 Ile HD12 . 25194 1 1371 . 1 1 118 118 ILE HD13 H 1 0.052 0.05 . 1 . . . . 214 Ile HD13 . 25194 1 1372 . 1 1 118 118 ILE C C 13 176.470 0.20 . 1 . . . . 214 Ile C . 25194 1 1373 . 1 1 118 118 ILE CA C 13 56.817 0.20 . 1 . . . . 214 Ile CA . 25194 1 1374 . 1 1 118 118 ILE CB C 13 36.760 0.20 . 1 . . . . 214 Ile CB . 25194 1 1375 . 1 1 118 118 ILE CG1 C 13 25.068 0.20 . 1 . . . . 214 Ile CG1 . 25194 1 1376 . 1 1 118 118 ILE CG2 C 13 14.984 0.20 . 1 . . . . 214 Ile CG2 . 25194 1 1377 . 1 1 118 118 ILE CD1 C 13 11.448 0.20 . 1 . . . . 214 Ile CD1 . 25194 1 1378 . 1 1 118 118 ILE N N 15 128.464 0.30 . 1 . . . . 214 Ile N . 25194 1 1379 . 1 1 119 119 ASN H H 1 9.357 0.05 . 1 . . . . 215 Asn H . 25194 1 1380 . 1 1 119 119 ASN HA H 1 4.353 0.05 . 1 . . . . 215 Asn HA . 25194 1 1381 . 1 1 119 119 ASN HB2 H 1 2.889 0.05 . 1 . . . . 215 Asn HB2 . 25194 1 1382 . 1 1 119 119 ASN HB3 H 1 2.889 0.05 . 1 . . . . 215 Asn HB3 . 25194 1 1383 . 1 1 119 119 ASN HD21 H 1 7.868 0.05 . 1 . . . . 215 Asn HD21 . 25194 1 1384 . 1 1 119 119 ASN HD22 H 1 7.080 0.05 . 1 . . . . 215 Asn HD22 . 25194 1 1385 . 1 1 119 119 ASN C C 13 174.825 0.20 . 1 . . . . 215 Asn C . 25194 1 1386 . 1 1 119 119 ASN CA C 13 54.364 0.20 . 1 . . . . 215 Asn CA . 25194 1 1387 . 1 1 119 119 ASN CB C 13 35.914 0.20 . 1 . . . . 215 Asn CB . 25194 1 1388 . 1 1 119 119 ASN N N 15 127.962 0.30 . 1 . . . . 215 Asn N . 25194 1 1389 . 1 1 119 119 ASN ND2 N 15 111.809 0.30 . 1 . . . . 215 Asn ND2 . 25194 1 1390 . 1 1 120 120 ASP H H 1 8.678 0.05 . 1 . . . . 216 Asp H . 25194 1 1391 . 1 1 120 120 ASP HA H 1 4.090 0.05 . 1 . . . . 216 Asp HA . 25194 1 1392 . 1 1 120 120 ASP HB2 H 1 2.859 0.05 . 1 . . . . 216 Asp HB2 . 25194 1 1393 . 1 1 120 120 ASP HB3 H 1 2.859 0.05 . 1 . . . . 216 Asp HB3 . 25194 1 1394 . 1 1 120 120 ASP C C 13 174.251 0.20 . 1 . . . . 216 Asp C . 25194 1 1395 . 1 1 120 120 ASP CA C 13 56.165 0.20 . 1 . . . . 216 Asp CA . 25194 1 1396 . 1 1 120 120 ASP CB C 13 39.990 0.20 . 1 . . . . 216 Asp CB . 25194 1 1397 . 1 1 120 120 ASP N N 15 110.567 0.30 . 1 . . . . 216 Asp N . 25194 1 1398 . 1 1 121 121 ASP H H 1 7.567 0.05 . 1 . . . . 217 Asp H . 25194 1 1399 . 1 1 121 121 ASP HA H 1 4.940 0.05 . 1 . . . . 217 Asp HA . 25194 1 1400 . 1 1 121 121 ASP HB2 H 1 2.426 0.05 . 2 . . . . 217 Asp HB2 . 25194 1 1401 . 1 1 121 121 ASP HB3 H 1 2.398 0.05 . 2 . . . . 217 Asp HB3 . 25194 1 1402 . 1 1 121 121 ASP C C 13 174.815 0.20 . 1 . . . . 217 Asp C . 25194 1 1403 . 1 1 121 121 ASP CA C 13 52.818 0.20 . 1 . . . . 217 Asp CA . 25194 1 1404 . 1 1 121 121 ASP CB C 13 44.838 0.20 . 1 . . . . 217 Asp CB . 25194 1 1405 . 1 1 121 121 ASP N N 15 119.697 0.30 . 1 . . . . 217 Asp N . 25194 1 1406 . 1 1 122 122 PHE H H 1 8.890 0.05 . 1 . . . . 218 Phe H . 25194 1 1407 . 1 1 122 122 PHE HA H 1 4.211 0.05 . 1 . . . . 218 Phe HA . 25194 1 1408 . 1 1 122 122 PHE HB2 H 1 3.070 0.05 . 2 . . . . 218 Phe HB2 . 25194 1 1409 . 1 1 122 122 PHE HB3 H 1 2.379 0.05 . 2 . . . . 218 Phe HB3 . 25194 1 1410 . 1 1 122 122 PHE HD1 H 1 6.930 0.05 . 3 . . . . 218 Phe HD1 . 25194 1 1411 . 1 1 122 122 PHE HD2 H 1 6.930 0.05 . 3 . . . . 218 Phe HD2 . 25194 1 1412 . 1 1 122 122 PHE HE1 H 1 7.049 0.05 . 3 . . . . 218 Phe HE1 . 25194 1 1413 . 1 1 122 122 PHE HE2 H 1 7.049 0.05 . 3 . . . . 218 Phe HE2 . 25194 1 1414 . 1 1 122 122 PHE HZ H 1 6.798 0.05 . 1 . . . . 218 Phe HZ . 25194 1 1415 . 1 1 122 122 PHE C C 13 174.998 0.20 . 1 . . . . 218 Phe C . 25194 1 1416 . 1 1 122 122 PHE CA C 13 60.897 0.20 . 1 . . . . 218 Phe CA . 25194 1 1417 . 1 1 122 122 PHE CB C 13 40.110 0.20 . 1 . . . . 218 Phe CB . 25194 1 1418 . 1 1 122 122 PHE CD1 C 13 131.134 0.20 . 3 . . . . 218 Phe CD1 . 25194 1 1419 . 1 1 122 122 PHE CD2 C 13 131.134 0.20 . 3 . . . . 218 Phe CD2 . 25194 1 1420 . 1 1 122 122 PHE CE1 C 13 131.658 0.20 . 3 . . . . 218 Phe CE1 . 25194 1 1421 . 1 1 122 122 PHE CE2 C 13 131.658 0.20 . 3 . . . . 218 Phe CE2 . 25194 1 1422 . 1 1 122 122 PHE CZ C 13 128.774 0.20 . 1 . . . . 218 Phe CZ . 25194 1 1423 . 1 1 122 122 PHE N N 15 122.236 0.30 . 1 . . . . 218 Phe N . 25194 1 1424 . 1 1 123 123 LYS H H 1 9.037 0.05 . 1 . . . . 219 Lys H . 25194 1 1425 . 1 1 123 123 LYS HA H 1 5.051 0.05 . 1 . . . . 219 Lys HA . 25194 1 1426 . 1 1 123 123 LYS HB2 H 1 1.595 0.05 . 2 . . . . 219 Lys HB2 . 25194 1 1427 . 1 1 123 123 LYS HB3 H 1 1.935 0.05 . 2 . . . . 219 Lys HB3 . 25194 1 1428 . 1 1 123 123 LYS HG2 H 1 1.071 0.05 . 1 . . . . 219 Lys HG2 . 25194 1 1429 . 1 1 123 123 LYS HG3 H 1 1.071 0.05 . 1 . . . . 219 Lys HG3 . 25194 1 1430 . 1 1 123 123 LYS C C 13 176.783 0.20 . 1 . . . . 219 Lys C . 25194 1 1431 . 1 1 123 123 LYS CA C 13 51.894 0.20 . 1 . . . . 219 Lys CA . 25194 1 1432 . 1 1 123 123 LYS CB C 13 34.116 0.20 . 1 . . . . 219 Lys CB . 25194 1 1433 . 1 1 123 123 LYS CG C 13 24.439 0.20 . 1 . . . . 219 Lys CG . 25194 1 1434 . 1 1 123 123 LYS N N 15 123.312 0.30 . 1 . . . . 219 Lys N . 25194 1 1435 . 1 1 124 124 LEU H H 1 8.069 0.05 . 1 . . . . 220 Leu H . 25194 1 1436 . 1 1 124 124 LEU HA H 1 4.073 0.05 . 1 . . . . 220 Leu HA . 25194 1 1437 . 1 1 124 124 LEU HB2 H 1 1.094 0.05 . 1 . . . . 220 Leu HB2 . 25194 1 1438 . 1 1 124 124 LEU HB3 H 1 1.094 0.05 . 1 . . . . 220 Leu HB3 . 25194 1 1439 . 1 1 124 124 LEU HG H 1 1.322 0.05 . 1 . . . . 220 Leu HG . 25194 1 1440 . 1 1 124 124 LEU HD11 H 1 0.814 0.05 . 2 . . . . 220 Leu HD11 . 25194 1 1441 . 1 1 124 124 LEU HD12 H 1 0.814 0.05 . 2 . . . . 220 Leu HD12 . 25194 1 1442 . 1 1 124 124 LEU HD13 H 1 0.814 0.05 . 2 . . . . 220 Leu HD13 . 25194 1 1443 . 1 1 124 124 LEU HD21 H 1 0.725 0.05 . 2 . . . . 220 Leu HD21 . 25194 1 1444 . 1 1 124 124 LEU HD22 H 1 0.725 0.05 . 2 . . . . 220 Leu HD22 . 25194 1 1445 . 1 1 124 124 LEU HD23 H 1 0.725 0.05 . 2 . . . . 220 Leu HD23 . 25194 1 1446 . 1 1 124 124 LEU C C 13 175.071 0.20 . 1 . . . . 220 Leu C . 25194 1 1447 . 1 1 124 124 LEU CA C 13 55.487 0.20 . 1 . . . . 220 Leu CA . 25194 1 1448 . 1 1 124 124 LEU CB C 13 42.775 0.20 . 1 . . . . 220 Leu CB . 25194 1 1449 . 1 1 124 124 LEU CG C 13 27.051 0.20 . 1 . . . . 220 Leu CG . 25194 1 1450 . 1 1 124 124 LEU CD1 C 13 25.808 0.20 . 1 . . . . 220 Leu CD1 . 25194 1 1451 . 1 1 124 124 LEU CD2 C 13 23.586 0.20 . 1 . . . . 220 Leu CD2 . 25194 1 1452 . 1 1 124 124 LEU N N 15 121.906 0.30 . 1 . . . . 220 Leu N . 25194 1 1453 . 1 1 125 125 ALA H H 1 9.337 0.05 . 1 . . . . 221 Ala H . 25194 1 1454 . 1 1 125 125 ALA HA H 1 5.591 0.05 . 1 . . . . 221 Ala HA . 25194 1 1455 . 1 1 125 125 ALA HB1 H 1 0.517 0.05 . 1 . . . . 221 Ala HB1 . 25194 1 1456 . 1 1 125 125 ALA HB2 H 1 0.517 0.05 . 1 . . . . 221 Ala HB2 . 25194 1 1457 . 1 1 125 125 ALA HB3 H 1 0.517 0.05 . 1 . . . . 221 Ala HB3 . 25194 1 1458 . 1 1 125 125 ALA C C 13 175.655 0.20 . 1 . . . . 221 Ala C . 25194 1 1459 . 1 1 125 125 ALA CA C 13 50.004 0.20 . 1 . . . . 221 Ala CA . 25194 1 1460 . 1 1 125 125 ALA CB C 13 20.147 0.20 . 1 . . . . 221 Ala CB . 25194 1 1461 . 1 1 125 125 ALA N N 15 134.144 0.30 . 1 . . . . 221 Ala N . 25194 1 1462 . 1 1 126 126 THR H H 1 7.886 0.05 . 1 . . . . 222 Thr H . 25194 1 1463 . 1 1 126 126 THR HA H 1 4.979 0.05 . 1 . . . . 222 Thr HA . 25194 1 1464 . 1 1 126 126 THR HB H 1 4.204 0.05 . 1 . . . . 222 Thr HB . 25194 1 1465 . 1 1 126 126 THR HG21 H 1 1.267 0.05 . 1 . . . . 222 Thr HG21 . 25194 1 1466 . 1 1 126 126 THR HG22 H 1 1.267 0.05 . 1 . . . . 222 Thr HG22 . 25194 1 1467 . 1 1 126 126 THR HG23 H 1 1.267 0.05 . 1 . . . . 222 Thr HG23 . 25194 1 1468 . 1 1 126 126 THR C C 13 174.033 0.20 . 1 . . . . 222 Thr C . 25194 1 1469 . 1 1 126 126 THR CA C 13 59.756 0.20 . 1 . . . . 222 Thr CA . 25194 1 1470 . 1 1 126 126 THR CB C 13 71.527 0.20 . 1 . . . . 222 Thr CB . 25194 1 1471 . 1 1 126 126 THR CG2 C 13 21.951 0.20 . 1 . . . . 222 Thr CG2 . 25194 1 1472 . 1 1 126 126 THR N N 15 110.774 0.30 . 1 . . . . 222 Thr N . 25194 1 1473 . 1 1 127 127 LYS H H 1 8.028 0.05 . 1 . . . . 223 Lys H . 25194 1 1474 . 1 1 127 127 LYS HA H 1 3.651 0.05 . 1 . . . . 223 Lys HA . 25194 1 1475 . 1 1 127 127 LYS HB2 H 1 1.562 0.05 . 2 . . . . 223 Lys HB2 . 25194 1 1476 . 1 1 127 127 LYS HB3 H 1 1.664 0.05 . 2 . . . . 223 Lys HB3 . 25194 1 1477 . 1 1 127 127 LYS HG2 H 1 1.159 0.05 . 1 . . . . 223 Lys HG2 . 25194 1 1478 . 1 1 127 127 LYS HG3 H 1 1.000 0.05 . 1 . . . . 223 Lys HG3 . 25194 1 1479 . 1 1 127 127 LYS HE2 H 1 2.908 0.05 . 1 . . . . 223 Lys HE2 . 25194 1 1480 . 1 1 127 127 LYS HE3 H 1 2.908 0.05 . 1 . . . . 223 Lys HE3 . 25194 1 1481 . 1 1 127 127 LYS C C 13 176.904 0.20 . 1 . . . . 223 Lys C . 25194 1 1482 . 1 1 127 127 LYS CA C 13 57.784 0.20 . 1 . . . . 223 Lys CA . 25194 1 1483 . 1 1 127 127 LYS CB C 13 32.360 0.20 . 1 . . . . 223 Lys CB . 25194 1 1484 . 1 1 127 127 LYS CG C 13 24.597 0.20 . 1 . . . . 223 Lys CG . 25194 1 1485 . 1 1 127 127 LYS CE C 13 41.754 0.20 . 1 . . . . 223 Lys CE . 25194 1 1486 . 1 1 127 127 LYS N N 15 126.095 0.30 . 1 . . . . 223 Lys N . 25194 1 1487 . 1 1 128 128 VAL H H 1 8.930 0.05 . 1 . . . . 224 Val H . 25194 1 1488 . 1 1 128 128 VAL HA H 1 4.128 0.05 . 1 . . . . 224 Val HA . 25194 1 1489 . 1 1 128 128 VAL HB H 1 2.022 0.05 . 1 . . . . 224 Val HB . 25194 1 1490 . 1 1 128 128 VAL HG11 H 1 0.928 0.05 . 1 . . . . 224 Val HG11 . 25194 1 1491 . 1 1 128 128 VAL HG12 H 1 0.928 0.05 . 1 . . . . 224 Val HG12 . 25194 1 1492 . 1 1 128 128 VAL HG13 H 1 0.928 0.05 . 1 . . . . 224 Val HG13 . 25194 1 1493 . 1 1 128 128 VAL C C 13 176.351 0.20 . 1 . . . . 224 Val C . 25194 1 1494 . 1 1 128 128 VAL CA C 13 62.492 0.20 . 1 . . . . 224 Val CA . 25194 1 1495 . 1 1 128 128 VAL CB C 13 32.747 0.20 . 1 . . . . 224 Val CB . 25194 1 1496 . 1 1 128 128 VAL CG1 C 13 21.376 0.20 . 1 . . . . 224 Val CG1 . 25194 1 1497 . 1 1 128 128 VAL N N 15 127.045 0.30 . 1 . . . . 224 Val N . 25194 1 1498 . 1 1 129 129 GLY H H 1 8.454 0.05 . 1 . . . . 225 Gly H . 25194 1 1499 . 1 1 129 129 GLY HA2 H 1 3.981 0.05 . 1 . . . . 225 Gly HA2 . 25194 1 1500 . 1 1 129 129 GLY HA3 H 1 3.981 0.05 . 1 . . . . 225 Gly HA3 . 25194 1 1501 . 1 1 129 129 GLY C C 13 172.839 0.20 . 1 . . . . 225 Gly C . 25194 1 1502 . 1 1 129 129 GLY CA C 13 45.034 0.20 . 1 . . . . 225 Gly CA . 25194 1 1503 . 1 1 129 129 GLY N N 15 113.708 0.30 . 1 . . . . 225 Gly N . 25194 1 1504 . 1 1 130 130 ASN H H 1 8.003 0.05 . 1 . . . . 226 Asn H . 25194 1 1505 . 1 1 130 130 ASN HA H 1 4.498 0.05 . 1 . . . . 226 Asn HA . 25194 1 1506 . 1 1 130 130 ASN HB2 H 1 2.802 0.05 . 2 . . . . 226 Asn HB2 . 25194 1 1507 . 1 1 130 130 ASN HB3 H 1 2.678 0.05 . 2 . . . . 226 Asn HB3 . 25194 1 1508 . 1 1 130 130 ASN C C 13 179.735 0.20 . 1 . . . . 226 Asn C . 25194 1 1509 . 1 1 130 130 ASN CA C 13 54.730 0.20 . 1 . . . . 226 Asn CA . 25194 1 1510 . 1 1 130 130 ASN CB C 13 40.389 0.20 . 1 . . . . 226 Asn CB . 25194 1 1511 . 1 1 130 130 ASN N N 15 124.156 0.30 . 1 . . . . 226 Asn N . 25194 1 stop_ save_