data_25485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25485 _Entry.Title ; NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-11 _Entry.Accession_date 2015-02-11 _Entry.Last_release_date 2015-11-09 _Entry.Original_release_date 2015-11-09 _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 Yan Fulcher . G. . 25485 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' . 25485 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hydrolase . 25485 metalloenzyme . 25485 uncomplexed . 25485 zymogen . 25485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1003 25485 '15N chemical shifts' 237 25485 '1H chemical shifts' 1506 25485 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-11-09 . original BMRB . 25485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1mmp 'Active, inhibitor-bound crystal structure, 2.3A' 25485 PDB 1mmq 'Active, inhibitor-bound crystal structure, 1.9A' 25485 PDB 1mmr 'Active, inhibitor-bound crystal structure, 2.4A' 25485 PDB 2MZE 'BMRM Entry Tracking System' 25485 PDB 2y6c 'Active, inhibitor-bound crystal structure, 1.7A' 25485 PDB 2y6d 'Active, inhibitor-bound crystal structure, 1.6A' 25485 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26439767 _Citation.Full_citation . _Citation.Title ; Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 11 _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 2099 _Citation.Page_last 2110 _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 Stephen Prior . H. . 25485 1 2 Yan Fulcher . G. . 25485 1 3 Rama Koppisetti . K. . 25485 1 4 A. Jurkevich . . . 25485 1 5 Steven 'Van Doren' . R. . 25485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25485 _Assembly.ID 1 _Assembly.Name 'PRO Form of Human Matrilysin (proMMP-7)' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 entity_1 1 $proMMP-7(E195A) A . yes native no no . . . 25485 1 2 'CALCIUM ION_1' 2 $entity_CA B . no native no no . . . 25485 1 3 'CALCIUM ION_2' 2 $entity_CA C . no native no no . . . 25485 1 4 'ZINC ION_1' 3 $entity_ZN D . no native no no . . . 25485 1 5 'ZINC ION_2' 3 $entity_ZN E . no native no no . . . 25485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_proMMP-7(E195A) _Entity.Sf_category entity _Entity.Sf_framecode proMMP-7(E195A) _Entity.Entry_ID 25485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name proMMP-7(E195A) _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 ; PQEAGGMSELQWEQAQDYLK RFYLYDSETKNANSLEAKLK EMQKFFGLPITGMLNSRVIE IMQKPRCGVPDVAEYSLFPN SPKWTSKVVTYRIVSYTRDL PHITVDRLVSKALNMWGKEI PLHFRKVVWGTADIMIGFAR GAHGDSYPFDGPGNTLAHAF APGTGLGGDAHFDEDERWTD GSSLGINFLYAATHALGHSL GMGHSSDPNAVMYPTYGNGD PQNFKLSQDDIKGIQKLYGK RSNSRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 247 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation E195A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27589.332 _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 yes NCBI NP_002414.1 . "matrilysin preproprotein [Homo sapiens]" . . . . . . . . . . . . . . 25485 1 2 no BMRB 25488 . proMMP-7(E195A) . . . . . 100.00 248 100.00 100.00 0.00e+00 . . . . 25485 1 3 no BMRB 25489 . proMMP-7(E195A) . . . . . 100.00 248 100.00 100.00 0.00e+00 . . . . 25485 1 4 no PDB 1MMP . "Matrilysin Complexed With Carboxylate Inhibitor" . . . . . 68.83 170 99.41 99.41 2.08e-120 . . . . 25485 1 5 no PDB 1MMQ . "Matrilysin Complexed With Hydroxamate Inhibitor" . . . . . 68.83 170 99.41 99.41 2.08e-120 . . . . 25485 1 6 no PDB 1MMR . "Matrilysin Complexed With Sulfodiimine Inhibitor" . . . . . 68.83 170 99.41 99.41 2.08e-120 . . . . 25485 1 7 no PDB 2DDY . "Solution Structure Of Matrilysin (Mmp-7) Complexed To Constraint Conformational Sulfonamide Inhibitor" . . . . . 70.04 173 99.42 99.42 9.27e-123 . . . . 25485 1 8 no PDB 2MZE . "Nmr Solution Structure Of The Pro Form Of Human Matrilysin (prommp-7)" . . . . . 100.00 250 100.00 100.00 0.00e+00 . . . . 25485 1 9 no PDB 2Y6C . "The Discovery Of Mmp7 Inhibitors Exploiting A Novel Selectivity Trigger" . . . . . 66.40 165 99.39 99.39 6.65e-116 . . . . 25485 1 10 no PDB 2Y6D . "The Discovery Of Mmp7 Inhibitors Exploiting A Novel Selectivity Trigger" . . . . . 70.04 174 99.42 99.42 1.00e-122 . . . . 25485 1 11 no DBJ BAD96700 . "matrix metalloproteinase 7 preproprotein variant [Homo sapiens]" . . . . . 100.00 267 98.79 98.79 0.00e+00 . . . . 25485 1 12 no DBJ BAG56875 . "unnamed protein product [Homo sapiens]" . . . . . 59.11 192 97.26 97.26 6.73e-99 . . . . 25485 1 13 no DBJ BAI46673 . "matrix metallopeptidase 7 [synthetic construct]" . . . . . 100.00 267 99.19 99.19 0.00e+00 . . . . 25485 1 14 no EMBL CAA30678 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 267 99.60 99.60 0.00e+00 . . . . 25485 1 15 no EMBL CAA77942 . "PUMP [Homo sapiens]" . . . . . 100.00 267 99.60 99.60 0.00e+00 . . . . 25485 1 16 no GB AAC37543 . "matrilysin [Homo sapiens]" . . . . . 100.00 267 99.19 99.19 0.00e+00 . . . . 25485 1 17 no GB AAH03635 . "Matrix metallopeptidase 7 (matrilysin, uterine) [Homo sapiens]" . . . . . 100.00 267 99.19 99.19 0.00e+00 . . . . 25485 1 18 no GB AAV40839 . "matrix metalloproteinase 7 (matrilysin, uterine) [Homo sapiens]" . . . . . 100.00 267 99.60 99.60 0.00e+00 . . . . 25485 1 19 no GB AAX36381 . "matrix metalloproteinase 7 [synthetic construct]" . . . . . 100.00 267 99.19 99.19 0.00e+00 . . . . 25485 1 20 no GB AAX36443 . "matrix metalloproteinase 7 [synthetic construct]" . . . . . 100.00 267 99.19 99.19 0.00e+00 . . . . 25485 1 21 no REF NP_002414 . "matrilysin preproprotein [Homo sapiens]" . . . . . 100.00 267 99.60 99.60 0.00e+00 . . . . 25485 1 22 no REF XP_002822443 . "PREDICTED: matrilysin [Pongo abelii]" . . . . . 100.00 267 97.17 99.19 2.50e-179 . . . . 25485 1 23 no REF XP_003828431 . "PREDICTED: matrilysin [Pan paniscus]" . . . . . 100.00 267 98.79 99.60 0.00e+00 . . . . 25485 1 24 no REF XP_004052078 . "PREDICTED: matrilysin [Gorilla gorilla gorilla]" . . . . . 59.11 192 97.26 97.95 3.43e-99 . . . . 25485 1 25 no REF XP_508721 . "PREDICTED: matrilysin [Pan troglodytes]" . . . . . 100.00 267 97.98 99.19 1.13e-179 . . . . 25485 1 26 no SP P09237 . "RecName: Full=Matrilysin; AltName: Full=Matrin; AltName: Full=Matrix metalloproteinase-7; Short=MMP-7; AltName: Full=Pump-1 pro" . . . . . 100.00 267 99.60 99.60 0.00e+00 . . . . 25485 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PRO . 25485 1 2 2 GLN . 25485 1 3 3 GLU . 25485 1 4 4 ALA . 25485 1 5 5 GLY . 25485 1 6 6 GLY . 25485 1 7 7 MET . 25485 1 8 8 SER . 25485 1 9 9 GLU . 25485 1 10 10 LEU . 25485 1 11 11 GLN . 25485 1 12 12 TRP . 25485 1 13 13 GLU . 25485 1 14 14 GLN . 25485 1 15 15 ALA . 25485 1 16 16 GLN . 25485 1 17 17 ASP . 25485 1 18 18 TYR . 25485 1 19 19 LEU . 25485 1 20 20 LYS . 25485 1 21 21 ARG . 25485 1 22 22 PHE . 25485 1 23 23 TYR . 25485 1 24 24 LEU . 25485 1 25 25 TYR . 25485 1 26 26 ASP . 25485 1 27 27 SER . 25485 1 28 28 GLU . 25485 1 29 29 THR . 25485 1 30 30 LYS . 25485 1 31 31 ASN . 25485 1 32 32 ALA . 25485 1 33 33 ASN . 25485 1 34 34 SER . 25485 1 35 35 LEU . 25485 1 36 36 GLU . 25485 1 37 37 ALA . 25485 1 38 38 LYS . 25485 1 39 39 LEU . 25485 1 40 40 LYS . 25485 1 41 41 GLU . 25485 1 42 42 MET . 25485 1 43 43 GLN . 25485 1 44 44 LYS . 25485 1 45 45 PHE . 25485 1 46 46 PHE . 25485 1 47 47 GLY . 25485 1 48 48 LEU . 25485 1 49 49 PRO . 25485 1 50 50 ILE . 25485 1 51 51 THR . 25485 1 52 52 GLY . 25485 1 53 53 MET . 25485 1 54 54 LEU . 25485 1 55 55 ASN . 25485 1 56 56 SER . 25485 1 57 57 ARG . 25485 1 58 58 VAL . 25485 1 59 59 ILE . 25485 1 60 60 GLU . 25485 1 61 61 ILE . 25485 1 62 62 MET . 25485 1 63 63 GLN . 25485 1 64 64 LYS . 25485 1 65 65 PRO . 25485 1 66 66 ARG . 25485 1 67 67 CYS . 25485 1 68 68 GLY . 25485 1 69 69 VAL . 25485 1 70 70 PRO . 25485 1 71 71 ASP . 25485 1 72 72 VAL . 25485 1 73 73 ALA . 25485 1 74 74 GLU . 25485 1 75 75 TYR . 25485 1 76 76 SER . 25485 1 77 77 LEU . 25485 1 78 78 PHE . 25485 1 79 79 PRO . 25485 1 80 80 ASN . 25485 1 81 81 SER . 25485 1 82 82 PRO . 25485 1 83 83 LYS . 25485 1 84 84 TRP . 25485 1 85 85 THR . 25485 1 86 86 SER . 25485 1 87 87 LYS . 25485 1 88 88 VAL . 25485 1 89 89 VAL . 25485 1 90 90 THR . 25485 1 91 91 TYR . 25485 1 92 92 ARG . 25485 1 93 93 ILE . 25485 1 94 94 VAL . 25485 1 95 95 SER . 25485 1 96 96 TYR . 25485 1 97 97 THR . 25485 1 98 98 ARG . 25485 1 99 99 ASP . 25485 1 100 100 LEU . 25485 1 101 101 PRO . 25485 1 102 102 HIS . 25485 1 103 103 ILE . 25485 1 104 104 THR . 25485 1 105 105 VAL . 25485 1 106 106 ASP . 25485 1 107 107 ARG . 25485 1 108 108 LEU . 25485 1 109 109 VAL . 25485 1 110 110 SER . 25485 1 111 111 LYS . 25485 1 112 112 ALA . 25485 1 113 113 LEU . 25485 1 114 114 ASN . 25485 1 115 115 MET . 25485 1 116 116 TRP . 25485 1 117 117 GLY . 25485 1 118 118 LYS . 25485 1 119 119 GLU . 25485 1 120 120 ILE . 25485 1 121 121 PRO . 25485 1 122 122 LEU . 25485 1 123 123 HIS . 25485 1 124 124 PHE . 25485 1 125 125 ARG . 25485 1 126 126 LYS . 25485 1 127 127 VAL . 25485 1 128 128 VAL . 25485 1 129 129 TRP . 25485 1 130 130 GLY . 25485 1 131 131 THR . 25485 1 132 132 ALA . 25485 1 133 133 ASP . 25485 1 134 134 ILE . 25485 1 135 135 MET . 25485 1 136 136 ILE . 25485 1 137 137 GLY . 25485 1 138 138 PHE . 25485 1 139 139 ALA . 25485 1 140 140 ARG . 25485 1 141 141 GLY . 25485 1 142 142 ALA . 25485 1 143 143 HIS . 25485 1 144 144 GLY . 25485 1 145 145 ASP . 25485 1 146 146 SER . 25485 1 147 147 TYR . 25485 1 148 148 PRO . 25485 1 149 149 PHE . 25485 1 150 150 ASP . 25485 1 151 151 GLY . 25485 1 152 152 PRO . 25485 1 153 153 GLY . 25485 1 154 154 ASN . 25485 1 155 155 THR . 25485 1 156 156 LEU . 25485 1 157 157 ALA . 25485 1 158 158 HIS . 25485 1 159 159 ALA . 25485 1 160 160 PHE . 25485 1 161 161 ALA . 25485 1 162 162 PRO . 25485 1 163 163 GLY . 25485 1 164 164 THR . 25485 1 165 165 GLY . 25485 1 166 166 LEU . 25485 1 167 167 GLY . 25485 1 168 168 GLY . 25485 1 169 169 ASP . 25485 1 170 170 ALA . 25485 1 171 171 HIS . 25485 1 172 172 PHE . 25485 1 173 173 ASP . 25485 1 174 174 GLU . 25485 1 175 175 ASP . 25485 1 176 176 GLU . 25485 1 177 177 ARG . 25485 1 178 178 TRP . 25485 1 179 179 THR . 25485 1 180 180 ASP . 25485 1 181 181 GLY . 25485 1 182 182 SER . 25485 1 183 183 SER . 25485 1 184 184 LEU . 25485 1 185 185 GLY . 25485 1 186 186 ILE . 25485 1 187 187 ASN . 25485 1 188 188 PHE . 25485 1 189 189 LEU . 25485 1 190 190 TYR . 25485 1 191 191 ALA . 25485 1 192 192 ALA . 25485 1 193 193 THR . 25485 1 194 194 HIS . 25485 1 195 195 ALA . 25485 1 196 196 LEU . 25485 1 197 197 GLY . 25485 1 198 198 HIS . 25485 1 199 199 SER . 25485 1 200 200 LEU . 25485 1 201 201 GLY . 25485 1 202 202 MET . 25485 1 203 203 GLY . 25485 1 204 204 HIS . 25485 1 205 205 SER . 25485 1 206 206 SER . 25485 1 207 207 ASP . 25485 1 208 208 PRO . 25485 1 209 209 ASN . 25485 1 210 210 ALA . 25485 1 211 211 VAL . 25485 1 212 212 MET . 25485 1 213 213 TYR . 25485 1 214 214 PRO . 25485 1 215 215 THR . 25485 1 216 216 TYR . 25485 1 217 217 GLY . 25485 1 218 218 ASN . 25485 1 219 219 GLY . 25485 1 220 220 ASP . 25485 1 221 221 PRO . 25485 1 222 222 GLN . 25485 1 223 223 ASN . 25485 1 224 224 PHE . 25485 1 225 225 LYS . 25485 1 226 226 LEU . 25485 1 227 227 SER . 25485 1 228 228 GLN . 25485 1 229 229 ASP . 25485 1 230 230 ASP . 25485 1 231 231 ILE . 25485 1 232 232 LYS . 25485 1 233 233 GLY . 25485 1 234 234 ILE . 25485 1 235 235 GLN . 25485 1 236 236 LYS . 25485 1 237 237 LEU . 25485 1 238 238 TYR . 25485 1 239 239 GLY . 25485 1 240 240 LYS . 25485 1 241 241 ARG . 25485 1 242 242 SER . 25485 1 243 243 ASN . 25485 1 244 244 SER . 25485 1 245 245 ARG . 25485 1 246 246 LYS . 25485 1 247 247 LYS . 25485 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 . PRO 1 1 25485 1 . GLN 2 2 25485 1 . GLU 3 3 25485 1 . ALA 4 4 25485 1 . GLY 5 5 25485 1 . GLY 6 6 25485 1 . MET 7 7 25485 1 . SER 8 8 25485 1 . GLU 9 9 25485 1 . LEU 10 10 25485 1 . GLN 11 11 25485 1 . TRP 12 12 25485 1 . GLU 13 13 25485 1 . GLN 14 14 25485 1 . ALA 15 15 25485 1 . GLN 16 16 25485 1 . ASP 17 17 25485 1 . TYR 18 18 25485 1 . LEU 19 19 25485 1 . LYS 20 20 25485 1 . ARG 21 21 25485 1 . PHE 22 22 25485 1 . TYR 23 23 25485 1 . LEU 24 24 25485 1 . TYR 25 25 25485 1 . ASP 26 26 25485 1 . SER 27 27 25485 1 . GLU 28 28 25485 1 . THR 29 29 25485 1 . LYS 30 30 25485 1 . ASN 31 31 25485 1 . ALA 32 32 25485 1 . ASN 33 33 25485 1 . SER 34 34 25485 1 . LEU 35 35 25485 1 . GLU 36 36 25485 1 . ALA 37 37 25485 1 . LYS 38 38 25485 1 . LEU 39 39 25485 1 . LYS 40 40 25485 1 . GLU 41 41 25485 1 . MET 42 42 25485 1 . GLN 43 43 25485 1 . LYS 44 44 25485 1 . PHE 45 45 25485 1 . PHE 46 46 25485 1 . GLY 47 47 25485 1 . LEU 48 48 25485 1 . PRO 49 49 25485 1 . ILE 50 50 25485 1 . THR 51 51 25485 1 . GLY 52 52 25485 1 . MET 53 53 25485 1 . LEU 54 54 25485 1 . ASN 55 55 25485 1 . SER 56 56 25485 1 . ARG 57 57 25485 1 . VAL 58 58 25485 1 . ILE 59 59 25485 1 . GLU 60 60 25485 1 . ILE 61 61 25485 1 . MET 62 62 25485 1 . GLN 63 63 25485 1 . LYS 64 64 25485 1 . PRO 65 65 25485 1 . ARG 66 66 25485 1 . CYS 67 67 25485 1 . GLY 68 68 25485 1 . VAL 69 69 25485 1 . PRO 70 70 25485 1 . ASP 71 71 25485 1 . VAL 72 72 25485 1 . ALA 73 73 25485 1 . GLU 74 74 25485 1 . TYR 75 75 25485 1 . SER 76 76 25485 1 . LEU 77 77 25485 1 . PHE 78 78 25485 1 . PRO 79 79 25485 1 . ASN 80 80 25485 1 . SER 81 81 25485 1 . PRO 82 82 25485 1 . LYS 83 83 25485 1 . TRP 84 84 25485 1 . THR 85 85 25485 1 . SER 86 86 25485 1 . LYS 87 87 25485 1 . VAL 88 88 25485 1 . VAL 89 89 25485 1 . THR 90 90 25485 1 . TYR 91 91 25485 1 . ARG 92 92 25485 1 . ILE 93 93 25485 1 . VAL 94 94 25485 1 . SER 95 95 25485 1 . TYR 96 96 25485 1 . THR 97 97 25485 1 . ARG 98 98 25485 1 . ASP 99 99 25485 1 . LEU 100 100 25485 1 . PRO 101 101 25485 1 . HIS 102 102 25485 1 . ILE 103 103 25485 1 . THR 104 104 25485 1 . VAL 105 105 25485 1 . ASP 106 106 25485 1 . ARG 107 107 25485 1 . LEU 108 108 25485 1 . VAL 109 109 25485 1 . SER 110 110 25485 1 . LYS 111 111 25485 1 . ALA 112 112 25485 1 . LEU 113 113 25485 1 . ASN 114 114 25485 1 . MET 115 115 25485 1 . TRP 116 116 25485 1 . GLY 117 117 25485 1 . LYS 118 118 25485 1 . GLU 119 119 25485 1 . ILE 120 120 25485 1 . PRO 121 121 25485 1 . LEU 122 122 25485 1 . HIS 123 123 25485 1 . PHE 124 124 25485 1 . ARG 125 125 25485 1 . LYS 126 126 25485 1 . VAL 127 127 25485 1 . VAL 128 128 25485 1 . TRP 129 129 25485 1 . GLY 130 130 25485 1 . THR 131 131 25485 1 . ALA 132 132 25485 1 . ASP 133 133 25485 1 . ILE 134 134 25485 1 . MET 135 135 25485 1 . ILE 136 136 25485 1 . GLY 137 137 25485 1 . PHE 138 138 25485 1 . ALA 139 139 25485 1 . ARG 140 140 25485 1 . GLY 141 141 25485 1 . ALA 142 142 25485 1 . HIS 143 143 25485 1 . GLY 144 144 25485 1 . ASP 145 145 25485 1 . SER 146 146 25485 1 . TYR 147 147 25485 1 . PRO 148 148 25485 1 . PHE 149 149 25485 1 . ASP 150 150 25485 1 . GLY 151 151 25485 1 . PRO 152 152 25485 1 . GLY 153 153 25485 1 . ASN 154 154 25485 1 . THR 155 155 25485 1 . LEU 156 156 25485 1 . ALA 157 157 25485 1 . HIS 158 158 25485 1 . ALA 159 159 25485 1 . PHE 160 160 25485 1 . ALA 161 161 25485 1 . PRO 162 162 25485 1 . GLY 163 163 25485 1 . THR 164 164 25485 1 . GLY 165 165 25485 1 . LEU 166 166 25485 1 . GLY 167 167 25485 1 . GLY 168 168 25485 1 . ASP 169 169 25485 1 . ALA 170 170 25485 1 . HIS 171 171 25485 1 . PHE 172 172 25485 1 . ASP 173 173 25485 1 . GLU 174 174 25485 1 . ASP 175 175 25485 1 . GLU 176 176 25485 1 . ARG 177 177 25485 1 . TRP 178 178 25485 1 . THR 179 179 25485 1 . ASP 180 180 25485 1 . GLY 181 181 25485 1 . SER 182 182 25485 1 . SER 183 183 25485 1 . LEU 184 184 25485 1 . GLY 185 185 25485 1 . ILE 186 186 25485 1 . ASN 187 187 25485 1 . PHE 188 188 25485 1 . LEU 189 189 25485 1 . TYR 190 190 25485 1 . ALA 191 191 25485 1 . ALA 192 192 25485 1 . THR 193 193 25485 1 . HIS 194 194 25485 1 . ALA 195 195 25485 1 . LEU 196 196 25485 1 . GLY 197 197 25485 1 . HIS 198 198 25485 1 . SER 199 199 25485 1 . LEU 200 200 25485 1 . GLY 201 201 25485 1 . MET 202 202 25485 1 . GLY 203 203 25485 1 . HIS 204 204 25485 1 . SER 205 205 25485 1 . SER 206 206 25485 1 . ASP 207 207 25485 1 . PRO 208 208 25485 1 . ASN 209 209 25485 1 . ALA 210 210 25485 1 . VAL 211 211 25485 1 . MET 212 212 25485 1 . TYR 213 213 25485 1 . PRO 214 214 25485 1 . THR 215 215 25485 1 . TYR 216 216 25485 1 . GLY 217 217 25485 1 . ASN 218 218 25485 1 . GLY 219 219 25485 1 . ASP 220 220 25485 1 . PRO 221 221 25485 1 . GLN 222 222 25485 1 . ASN 223 223 25485 1 . PHE 224 224 25485 1 . LYS 225 225 25485 1 . LEU 226 226 25485 1 . SER 227 227 25485 1 . GLN 228 228 25485 1 . ASP 229 229 25485 1 . ASP 230 230 25485 1 . ILE 231 231 25485 1 . LYS 232 232 25485 1 . GLY 233 233 25485 1 . ILE 234 234 25485 1 . GLN 235 235 25485 1 . LYS 236 236 25485 1 . LEU 237 237 25485 1 . TYR 238 238 25485 1 . GLY 239 239 25485 1 . LYS 240 240 25485 1 . ARG 241 241 25485 1 . SER 242 242 25485 1 . ASN 243 243 25485 1 . SER 244 244 25485 1 . ARG 245 245 25485 1 . LYS 246 246 25485 1 . LYS 247 247 25485 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25485 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25485 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25485 2 CA 'Three letter code' 25485 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25485 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25485 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25485 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25485 3 ZN 'Three letter code' 25485 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25485 3 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 25485 _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 $proMMP-7(E195A) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 25485 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 25485 _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 $proMMP-7(E195A) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28-a . . . 25485 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25485 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25485 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25485 CA [Ca++] SMILES CACTVS 3.341 25485 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25485 CA [Ca+2] SMILES ACDLabs 10.04 25485 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25485 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25485 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25485 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25485 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25485 CA stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25485 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25485 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25485 ZN [Zn++] SMILES CACTVS 3.341 25485 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25485 ZN [Zn+2] SMILES ACDLabs 10.04 25485 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25485 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25485 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25485 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25485 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25485 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25485 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details Assignment/NOESY _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 proMMP-7(E195A) '[U-100% 13C; U-100% 15N]' . . 1 $proMMP-7(E195A) . . 0.4 . . mM . . . . 25485 1 2 'imidazole, pH 6.6' 'natural abundance' . . . . . . 20 . . mM . . . . 25485 1 3 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 25485 1 4 ZnCl2 'natural abundance' . . . . . . 20 . . uM . . . . 25485 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25485 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25485 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25485 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25485 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25485 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Stereospecific assignment' _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 proMMP-7(E195A) '[U-10% 13C; U-100% 15N]' . . 1 $proMMP-7(E195A) . . 0.4 . . mM . . . . 25485 2 2 'imidazole, pH 6.6' 'natural abundance' . . . . . . 20 . . mM . . . . 25485 2 3 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 25485 2 4 ZnCl2 'natural abundance' . . . . . . 20 . . uM . . . . 25485 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25485 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25485 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25485 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25485 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25485 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Methyl NOESY' _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 proMMP-7(E195A) '[U-100% 15N, U-100% 13CH3 (ILV)]' . . 1 $proMMP-7(E195A) . . 0.4 . . mM . . . . 25485 3 2 'imidazole, pH 6.6' 'natural abundance' . . . . . . 20 . . mM . . . . 25485 3 3 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 25485 3 4 ZnCl2 'natural abundance' . . . . . . 20 . . uM . . . . 25485 3 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25485 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25485 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25485 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25485 3 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 25485 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 25485 1 temperature 310 . K 25485 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25485 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details 'Spectral processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25485 1 processing 25485 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25485 _Software.ID 2 _Software.Name Analysis _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25485 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25485 2 'peak picking' 25485 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25485 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25485 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25485 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25485 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25485 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25485 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25485 _Software.ID 5 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25485 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Validation 25485 5 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 25485 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25485 _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 . 800 'TCI cryoprobe' . . 25485 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 25485 _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 . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 11 (Hb)Cb(CgCd)Hd no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 12 (Hb)Cb(CgCd)He no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25485 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 25485 _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 internal indirect 0.251449530 . . . . . . . . . 25485 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25485 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25485 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 25485 _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 3 '3D HNCACB' . . . 25485 1 4 '3D CBCA(CO)NH' . . . 25485 1 5 '3D HNCO' . . . 25485 1 6 '3D HNCA' . . . 25485 1 7 '3D HN(CO)CA' . . . 25485 1 9 '3D H(CCO)NH' . . . 25485 1 10 '3D HCCH-TOCSY' . . . 25485 1 11 (Hb)Cb(CgCd)Hd . . . 25485 1 12 (Hb)Cb(CgCd)He . . . 25485 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 GLN HA H 1 4.307 0.000 . 1 . . . . 2 Gln HA . 25485 1 2 . 1 1 2 2 GLN HB2 H 1 2.124 0.000 . 2 . . . . 2 Gln HB2 . 25485 1 3 . 1 1 2 2 GLN HB3 H 1 2.124 0.000 . 2 . . . . 2 Gln HB3 . 25485 1 4 . 1 1 2 2 GLN HG2 H 1 2.363 0.008 . 2 . . . . 2 Gln HG2 . 25485 1 5 . 1 1 2 2 GLN HG3 H 1 2.371 0.000 . 2 . . . . 2 Gln HG3 . 25485 1 6 . 1 1 2 2 GLN C C 13 176.492 0.000 . 1 . . . . 2 Gln C . 25485 1 7 . 1 1 2 2 GLN CA C 13 56.751 0.110 . 1 . . . . 2 Gln CA . 25485 1 8 . 1 1 2 2 GLN CB C 13 28.731 0.167 . 1 . . . . 2 Gln CB . 25485 1 9 . 1 1 2 2 GLN CG C 13 34.230 0.040 . 1 . . . . 2 Gln CG . 25485 1 10 . 1 1 3 3 GLU H H 1 8.331 0.013 . 1 . . . . 3 Glu H . 25485 1 11 . 1 1 3 3 GLU HA H 1 3.789 0.000 . 1 . . . . 3 Glu HA . 25485 1 12 . 1 1 3 3 GLU C C 13 176.278 0.016 . 1 . . . . 3 Glu C . 25485 1 13 . 1 1 3 3 GLU CA C 13 57.067 0.049 . 1 . . . . 3 Glu CA . 25485 1 14 . 1 1 3 3 GLU CB C 13 29.721 0.106 . 1 . . . . 3 Glu CB . 25485 1 15 . 1 1 3 3 GLU CG C 13 43.114 0.000 . 1 . . . . 3 Glu CG . 25485 1 16 . 1 1 3 3 GLU N N 15 121.668 0.000 . 1 . . . . 3 Glu N . 25485 1 17 . 1 1 4 4 ALA H H 1 8.131 0.023 . 1 . . . . 4 Ala H . 25485 1 18 . 1 1 4 4 ALA HA H 1 4.510 0.000 . 1 . . . . 4 Ala HA . 25485 1 19 . 1 1 4 4 ALA HB1 H 1 1.281 0.010 . 1 . . . . 4 Ala HB1 . 25485 1 20 . 1 1 4 4 ALA HB2 H 1 1.281 0.010 . 1 . . . . 4 Ala HB2 . 25485 1 21 . 1 1 4 4 ALA HB3 H 1 1.281 0.010 . 1 . . . . 4 Ala HB3 . 25485 1 22 . 1 1 4 4 ALA C C 13 178.428 0.000 . 1 . . . . 4 Ala C . 25485 1 23 . 1 1 4 4 ALA CA C 13 54.671 0.021 . 1 . . . . 4 Ala CA . 25485 1 24 . 1 1 4 4 ALA CB C 13 18.711 0.085 . 1 . . . . 4 Ala CB . 25485 1 25 . 1 1 4 4 ALA N N 15 124.493 0.000 . 1 . . . . 4 Ala N . 25485 1 26 . 1 1 5 5 GLY H H 1 8.279 0.000 . 1 . . . . 5 Gly H . 25485 1 27 . 1 1 5 5 GLY HA2 H 1 3.988 0.000 . 1 . . . . 5 Gly HA2 . 25485 1 28 . 1 1 5 5 GLY HA3 H 1 3.988 0.000 . 1 . . . . 5 Gly HA3 . 25485 1 29 . 1 1 5 5 GLY C C 13 174.858 0.060 . 1 . . . . 5 Gly C . 25485 1 30 . 1 1 5 5 GLY CA C 13 47.663 0.000 . 1 . . . . 5 Gly CA . 25485 1 31 . 1 1 5 5 GLY N N 15 108.204 0.000 . 1 . . . . 5 Gly N . 25485 1 32 . 1 1 6 6 GLY H H 1 8.246 0.009 . 1 . . . . 6 Gly H . 25485 1 33 . 1 1 6 6 GLY HA2 H 1 3.911 0.005 . 1 . . . . 6 Gly HA2 . 25485 1 34 . 1 1 6 6 GLY HA3 H 1 3.911 0.005 . 1 . . . . 6 Gly HA3 . 25485 1 35 . 1 1 6 6 GLY C C 13 174.181 0.025 . 1 . . . . 6 Gly C . 25485 1 36 . 1 1 6 6 GLY CA C 13 44.457 0.002 . 1 . . . . 6 Gly CA . 25485 1 37 . 1 1 6 6 GLY N N 15 108.820 0.000 . 1 . . . . 6 Gly N . 25485 1 38 . 1 1 7 7 MET H H 1 8.005 0.038 . 1 . . . . 7 Met H . 25485 1 39 . 1 1 7 7 MET HA H 1 4.659 0.000 . 1 . . . . 7 Met HA . 25485 1 40 . 1 1 7 7 MET HB2 H 1 1.838 0.000 . 2 . . . . 7 Met HB2 . 25485 1 41 . 1 1 7 7 MET HB3 H 1 1.838 0.000 . 2 . . . . 7 Met HB3 . 25485 1 42 . 1 1 7 7 MET C C 13 176.190 0.003 . 1 . . . . 7 Met C . 25485 1 43 . 1 1 7 7 MET CA C 13 54.810 0.032 . 1 . . . . 7 Met CA . 25485 1 44 . 1 1 7 7 MET CB C 13 33.021 0.134 . 1 . . . . 7 Met CB . 25485 1 45 . 1 1 7 7 MET N N 15 119.938 0.000 . 1 . . . . 7 Met N . 25485 1 46 . 1 1 8 8 SER H H 1 8.731 0.000 . 1 . . . . 8 Ser H . 25485 1 47 . 1 1 8 8 SER HA H 1 4.239 0.000 . 1 . . . . 8 Ser HA . 25485 1 48 . 1 1 8 8 SER HB2 H 1 3.965 0.000 . 2 . . . . 8 Ser HB2 . 25485 1 49 . 1 1 8 8 SER HB3 H 1 3.965 0.000 . 2 . . . . 8 Ser HB3 . 25485 1 50 . 1 1 8 8 SER C C 13 174.949 0.035 . 1 . . . . 8 Ser C . 25485 1 51 . 1 1 8 8 SER CA C 13 58.144 0.062 . 1 . . . . 8 Ser CA . 25485 1 52 . 1 1 8 8 SER CB C 13 65.424 0.054 . 1 . . . . 8 Ser CB . 25485 1 53 . 1 1 8 8 SER N N 15 118.919 0.000 . 1 . . . . 8 Ser N . 25485 1 54 . 1 1 9 9 GLU H H 1 8.901 0.005 . 1 . . . . 9 Glu H . 25485 1 55 . 1 1 9 9 GLU HA H 1 4.321 0.018 . 1 . . . . 9 Glu HA . 25485 1 56 . 1 1 9 9 GLU C C 13 178.607 0.009 . 1 . . . . 9 Glu C . 25485 1 57 . 1 1 9 9 GLU CA C 13 59.502 0.027 . 1 . . . . 9 Glu CA . 25485 1 58 . 1 1 9 9 GLU CB C 13 29.161 0.083 . 1 . . . . 9 Glu CB . 25485 1 59 . 1 1 9 9 GLU N N 15 122.442 0.000 . 1 . . . . 9 Glu N . 25485 1 60 . 1 1 10 10 LEU H H 1 8.020 0.011 . 1 . . . . 10 Leu H . 25485 1 61 . 1 1 10 10 LEU HB2 H 1 1.611 0.000 . 2 . . . . 10 Leu HB2 . 25485 1 62 . 1 1 10 10 LEU HB3 H 1 1.611 0.000 . 2 . . . . 10 Leu HB3 . 25485 1 63 . 1 1 10 10 LEU HD11 H 1 0.987 0.000 . 2 . . . . 10 Leu HD11 . 25485 1 64 . 1 1 10 10 LEU HD12 H 1 0.987 0.000 . 2 . . . . 10 Leu HD12 . 25485 1 65 . 1 1 10 10 LEU HD13 H 1 0.987 0.000 . 2 . . . . 10 Leu HD13 . 25485 1 66 . 1 1 10 10 LEU C C 13 179.297 0.030 . 1 . . . . 10 Leu C . 25485 1 67 . 1 1 10 10 LEU CA C 13 57.468 0.194 . 1 . . . . 10 Leu CA . 25485 1 68 . 1 1 10 10 LEU CB C 13 41.587 0.108 . 1 . . . . 10 Leu CB . 25485 1 69 . 1 1 10 10 LEU CG C 13 26.725 0.000 . 1 . . . . 10 Leu CG . 25485 1 70 . 1 1 10 10 LEU CD1 C 13 23.975 0.000 . 2 . . . . 10 Leu CD1 . 25485 1 71 . 1 1 10 10 LEU N N 15 120.568 0.127 . 1 . . . . 10 Leu N . 25485 1 72 . 1 1 11 11 GLN H H 1 7.811 0.012 . 1 . . . . 11 Gln H . 25485 1 73 . 1 1 11 11 GLN HA H 1 4.134 0.000 . 1 . . . . 11 Gln HA . 25485 1 74 . 1 1 11 11 GLN HB2 H 1 1.718 0.000 . 2 . . . . 11 Gln HB2 . 25485 1 75 . 1 1 11 11 GLN HB3 H 1 1.718 0.000 . 2 . . . . 11 Gln HB3 . 25485 1 76 . 1 1 11 11 GLN HG2 H 1 2.383 0.000 . 2 . . . . 11 Gln HG2 . 25485 1 77 . 1 1 11 11 GLN HG3 H 1 2.383 0.000 . 2 . . . . 11 Gln HG3 . 25485 1 78 . 1 1 11 11 GLN HE21 H 1 6.891 0.000 . 1 . . . . 11 Gln HE21 . 25485 1 79 . 1 1 11 11 GLN HE22 H 1 7.240 0.000 . 1 . . . . 11 Gln HE22 . 25485 1 80 . 1 1 11 11 GLN C C 13 178.329 0.003 . 1 . . . . 11 Gln C . 25485 1 81 . 1 1 11 11 GLN CA C 13 58.919 0.262 . 1 . . . . 11 Gln CA . 25485 1 82 . 1 1 11 11 GLN CB C 13 27.985 0.471 . 1 . . . . 11 Gln CB . 25485 1 83 . 1 1 11 11 GLN CG C 13 32.091 0.000 . 1 . . . . 11 Gln CG . 25485 1 84 . 1 1 11 11 GLN N N 15 119.930 0.037 . 1 . . . . 11 Gln N . 25485 1 85 . 1 1 11 11 GLN NE2 N 15 111.760 0.000 . 1 . . . . 11 Gln NE2 . 25485 1 86 . 1 1 12 12 TRP H H 1 8.205 0.037 . 1 . . . . 12 Trp H . 25485 1 87 . 1 1 12 12 TRP HA H 1 4.414 0.020 . 1 . . . . 12 Trp HA . 25485 1 88 . 1 1 12 12 TRP HB2 H 1 3.258 0.013 . 2 . . . . 12 Trp HB2 . 25485 1 89 . 1 1 12 12 TRP HB3 H 1 3.352 0.014 . 2 . . . . 12 Trp HB3 . 25485 1 90 . 1 1 12 12 TRP HD1 H 1 7.198 0.001 . 1 . . . . 12 Trp HD1 . 25485 1 91 . 1 1 12 12 TRP HE1 H 1 10.111 0.011 . 1 . . . . 12 Trp HE1 . 25485 1 92 . 1 1 12 12 TRP HE3 H 1 7.591 0.007 . 1 . . . . 12 Trp HE3 . 25485 1 93 . 1 1 12 12 TRP HZ2 H 1 7.562 0.006 . 1 . . . . 12 Trp HZ2 . 25485 1 94 . 1 1 12 12 TRP HZ3 H 1 6.869 0.013 . 1 . . . . 12 Trp HZ3 . 25485 1 95 . 1 1 12 12 TRP HH2 H 1 7.117 0.008 . 1 . . . . 12 Trp HH2 . 25485 1 96 . 1 1 12 12 TRP C C 13 178.872 0.009 . 1 . . . . 12 Trp C . 25485 1 97 . 1 1 12 12 TRP CA C 13 60.514 0.063 . 1 . . . . 12 Trp CA . 25485 1 98 . 1 1 12 12 TRP CB C 13 29.396 0.075 . 1 . . . . 12 Trp CB . 25485 1 99 . 1 1 12 12 TRP CD1 C 13 127.323 0.003 . 1 . . . . 12 Trp CD1 . 25485 1 100 . 1 1 12 12 TRP CE3 C 13 121.453 0.000 . 1 . . . . 12 Trp CE3 . 25485 1 101 . 1 1 12 12 TRP CZ2 C 13 115.016 0.181 . 1 . . . . 12 Trp CZ2 . 25485 1 102 . 1 1 12 12 TRP CZ3 C 13 121.484 0.052 . 1 . . . . 12 Trp CZ3 . 25485 1 103 . 1 1 12 12 TRP CH2 C 13 124.532 0.073 . 1 . . . . 12 Trp CH2 . 25485 1 104 . 1 1 12 12 TRP N N 15 121.031 0.005 . 1 . . . . 12 Trp N . 25485 1 105 . 1 1 12 12 TRP NE1 N 15 129.768 0.010 . 1 . . . . 12 Trp NE1 . 25485 1 106 . 1 1 13 13 GLU H H 1 8.433 0.026 . 1 . . . . 13 Glu H . 25485 1 107 . 1 1 13 13 GLU C C 13 179.422 0.008 . 1 . . . . 13 Glu C . 25485 1 108 . 1 1 13 13 GLU CA C 13 60.065 0.109 . 1 . . . . 13 Glu CA . 25485 1 109 . 1 1 13 13 GLU CB C 13 28.935 0.050 . 1 . . . . 13 Glu CB . 25485 1 110 . 1 1 13 13 GLU N N 15 121.866 0.098 . 1 . . . . 13 Glu N . 25485 1 111 . 1 1 14 14 GLN H H 1 8.124 0.031 . 1 . . . . 14 Gln H . 25485 1 112 . 1 1 14 14 GLN HA H 1 4.238 0.054 . 1 . . . . 14 Gln HA . 25485 1 113 . 1 1 14 14 GLN HB2 H 1 2.163 0.018 . 2 . . . . 14 Gln HB2 . 25485 1 114 . 1 1 14 14 GLN HB3 H 1 2.164 0.017 . 2 . . . . 14 Gln HB3 . 25485 1 115 . 1 1 14 14 GLN HG2 H 1 2.524 0.030 . 2 . . . . 14 Gln HG2 . 25485 1 116 . 1 1 14 14 GLN HG3 H 1 2.512 0.012 . 2 . . . . 14 Gln HG3 . 25485 1 117 . 1 1 14 14 GLN C C 13 179.214 0.017 . 1 . . . . 14 Gln C . 25485 1 118 . 1 1 14 14 GLN CA C 13 58.877 0.027 . 1 . . . . 14 Gln CA . 25485 1 119 . 1 1 14 14 GLN CB C 13 27.758 0.148 . 1 . . . . 14 Gln CB . 25485 1 120 . 1 1 14 14 GLN CG C 13 33.953 0.035 . 1 . . . . 14 Gln CG . 25485 1 121 . 1 1 14 14 GLN N N 15 120.449 0.081 . 1 . . . . 14 Gln N . 25485 1 122 . 1 1 15 15 ALA H H 1 8.344 0.020 . 1 . . . . 15 Ala H . 25485 1 123 . 1 1 15 15 ALA HA H 1 4.390 0.011 . 1 . . . . 15 Ala HA . 25485 1 124 . 1 1 15 15 ALA HB1 H 1 1.255 0.034 . 1 . . . . 15 Ala HB1 . 25485 1 125 . 1 1 15 15 ALA HB2 H 1 1.255 0.034 . 1 . . . . 15 Ala HB2 . 25485 1 126 . 1 1 15 15 ALA HB3 H 1 1.255 0.034 . 1 . . . . 15 Ala HB3 . 25485 1 127 . 1 1 15 15 ALA C C 13 179.352 0.014 . 1 . . . . 15 Ala C . 25485 1 128 . 1 1 15 15 ALA CA C 13 54.919 0.043 . 1 . . . . 15 Ala CA . 25485 1 129 . 1 1 15 15 ALA CB C 13 18.657 0.042 . 1 . . . . 15 Ala CB . 25485 1 130 . 1 1 15 15 ALA N N 15 123.114 0.076 . 1 . . . . 15 Ala N . 25485 1 131 . 1 1 16 16 GLN H H 1 8.500 0.048 . 1 . . . . 16 Gln H . 25485 1 132 . 1 1 16 16 GLN HA H 1 3.782 0.004 . 1 . . . . 16 Gln HA . 25485 1 133 . 1 1 16 16 GLN HB2 H 1 2.274 0.018 . 2 . . . . 16 Gln HB2 . 25485 1 134 . 1 1 16 16 GLN HB3 H 1 2.274 0.018 . 2 . . . . 16 Gln HB3 . 25485 1 135 . 1 1 16 16 GLN HG2 H 1 2.199 0.000 . 2 . . . . 16 Gln HG2 . 25485 1 136 . 1 1 16 16 GLN HG3 H 1 2.441 0.000 . 2 . . . . 16 Gln HG3 . 25485 1 137 . 1 1 16 16 GLN HE21 H 1 6.705 0.016 . 1 . . . . 16 Gln HE21 . 25485 1 138 . 1 1 16 16 GLN HE22 H 1 7.584 0.000 . 1 . . . . 16 Gln HE22 . 25485 1 139 . 1 1 16 16 GLN C C 13 177.718 0.005 . 1 . . . . 16 Gln C . 25485 1 140 . 1 1 16 16 GLN CA C 13 60.246 0.096 . 1 . . . . 16 Gln CA . 25485 1 141 . 1 1 16 16 GLN CB C 13 28.512 0.152 . 1 . . . . 16 Gln CB . 25485 1 142 . 1 1 16 16 GLN CG C 13 34.825 0.000 . 1 . . . . 16 Gln CG . 25485 1 143 . 1 1 16 16 GLN N N 15 117.718 0.156 . 1 . . . . 16 Gln N . 25485 1 144 . 1 1 16 16 GLN NE2 N 15 112.345 0.188 . 1 . . . . 16 Gln NE2 . 25485 1 145 . 1 1 17 17 ASP H H 1 7.871 0.026 . 1 . . . . 17 Asp H . 25485 1 146 . 1 1 17 17 ASP HA H 1 4.536 0.037 . 1 . . . . 17 Asp HA . 25485 1 147 . 1 1 17 17 ASP HB2 H 1 2.853 0.025 . 2 . . . . 17 Asp HB2 . 25485 1 148 . 1 1 17 17 ASP HB3 H 1 2.853 0.025 . 2 . . . . 17 Asp HB3 . 25485 1 149 . 1 1 17 17 ASP C C 13 177.630 0.044 . 1 . . . . 17 Asp C . 25485 1 150 . 1 1 17 17 ASP CA C 13 57.809 0.042 . 1 . . . . 17 Asp CA . 25485 1 151 . 1 1 17 17 ASP CB C 13 41.855 0.090 . 1 . . . . 17 Asp CB . 25485 1 152 . 1 1 17 17 ASP N N 15 120.040 0.077 . 1 . . . . 17 Asp N . 25485 1 153 . 1 1 18 18 TYR H H 1 8.244 0.031 . 1 . . . . 18 Tyr H . 25485 1 154 . 1 1 18 18 TYR HA H 1 4.190 0.007 . 1 . . . . 18 Tyr HA . 25485 1 155 . 1 1 18 18 TYR HB2 H 1 3.420 0.026 . 2 . . . . 18 Tyr HB2 . 25485 1 156 . 1 1 18 18 TYR HB3 H 1 3.423 0.024 . 2 . . . . 18 Tyr HB3 . 25485 1 157 . 1 1 18 18 TYR C C 13 178.439 0.030 . 1 . . . . 18 Tyr C . 25485 1 158 . 1 1 18 18 TYR CA C 13 61.842 0.032 . 1 . . . . 18 Tyr CA . 25485 1 159 . 1 1 18 18 TYR CB C 13 39.918 0.073 . 1 . . . . 18 Tyr CB . 25485 1 160 . 1 1 18 18 TYR N N 15 122.465 0.130 . 1 . . . . 18 Tyr N . 25485 1 161 . 1 1 19 19 LEU H H 1 8.714 0.038 . 1 . . . . 19 Leu H . 25485 1 162 . 1 1 19 19 LEU HA H 1 4.132 0.000 . 1 . . . . 19 Leu HA . 25485 1 163 . 1 1 19 19 LEU HB2 H 1 1.273 0.035 . 2 . . . . 19 Leu HB2 . 25485 1 164 . 1 1 19 19 LEU HB3 H 1 1.990 0.034 . 2 . . . . 19 Leu HB3 . 25485 1 165 . 1 1 19 19 LEU HG H 1 1.084 0.012 . 1 . . . . 19 Leu HG . 25485 1 166 . 1 1 19 19 LEU HD11 H 1 0.697 0.028 . 1 . . . . 19 Leu HD11 . 25485 1 167 . 1 1 19 19 LEU HD12 H 1 0.697 0.028 . 1 . . . . 19 Leu HD12 . 25485 1 168 . 1 1 19 19 LEU HD13 H 1 0.697 0.028 . 1 . . . . 19 Leu HD13 . 25485 1 169 . 1 1 19 19 LEU HD21 H 1 0.539 0.043 . 1 . . . . 19 Leu HD21 . 25485 1 170 . 1 1 19 19 LEU HD22 H 1 0.539 0.043 . 1 . . . . 19 Leu HD22 . 25485 1 171 . 1 1 19 19 LEU HD23 H 1 0.539 0.043 . 1 . . . . 19 Leu HD23 . 25485 1 172 . 1 1 19 19 LEU C C 13 180.940 0.009 . 1 . . . . 19 Leu C . 25485 1 173 . 1 1 19 19 LEU CA C 13 57.501 0.109 . 1 . . . . 19 Leu CA . 25485 1 174 . 1 1 19 19 LEU CB C 13 40.552 0.063 . 1 . . . . 19 Leu CB . 25485 1 175 . 1 1 19 19 LEU CG C 13 26.171 0.003 . 1 . . . . 19 Leu CG . 25485 1 176 . 1 1 19 19 LEU CD1 C 13 24.589 0.045 . 1 . . . . 19 Leu CD1 . 25485 1 177 . 1 1 19 19 LEU CD2 C 13 25.487 0.002 . 1 . . . . 19 Leu CD2 . 25485 1 178 . 1 1 19 19 LEU N N 15 117.635 0.069 . 1 . . . . 19 Leu N . 25485 1 179 . 1 1 20 20 LYS H H 1 8.815 0.022 . 1 . . . . 20 Lys H . 25485 1 180 . 1 1 20 20 LYS HA H 1 4.084 0.009 . 1 . . . . 20 Lys HA . 25485 1 181 . 1 1 20 20 LYS HB2 H 1 2.146 0.024 . 2 . . . . 20 Lys HB2 . 25485 1 182 . 1 1 20 20 LYS HB3 H 1 2.120 0.022 . 2 . . . . 20 Lys HB3 . 25485 1 183 . 1 1 20 20 LYS HG2 H 1 1.588 0.026 . 2 . . . . 20 Lys HG2 . 25485 1 184 . 1 1 20 20 LYS HG3 H 1 1.523 0.002 . 2 . . . . 20 Lys HG3 . 25485 1 185 . 1 1 20 20 LYS HD2 H 1 1.743 0.023 . 2 . . . . 20 Lys HD2 . 25485 1 186 . 1 1 20 20 LYS HD3 H 1 1.743 0.023 . 2 . . . . 20 Lys HD3 . 25485 1 187 . 1 1 20 20 LYS HE2 H 1 3.023 0.010 . 2 . . . . 20 Lys HE2 . 25485 1 188 . 1 1 20 20 LYS HE3 H 1 3.023 0.010 . 2 . . . . 20 Lys HE3 . 25485 1 189 . 1 1 20 20 LYS C C 13 178.386 0.000 . 1 . . . . 20 Lys C . 25485 1 190 . 1 1 20 20 LYS CA C 13 59.739 0.125 . 1 . . . . 20 Lys CA . 25485 1 191 . 1 1 20 20 LYS CB C 13 32.430 0.147 . 1 . . . . 20 Lys CB . 25485 1 192 . 1 1 20 20 LYS CG C 13 24.880 0.015 . 1 . . . . 20 Lys CG . 25485 1 193 . 1 1 20 20 LYS CD C 13 29.036 0.000 . 1 . . . . 20 Lys CD . 25485 1 194 . 1 1 20 20 LYS CE C 13 41.702 0.000 . 1 . . . . 20 Lys CE . 25485 1 195 . 1 1 20 20 LYS N N 15 124.592 0.087 . 1 . . . . 20 Lys N . 25485 1 196 . 1 1 21 21 ARG H H 1 7.810 0.022 . 1 . . . . 21 Arg H . 25485 1 197 . 1 1 21 21 ARG HA H 1 3.719 0.025 . 1 . . . . 21 Arg HA . 25485 1 198 . 1 1 21 21 ARG HB2 H 1 2.088 0.000 . 2 . . . . 21 Arg HB2 . 25485 1 199 . 1 1 21 21 ARG HB3 H 1 2.088 0.000 . 2 . . . . 21 Arg HB3 . 25485 1 200 . 1 1 21 21 ARG HG2 H 1 1.269 0.019 . 2 . . . . 21 Arg HG2 . 25485 1 201 . 1 1 21 21 ARG HG3 H 1 1.269 0.018 . 2 . . . . 21 Arg HG3 . 25485 1 202 . 1 1 21 21 ARG HD2 H 1 2.987 0.016 . 2 . . . . 21 Arg HD2 . 25485 1 203 . 1 1 21 21 ARG HD3 H 1 2.987 0.016 . 2 . . . . 21 Arg HD3 . 25485 1 204 . 1 1 21 21 ARG C C 13 178.499 0.021 . 1 . . . . 21 Arg C . 25485 1 205 . 1 1 21 21 ARG CA C 13 59.260 0.053 . 1 . . . . 21 Arg CA . 25485 1 206 . 1 1 21 21 ARG CB C 13 29.455 0.143 . 1 . . . . 21 Arg CB . 25485 1 207 . 1 1 21 21 ARG CG C 13 27.974 0.031 . 1 . . . . 21 Arg CG . 25485 1 208 . 1 1 21 21 ARG CD C 13 43.689 0.043 . 1 . . . . 21 Arg CD . 25485 1 209 . 1 1 21 21 ARG N N 15 117.535 0.072 . 1 . . . . 21 Arg N . 25485 1 210 . 1 1 22 22 PHE H H 1 8.005 0.036 . 1 . . . . 22 Phe H . 25485 1 211 . 1 1 22 22 PHE HA H 1 4.911 0.000 . 1 . . . . 22 Phe HA . 25485 1 212 . 1 1 22 22 PHE HB2 H 1 2.697 0.035 . 2 . . . . 22 Phe HB2 . 25485 1 213 . 1 1 22 22 PHE HB3 H 1 3.015 0.046 . 2 . . . . 22 Phe HB3 . 25485 1 214 . 1 1 22 22 PHE HD1 H 1 7.138 0.000 . 1 . . . . 22 Phe HD1 . 25485 1 215 . 1 1 22 22 PHE HD2 H 1 7.138 0.000 . 1 . . . . 22 Phe HD2 . 25485 1 216 . 1 1 22 22 PHE HE1 H 1 6.363 0.014 . 1 . . . . 22 Phe HE1 . 25485 1 217 . 1 1 22 22 PHE HE2 H 1 6.363 0.014 . 1 . . . . 22 Phe HE2 . 25485 1 218 . 1 1 22 22 PHE HZ H 1 6.940 0.012 . 1 . . . . 22 Phe HZ . 25485 1 219 . 1 1 22 22 PHE C C 13 174.875 0.015 . 1 . . . . 22 Phe C . 25485 1 220 . 1 1 22 22 PHE CA C 13 57.479 0.099 . 1 . . . . 22 Phe CA . 25485 1 221 . 1 1 22 22 PHE CB C 13 39.232 0.034 . 1 . . . . 22 Phe CB . 25485 1 222 . 1 1 22 22 PHE CE1 C 13 126.747 0.000 . 1 . . . . 22 Phe CE1 . 25485 1 223 . 1 1 22 22 PHE CE2 C 13 126.747 0.000 . 1 . . . . 22 Phe CE2 . 25485 1 224 . 1 1 22 22 PHE N N 15 112.117 0.034 . 1 . . . . 22 Phe N . 25485 1 225 . 1 1 23 23 TYR H H 1 7.678 0.017 . 1 . . . . 23 Tyr H . 25485 1 226 . 1 1 23 23 TYR HB2 H 1 2.980 0.021 . 2 . . . . 23 Tyr HB2 . 25485 1 227 . 1 1 23 23 TYR HB3 H 1 3.448 0.010 . 2 . . . . 23 Tyr HB3 . 25485 1 228 . 1 1 23 23 TYR C C 13 173.461 0.042 . 1 . . . . 23 Tyr C . 25485 1 229 . 1 1 23 23 TYR CA C 13 58.425 0.050 . 1 . . . . 23 Tyr CA . 25485 1 230 . 1 1 23 23 TYR CB C 13 39.561 0.074 . 1 . . . . 23 Tyr CB . 25485 1 231 . 1 1 23 23 TYR N N 15 116.183 0.060 . 1 . . . . 23 Tyr N . 25485 1 232 . 1 1 24 24 LEU H H 1 7.238 0.024 . 1 . . . . 24 Leu H . 25485 1 233 . 1 1 24 24 LEU HA H 1 4.150 0.016 . 1 . . . . 24 Leu HA . 25485 1 234 . 1 1 24 24 LEU HB2 H 1 1.699 0.012 . 2 . . . . 24 Leu HB2 . 25485 1 235 . 1 1 24 24 LEU HB3 H 1 1.887 0.031 . 2 . . . . 24 Leu HB3 . 25485 1 236 . 1 1 24 24 LEU HG H 1 1.272 0.013 . 1 . . . . 24 Leu HG . 25485 1 237 . 1 1 24 24 LEU HD11 H 1 0.765 0.027 . 1 . . . . 24 Leu HD11 . 25485 1 238 . 1 1 24 24 LEU HD12 H 1 0.765 0.027 . 1 . . . . 24 Leu HD12 . 25485 1 239 . 1 1 24 24 LEU HD13 H 1 0.765 0.027 . 1 . . . . 24 Leu HD13 . 25485 1 240 . 1 1 24 24 LEU HD21 H 1 0.775 0.028 . 1 . . . . 24 Leu HD21 . 25485 1 241 . 1 1 24 24 LEU HD22 H 1 0.775 0.028 . 1 . . . . 24 Leu HD22 . 25485 1 242 . 1 1 24 24 LEU HD23 H 1 0.775 0.028 . 1 . . . . 24 Leu HD23 . 25485 1 243 . 1 1 24 24 LEU C C 13 176.655 0.022 . 1 . . . . 24 Leu C . 25485 1 244 . 1 1 24 24 LEU CA C 13 56.155 0.105 . 1 . . . . 24 Leu CA . 25485 1 245 . 1 1 24 24 LEU CB C 13 36.871 0.058 . 1 . . . . 24 Leu CB . 25485 1 246 . 1 1 24 24 LEU CG C 13 27.540 0.052 . 1 . . . . 24 Leu CG . 25485 1 247 . 1 1 24 24 LEU CD1 C 13 25.030 0.094 . 1 . . . . 24 Leu CD1 . 25485 1 248 . 1 1 24 24 LEU CD2 C 13 22.830 0.079 . 1 . . . . 24 Leu CD2 . 25485 1 249 . 1 1 24 24 LEU N N 15 115.566 0.096 . 1 . . . . 24 Leu N . 25485 1 250 . 1 1 25 25 TYR H H 1 7.845 0.023 . 1 . . . . 25 Tyr H . 25485 1 251 . 1 1 25 25 TYR HA H 1 4.359 0.044 . 1 . . . . 25 Tyr HA . 25485 1 252 . 1 1 25 25 TYR HB2 H 1 2.325 0.018 . 2 . . . . 25 Tyr HB2 . 25485 1 253 . 1 1 25 25 TYR HB3 H 1 2.731 0.038 . 2 . . . . 25 Tyr HB3 . 25485 1 254 . 1 1 25 25 TYR HD1 H 1 6.985 0.016 . 1 . . . . 25 Tyr HD1 . 25485 1 255 . 1 1 25 25 TYR HD2 H 1 6.985 0.016 . 1 . . . . 25 Tyr HD2 . 25485 1 256 . 1 1 25 25 TYR HE1 H 1 6.739 0.008 . 1 . . . . 25 Tyr HE1 . 25485 1 257 . 1 1 25 25 TYR HE2 H 1 6.739 0.008 . 1 . . . . 25 Tyr HE2 . 25485 1 258 . 1 1 25 25 TYR C C 13 173.780 0.014 . 1 . . . . 25 Tyr C . 25485 1 259 . 1 1 25 25 TYR CA C 13 58.205 0.096 . 1 . . . . 25 Tyr CA . 25485 1 260 . 1 1 25 25 TYR CB C 13 39.031 0.152 . 1 . . . . 25 Tyr CB . 25485 1 261 . 1 1 25 25 TYR CD1 C 13 132.728 0.002 . 1 . . . . 25 Tyr CD1 . 25485 1 262 . 1 1 25 25 TYR CD2 C 13 132.728 0.002 . 1 . . . . 25 Tyr CD2 . 25485 1 263 . 1 1 25 25 TYR CE1 C 13 118.371 0.001 . 1 . . . . 25 Tyr CE1 . 25485 1 264 . 1 1 25 25 TYR CE2 C 13 118.371 0.001 . 1 . . . . 25 Tyr CE2 . 25485 1 265 . 1 1 25 25 TYR N N 15 119.901 0.092 . 1 . . . . 25 Tyr N . 25485 1 266 . 1 1 26 26 ASP H H 1 8.108 0.010 . 1 . . . . 26 Asp H . 25485 1 267 . 1 1 26 26 ASP HA H 1 4.451 0.030 . 1 . . . . 26 Asp HA . 25485 1 268 . 1 1 26 26 ASP HB2 H 1 2.369 0.000 . 2 . . . . 26 Asp HB2 . 25485 1 269 . 1 1 26 26 ASP HB3 H 1 2.685 0.009 . 2 . . . . 26 Asp HB3 . 25485 1 270 . 1 1 26 26 ASP C C 13 175.282 0.000 . 1 . . . . 26 Asp C . 25485 1 271 . 1 1 26 26 ASP CA C 13 52.438 0.207 . 1 . . . . 26 Asp CA . 25485 1 272 . 1 1 26 26 ASP CB C 13 41.343 0.097 . 1 . . . . 26 Asp CB . 25485 1 273 . 1 1 26 26 ASP N N 15 129.338 0.013 . 1 . . . . 26 Asp N . 25485 1 274 . 1 1 27 27 SER HB2 H 1 3.725 0.002 . 2 . . . . 27 Ser HB2 . 25485 1 275 . 1 1 27 27 SER HB3 H 1 4.075 0.003 . 2 . . . . 27 Ser HB3 . 25485 1 276 . 1 1 27 27 SER C C 13 175.196 0.031 . 1 . . . . 27 Ser C . 25485 1 277 . 1 1 27 27 SER CA C 13 59.330 0.365 . 1 . . . . 27 Ser CA . 25485 1 278 . 1 1 27 27 SER CB C 13 63.579 0.054 . 1 . . . . 27 Ser CB . 25485 1 279 . 1 1 28 28 GLU H H 1 8.255 0.013 . 1 . . . . 28 Glu H . 25485 1 280 . 1 1 28 28 GLU HA H 1 4.325 0.002 . 1 . . . . 28 Glu HA . 25485 1 281 . 1 1 28 28 GLU HB2 H 1 1.991 0.000 . 2 . . . . 28 Glu HB2 . 25485 1 282 . 1 1 28 28 GLU HB3 H 1 2.186 0.027 . 2 . . . . 28 Glu HB3 . 25485 1 283 . 1 1 28 28 GLU HG2 H 1 2.353 0.000 . 2 . . . . 28 Glu HG2 . 25485 1 284 . 1 1 28 28 GLU HG3 H 1 2.353 0.000 . 2 . . . . 28 Glu HG3 . 25485 1 285 . 1 1 28 28 GLU C C 13 177.073 0.001 . 1 . . . . 28 Glu C . 25485 1 286 . 1 1 28 28 GLU CA C 13 57.208 0.032 . 1 . . . . 28 Glu CA . 25485 1 287 . 1 1 28 28 GLU CB C 13 29.503 0.150 . 1 . . . . 28 Glu CB . 25485 1 288 . 1 1 28 28 GLU CG C 13 36.273 0.000 . 1 . . . . 28 Glu CG . 25485 1 289 . 1 1 28 28 GLU N N 15 122.058 0.041 . 1 . . . . 28 Glu N . 25485 1 290 . 1 1 29 29 THR H H 1 7.498 0.016 . 1 . . . . 29 Thr H . 25485 1 291 . 1 1 29 29 THR HA H 1 4.260 0.034 . 1 . . . . 29 Thr HA . 25485 1 292 . 1 1 29 29 THR HB H 1 4.217 0.018 . 1 . . . . 29 Thr HB . 25485 1 293 . 1 1 29 29 THR HG21 H 1 1.237 0.023 . 1 . . . . 29 Thr HG21 . 25485 1 294 . 1 1 29 29 THR HG22 H 1 1.237 0.023 . 1 . . . . 29 Thr HG22 . 25485 1 295 . 1 1 29 29 THR HG23 H 1 1.237 0.023 . 1 . . . . 29 Thr HG23 . 25485 1 296 . 1 1 29 29 THR C C 13 174.592 0.000 . 1 . . . . 29 Thr C . 25485 1 297 . 1 1 29 29 THR CA C 13 62.019 0.024 . 1 . . . . 29 Thr CA . 25485 1 298 . 1 1 29 29 THR CB C 13 69.383 0.042 . 1 . . . . 29 Thr CB . 25485 1 299 . 1 1 29 29 THR CG2 C 13 21.581 0.001 . 1 . . . . 29 Thr CG2 . 25485 1 300 . 1 1 29 29 THR N N 15 114.161 0.048 . 1 . . . . 29 Thr N . 25485 1 301 . 1 1 30 30 LYS H H 1 8.218 0.000 . 1 . . . . 30 Lys H . 25485 1 302 . 1 1 30 30 LYS HA H 1 4.218 0.000 . 1 . . . . 30 Lys HA . 25485 1 303 . 1 1 30 30 LYS HB2 H 1 1.352 0.000 . 2 . . . . 30 Lys HB2 . 25485 1 304 . 1 1 30 30 LYS HB3 H 1 1.352 0.000 . 2 . . . . 30 Lys HB3 . 25485 1 305 . 1 1 30 30 LYS HD2 H 1 1.844 0.000 . 2 . . . . 30 Lys HD2 . 25485 1 306 . 1 1 30 30 LYS HD3 H 1 1.844 0.000 . 2 . . . . 30 Lys HD3 . 25485 1 307 . 1 1 30 30 LYS N N 15 123.019 0.000 . 1 . . . . 30 Lys N . 25485 1 308 . 1 1 31 31 ASN HA H 1 4.424 0.000 . 1 . . . . 31 Asn HA . 25485 1 309 . 1 1 31 31 ASN HB2 H 1 2.724 0.000 . 2 . . . . 31 Asn HB2 . 25485 1 310 . 1 1 31 31 ASN HB3 H 1 2.806 0.000 . 2 . . . . 31 Asn HB3 . 25485 1 311 . 1 1 31 31 ASN CB C 13 39.153 0.012 . 1 . . . . 31 Asn CB . 25485 1 312 . 1 1 32 32 ALA H H 1 8.411 0.000 . 1 . . . . 32 Ala H . 25485 1 313 . 1 1 32 32 ALA HA H 1 4.296 0.016 . 1 . . . . 32 Ala HA . 25485 1 314 . 1 1 32 32 ALA HB1 H 1 1.476 0.015 . 1 . . . . 32 Ala HB1 . 25485 1 315 . 1 1 32 32 ALA HB2 H 1 1.476 0.015 . 1 . . . . 32 Ala HB2 . 25485 1 316 . 1 1 32 32 ALA HB3 H 1 1.476 0.015 . 1 . . . . 32 Ala HB3 . 25485 1 317 . 1 1 32 32 ALA C C 13 178.031 0.074 . 1 . . . . 32 Ala C . 25485 1 318 . 1 1 32 32 ALA CA C 13 53.790 0.093 . 1 . . . . 32 Ala CA . 25485 1 319 . 1 1 32 32 ALA CB C 13 18.802 0.095 . 1 . . . . 32 Ala CB . 25485 1 320 . 1 1 32 32 ALA N N 15 126.484 0.000 . 1 . . . . 32 Ala N . 25485 1 321 . 1 1 33 33 ASN H H 1 8.309 0.009 . 1 . . . . 33 Asn H . 25485 1 322 . 1 1 33 33 ASN HA H 1 4.698 0.000 . 1 . . . . 33 Asn HA . 25485 1 323 . 1 1 33 33 ASN HB2 H 1 2.869 0.010 . 2 . . . . 33 Asn HB2 . 25485 1 324 . 1 1 33 33 ASN HB3 H 1 2.869 0.010 . 2 . . . . 33 Asn HB3 . 25485 1 325 . 1 1 33 33 ASN HD21 H 1 7.616 0.000 . 1 . . . . 33 Asn HD21 . 25485 1 326 . 1 1 33 33 ASN C C 13 176.242 0.008 . 1 . . . . 33 Asn C . 25485 1 327 . 1 1 33 33 ASN CA C 13 54.135 0.275 . 1 . . . . 33 Asn CA . 25485 1 328 . 1 1 33 33 ASN CB C 13 38.594 0.084 . 1 . . . . 33 Asn CB . 25485 1 329 . 1 1 33 33 ASN N N 15 116.885 0.000 . 1 . . . . 33 Asn N . 25485 1 330 . 1 1 34 34 SER H H 1 8.123 0.040 . 1 . . . . 34 Ser H . 25485 1 331 . 1 1 34 34 SER HA H 1 4.544 0.010 . 1 . . . . 34 Ser HA . 25485 1 332 . 1 1 34 34 SER HB2 H 1 4.167 0.012 . 2 . . . . 34 Ser HB2 . 25485 1 333 . 1 1 34 34 SER HB3 H 1 4.209 0.035 . 2 . . . . 34 Ser HB3 . 25485 1 334 . 1 1 34 34 SER C C 13 175.257 0.012 . 1 . . . . 34 Ser C . 25485 1 335 . 1 1 34 34 SER CA C 13 59.603 0.079 . 1 . . . . 34 Ser CA . 25485 1 336 . 1 1 34 34 SER CB C 13 63.891 0.080 . 1 . . . . 34 Ser CB . 25485 1 337 . 1 1 34 34 SER N N 15 116.836 0.052 . 1 . . . . 34 Ser N . 25485 1 338 . 1 1 35 35 LEU H H 1 8.313 0.021 . 1 . . . . 35 Leu H . 25485 1 339 . 1 1 35 35 LEU HA H 1 3.576 0.013 . 1 . . . . 35 Leu HA . 25485 1 340 . 1 1 35 35 LEU HB2 H 1 1.624 0.056 . 2 . . . . 35 Leu HB2 . 25485 1 341 . 1 1 35 35 LEU HB3 H 1 1.578 0.054 . 2 . . . . 35 Leu HB3 . 25485 1 342 . 1 1 35 35 LEU HD11 H 1 0.373 0.033 . 2 . . . . 35 Leu HD11 . 25485 1 343 . 1 1 35 35 LEU HD12 H 1 0.373 0.033 . 2 . . . . 35 Leu HD12 . 25485 1 344 . 1 1 35 35 LEU HD13 H 1 0.373 0.033 . 2 . . . . 35 Leu HD13 . 25485 1 345 . 1 1 35 35 LEU C C 13 177.974 0.002 . 1 . . . . 35 Leu C . 25485 1 346 . 1 1 35 35 LEU CA C 13 58.516 0.058 . 1 . . . . 35 Leu CA . 25485 1 347 . 1 1 35 35 LEU CB C 13 40.640 0.077 . 1 . . . . 35 Leu CB . 25485 1 348 . 1 1 35 35 LEU CD1 C 13 23.887 0.158 . 2 . . . . 35 Leu CD1 . 25485 1 349 . 1 1 35 35 LEU N N 15 125.333 0.104 . 1 . . . . 35 Leu N . 25485 1 350 . 1 1 36 36 GLU H H 1 8.225 0.022 . 1 . . . . 36 Glu H . 25485 1 351 . 1 1 36 36 GLU HA H 1 3.914 0.024 . 1 . . . . 36 Glu HA . 25485 1 352 . 1 1 36 36 GLU HB2 H 1 2.091 0.025 . 2 . . . . 36 Glu HB2 . 25485 1 353 . 1 1 36 36 GLU HB3 H 1 2.168 0.015 . 2 . . . . 36 Glu HB3 . 25485 1 354 . 1 1 36 36 GLU HG2 H 1 2.124 0.043 . 2 . . . . 36 Glu HG2 . 25485 1 355 . 1 1 36 36 GLU HG3 H 1 2.403 0.014 . 2 . . . . 36 Glu HG3 . 25485 1 356 . 1 1 36 36 GLU C C 13 178.131 0.065 . 1 . . . . 36 Glu C . 25485 1 357 . 1 1 36 36 GLU CA C 13 59.687 0.143 . 1 . . . . 36 Glu CA . 25485 1 358 . 1 1 36 36 GLU CB C 13 29.373 0.073 . 1 . . . . 36 Glu CB . 25485 1 359 . 1 1 36 36 GLU CG C 13 36.367 0.015 . 1 . . . . 36 Glu CG . 25485 1 360 . 1 1 36 36 GLU N N 15 119.201 0.064 . 1 . . . . 36 Glu N . 25485 1 361 . 1 1 37 37 ALA H H 1 7.917 0.028 . 1 . . . . 37 Ala H . 25485 1 362 . 1 1 37 37 ALA HA H 1 4.079 0.011 . 1 . . . . 37 Ala HA . 25485 1 363 . 1 1 37 37 ALA HB1 H 1 1.638 0.024 . 1 . . . . 37 Ala HB1 . 25485 1 364 . 1 1 37 37 ALA HB2 H 1 1.638 0.024 . 1 . . . . 37 Ala HB2 . 25485 1 365 . 1 1 37 37 ALA HB3 H 1 1.638 0.024 . 1 . . . . 37 Ala HB3 . 25485 1 366 . 1 1 37 37 ALA C C 13 181.485 0.003 . 1 . . . . 37 Ala C . 25485 1 367 . 1 1 37 37 ALA CA C 13 55.440 0.039 . 1 . . . . 37 Ala CA . 25485 1 368 . 1 1 37 37 ALA CB C 13 18.142 0.069 . 1 . . . . 37 Ala CB . 25485 1 369 . 1 1 37 37 ALA N N 15 120.746 0.057 . 1 . . . . 37 Ala N . 25485 1 370 . 1 1 38 38 LYS H H 1 8.216 0.037 . 1 . . . . 38 Lys H . 25485 1 371 . 1 1 38 38 LYS HA H 1 4.331 0.022 . 1 . . . . 38 Lys HA . 25485 1 372 . 1 1 38 38 LYS HB2 H 1 1.998 0.041 . 2 . . . . 38 Lys HB2 . 25485 1 373 . 1 1 38 38 LYS HB3 H 1 1.995 0.038 . 2 . . . . 38 Lys HB3 . 25485 1 374 . 1 1 38 38 LYS C C 13 177.948 0.004 . 1 . . . . 38 Lys C . 25485 1 375 . 1 1 38 38 LYS CA C 13 57.698 0.032 . 1 . . . . 38 Lys CA . 25485 1 376 . 1 1 38 38 LYS CB C 13 31.776 0.032 . 1 . . . . 38 Lys CB . 25485 1 377 . 1 1 38 38 LYS N N 15 119.326 0.058 . 1 . . . . 38 Lys N . 25485 1 378 . 1 1 39 39 LEU H H 1 8.666 0.017 . 1 . . . . 39 Leu H . 25485 1 379 . 1 1 39 39 LEU HA H 1 3.941 0.025 . 1 . . . . 39 Leu HA . 25485 1 380 . 1 1 39 39 LEU HB2 H 1 1.509 0.026 . 2 . . . . 39 Leu HB2 . 25485 1 381 . 1 1 39 39 LEU HB3 H 1 1.711 0.034 . 2 . . . . 39 Leu HB3 . 25485 1 382 . 1 1 39 39 LEU HG H 1 1.265 0.057 . 1 . . . . 39 Leu HG . 25485 1 383 . 1 1 39 39 LEU HD11 H 1 0.440 0.010 . 1 . . . . 39 Leu HD11 . 25485 1 384 . 1 1 39 39 LEU HD12 H 1 0.440 0.010 . 1 . . . . 39 Leu HD12 . 25485 1 385 . 1 1 39 39 LEU HD13 H 1 0.440 0.010 . 1 . . . . 39 Leu HD13 . 25485 1 386 . 1 1 39 39 LEU HD21 H 1 0.609 0.030 . 1 . . . . 39 Leu HD21 . 25485 1 387 . 1 1 39 39 LEU HD22 H 1 0.609 0.030 . 1 . . . . 39 Leu HD22 . 25485 1 388 . 1 1 39 39 LEU HD23 H 1 0.609 0.030 . 1 . . . . 39 Leu HD23 . 25485 1 389 . 1 1 39 39 LEU C C 13 178.818 0.001 . 1 . . . . 39 Leu C . 25485 1 390 . 1 1 39 39 LEU CA C 13 58.063 0.019 . 1 . . . . 39 Leu CA . 25485 1 391 . 1 1 39 39 LEU CB C 13 40.588 0.082 . 1 . . . . 39 Leu CB . 25485 1 392 . 1 1 39 39 LEU CG C 13 26.947 0.000 . 1 . . . . 39 Leu CG . 25485 1 393 . 1 1 39 39 LEU CD1 C 13 24.439 0.018 . 1 . . . . 39 Leu CD1 . 25485 1 394 . 1 1 39 39 LEU CD2 C 13 25.137 0.000 . 1 . . . . 39 Leu CD2 . 25485 1 395 . 1 1 39 39 LEU N N 15 122.736 0.033 . 1 . . . . 39 Leu N . 25485 1 396 . 1 1 40 40 LYS H H 1 8.227 0.021 . 1 . . . . 40 Lys H . 25485 1 397 . 1 1 40 40 LYS HA H 1 4.638 0.000 . 1 . . . . 40 Lys HA . 25485 1 398 . 1 1 40 40 LYS HB2 H 1 1.719 0.017 . 2 . . . . 40 Lys HB2 . 25485 1 399 . 1 1 40 40 LYS HB3 H 1 2.100 0.034 . 2 . . . . 40 Lys HB3 . 25485 1 400 . 1 1 40 40 LYS C C 13 179.327 0.008 . 1 . . . . 40 Lys C . 25485 1 401 . 1 1 40 40 LYS CA C 13 60.185 0.027 . 1 . . . . 40 Lys CA . 25485 1 402 . 1 1 40 40 LYS CB C 13 31.897 0.049 . 1 . . . . 40 Lys CB . 25485 1 403 . 1 1 40 40 LYS N N 15 118.411 0.075 . 1 . . . . 40 Lys N . 25485 1 404 . 1 1 41 41 GLU H H 1 7.718 0.026 . 1 . . . . 41 Glu H . 25485 1 405 . 1 1 41 41 GLU HA H 1 4.093 0.021 . 1 . . . . 41 Glu HA . 25485 1 406 . 1 1 41 41 GLU HB2 H 1 2.433 0.006 . 2 . . . . 41 Glu HB2 . 25485 1 407 . 1 1 41 41 GLU HB3 H 1 2.479 0.026 . 2 . . . . 41 Glu HB3 . 25485 1 408 . 1 1 41 41 GLU HG2 H 1 2.500 0.019 . 2 . . . . 41 Glu HG2 . 25485 1 409 . 1 1 41 41 GLU HG3 H 1 2.689 0.025 . 2 . . . . 41 Glu HG3 . 25485 1 410 . 1 1 41 41 GLU C C 13 178.993 0.023 . 1 . . . . 41 Glu C . 25485 1 411 . 1 1 41 41 GLU CA C 13 59.827 0.100 . 1 . . . . 41 Glu CA . 25485 1 412 . 1 1 41 41 GLU CB C 13 29.821 0.059 . 1 . . . . 41 Glu CB . 25485 1 413 . 1 1 41 41 GLU CG C 13 36.728 0.037 . 1 . . . . 41 Glu CG . 25485 1 414 . 1 1 41 41 GLU N N 15 121.329 0.042 . 1 . . . . 41 Glu N . 25485 1 415 . 1 1 42 42 MET H H 1 7.657 0.022 . 1 . . . . 42 Met H . 25485 1 416 . 1 1 42 42 MET HA H 1 4.107 0.026 . 1 . . . . 42 Met HA . 25485 1 417 . 1 1 42 42 MET HB2 H 1 0.716 0.024 . 2 . . . . 42 Met HB2 . 25485 1 418 . 1 1 42 42 MET HB3 H 1 1.716 0.020 . 2 . . . . 42 Met HB3 . 25485 1 419 . 1 1 42 42 MET HG2 H 1 2.678 0.020 . 2 . . . . 42 Met HG2 . 25485 1 420 . 1 1 42 42 MET HG3 H 1 2.748 0.017 . 2 . . . . 42 Met HG3 . 25485 1 421 . 1 1 42 42 MET HE1 H 1 1.691 0.016 . 1 . . . . 42 Met HE1 . 25485 1 422 . 1 1 42 42 MET HE2 H 1 1.691 0.016 . 1 . . . . 42 Met HE2 . 25485 1 423 . 1 1 42 42 MET HE3 H 1 1.691 0.016 . 1 . . . . 42 Met HE3 . 25485 1 424 . 1 1 42 42 MET C C 13 177.718 0.004 . 1 . . . . 42 Met C . 25485 1 425 . 1 1 42 42 MET CA C 13 59.895 0.158 . 1 . . . . 42 Met CA . 25485 1 426 . 1 1 42 42 MET CB C 13 30.526 0.069 . 1 . . . . 42 Met CB . 25485 1 427 . 1 1 42 42 MET CG C 13 33.301 0.055 . 1 . . . . 42 Met CG . 25485 1 428 . 1 1 42 42 MET CE C 13 19.426 0.060 . 1 . . . . 42 Met CE . 25485 1 429 . 1 1 42 42 MET N N 15 123.817 0.072 . 1 . . . . 42 Met N . 25485 1 430 . 1 1 43 43 GLN H H 1 8.910 0.012 . 1 . . . . 43 Gln H . 25485 1 431 . 1 1 43 43 GLN HA H 1 3.805 0.010 . 1 . . . . 43 Gln HA . 25485 1 432 . 1 1 43 43 GLN HB2 H 1 1.997 0.038 . 2 . . . . 43 Gln HB2 . 25485 1 433 . 1 1 43 43 GLN HG2 H 1 2.103 0.013 . 2 . . . . 43 Gln HG2 . 25485 1 434 . 1 1 43 43 GLN HG3 H 1 2.582 0.037 . 2 . . . . 43 Gln HG3 . 25485 1 435 . 1 1 43 43 GLN HE21 H 1 5.834 0.038 . 1 . . . . 43 Gln HE21 . 25485 1 436 . 1 1 43 43 GLN HE22 H 1 6.524 0.034 . 1 . . . . 43 Gln HE22 . 25485 1 437 . 1 1 43 43 GLN C C 13 177.604 0.015 . 1 . . . . 43 Gln C . 25485 1 438 . 1 1 43 43 GLN CA C 13 59.954 0.076 . 1 . . . . 43 Gln CA . 25485 1 439 . 1 1 43 43 GLN CB C 13 26.567 0.089 . 1 . . . . 43 Gln CB . 25485 1 440 . 1 1 43 43 GLN CG C 13 34.652 0.005 . 1 . . . . 43 Gln CG . 25485 1 441 . 1 1 43 43 GLN N N 15 119.998 0.072 . 1 . . . . 43 Gln N . 25485 1 442 . 1 1 43 43 GLN NE2 N 15 110.209 0.174 . 1 . . . . 43 Gln NE2 . 25485 1 443 . 1 1 44 44 LYS H H 1 8.507 0.026 . 1 . . . . 44 Lys H . 25485 1 444 . 1 1 44 44 LYS HA H 1 4.055 0.009 . 1 . . . . 44 Lys HA . 25485 1 445 . 1 1 44 44 LYS HB2 H 1 1.935 0.037 . 2 . . . . 44 Lys HB2 . 25485 1 446 . 1 1 44 44 LYS HB3 H 1 2.122 0.029 . 2 . . . . 44 Lys HB3 . 25485 1 447 . 1 1 44 44 LYS HG2 H 1 0.954 0.021 . 2 . . . . 44 Lys HG2 . 25485 1 448 . 1 1 44 44 LYS HG3 H 1 0.954 0.021 . 2 . . . . 44 Lys HG3 . 25485 1 449 . 1 1 44 44 LYS HD2 H 1 1.585 0.018 . 2 . . . . 44 Lys HD2 . 25485 1 450 . 1 1 44 44 LYS HD3 H 1 1.585 0.018 . 2 . . . . 44 Lys HD3 . 25485 1 451 . 1 1 44 44 LYS HE2 H 1 2.448 0.000 . 2 . . . . 44 Lys HE2 . 25485 1 452 . 1 1 44 44 LYS HE3 H 1 2.448 0.000 . 2 . . . . 44 Lys HE3 . 25485 1 453 . 1 1 44 44 LYS C C 13 179.991 0.014 . 1 . . . . 44 Lys C . 25485 1 454 . 1 1 44 44 LYS CA C 13 59.529 0.027 . 1 . . . . 44 Lys CA . 25485 1 455 . 1 1 44 44 LYS CB C 13 32.321 0.060 . 1 . . . . 44 Lys CB . 25485 1 456 . 1 1 44 44 LYS N N 15 119.165 0.053 . 1 . . . . 44 Lys N . 25485 1 457 . 1 1 45 45 PHE H H 1 8.445 0.038 . 1 . . . . 45 Phe H . 25485 1 458 . 1 1 45 45 PHE HA H 1 3.901 0.017 . 1 . . . . 45 Phe HA . 25485 1 459 . 1 1 45 45 PHE HB2 H 1 3.380 0.017 . 2 . . . . 45 Phe HB2 . 25485 1 460 . 1 1 45 45 PHE HB3 H 1 3.615 0.012 . 2 . . . . 45 Phe HB3 . 25485 1 461 . 1 1 45 45 PHE HD1 H 1 6.447 0.022 . 1 . . . . 45 Phe HD1 . 25485 1 462 . 1 1 45 45 PHE HD2 H 1 6.447 0.022 . 1 . . . . 45 Phe HD2 . 25485 1 463 . 1 1 45 45 PHE HE1 H 1 6.723 0.012 . 1 . . . . 45 Phe HE1 . 25485 1 464 . 1 1 45 45 PHE HE2 H 1 6.723 0.012 . 1 . . . . 45 Phe HE2 . 25485 1 465 . 1 1 45 45 PHE C C 13 177.607 0.003 . 1 . . . . 45 Phe C . 25485 1 466 . 1 1 45 45 PHE CA C 13 63.037 0.034 . 1 . . . . 45 Phe CA . 25485 1 467 . 1 1 45 45 PHE CB C 13 39.839 0.155 . 1 . . . . 45 Phe CB . 25485 1 468 . 1 1 45 45 PHE CD1 C 13 131.981 0.083 . 1 . . . . 45 Phe CD1 . 25485 1 469 . 1 1 45 45 PHE CD2 C 13 131.981 0.083 . 1 . . . . 45 Phe CD2 . 25485 1 470 . 1 1 45 45 PHE CE1 C 13 130.083 0.030 . 1 . . . . 45 Phe CE1 . 25485 1 471 . 1 1 45 45 PHE CE2 C 13 130.083 0.030 . 1 . . . . 45 Phe CE2 . 25485 1 472 . 1 1 45 45 PHE N N 15 123.602 0.099 . 1 . . . . 45 Phe N . 25485 1 473 . 1 1 46 46 PHE H H 1 8.272 0.017 . 1 . . . . 46 Phe H . 25485 1 474 . 1 1 46 46 PHE HA H 1 4.597 0.015 . 1 . . . . 46 Phe HA . 25485 1 475 . 1 1 46 46 PHE HB2 H 1 2.878 0.020 . 2 . . . . 46 Phe HB2 . 25485 1 476 . 1 1 46 46 PHE HB3 H 1 3.607 0.022 . 2 . . . . 46 Phe HB3 . 25485 1 477 . 1 1 46 46 PHE HD1 H 1 7.887 0.012 . 1 . . . . 46 Phe HD1 . 25485 1 478 . 1 1 46 46 PHE HD2 H 1 7.887 0.012 . 1 . . . . 46 Phe HD2 . 25485 1 479 . 1 1 46 46 PHE HE1 H 1 7.340 0.030 . 1 . . . . 46 Phe HE1 . 25485 1 480 . 1 1 46 46 PHE HE2 H 1 7.340 0.030 . 1 . . . . 46 Phe HE2 . 25485 1 481 . 1 1 46 46 PHE C C 13 175.283 0.008 . 1 . . . . 46 Phe C . 25485 1 482 . 1 1 46 46 PHE CA C 13 60.669 0.054 . 1 . . . . 46 Phe CA . 25485 1 483 . 1 1 46 46 PHE CB C 13 39.456 0.118 . 1 . . . . 46 Phe CB . 25485 1 484 . 1 1 46 46 PHE CD1 C 13 131.826 0.077 . 1 . . . . 46 Phe CD1 . 25485 1 485 . 1 1 46 46 PHE CD2 C 13 131.826 0.077 . 1 . . . . 46 Phe CD2 . 25485 1 486 . 1 1 46 46 PHE CE1 C 13 132.094 0.007 . 1 . . . . 46 Phe CE1 . 25485 1 487 . 1 1 46 46 PHE CE2 C 13 132.094 0.007 . 1 . . . . 46 Phe CE2 . 25485 1 488 . 1 1 46 46 PHE N N 15 112.715 0.064 . 1 . . . . 46 Phe N . 25485 1 489 . 1 1 47 47 GLY H H 1 7.926 0.017 . 1 . . . . 47 Gly H . 25485 1 490 . 1 1 47 47 GLY HA2 H 1 3.986 0.018 . 1 . . . . 47 Gly HA2 . 25485 1 491 . 1 1 47 47 GLY HA3 H 1 3.986 0.018 . 1 . . . . 47 Gly HA3 . 25485 1 492 . 1 1 47 47 GLY C C 13 174.933 0.035 . 1 . . . . 47 Gly C . 25485 1 493 . 1 1 47 47 GLY CA C 13 47.007 0.036 . 1 . . . . 47 Gly CA . 25485 1 494 . 1 1 47 47 GLY N N 15 110.439 0.074 . 1 . . . . 47 Gly N . 25485 1 495 . 1 1 48 48 LEU H H 1 8.762 0.025 . 1 . . . . 48 Leu H . 25485 1 496 . 1 1 48 48 LEU HA H 1 4.924 0.000 . 1 . . . . 48 Leu HA . 25485 1 497 . 1 1 48 48 LEU HB2 H 1 1.464 0.021 . 2 . . . . 48 Leu HB2 . 25485 1 498 . 1 1 48 48 LEU HB3 H 1 1.694 0.015 . 2 . . . . 48 Leu HB3 . 25485 1 499 . 1 1 48 48 LEU HG H 1 1.706 0.022 . 1 . . . . 48 Leu HG . 25485 1 500 . 1 1 48 48 LEU HD11 H 1 0.906 0.027 . 2 . . . . 48 Leu HD11 . 25485 1 501 . 1 1 48 48 LEU HD12 H 1 0.906 0.027 . 2 . . . . 48 Leu HD12 . 25485 1 502 . 1 1 48 48 LEU HD13 H 1 0.906 0.027 . 2 . . . . 48 Leu HD13 . 25485 1 503 . 1 1 48 48 LEU HD21 H 1 0.882 0.026 . 1 . . . . 48 Leu HD21 . 25485 1 504 . 1 1 48 48 LEU HD22 H 1 0.882 0.026 . 1 . . . . 48 Leu HD22 . 25485 1 505 . 1 1 48 48 LEU HD23 H 1 0.882 0.026 . 1 . . . . 48 Leu HD23 . 25485 1 506 . 1 1 48 48 LEU C C 13 174.009 0.000 . 1 . . . . 48 Leu C . 25485 1 507 . 1 1 48 48 LEU CA C 13 51.826 0.137 . 1 . . . . 48 Leu CA . 25485 1 508 . 1 1 48 48 LEU CB C 13 41.463 0.075 . 1 . . . . 48 Leu CB . 25485 1 509 . 1 1 48 48 LEU CG C 13 25.763 0.039 . 1 . . . . 48 Leu CG . 25485 1 510 . 1 1 48 48 LEU CD1 C 13 25.883 0.111 . 1 . . . . 48 Leu CD1 . 25485 1 511 . 1 1 48 48 LEU CD2 C 13 22.128 0.129 . 1 . . . . 48 Leu CD2 . 25485 1 512 . 1 1 48 48 LEU N N 15 121.830 0.105 . 1 . . . . 48 Leu N . 25485 1 513 . 1 1 49 49 PRO HA H 1 4.239 0.023 . 1 . . . . 49 Pro HA . 25485 1 514 . 1 1 49 49 PRO HB2 H 1 1.693 0.024 . 2 . . . . 49 Pro HB2 . 25485 1 515 . 1 1 49 49 PRO HB3 H 1 1.693 0.024 . 2 . . . . 49 Pro HB3 . 25485 1 516 . 1 1 49 49 PRO HG2 H 1 1.865 0.005 . 2 . . . . 49 Pro HG2 . 25485 1 517 . 1 1 49 49 PRO HG3 H 1 1.865 0.005 . 2 . . . . 49 Pro HG3 . 25485 1 518 . 1 1 49 49 PRO C C 13 176.874 0.000 . 1 . . . . 49 Pro C . 25485 1 519 . 1 1 49 49 PRO CA C 13 63.518 0.058 . 1 . . . . 49 Pro CA . 25485 1 520 . 1 1 49 49 PRO CB C 13 31.124 0.110 . 1 . . . . 49 Pro CB . 25485 1 521 . 1 1 49 49 PRO CG C 13 26.870 0.007 . 1 . . . . 49 Pro CG . 25485 1 522 . 1 1 49 49 PRO CD C 13 50.406 0.000 . 1 . . . . 49 Pro CD . 25485 1 523 . 1 1 50 50 ILE H H 1 8.548 0.023 . 1 . . . . 50 Ile H . 25485 1 524 . 1 1 50 50 ILE HA H 1 4.101 0.026 . 1 . . . . 50 Ile HA . 25485 1 525 . 1 1 50 50 ILE HB H 1 1.933 0.008 . 1 . . . . 50 Ile HB . 25485 1 526 . 1 1 50 50 ILE HG12 H 1 0.985 0.019 . 2 . . . . 50 Ile HG12 . 25485 1 527 . 1 1 50 50 ILE HG13 H 1 1.925 0.021 . 2 . . . . 50 Ile HG13 . 25485 1 528 . 1 1 50 50 ILE HG21 H 1 1.030 0.015 . 1 . . . . 50 Ile HG21 . 25485 1 529 . 1 1 50 50 ILE HG22 H 1 1.030 0.015 . 1 . . . . 50 Ile HG22 . 25485 1 530 . 1 1 50 50 ILE HG23 H 1 1.030 0.015 . 1 . . . . 50 Ile HG23 . 25485 1 531 . 1 1 50 50 ILE HD11 H 1 0.977 0.027 . 1 . . . . 50 Ile HD11 . 25485 1 532 . 1 1 50 50 ILE HD12 H 1 0.977 0.027 . 1 . . . . 50 Ile HD12 . 25485 1 533 . 1 1 50 50 ILE HD13 H 1 0.977 0.027 . 1 . . . . 50 Ile HD13 . 25485 1 534 . 1 1 50 50 ILE C C 13 176.559 0.075 . 1 . . . . 50 Ile C . 25485 1 535 . 1 1 50 50 ILE CA C 13 60.939 0.038 . 1 . . . . 50 Ile CA . 25485 1 536 . 1 1 50 50 ILE CB C 13 36.373 0.041 . 1 . . . . 50 Ile CB . 25485 1 537 . 1 1 50 50 ILE CG1 C 13 26.874 0.125 . 1 . . . . 50 Ile CG1 . 25485 1 538 . 1 1 50 50 ILE CG2 C 13 18.702 0.053 . 1 . . . . 50 Ile CG2 . 25485 1 539 . 1 1 50 50 ILE CD1 C 13 13.717 0.057 . 1 . . . . 50 Ile CD1 . 25485 1 540 . 1 1 50 50 ILE N N 15 126.859 0.073 . 1 . . . . 50 Ile N . 25485 1 541 . 1 1 51 51 THR H H 1 8.001 0.031 . 1 . . . . 51 Thr H . 25485 1 542 . 1 1 51 51 THR HA H 1 4.584 0.017 . 1 . . . . 51 Thr HA . 25485 1 543 . 1 1 51 51 THR HB H 1 4.361 0.006 . 1 . . . . 51 Thr HB . 25485 1 544 . 1 1 51 51 THR HG21 H 1 1.088 0.027 . 1 . . . . 51 Thr HG21 . 25485 1 545 . 1 1 51 51 THR HG22 H 1 1.088 0.027 . 1 . . . . 51 Thr HG22 . 25485 1 546 . 1 1 51 51 THR HG23 H 1 1.088 0.027 . 1 . . . . 51 Thr HG23 . 25485 1 547 . 1 1 51 51 THR C C 13 176.665 0.036 . 1 . . . . 51 Thr C . 25485 1 548 . 1 1 51 51 THR CA C 13 60.966 0.016 . 1 . . . . 51 Thr CA . 25485 1 549 . 1 1 51 51 THR CB C 13 71.510 0.032 . 1 . . . . 51 Thr CB . 25485 1 550 . 1 1 51 51 THR CG2 C 13 20.864 0.062 . 1 . . . . 51 Thr CG2 . 25485 1 551 . 1 1 51 51 THR N N 15 116.443 0.121 . 1 . . . . 51 Thr N . 25485 1 552 . 1 1 52 52 GLY H H 1 9.499 0.029 . 1 . . . . 52 Gly H . 25485 1 553 . 1 1 52 52 GLY HA2 H 1 3.422 0.016 . 1 . . . . 52 Gly HA2 . 25485 1 554 . 1 1 52 52 GLY HA3 H 1 4.082 0.027 . 1 . . . . 52 Gly HA3 . 25485 1 555 . 1 1 52 52 GLY C C 13 170.604 0.030 . 1 . . . . 52 Gly C . 25485 1 556 . 1 1 52 52 GLY CA C 13 46.760 0.095 . 1 . . . . 52 Gly CA . 25485 1 557 . 1 1 52 52 GLY N N 15 112.719 0.033 . 1 . . . . 52 Gly N . 25485 1 558 . 1 1 53 53 MET H H 1 7.993 0.029 . 1 . . . . 53 Met H . 25485 1 559 . 1 1 53 53 MET HA H 1 4.023 0.005 . 1 . . . . 53 Met HA . 25485 1 560 . 1 1 53 53 MET HB2 H 1 1.819 0.020 . 2 . . . . 53 Met HB2 . 25485 1 561 . 1 1 53 53 MET HB3 H 1 2.077 0.020 . 2 . . . . 53 Met HB3 . 25485 1 562 . 1 1 53 53 MET HG2 H 1 2.545 0.019 . 2 . . . . 53 Met HG2 . 25485 1 563 . 1 1 53 53 MET HG3 H 1 2.545 0.019 . 2 . . . . 53 Met HG3 . 25485 1 564 . 1 1 53 53 MET HE1 H 1 2.118 0.055 . 1 . . . . 53 Met HE1 . 25485 1 565 . 1 1 53 53 MET HE2 H 1 2.118 0.055 . 1 . . . . 53 Met HE2 . 25485 1 566 . 1 1 53 53 MET HE3 H 1 2.118 0.055 . 1 . . . . 53 Met HE3 . 25485 1 567 . 1 1 53 53 MET C C 13 174.693 0.006 . 1 . . . . 53 Met C . 25485 1 568 . 1 1 53 53 MET CA C 13 53.464 0.058 . 1 . . . . 53 Met CA . 25485 1 569 . 1 1 53 53 MET CB C 13 35.361 0.125 . 1 . . . . 53 Met CB . 25485 1 570 . 1 1 53 53 MET CG C 13 31.678 0.042 . 1 . . . . 53 Met CG . 25485 1 571 . 1 1 53 53 MET CE C 13 17.496 0.000 . 1 . . . . 53 Met CE . 25485 1 572 . 1 1 53 53 MET N N 15 116.621 0.158 . 1 . . . . 53 Met N . 25485 1 573 . 1 1 54 54 LEU H H 1 7.941 0.033 . 1 . . . . 54 Leu H . 25485 1 574 . 1 1 54 54 LEU HA H 1 3.751 0.026 . 1 . . . . 54 Leu HA . 25485 1 575 . 1 1 54 54 LEU HB2 H 1 1.183 0.014 . 2 . . . . 54 Leu HB2 . 25485 1 576 . 1 1 54 54 LEU HB3 H 1 1.728 0.008 . 2 . . . . 54 Leu HB3 . 25485 1 577 . 1 1 54 54 LEU HG H 1 1.086 0.018 . 1 . . . . 54 Leu HG . 25485 1 578 . 1 1 54 54 LEU HD11 H 1 0.274 0.023 . 1 . . . . 54 Leu HD11 . 25485 1 579 . 1 1 54 54 LEU HD12 H 1 0.274 0.023 . 1 . . . . 54 Leu HD12 . 25485 1 580 . 1 1 54 54 LEU HD13 H 1 0.274 0.023 . 1 . . . . 54 Leu HD13 . 25485 1 581 . 1 1 54 54 LEU HD21 H 1 0.005 0.009 . 1 . . . . 54 Leu HD21 . 25485 1 582 . 1 1 54 54 LEU HD22 H 1 0.005 0.009 . 1 . . . . 54 Leu HD22 . 25485 1 583 . 1 1 54 54 LEU HD23 H 1 0.005 0.009 . 1 . . . . 54 Leu HD23 . 25485 1 584 . 1 1 54 54 LEU C C 13 174.778 0.033 . 1 . . . . 54 Leu C . 25485 1 585 . 1 1 54 54 LEU CA C 13 55.216 0.085 . 1 . . . . 54 Leu CA . 25485 1 586 . 1 1 54 54 LEU CB C 13 42.000 0.080 . 1 . . . . 54 Leu CB . 25485 1 587 . 1 1 54 54 LEU CG C 13 26.038 0.038 . 1 . . . . 54 Leu CG . 25485 1 588 . 1 1 54 54 LEU CD1 C 13 24.032 0.076 . 1 . . . . 54 Leu CD1 . 25485 1 589 . 1 1 54 54 LEU CD2 C 13 23.905 0.143 . 1 . . . . 54 Leu CD2 . 25485 1 590 . 1 1 54 54 LEU N N 15 122.679 0.000 . 1 . . . . 54 Leu N . 25485 1 591 . 1 1 55 55 ASN H H 1 6.547 0.025 . 1 . . . . 55 Asn H . 25485 1 592 . 1 1 55 55 ASN HA H 1 4.749 0.000 . 1 . . . . 55 Asn HA . 25485 1 593 . 1 1 55 55 ASN HB2 H 1 3.139 0.000 . 2 . . . . 55 Asn HB2 . 25485 1 594 . 1 1 55 55 ASN HB3 H 1 3.139 0.000 . 2 . . . . 55 Asn HB3 . 25485 1 595 . 1 1 55 55 ASN HD21 H 1 6.497 0.000 . 1 . . . . 55 Asn HD21 . 25485 1 596 . 1 1 55 55 ASN HD22 H 1 7.342 0.013 . 1 . . . . 55 Asn HD22 . 25485 1 597 . 1 1 55 55 ASN C C 13 175.459 0.000 . 1 . . . . 55 Asn C . 25485 1 598 . 1 1 55 55 ASN CA C 13 51.847 0.236 . 1 . . . . 55 Asn CA . 25485 1 599 . 1 1 55 55 ASN CB C 13 40.336 0.143 . 1 . . . . 55 Asn CB . 25485 1 600 . 1 1 55 55 ASN N N 15 115.797 0.186 . 1 . . . . 55 Asn N . 25485 1 601 . 1 1 55 55 ASN ND2 N 15 110.004 0.037 . 1 . . . . 55 Asn ND2 . 25485 1 602 . 1 1 56 56 SER H H 1 8.213 0.009 . 1 . . . . 56 Ser H . 25485 1 603 . 1 1 56 56 SER HA H 1 4.638 0.000 . 1 . . . . 56 Ser HA . 25485 1 604 . 1 1 56 56 SER HB2 H 1 3.908 0.045 . 2 . . . . 56 Ser HB2 . 25485 1 605 . 1 1 56 56 SER HB3 H 1 3.908 0.045 . 2 . . . . 56 Ser HB3 . 25485 1 606 . 1 1 56 56 SER C C 13 175.727 0.000 . 1 . . . . 56 Ser C . 25485 1 607 . 1 1 56 56 SER CA C 13 57.937 0.000 . 1 . . . . 56 Ser CA . 25485 1 608 . 1 1 56 56 SER CB C 13 63.862 0.007 . 1 . . . . 56 Ser CB . 25485 1 609 . 1 1 56 56 SER N N 15 121.507 0.086 . 1 . . . . 56 Ser N . 25485 1 610 . 1 1 57 57 ARG H H 1 7.895 0.025 . 1 . . . . 57 Arg H . 25485 1 611 . 1 1 57 57 ARG HA H 1 4.201 0.004 . 1 . . . . 57 Arg HA . 25485 1 612 . 1 1 57 57 ARG HB2 H 1 1.949 0.020 . 2 . . . . 57 Arg HB2 . 25485 1 613 . 1 1 57 57 ARG HB3 H 1 1.945 0.015 . 2 . . . . 57 Arg HB3 . 25485 1 614 . 1 1 57 57 ARG HG2 H 1 1.722 0.027 . 2 . . . . 57 Arg HG2 . 25485 1 615 . 1 1 57 57 ARG HG3 H 1 1.719 0.029 . 2 . . . . 57 Arg HG3 . 25485 1 616 . 1 1 57 57 ARG HD2 H 1 3.382 0.012 . 2 . . . . 57 Arg HD2 . 25485 1 617 . 1 1 57 57 ARG HD3 H 1 3.239 0.000 . 2 . . . . 57 Arg HD3 . 25485 1 618 . 1 1 57 57 ARG C C 13 178.561 0.011 . 1 . . . . 57 Arg C . 25485 1 619 . 1 1 57 57 ARG CA C 13 58.412 0.154 . 1 . . . . 57 Arg CA . 25485 1 620 . 1 1 57 57 ARG CB C 13 29.047 0.139 . 1 . . . . 57 Arg CB . 25485 1 621 . 1 1 57 57 ARG CG C 13 27.080 0.045 . 1 . . . . 57 Arg CG . 25485 1 622 . 1 1 57 57 ARG CD C 13 42.759 0.000 . 1 . . . . 57 Arg CD . 25485 1 623 . 1 1 57 57 ARG N N 15 122.951 0.182 . 1 . . . . 57 Arg N . 25485 1 624 . 1 1 57 57 ARG NE N 15 115.240 0.060 . 1 . . . . 57 Arg NE . 25485 1 625 . 1 1 58 58 VAL H H 1 7.582 0.023 . 1 . . . . 58 Val H . 25485 1 626 . 1 1 58 58 VAL HA H 1 3.331 0.017 . 1 . . . . 58 Val HA . 25485 1 627 . 1 1 58 58 VAL HB H 1 2.039 0.028 . 1 . . . . 58 Val HB . 25485 1 628 . 1 1 58 58 VAL HG11 H 1 0.848 0.032 . 1 . . . . 58 Val HG11 . 25485 1 629 . 1 1 58 58 VAL HG12 H 1 0.848 0.032 . 1 . . . . 58 Val HG12 . 25485 1 630 . 1 1 58 58 VAL HG13 H 1 0.848 0.032 . 1 . . . . 58 Val HG13 . 25485 1 631 . 1 1 58 58 VAL HG21 H 1 1.097 0.027 . 1 . . . . 58 Val HG21 . 25485 1 632 . 1 1 58 58 VAL HG22 H 1 1.097 0.027 . 1 . . . . 58 Val HG22 . 25485 1 633 . 1 1 58 58 VAL HG23 H 1 1.097 0.027 . 1 . . . . 58 Val HG23 . 25485 1 634 . 1 1 58 58 VAL C C 13 177.369 0.002 . 1 . . . . 58 Val C . 25485 1 635 . 1 1 58 58 VAL CA C 13 66.368 0.042 . 1 . . . . 58 Val CA . 25485 1 636 . 1 1 58 58 VAL CB C 13 32.192 0.047 . 1 . . . . 58 Val CB . 25485 1 637 . 1 1 58 58 VAL CG1 C 13 22.041 0.000 . 1 . . . . 58 Val CG1 . 25485 1 638 . 1 1 58 58 VAL CG2 C 13 23.003 0.054 . 1 . . . . 58 Val CG2 . 25485 1 639 . 1 1 58 58 VAL N N 15 118.764 0.161 . 1 . . . . 58 Val N . 25485 1 640 . 1 1 59 59 ILE H H 1 7.323 0.026 . 1 . . . . 59 Ile H . 25485 1 641 . 1 1 59 59 ILE HA H 1 3.413 0.019 . 1 . . . . 59 Ile HA . 25485 1 642 . 1 1 59 59 ILE HB H 1 1.821 0.037 . 1 . . . . 59 Ile HB . 25485 1 643 . 1 1 59 59 ILE HG12 H 1 1.119 0.040 . 2 . . . . 59 Ile HG12 . 25485 1 644 . 1 1 59 59 ILE HG13 H 1 1.254 0.020 . 2 . . . . 59 Ile HG13 . 25485 1 645 . 1 1 59 59 ILE HG21 H 1 0.760 0.033 . 1 . . . . 59 Ile HG21 . 25485 1 646 . 1 1 59 59 ILE HG22 H 1 0.760 0.033 . 1 . . . . 59 Ile HG22 . 25485 1 647 . 1 1 59 59 ILE HG23 H 1 0.760 0.033 . 1 . . . . 59 Ile HG23 . 25485 1 648 . 1 1 59 59 ILE HD11 H 1 0.622 0.028 . 1 . . . . 59 Ile HD11 . 25485 1 649 . 1 1 59 59 ILE HD12 H 1 0.622 0.028 . 1 . . . . 59 Ile HD12 . 25485 1 650 . 1 1 59 59 ILE HD13 H 1 0.622 0.028 . 1 . . . . 59 Ile HD13 . 25485 1 651 . 1 1 59 59 ILE C C 13 177.072 0.020 . 1 . . . . 59 Ile C . 25485 1 652 . 1 1 59 59 ILE CA C 13 63.627 0.081 . 1 . . . . 59 Ile CA . 25485 1 653 . 1 1 59 59 ILE CB C 13 36.637 0.067 . 1 . . . . 59 Ile CB . 25485 1 654 . 1 1 59 59 ILE CG1 C 13 27.682 0.255 . 1 . . . . 59 Ile CG1 . 25485 1 655 . 1 1 59 59 ILE CG2 C 13 16.979 0.018 . 1 . . . . 59 Ile CG2 . 25485 1 656 . 1 1 59 59 ILE CD1 C 13 10.998 0.172 . 1 . . . . 59 Ile CD1 . 25485 1 657 . 1 1 59 59 ILE N N 15 119.159 0.026 . 1 . . . . 59 Ile N . 25485 1 658 . 1 1 60 60 GLU H H 1 7.879 0.028 . 1 . . . . 60 Glu H . 25485 1 659 . 1 1 60 60 GLU HA H 1 3.738 0.024 . 1 . . . . 60 Glu HA . 25485 1 660 . 1 1 60 60 GLU HB2 H 1 0.605 0.031 . 2 . . . . 60 Glu HB2 . 25485 1 661 . 1 1 60 60 GLU HB3 H 1 0.643 0.025 . 2 . . . . 60 Glu HB3 . 25485 1 662 . 1 1 60 60 GLU C C 13 179.975 0.020 . 1 . . . . 60 Glu C . 25485 1 663 . 1 1 60 60 GLU CA C 13 59.252 0.081 . 1 . . . . 60 Glu CA . 25485 1 664 . 1 1 60 60 GLU CB C 13 29.353 0.230 . 1 . . . . 60 Glu CB . 25485 1 665 . 1 1 60 60 GLU CG C 13 43.684 0.000 . 1 . . . . 60 Glu CG . 25485 1 666 . 1 1 60 60 GLU N N 15 119.367 0.163 . 1 . . . . 60 Glu N . 25485 1 667 . 1 1 61 61 ILE H H 1 7.247 0.052 . 1 . . . . 61 Ile H . 25485 1 668 . 1 1 61 61 ILE HA H 1 3.439 0.018 . 1 . . . . 61 Ile HA . 25485 1 669 . 1 1 61 61 ILE HB H 1 1.511 0.019 . 1 . . . . 61 Ile HB . 25485 1 670 . 1 1 61 61 ILE HG12 H 1 1.139 0.017 . 2 . . . . 61 Ile HG12 . 25485 1 671 . 1 1 61 61 ILE HG13 H 1 1.355 0.009 . 2 . . . . 61 Ile HG13 . 25485 1 672 . 1 1 61 61 ILE HG21 H 1 -0.161 0.020 . 1 . . . . 61 Ile HG21 . 25485 1 673 . 1 1 61 61 ILE HG22 H 1 -0.161 0.020 . 1 . . . . 61 Ile HG22 . 25485 1 674 . 1 1 61 61 ILE HG23 H 1 -0.161 0.020 . 1 . . . . 61 Ile HG23 . 25485 1 675 . 1 1 61 61 ILE HD11 H 1 0.707 0.014 . 1 . . . . 61 Ile HD11 . 25485 1 676 . 1 1 61 61 ILE HD12 H 1 0.707 0.014 . 1 . . . . 61 Ile HD12 . 25485 1 677 . 1 1 61 61 ILE HD13 H 1 0.707 0.014 . 1 . . . . 61 Ile HD13 . 25485 1 678 . 1 1 61 61 ILE C C 13 179.033 0.000 . 1 . . . . 61 Ile C . 25485 1 679 . 1 1 61 61 ILE CA C 13 64.825 0.134 . 1 . . . . 61 Ile CA . 25485 1 680 . 1 1 61 61 ILE CB C 13 36.887 0.111 . 1 . . . . 61 Ile CB . 25485 1 681 . 1 1 61 61 ILE CG1 C 13 27.909 0.054 . 1 . . . . 61 Ile CG1 . 25485 1 682 . 1 1 61 61 ILE CG2 C 13 16.105 0.049 . 1 . . . . 61 Ile CG2 . 25485 1 683 . 1 1 61 61 ILE CD1 C 13 12.697 0.087 . 1 . . . . 61 Ile CD1 . 25485 1 684 . 1 1 61 61 ILE N N 15 118.824 0.096 . 1 . . . . 61 Ile N . 25485 1 685 . 1 1 62 62 MET H H 1 7.835 0.034 . 1 . . . . 62 Met H . 25485 1 686 . 1 1 62 62 MET HA H 1 3.445 0.029 . 1 . . . . 62 Met HA . 25485 1 687 . 1 1 62 62 MET HB2 H 1 1.505 0.019 . 2 . . . . 62 Met HB2 . 25485 1 688 . 1 1 62 62 MET HB3 H 1 1.735 0.035 . 2 . . . . 62 Met HB3 . 25485 1 689 . 1 1 62 62 MET HG2 H 1 0.382 0.032 . 2 . . . . 62 Met HG2 . 25485 1 690 . 1 1 62 62 MET HG3 H 1 2.350 0.022 . 2 . . . . 62 Met HG3 . 25485 1 691 . 1 1 62 62 MET HE1 H 1 1.724 0.017 . 1 . . . . 62 Met HE1 . 25485 1 692 . 1 1 62 62 MET HE2 H 1 1.724 0.017 . 1 . . . . 62 Met HE2 . 25485 1 693 . 1 1 62 62 MET HE3 H 1 1.724 0.017 . 1 . . . . 62 Met HE3 . 25485 1 694 . 1 1 62 62 MET C C 13 176.177 0.031 . 1 . . . . 62 Met C . 25485 1 695 . 1 1 62 62 MET CA C 13 58.978 0.088 . 1 . . . . 62 Met CA . 25485 1 696 . 1 1 62 62 MET CB C 13 31.256 0.048 . 1 . . . . 62 Met CB . 25485 1 697 . 1 1 62 62 MET CG C 13 32.998 0.055 . 1 . . . . 62 Met CG . 25485 1 698 . 1 1 62 62 MET CE C 13 17.500 0.071 . 1 . . . . 62 Met CE . 25485 1 699 . 1 1 62 62 MET N N 15 119.986 0.067 . 1 . . . . 62 Met N . 25485 1 700 . 1 1 63 63 GLN H H 1 7.454 0.022 . 1 . . . . 63 Gln H . 25485 1 701 . 1 1 63 63 GLN HA H 1 4.278 0.030 . 1 . . . . 63 Gln HA . 25485 1 702 . 1 1 63 63 GLN HB2 H 1 2.043 0.032 . 2 . . . . 63 Gln HB2 . 25485 1 703 . 1 1 63 63 GLN HB3 H 1 2.208 0.006 . 2 . . . . 63 Gln HB3 . 25485 1 704 . 1 1 63 63 GLN HG2 H 1 2.372 0.009 . 2 . . . . 63 Gln HG2 . 25485 1 705 . 1 1 63 63 GLN HG3 H 1 2.526 0.023 . 2 . . . . 63 Gln HG3 . 25485 1 706 . 1 1 63 63 GLN HE21 H 1 6.648 0.000 . 1 . . . . 63 Gln HE21 . 25485 1 707 . 1 1 63 63 GLN HE22 H 1 7.484 0.016 . 1 . . . . 63 Gln HE22 . 25485 1 708 . 1 1 63 63 GLN C C 13 176.727 0.002 . 1 . . . . 63 Gln C . 25485 1 709 . 1 1 63 63 GLN CA C 13 56.133 0.030 . 1 . . . . 63 Gln CA . 25485 1 710 . 1 1 63 63 GLN CB C 13 28.995 0.069 . 1 . . . . 63 Gln CB . 25485 1 711 . 1 1 63 63 GLN CG C 13 33.950 0.072 . 1 . . . . 63 Gln CG . 25485 1 712 . 1 1 63 63 GLN CD C 13 180.448 0.000 . 1 . . . . 63 Gln CD . 25485 1 713 . 1 1 63 63 GLN N N 15 114.565 0.063 . 1 . . . . 63 Gln N . 25485 1 714 . 1 1 63 63 GLN NE2 N 15 110.800 0.000 . 1 . . . . 63 Gln NE2 . 25485 1 715 . 1 1 64 64 LYS H H 1 7.483 0.019 . 1 . . . . 64 Lys H . 25485 1 716 . 1 1 64 64 LYS HA H 1 4.543 0.019 . 1 . . . . 64 Lys HA . 25485 1 717 . 1 1 64 64 LYS HG2 H 1 1.900 0.018 . 2 . . . . 64 Lys HG2 . 25485 1 718 . 1 1 64 64 LYS HG3 H 1 1.940 0.013 . 2 . . . . 64 Lys HG3 . 25485 1 719 . 1 1 64 64 LYS HE2 H 1 2.992 0.017 . 2 . . . . 64 Lys HE2 . 25485 1 720 . 1 1 64 64 LYS HE3 H 1 2.988 0.014 . 2 . . . . 64 Lys HE3 . 25485 1 721 . 1 1 64 64 LYS C C 13 174.724 0.000 . 1 . . . . 64 Lys C . 25485 1 722 . 1 1 64 64 LYS CA C 13 55.434 0.027 . 1 . . . . 64 Lys CA . 25485 1 723 . 1 1 64 64 LYS CB C 13 31.580 0.055 . 1 . . . . 64 Lys CB . 25485 1 724 . 1 1 64 64 LYS CG C 13 24.839 0.095 . 1 . . . . 64 Lys CG . 25485 1 725 . 1 1 64 64 LYS CD C 13 29.410 0.000 . 1 . . . . 64 Lys CD . 25485 1 726 . 1 1 64 64 LYS CE C 13 42.082 0.000 . 1 . . . . 64 Lys CE . 25485 1 727 . 1 1 64 64 LYS N N 15 121.441 0.147 . 1 . . . . 64 Lys N . 25485 1 728 . 1 1 65 65 PRO HA H 1 2.436 0.007 . 1 . . . . 65 Pro HA . 25485 1 729 . 1 1 65 65 PRO HB2 H 1 1.741 0.045 . 2 . . . . 65 Pro HB2 . 25485 1 730 . 1 1 65 65 PRO HB3 H 1 1.832 0.018 . 2 . . . . 65 Pro HB3 . 25485 1 731 . 1 1 65 65 PRO HD2 H 1 3.808 0.033 . 2 . . . . 65 Pro HD2 . 25485 1 732 . 1 1 65 65 PRO HD3 H 1 4.132 0.009 . 2 . . . . 65 Pro HD3 . 25485 1 733 . 1 1 65 65 PRO C C 13 176.157 0.004 . 1 . . . . 65 Pro C . 25485 1 734 . 1 1 65 65 PRO CA C 13 62.856 0.056 . 1 . . . . 65 Pro CA . 25485 1 735 . 1 1 65 65 PRO CB C 13 31.775 0.044 . 1 . . . . 65 Pro CB . 25485 1 736 . 1 1 65 65 PRO CG C 13 26.653 0.000 . 1 . . . . 65 Pro CG . 25485 1 737 . 1 1 65 65 PRO CD C 13 50.565 0.148 . 1 . . . . 65 Pro CD . 25485 1 738 . 1 1 66 66 ARG H H 1 8.145 0.019 . 1 . . . . 66 Arg H . 25485 1 739 . 1 1 66 66 ARG HA H 1 4.408 0.012 . 1 . . . . 66 Arg HA . 25485 1 740 . 1 1 66 66 ARG HB2 H 1 1.608 0.037 . 2 . . . . 66 Arg HB2 . 25485 1 741 . 1 1 66 66 ARG HB3 H 1 1.627 0.036 . 2 . . . . 66 Arg HB3 . 25485 1 742 . 1 1 66 66 ARG HE H 1 6.321 0.004 . 1 . . . . 66 Arg HE . 25485 1 743 . 1 1 66 66 ARG C C 13 174.476 0.009 . 1 . . . . 66 Arg C . 25485 1 744 . 1 1 66 66 ARG CA C 13 54.642 0.024 . 1 . . . . 66 Arg CA . 25485 1 745 . 1 1 66 66 ARG CB C 13 34.225 0.171 . 1 . . . . 66 Arg CB . 25485 1 746 . 1 1 66 66 ARG CG C 13 29.037 0.000 . 1 . . . . 66 Arg CG . 25485 1 747 . 1 1 66 66 ARG CD C 13 41.979 0.000 . 1 . . . . 66 Arg CD . 25485 1 748 . 1 1 66 66 ARG N N 15 112.692 0.210 . 1 . . . . 66 Arg N . 25485 1 749 . 1 1 66 66 ARG NE N 15 112.306 0.022 . 1 . . . . 66 Arg NE . 25485 1 750 . 1 1 67 67 CYS H H 1 7.754 0.029 . 1 . . . . 67 Cys H . 25485 1 751 . 1 1 67 67 CYS HA H 1 4.440 0.032 . 1 . . . . 67 Cys HA . 25485 1 752 . 1 1 67 67 CYS HB2 H 1 2.838 0.042 . 2 . . . . 67 Cys HB2 . 25485 1 753 . 1 1 67 67 CYS HB3 H 1 2.849 0.042 . 2 . . . . 67 Cys HB3 . 25485 1 754 . 1 1 67 67 CYS C C 13 175.657 0.010 . 1 . . . . 67 Cys C . 25485 1 755 . 1 1 67 67 CYS CA C 13 59.116 0.069 . 1 . . . . 67 Cys CA . 25485 1 756 . 1 1 67 67 CYS CB C 13 30.176 0.161 . 1 . . . . 67 Cys CB . 25485 1 757 . 1 1 67 67 CYS N N 15 121.732 0.015 . 1 . . . . 67 Cys N . 25485 1 758 . 1 1 68 68 GLY H H 1 9.704 0.021 . 1 . . . . 68 Gly H . 25485 1 759 . 1 1 68 68 GLY HA2 H 1 4.377 0.011 . 1 . . . . 68 Gly HA2 . 25485 1 760 . 1 1 68 68 GLY HA3 H 1 4.377 0.011 . 1 . . . . 68 Gly HA3 . 25485 1 761 . 1 1 68 68 GLY C C 13 172.213 0.018 . 1 . . . . 68 Gly C . 25485 1 762 . 1 1 68 68 GLY CA C 13 46.566 0.025 . 1 . . . . 68 Gly CA . 25485 1 763 . 1 1 68 68 GLY N N 15 116.217 0.063 . 1 . . . . 68 Gly N . 25485 1 764 . 1 1 69 69 VAL H H 1 9.112 0.022 . 1 . . . . 69 Val H . 25485 1 765 . 1 1 69 69 VAL HA H 1 3.831 0.041 . 1 . . . . 69 Val HA . 25485 1 766 . 1 1 69 69 VAL HB H 1 1.776 0.020 . 1 . . . . 69 Val HB . 25485 1 767 . 1 1 69 69 VAL HG11 H 1 0.681 0.029 . 1 . . . . 69 Val HG11 . 25485 1 768 . 1 1 69 69 VAL HG12 H 1 0.681 0.029 . 1 . . . . 69 Val HG12 . 25485 1 769 . 1 1 69 69 VAL HG13 H 1 0.681 0.029 . 1 . . . . 69 Val HG13 . 25485 1 770 . 1 1 69 69 VAL HG21 H 1 0.327 0.029 . 1 . . . . 69 Val HG21 . 25485 1 771 . 1 1 69 69 VAL HG22 H 1 0.327 0.029 . 1 . . . . 69 Val HG22 . 25485 1 772 . 1 1 69 69 VAL HG23 H 1 0.327 0.029 . 1 . . . . 69 Val HG23 . 25485 1 773 . 1 1 69 69 VAL C C 13 173.538 0.000 . 1 . . . . 69 Val C . 25485 1 774 . 1 1 69 69 VAL CA C 13 61.381 0.037 . 1 . . . . 69 Val CA . 25485 1 775 . 1 1 69 69 VAL CB C 13 32.489 0.081 . 1 . . . . 69 Val CB . 25485 1 776 . 1 1 69 69 VAL CG1 C 13 19.882 0.062 . 1 . . . . 69 Val CG1 . 25485 1 777 . 1 1 69 69 VAL CG2 C 13 22.403 0.095 . 1 . . . . 69 Val CG2 . 25485 1 778 . 1 1 69 69 VAL N N 15 126.358 0.135 . 1 . . . . 69 Val N . 25485 1 779 . 1 1 70 70 PRO HA H 1 4.950 0.000 . 1 . . . . 70 Pro HA . 25485 1 780 . 1 1 70 70 PRO HB2 H 1 1.753 0.033 . 2 . . . . 70 Pro HB2 . 25485 1 781 . 1 1 70 70 PRO HB3 H 1 2.187 0.057 . 2 . . . . 70 Pro HB3 . 25485 1 782 . 1 1 70 70 PRO HG2 H 1 1.974 0.026 . 2 . . . . 70 Pro HG2 . 25485 1 783 . 1 1 70 70 PRO HG3 H 1 2.155 0.024 . 2 . . . . 70 Pro HG3 . 25485 1 784 . 1 1 70 70 PRO HD2 H 1 3.426 0.021 . 2 . . . . 70 Pro HD2 . 25485 1 785 . 1 1 70 70 PRO HD3 H 1 3.916 0.028 . 2 . . . . 70 Pro HD3 . 25485 1 786 . 1 1 70 70 PRO C C 13 175.019 0.000 . 1 . . . . 70 Pro C . 25485 1 787 . 1 1 70 70 PRO CA C 13 63.300 0.190 . 1 . . . . 70 Pro CA . 25485 1 788 . 1 1 70 70 PRO CB C 13 32.406 0.040 . 1 . . . . 70 Pro CB . 25485 1 789 . 1 1 70 70 PRO CG C 13 27.326 0.155 . 1 . . . . 70 Pro CG . 25485 1 790 . 1 1 70 70 PRO CD C 13 51.587 0.050 . 1 . . . . 70 Pro CD . 25485 1 791 . 1 1 71 71 ASP H H 1 8.053 0.018 . 1 . . . . 71 Asp H . 25485 1 792 . 1 1 71 71 ASP HA H 1 4.433 0.008 . 1 . . . . 71 Asp HA . 25485 1 793 . 1 1 71 71 ASP HB2 H 1 3.151 0.000 . 2 . . . . 71 Asp HB2 . 25485 1 794 . 1 1 71 71 ASP HB3 H 1 3.161 0.000 . 2 . . . . 71 Asp HB3 . 25485 1 795 . 1 1 71 71 ASP C C 13 175.157 0.029 . 1 . . . . 71 Asp C . 25485 1 796 . 1 1 71 71 ASP CA C 13 55.333 0.052 . 1 . . . . 71 Asp CA . 25485 1 797 . 1 1 71 71 ASP CB C 13 39.786 0.129 . 1 . . . . 71 Asp CB . 25485 1 798 . 1 1 71 71 ASP N N 15 118.989 0.063 . 1 . . . . 71 Asp N . 25485 1 799 . 1 1 72 72 VAL H H 1 6.430 0.024 . 1 . . . . 72 Val H . 25485 1 800 . 1 1 72 72 VAL HA H 1 4.296 0.023 . 1 . . . . 72 Val HA . 25485 1 801 . 1 1 72 72 VAL HB H 1 2.062 0.021 . 1 . . . . 72 Val HB . 25485 1 802 . 1 1 72 72 VAL HG11 H 1 0.940 0.027 . 1 . . . . 72 Val HG11 . 25485 1 803 . 1 1 72 72 VAL HG12 H 1 0.940 0.027 . 1 . . . . 72 Val HG12 . 25485 1 804 . 1 1 72 72 VAL HG13 H 1 0.940 0.027 . 1 . . . . 72 Val HG13 . 25485 1 805 . 1 1 72 72 VAL HG21 H 1 0.748 0.024 . 1 . . . . 72 Val HG21 . 25485 1 806 . 1 1 72 72 VAL HG22 H 1 0.748 0.024 . 1 . . . . 72 Val HG22 . 25485 1 807 . 1 1 72 72 VAL HG23 H 1 0.748 0.024 . 1 . . . . 72 Val HG23 . 25485 1 808 . 1 1 72 72 VAL C C 13 174.328 0.008 . 1 . . . . 72 Val C . 25485 1 809 . 1 1 72 72 VAL CA C 13 59.643 0.054 . 1 . . . . 72 Val CA . 25485 1 810 . 1 1 72 72 VAL CB C 13 33.847 0.108 . 1 . . . . 72 Val CB . 25485 1 811 . 1 1 72 72 VAL CG1 C 13 21.716 0.041 . 1 . . . . 72 Val CG1 . 25485 1 812 . 1 1 72 72 VAL CG2 C 13 19.234 0.130 . 1 . . . . 72 Val CG2 . 25485 1 813 . 1 1 72 72 VAL N N 15 112.951 0.075 . 1 . . . . 72 Val N . 25485 1 814 . 1 1 73 73 ALA H H 1 8.177 0.034 . 1 . . . . 73 Ala H . 25485 1 815 . 1 1 73 73 ALA HA H 1 4.307 0.029 . 1 . . . . 73 Ala HA . 25485 1 816 . 1 1 73 73 ALA HB1 H 1 1.325 0.027 . 1 . . . . 73 Ala HB1 . 25485 1 817 . 1 1 73 73 ALA HB2 H 1 1.325 0.027 . 1 . . . . 73 Ala HB2 . 25485 1 818 . 1 1 73 73 ALA HB3 H 1 1.325 0.027 . 1 . . . . 73 Ala HB3 . 25485 1 819 . 1 1 73 73 ALA C C 13 177.382 0.007 . 1 . . . . 73 Ala C . 25485 1 820 . 1 1 73 73 ALA CA C 13 52.046 0.044 . 1 . . . . 73 Ala CA . 25485 1 821 . 1 1 73 73 ALA CB C 13 19.909 0.049 . 1 . . . . 73 Ala CB . 25485 1 822 . 1 1 73 73 ALA N N 15 125.864 0.068 . 1 . . . . 73 Ala N . 25485 1 823 . 1 1 74 74 GLU H H 1 8.380 0.024 . 1 . . . . 74 Glu H . 25485 1 824 . 1 1 74 74 GLU HA H 1 4.103 0.026 . 1 . . . . 74 Glu HA . 25485 1 825 . 1 1 74 74 GLU HB2 H 1 1.895 0.028 . 2 . . . . 74 Glu HB2 . 25485 1 826 . 1 1 74 74 GLU HB3 H 1 1.924 0.036 . 2 . . . . 74 Glu HB3 . 25485 1 827 . 1 1 74 74 GLU HG2 H 1 2.186 0.031 . 2 . . . . 74 Glu HG2 . 25485 1 828 . 1 1 74 74 GLU HG3 H 1 2.147 0.018 . 2 . . . . 74 Glu HG3 . 25485 1 829 . 1 1 74 74 GLU C C 13 176.243 0.010 . 1 . . . . 74 Glu C . 25485 1 830 . 1 1 74 74 GLU CA C 13 56.763 0.042 . 1 . . . . 74 Glu CA . 25485 1 831 . 1 1 74 74 GLU CB C 13 29.803 0.071 . 1 . . . . 74 Glu CB . 25485 1 832 . 1 1 74 74 GLU CG C 13 36.230 0.078 . 1 . . . . 74 Glu CG . 25485 1 833 . 1 1 74 74 GLU N N 15 120.726 0.021 . 1 . . . . 74 Glu N . 25485 1 834 . 1 1 75 75 TYR H H 1 8.065 0.007 . 1 . . . . 75 Tyr H . 25485 1 835 . 1 1 75 75 TYR HA H 1 4.445 0.025 . 1 . . . . 75 Tyr HA . 25485 1 836 . 1 1 75 75 TYR HB2 H 1 2.979 0.021 . 2 . . . . 75 Tyr HB2 . 25485 1 837 . 1 1 75 75 TYR HB3 H 1 2.975 0.020 . 2 . . . . 75 Tyr HB3 . 25485 1 838 . 1 1 75 75 TYR HD1 H 1 7.037 0.017 . 1 . . . . 75 Tyr HD1 . 25485 1 839 . 1 1 75 75 TYR HD2 H 1 7.037 0.017 . 1 . . . . 75 Tyr HD2 . 25485 1 840 . 1 1 75 75 TYR HE1 H 1 6.778 0.006 . 1 . . . . 75 Tyr HE1 . 25485 1 841 . 1 1 75 75 TYR HE2 H 1 6.778 0.006 . 1 . . . . 75 Tyr HE2 . 25485 1 842 . 1 1 75 75 TYR C C 13 175.625 0.046 . 1 . . . . 75 Tyr C . 25485 1 843 . 1 1 75 75 TYR CA C 13 58.342 0.176 . 1 . . . . 75 Tyr CA . 25485 1 844 . 1 1 75 75 TYR CB C 13 38.406 0.068 . 1 . . . . 75 Tyr CB . 25485 1 845 . 1 1 75 75 TYR CD1 C 13 132.942 0.097 . 1 . . . . 75 Tyr CD1 . 25485 1 846 . 1 1 75 75 TYR CD2 C 13 132.942 0.097 . 1 . . . . 75 Tyr CD2 . 25485 1 847 . 1 1 75 75 TYR CE1 C 13 118.478 0.184 . 1 . . . . 75 Tyr CE1 . 25485 1 848 . 1 1 75 75 TYR CE2 C 13 118.478 0.184 . 1 . . . . 75 Tyr CE2 . 25485 1 849 . 1 1 75 75 TYR N N 15 121.475 0.047 . 1 . . . . 75 Tyr N . 25485 1 850 . 1 1 76 76 SER H H 1 7.748 0.000 . 1 . . . . 76 Ser H . 25485 1 851 . 1 1 76 76 SER HA H 1 3.886 0.000 . 1 . . . . 76 Ser HA . 25485 1 852 . 1 1 76 76 SER HB2 H 1 3.692 0.000 . 2 . . . . 76 Ser HB2 . 25485 1 853 . 1 1 76 76 SER HB3 H 1 3.739 0.047 . 2 . . . . 76 Ser HB3 . 25485 1 854 . 1 1 76 76 SER C C 13 173.854 0.033 . 1 . . . . 76 Ser C . 25485 1 855 . 1 1 76 76 SER CA C 13 58.253 0.187 . 1 . . . . 76 Ser CA . 25485 1 856 . 1 1 76 76 SER CB C 13 64.072 0.233 . 1 . . . . 76 Ser CB . 25485 1 857 . 1 1 76 76 SER N N 15 117.860 0.000 . 1 . . . . 76 Ser N . 25485 1 858 . 1 1 77 77 LEU H H 1 7.978 0.018 . 1 . . . . 77 Leu H . 25485 1 859 . 1 1 77 77 LEU HA H 1 4.146 0.003 . 1 . . . . 77 Leu HA . 25485 1 860 . 1 1 77 77 LEU HB2 H 1 1.329 0.029 . 2 . . . . 77 Leu HB2 . 25485 1 861 . 1 1 77 77 LEU HB3 H 1 1.401 0.028 . 2 . . . . 77 Leu HB3 . 25485 1 862 . 1 1 77 77 LEU HG H 1 1.396 0.023 . 1 . . . . 77 Leu HG . 25485 1 863 . 1 1 77 77 LEU HD11 H 1 0.820 0.015 . 1 . . . . 77 Leu HD11 . 25485 1 864 . 1 1 77 77 LEU HD12 H 1 0.820 0.015 . 1 . . . . 77 Leu HD12 . 25485 1 865 . 1 1 77 77 LEU HD13 H 1 0.820 0.015 . 1 . . . . 77 Leu HD13 . 25485 1 866 . 1 1 77 77 LEU HD21 H 1 0.815 0.029 . 1 . . . . 77 Leu HD21 . 25485 1 867 . 1 1 77 77 LEU HD22 H 1 0.815 0.029 . 1 . . . . 77 Leu HD22 . 25485 1 868 . 1 1 77 77 LEU HD23 H 1 0.815 0.029 . 1 . . . . 77 Leu HD23 . 25485 1 869 . 1 1 77 77 LEU C C 13 176.451 0.000 . 1 . . . . 77 Leu C . 25485 1 870 . 1 1 77 77 LEU CA C 13 55.501 0.082 . 1 . . . . 77 Leu CA . 25485 1 871 . 1 1 77 77 LEU CB C 13 41.928 0.090 . 1 . . . . 77 Leu CB . 25485 1 872 . 1 1 77 77 LEU CG C 13 26.739 0.005 . 1 . . . . 77 Leu CG . 25485 1 873 . 1 1 77 77 LEU CD1 C 13 24.626 0.061 . 1 . . . . 77 Leu CD1 . 25485 1 874 . 1 1 77 77 LEU CD2 C 13 23.457 0.000 . 1 . . . . 77 Leu CD2 . 25485 1 875 . 1 1 77 77 LEU N N 15 123.745 0.184 . 1 . . . . 77 Leu N . 25485 1 876 . 1 1 78 78 PHE H H 1 7.826 0.018 . 1 . . . . 78 Phe H . 25485 1 877 . 1 1 78 78 PHE HA H 1 4.876 0.030 . 1 . . . . 78 Phe HA . 25485 1 878 . 1 1 78 78 PHE HB2 H 1 2.913 0.017 . 2 . . . . 78 Phe HB2 . 25485 1 879 . 1 1 78 78 PHE HB3 H 1 3.156 0.013 . 2 . . . . 78 Phe HB3 . 25485 1 880 . 1 1 78 78 PHE HD1 H 1 7.266 0.019 . 1 . . . . 78 Phe HD1 . 25485 1 881 . 1 1 78 78 PHE HD2 H 1 7.266 0.019 . 1 . . . . 78 Phe HD2 . 25485 1 882 . 1 1 78 78 PHE HE1 H 1 7.409 0.009 . 1 . . . . 78 Phe HE1 . 25485 1 883 . 1 1 78 78 PHE HE2 H 1 7.409 0.009 . 1 . . . . 78 Phe HE2 . 25485 1 884 . 1 1 78 78 PHE C C 13 173.844 0.000 . 1 . . . . 78 Phe C . 25485 1 885 . 1 1 78 78 PHE CA C 13 55.366 0.036 . 1 . . . . 78 Phe CA . 25485 1 886 . 1 1 78 78 PHE CB C 13 39.178 0.067 . 1 . . . . 78 Phe CB . 25485 1 887 . 1 1 78 78 PHE CD1 C 13 132.275 0.061 . 1 . . . . 78 Phe CD1 . 25485 1 888 . 1 1 78 78 PHE CD2 C 13 132.275 0.061 . 1 . . . . 78 Phe CD2 . 25485 1 889 . 1 1 78 78 PHE CE1 C 13 132.079 0.001 . 1 . . . . 78 Phe CE1 . 25485 1 890 . 1 1 78 78 PHE CE2 C 13 132.079 0.001 . 1 . . . . 78 Phe CE2 . 25485 1 891 . 1 1 78 78 PHE N N 15 119.275 0.002 . 1 . . . . 78 Phe N . 25485 1 892 . 1 1 79 79 PRO HA H 1 4.357 0.018 . 1 . . . . 79 Pro HA . 25485 1 893 . 1 1 79 79 PRO HB2 H 1 1.913 0.014 . 2 . . . . 79 Pro HB2 . 25485 1 894 . 1 1 79 79 PRO HB3 H 1 2.222 0.010 . 2 . . . . 79 Pro HB3 . 25485 1 895 . 1 1 79 79 PRO HG2 H 1 1.869 0.024 . 2 . . . . 79 Pro HG2 . 25485 1 896 . 1 1 79 79 PRO HG3 H 1 1.869 0.024 . 2 . . . . 79 Pro HG3 . 25485 1 897 . 1 1 79 79 PRO HD2 H 1 3.611 0.020 . 2 . . . . 79 Pro HD2 . 25485 1 898 . 1 1 79 79 PRO HD3 H 1 3.611 0.020 . 2 . . . . 79 Pro HD3 . 25485 1 899 . 1 1 79 79 PRO C C 13 176.434 0.005 . 1 . . . . 79 Pro C . 25485 1 900 . 1 1 79 79 PRO CA C 13 63.764 0.166 . 1 . . . . 79 Pro CA . 25485 1 901 . 1 1 79 79 PRO CB C 13 31.664 0.089 . 1 . . . . 79 Pro CB . 25485 1 902 . 1 1 79 79 PRO CG C 13 27.082 0.118 . 1 . . . . 79 Pro CG . 25485 1 903 . 1 1 79 79 PRO CD C 13 50.677 0.036 . 1 . . . . 79 Pro CD . 25485 1 904 . 1 1 80 80 ASN H H 1 8.067 0.009 . 1 . . . . 80 Asn H . 25485 1 905 . 1 1 80 80 ASN HA H 1 4.647 0.000 . 1 . . . . 80 Asn HA . 25485 1 906 . 1 1 80 80 ASN HB2 H 1 2.737 0.038 . 2 . . . . 80 Asn HB2 . 25485 1 907 . 1 1 80 80 ASN HB3 H 1 2.711 0.012 . 2 . . . . 80 Asn HB3 . 25485 1 908 . 1 1 80 80 ASN HD21 H 1 6.784 0.000 . 1 . . . . 80 Asn HD21 . 25485 1 909 . 1 1 80 80 ASN HD22 H 1 7.450 0.000 . 1 . . . . 80 Asn HD22 . 25485 1 910 . 1 1 80 80 ASN C C 13 174.305 0.000 . 1 . . . . 80 Asn C . 25485 1 911 . 1 1 80 80 ASN CA C 13 52.803 0.149 . 1 . . . . 80 Asn CA . 25485 1 912 . 1 1 80 80 ASN CB C 13 39.511 0.064 . 1 . . . . 80 Asn CB . 25485 1 913 . 1 1 80 80 ASN CG C 13 177.070 0.000 . 1 . . . . 80 Asn CG . 25485 1 914 . 1 1 80 80 ASN N N 15 118.020 0.027 . 1 . . . . 80 Asn N . 25485 1 915 . 1 1 80 80 ASN ND2 N 15 113.171 0.039 . 1 . . . . 80 Asn ND2 . 25485 1 916 . 1 1 81 81 SER HA H 1 4.565 0.028 . 1 . . . . 81 Ser HA . 25485 1 917 . 1 1 81 81 SER HB2 H 1 3.675 0.003 . 2 . . . . 81 Ser HB2 . 25485 1 918 . 1 1 81 81 SER HB3 H 1 3.814 0.007 . 2 . . . . 81 Ser HB3 . 25485 1 919 . 1 1 81 81 SER CA C 13 56.800 0.019 . 1 . . . . 81 Ser CA . 25485 1 920 . 1 1 81 81 SER CB C 13 63.128 0.092 . 1 . . . . 81 Ser CB . 25485 1 921 . 1 1 82 82 PRO HA H 1 4.454 0.039 . 1 . . . . 82 Pro HA . 25485 1 922 . 1 1 82 82 PRO HB2 H 1 2.109 0.037 . 2 . . . . 82 Pro HB2 . 25485 1 923 . 1 1 82 82 PRO HB3 H 1 2.281 0.003 . 2 . . . . 82 Pro HB3 . 25485 1 924 . 1 1 82 82 PRO HG2 H 1 1.973 0.010 . 2 . . . . 82 Pro HG2 . 25485 1 925 . 1 1 82 82 PRO HG3 H 1 1.973 0.010 . 2 . . . . 82 Pro HG3 . 25485 1 926 . 1 1 82 82 PRO HD2 H 1 3.531 0.009 . 2 . . . . 82 Pro HD2 . 25485 1 927 . 1 1 82 82 PRO HD3 H 1 3.733 0.016 . 2 . . . . 82 Pro HD3 . 25485 1 928 . 1 1 82 82 PRO C C 13 174.586 0.010 . 1 . . . . 82 Pro C . 25485 1 929 . 1 1 82 82 PRO CA C 13 63.591 0.100 . 1 . . . . 82 Pro CA . 25485 1 930 . 1 1 82 82 PRO CB C 13 31.256 0.097 . 1 . . . . 82 Pro CB . 25485 1 931 . 1 1 82 82 PRO CG C 13 27.460 0.160 . 1 . . . . 82 Pro CG . 25485 1 932 . 1 1 82 82 PRO CD C 13 49.374 0.103 . 1 . . . . 82 Pro CD . 25485 1 933 . 1 1 83 83 LYS H H 1 7.355 0.024 . 1 . . . . 83 Lys H . 25485 1 934 . 1 1 83 83 LYS HA H 1 4.153 0.028 . 1 . . . . 83 Lys HA . 25485 1 935 . 1 1 83 83 LYS HB2 H 1 1.539 0.027 . 2 . . . . 83 Lys HB2 . 25485 1 936 . 1 1 83 83 LYS HB3 H 1 1.570 0.020 . 2 . . . . 83 Lys HB3 . 25485 1 937 . 1 1 83 83 LYS HG2 H 1 0.926 0.027 . 2 . . . . 83 Lys HG2 . 25485 1 938 . 1 1 83 83 LYS HG3 H 1 1.186 0.006 . 2 . . . . 83 Lys HG3 . 25485 1 939 . 1 1 83 83 LYS HD2 H 1 1.320 0.026 . 2 . . . . 83 Lys HD2 . 25485 1 940 . 1 1 83 83 LYS HD3 H 1 1.390 0.020 . 2 . . . . 83 Lys HD3 . 25485 1 941 . 1 1 83 83 LYS HE2 H 1 2.843 0.018 . 2 . . . . 83 Lys HE2 . 25485 1 942 . 1 1 83 83 LYS HE3 H 1 2.845 0.017 . 2 . . . . 83 Lys HE3 . 25485 1 943 . 1 1 83 83 LYS C C 13 175.308 0.000 . 1 . . . . 83 Lys C . 25485 1 944 . 1 1 83 83 LYS CA C 13 54.361 0.069 . 1 . . . . 83 Lys CA . 25485 1 945 . 1 1 83 83 LYS CB C 13 34.409 0.119 . 1 . . . . 83 Lys CB . 25485 1 946 . 1 1 83 83 LYS CG C 13 22.083 0.067 . 1 . . . . 83 Lys CG . 25485 1 947 . 1 1 83 83 LYS CD C 13 29.168 0.082 . 1 . . . . 83 Lys CD . 25485 1 948 . 1 1 83 83 LYS CE C 13 41.928 0.077 . 1 . . . . 83 Lys CE . 25485 1 949 . 1 1 83 83 LYS N N 15 114.597 0.041 . 1 . . . . 83 Lys N . 25485 1 950 . 1 1 84 84 TRP H H 1 8.050 0.028 . 1 . . . . 84 Trp H . 25485 1 951 . 1 1 84 84 TRP HA H 1 4.020 0.060 . 1 . . . . 84 Trp HA . 25485 1 952 . 1 1 84 84 TRP HB2 H 1 3.113 0.009 . 2 . . . . 84 Trp HB2 . 25485 1 953 . 1 1 84 84 TRP HB3 H 1 3.559 0.013 . 2 . . . . 84 Trp HB3 . 25485 1 954 . 1 1 84 84 TRP HD1 H 1 7.358 0.024 . 1 . . . . 84 Trp HD1 . 25485 1 955 . 1 1 84 84 TRP HE1 H 1 10.176 0.019 . 1 . . . . 84 Trp HE1 . 25485 1 956 . 1 1 84 84 TRP HZ2 H 1 7.573 0.015 . 1 . . . . 84 Trp HZ2 . 25485 1 957 . 1 1 84 84 TRP C C 13 177.636 0.000 . 1 . . . . 84 Trp C . 25485 1 958 . 1 1 84 84 TRP CA C 13 57.431 0.162 . 1 . . . . 84 Trp CA . 25485 1 959 . 1 1 84 84 TRP CB C 13 30.323 0.125 . 1 . . . . 84 Trp CB . 25485 1 960 . 1 1 84 84 TRP CD1 C 13 127.169 0.093 . 1 . . . . 84 Trp CD1 . 25485 1 961 . 1 1 84 84 TRP CZ2 C 13 114.102 0.008 . 1 . . . . 84 Trp CZ2 . 25485 1 962 . 1 1 84 84 TRP N N 15 122.453 0.014 . 1 . . . . 84 Trp N . 25485 1 963 . 1 1 84 84 TRP NE1 N 15 128.083 0.028 . 1 . . . . 84 Trp NE1 . 25485 1 964 . 1 1 85 85 THR H H 1 8.854 0.015 . 1 . . . . 85 Thr H . 25485 1 965 . 1 1 85 85 THR HA H 1 4.573 0.010 . 1 . . . . 85 Thr HA . 25485 1 966 . 1 1 85 85 THR HB H 1 4.576 0.011 . 1 . . . . 85 Thr HB . 25485 1 967 . 1 1 85 85 THR HG21 H 1 1.259 0.021 . 1 . . . . 85 Thr HG21 . 25485 1 968 . 1 1 85 85 THR HG22 H 1 1.259 0.021 . 1 . . . . 85 Thr HG22 . 25485 1 969 . 1 1 85 85 THR HG23 H 1 1.259 0.021 . 1 . . . . 85 Thr HG23 . 25485 1 970 . 1 1 85 85 THR C C 13 174.757 0.000 . 1 . . . . 85 Thr C . 25485 1 971 . 1 1 85 85 THR CA C 13 62.121 0.022 . 1 . . . . 85 Thr CA . 25485 1 972 . 1 1 85 85 THR CB C 13 69.082 0.051 . 1 . . . . 85 Thr CB . 25485 1 973 . 1 1 85 85 THR CG2 C 13 21.658 0.008 . 1 . . . . 85 Thr CG2 . 25485 1 974 . 1 1 85 85 THR N N 15 113.647 0.000 . 1 . . . . 85 Thr N . 25485 1 975 . 1 1 86 86 SER H H 1 7.742 0.023 . 1 . . . . 86 Ser H . 25485 1 976 . 1 1 86 86 SER HA H 1 4.741 0.012 . 1 . . . . 86 Ser HA . 25485 1 977 . 1 1 86 86 SER HB2 H 1 3.983 0.011 . 2 . . . . 86 Ser HB2 . 25485 1 978 . 1 1 86 86 SER HB3 H 1 4.128 0.013 . 2 . . . . 86 Ser HB3 . 25485 1 979 . 1 1 86 86 SER C C 13 173.457 0.000 . 1 . . . . 86 Ser C . 25485 1 980 . 1 1 86 86 SER CA C 13 56.747 0.168 . 1 . . . . 86 Ser CA . 25485 1 981 . 1 1 86 86 SER CB C 13 64.729 0.049 . 1 . . . . 86 Ser CB . 25485 1 982 . 1 1 86 86 SER N N 15 117.261 0.080 . 1 . . . . 86 Ser N . 25485 1 983 . 1 1 87 87 LYS H H 1 8.286 0.006 . 1 . . . . 87 Lys H . 25485 1 984 . 1 1 87 87 LYS HA H 1 4.229 0.000 . 1 . . . . 87 Lys HA . 25485 1 985 . 1 1 87 87 LYS HB2 H 1 1.955 0.011 . 2 . . . . 87 Lys HB2 . 25485 1 986 . 1 1 87 87 LYS HB3 H 1 1.955 0.011 . 2 . . . . 87 Lys HB3 . 25485 1 987 . 1 1 87 87 LYS HG2 H 1 1.648 0.000 . 2 . . . . 87 Lys HG2 . 25485 1 988 . 1 1 87 87 LYS HG3 H 1 1.648 0.000 . 2 . . . . 87 Lys HG3 . 25485 1 989 . 1 1 87 87 LYS CA C 13 57.619 0.041 . 1 . . . . 87 Lys CA . 25485 1 990 . 1 1 87 87 LYS CB C 13 32.165 0.160 . 1 . . . . 87 Lys CB . 25485 1 991 . 1 1 87 87 LYS CG C 13 24.873 0.000 . 1 . . . . 87 Lys CG . 25485 1 992 . 1 1 87 87 LYS CD C 13 28.697 0.000 . 1 . . . . 87 Lys CD . 25485 1 993 . 1 1 87 87 LYS CE C 13 42.590 0.000 . 1 . . . . 87 Lys CE . 25485 1 994 . 1 1 87 87 LYS N N 15 120.329 0.000 . 1 . . . . 87 Lys N . 25485 1 995 . 1 1 88 88 VAL H H 1 7.428 0.030 . 1 . . . . 88 Val H . 25485 1 996 . 1 1 88 88 VAL HA H 1 4.655 0.000 . 1 . . . . 88 Val HA . 25485 1 997 . 1 1 88 88 VAL HB H 1 1.820 0.023 . 1 . . . . 88 Val HB . 25485 1 998 . 1 1 88 88 VAL HG11 H 1 0.723 0.042 . 1 . . . . 88 Val HG11 . 25485 1 999 . 1 1 88 88 VAL HG12 H 1 0.723 0.042 . 1 . . . . 88 Val HG12 . 25485 1 1000 . 1 1 88 88 VAL HG13 H 1 0.723 0.042 . 1 . . . . 88 Val HG13 . 25485 1 1001 . 1 1 88 88 VAL HG21 H 1 0.731 0.044 . 1 . . . . 88 Val HG21 . 25485 1 1002 . 1 1 88 88 VAL HG22 H 1 0.731 0.044 . 1 . . . . 88 Val HG22 . 25485 1 1003 . 1 1 88 88 VAL HG23 H 1 0.731 0.044 . 1 . . . . 88 Val HG23 . 25485 1 1004 . 1 1 88 88 VAL C C 13 174.865 0.008 . 1 . . . . 88 Val C . 25485 1 1005 . 1 1 88 88 VAL CA C 13 60.091 0.135 . 1 . . . . 88 Val CA . 25485 1 1006 . 1 1 88 88 VAL CB C 13 33.696 0.148 . 1 . . . . 88 Val CB . 25485 1 1007 . 1 1 88 88 VAL CG1 C 13 20.819 0.031 . 1 . . . . 88 Val CG1 . 25485 1 1008 . 1 1 88 88 VAL CG2 C 13 20.792 0.056 . 1 . . . . 88 Val CG2 . 25485 1 1009 . 1 1 88 88 VAL N N 15 117.532 0.031 . 1 . . . . 88 Val N . 25485 1 1010 . 1 1 89 89 VAL H H 1 8.603 0.027 . 1 . . . . 89 Val H . 25485 1 1011 . 1 1 89 89 VAL HA H 1 4.159 0.023 . 1 . . . . 89 Val HA . 25485 1 1012 . 1 1 89 89 VAL HB H 1 1.630 0.011 . 1 . . . . 89 Val HB . 25485 1 1013 . 1 1 89 89 VAL HG11 H 1 0.217 0.027 . 1 . . . . 89 Val HG11 . 25485 1 1014 . 1 1 89 89 VAL HG12 H 1 0.217 0.027 . 1 . . . . 89 Val HG12 . 25485 1 1015 . 1 1 89 89 VAL HG13 H 1 0.217 0.027 . 1 . . . . 89 Val HG13 . 25485 1 1016 . 1 1 89 89 VAL HG21 H 1 0.394 0.029 . 1 . . . . 89 Val HG21 . 25485 1 1017 . 1 1 89 89 VAL HG22 H 1 0.394 0.029 . 1 . . . . 89 Val HG22 . 25485 1 1018 . 1 1 89 89 VAL HG23 H 1 0.394 0.029 . 1 . . . . 89 Val HG23 . 25485 1 1019 . 1 1 89 89 VAL C C 13 175.757 0.004 . 1 . . . . 89 Val C . 25485 1 1020 . 1 1 89 89 VAL CA C 13 60.735 0.038 . 1 . . . . 89 Val CA . 25485 1 1021 . 1 1 89 89 VAL CB C 13 34.149 0.064 . 1 . . . . 89 Val CB . 25485 1 1022 . 1 1 89 89 VAL CG1 C 13 20.025 0.058 . 1 . . . . 89 Val CG1 . 25485 1 1023 . 1 1 89 89 VAL CG2 C 13 21.600 0.059 . 1 . . . . 89 Val CG2 . 25485 1 1024 . 1 1 89 89 VAL N N 15 131.452 0.104 . 1 . . . . 89 Val N . 25485 1 1025 . 1 1 90 90 THR H H 1 9.021 0.027 . 1 . . . . 90 Thr H . 25485 1 1026 . 1 1 90 90 THR HA H 1 5.649 0.026 . 1 . . . . 90 Thr HA . 25485 1 1027 . 1 1 90 90 THR HB H 1 4.241 0.027 . 1 . . . . 90 Thr HB . 25485 1 1028 . 1 1 90 90 THR HG21 H 1 1.172 0.029 . 1 . . . . 90 Thr HG21 . 25485 1 1029 . 1 1 90 90 THR HG22 H 1 1.172 0.029 . 1 . . . . 90 Thr HG22 . 25485 1 1030 . 1 1 90 90 THR HG23 H 1 1.172 0.029 . 1 . . . . 90 Thr HG23 . 25485 1 1031 . 1 1 90 90 THR C C 13 174.579 0.003 . 1 . . . . 90 Thr C . 25485 1 1032 . 1 1 90 90 THR CA C 13 58.949 0.039 . 1 . . . . 90 Thr CA . 25485 1 1033 . 1 1 90 90 THR CB C 13 72.265 0.060 . 1 . . . . 90 Thr CB . 25485 1 1034 . 1 1 90 90 THR CG2 C 13 21.706 0.020 . 1 . . . . 90 Thr CG2 . 25485 1 1035 . 1 1 90 90 THR N N 15 118.206 0.060 . 1 . . . . 90 Thr N . 25485 1 1036 . 1 1 91 91 TYR H H 1 8.556 0.028 . 1 . . . . 91 Tyr H . 25485 1 1037 . 1 1 91 91 TYR HA H 1 5.699 0.031 . 1 . . . . 91 Tyr HA . 25485 1 1038 . 1 1 91 91 TYR HB2 H 1 2.635 0.033 . 2 . . . . 91 Tyr HB2 . 25485 1 1039 . 1 1 91 91 TYR HB3 H 1 2.896 0.019 . 2 . . . . 91 Tyr HB3 . 25485 1 1040 . 1 1 91 91 TYR HD1 H 1 6.658 0.030 . 1 . . . . 91 Tyr HD1 . 25485 1 1041 . 1 1 91 91 TYR HD2 H 1 6.658 0.030 . 1 . . . . 91 Tyr HD2 . 25485 1 1042 . 1 1 91 91 TYR HE1 H 1 6.556 0.031 . 1 . . . . 91 Tyr HE1 . 25485 1 1043 . 1 1 91 91 TYR HE2 H 1 6.556 0.031 . 1 . . . . 91 Tyr HE2 . 25485 1 1044 . 1 1 91 91 TYR C C 13 171.233 0.002 . 1 . . . . 91 Tyr C . 25485 1 1045 . 1 1 91 91 TYR CA C 13 55.424 0.057 . 1 . . . . 91 Tyr CA . 25485 1 1046 . 1 1 91 91 TYR CB C 13 42.282 0.056 . 1 . . . . 91 Tyr CB . 25485 1 1047 . 1 1 91 91 TYR CD1 C 13 132.534 0.000 . 1 . . . . 91 Tyr CD1 . 25485 1 1048 . 1 1 91 91 TYR CD2 C 13 132.534 0.000 . 1 . . . . 91 Tyr CD2 . 25485 1 1049 . 1 1 91 91 TYR CE1 C 13 117.490 0.007 . 1 . . . . 91 Tyr CE1 . 25485 1 1050 . 1 1 91 91 TYR CE2 C 13 117.490 0.007 . 1 . . . . 91 Tyr CE2 . 25485 1 1051 . 1 1 91 91 TYR N N 15 118.121 0.015 . 1 . . . . 91 Tyr N . 25485 1 1052 . 1 1 92 92 ARG H H 1 8.520 0.026 . 1 . . . . 92 Arg H . 25485 1 1053 . 1 1 92 92 ARG HA H 1 4.697 0.030 . 1 . . . . 92 Arg HA . 25485 1 1054 . 1 1 92 92 ARG HB2 H 1 1.770 0.021 . 2 . . . . 92 Arg HB2 . 25485 1 1055 . 1 1 92 92 ARG HB3 H 1 1.766 0.012 . 2 . . . . 92 Arg HB3 . 25485 1 1056 . 1 1 92 92 ARG HG2 H 1 0.994 0.026 . 2 . . . . 92 Arg HG2 . 25485 1 1057 . 1 1 92 92 ARG HG3 H 1 0.994 0.026 . 2 . . . . 92 Arg HG3 . 25485 1 1058 . 1 1 92 92 ARG HD2 H 1 2.649 0.012 . 2 . . . . 92 Arg HD2 . 25485 1 1059 . 1 1 92 92 ARG HD3 H 1 2.862 0.013 . 2 . . . . 92 Arg HD3 . 25485 1 1060 . 1 1 92 92 ARG HE H 1 7.013 0.008 . 1 . . . . 92 Arg HE . 25485 1 1061 . 1 1 92 92 ARG C C 13 173.932 0.007 . 1 . . . . 92 Arg C . 25485 1 1062 . 1 1 92 92 ARG CA C 13 54.838 0.155 . 1 . . . . 92 Arg CA . 25485 1 1063 . 1 1 92 92 ARG CB C 13 34.641 0.082 . 1 . . . . 92 Arg CB . 25485 1 1064 . 1 1 92 92 ARG CG C 13 28.255 0.000 . 1 . . . . 92 Arg CG . 25485 1 1065 . 1 1 92 92 ARG CD C 13 44.500 0.106 . 1 . . . . 92 Arg CD . 25485 1 1066 . 1 1 92 92 ARG N N 15 120.252 0.052 . 1 . . . . 92 Arg N . 25485 1 1067 . 1 1 92 92 ARG NE N 15 114.038 0.079 . 1 . . . . 92 Arg NE . 25485 1 1068 . 1 1 93 93 ILE H H 1 8.885 0.028 . 1 . . . . 93 Ile H . 25485 1 1069 . 1 1 93 93 ILE HA H 1 4.632 0.055 . 1 . . . . 93 Ile HA . 25485 1 1070 . 1 1 93 93 ILE HB H 1 1.798 0.026 . 1 . . . . 93 Ile HB . 25485 1 1071 . 1 1 93 93 ILE HG12 H 1 0.938 0.019 . 2 . . . . 93 Ile HG12 . 25485 1 1072 . 1 1 93 93 ILE HG13 H 1 0.938 0.019 . 2 . . . . 93 Ile HG13 . 25485 1 1073 . 1 1 93 93 ILE HG21 H 1 0.144 0.018 . 1 . . . . 93 Ile HG21 . 25485 1 1074 . 1 1 93 93 ILE HG22 H 1 0.144 0.018 . 1 . . . . 93 Ile HG22 . 25485 1 1075 . 1 1 93 93 ILE HG23 H 1 0.144 0.018 . 1 . . . . 93 Ile HG23 . 25485 1 1076 . 1 1 93 93 ILE HD11 H 1 1.150 0.022 . 1 . . . . 93 Ile HD11 . 25485 1 1077 . 1 1 93 93 ILE HD12 H 1 1.150 0.022 . 1 . . . . 93 Ile HD12 . 25485 1 1078 . 1 1 93 93 ILE HD13 H 1 1.150 0.022 . 1 . . . . 93 Ile HD13 . 25485 1 1079 . 1 1 93 93 ILE C C 13 175.466 0.011 . 1 . . . . 93 Ile C . 25485 1 1080 . 1 1 93 93 ILE CA C 13 61.228 0.125 . 1 . . . . 93 Ile CA . 25485 1 1081 . 1 1 93 93 ILE CB C 13 37.199 0.058 . 1 . . . . 93 Ile CB . 25485 1 1082 . 1 1 93 93 ILE CG1 C 13 28.711 0.037 . 1 . . . . 93 Ile CG1 . 25485 1 1083 . 1 1 93 93 ILE CG2 C 13 18.179 0.067 . 1 . . . . 93 Ile CG2 . 25485 1 1084 . 1 1 93 93 ILE CD1 C 13 15.022 0.128 . 1 . . . . 93 Ile CD1 . 25485 1 1085 . 1 1 93 93 ILE N N 15 128.315 0.107 . 1 . . . . 93 Ile N . 25485 1 1086 . 1 1 94 94 VAL H H 1 9.517 0.034 . 1 . . . . 94 Val H . 25485 1 1087 . 1 1 94 94 VAL HA H 1 3.996 0.019 . 1 . . . . 94 Val HA . 25485 1 1088 . 1 1 94 94 VAL HB H 1 2.186 0.026 . 1 . . . . 94 Val HB . 25485 1 1089 . 1 1 94 94 VAL HG11 H 1 1.022 0.032 . 1 . . . . 94 Val HG11 . 25485 1 1090 . 1 1 94 94 VAL HG12 H 1 1.022 0.032 . 1 . . . . 94 Val HG12 . 25485 1 1091 . 1 1 94 94 VAL HG13 H 1 1.022 0.032 . 1 . . . . 94 Val HG13 . 25485 1 1092 . 1 1 94 94 VAL HG21 H 1 1.022 0.029 . 1 . . . . 94 Val HG21 . 25485 1 1093 . 1 1 94 94 VAL HG22 H 1 1.022 0.029 . 1 . . . . 94 Val HG22 . 25485 1 1094 . 1 1 94 94 VAL HG23 H 1 1.022 0.029 . 1 . . . . 94 Val HG23 . 25485 1 1095 . 1 1 94 94 VAL C C 13 175.670 0.046 . 1 . . . . 94 Val C . 25485 1 1096 . 1 1 94 94 VAL CA C 13 63.447 0.061 . 1 . . . . 94 Val CA . 25485 1 1097 . 1 1 94 94 VAL CB C 13 32.990 0.045 . 1 . . . . 94 Val CB . 25485 1 1098 . 1 1 94 94 VAL CG1 C 13 21.518 0.086 . 1 . . . . 94 Val CG1 . 25485 1 1099 . 1 1 94 94 VAL CG2 C 13 21.461 0.000 . 1 . . . . 94 Val CG2 . 25485 1 1100 . 1 1 94 94 VAL N N 15 126.647 0.119 . 1 . . . . 94 Val N . 25485 1 1101 . 1 1 95 95 SER H H 1 7.463 0.026 . 1 . . . . 95 Ser H . 25485 1 1102 . 1 1 95 95 SER HA H 1 4.701 0.000 . 1 . . . . 95 Ser HA . 25485 1 1103 . 1 1 95 95 SER HB2 H 1 4.111 0.026 . 2 . . . . 95 Ser HB2 . 25485 1 1104 . 1 1 95 95 SER HB3 H 1 4.242 0.004 . 2 . . . . 95 Ser HB3 . 25485 1 1105 . 1 1 95 95 SER C C 13 170.683 0.002 . 1 . . . . 95 Ser C . 25485 1 1106 . 1 1 95 95 SER CA C 13 56.918 0.160 . 1 . . . . 95 Ser CA . 25485 1 1107 . 1 1 95 95 SER CB C 13 65.259 0.060 . 1 . . . . 95 Ser CB . 25485 1 1108 . 1 1 95 95 SER N N 15 113.398 0.043 . 1 . . . . 95 Ser N . 25485 1 1109 . 1 1 96 96 TYR H H 1 8.239 0.030 . 1 . . . . 96 Tyr H . 25485 1 1110 . 1 1 96 96 TYR HA H 1 4.261 0.010 . 1 . . . . 96 Tyr HA . 25485 1 1111 . 1 1 96 96 TYR HB2 H 1 2.166 0.036 . 2 . . . . 96 Tyr HB2 . 25485 1 1112 . 1 1 96 96 TYR HB3 H 1 2.978 0.045 . 2 . . . . 96 Tyr HB3 . 25485 1 1113 . 1 1 96 96 TYR C C 13 174.856 0.000 . 1 . . . . 96 Tyr C . 25485 1 1114 . 1 1 96 96 TYR CA C 13 58.632 0.042 . 1 . . . . 96 Tyr CA . 25485 1 1115 . 1 1 96 96 TYR CB C 13 41.149 0.074 . 1 . . . . 96 Tyr CB . 25485 1 1116 . 1 1 96 96 TYR N N 15 116.527 0.046 . 1 . . . . 96 Tyr N . 25485 1 1117 . 1 1 97 97 THR H H 1 5.206 0.013 . 1 . . . . 97 Thr H . 25485 1 1118 . 1 1 97 97 THR HB H 1 2.603 0.015 . 1 . . . . 97 Thr HB . 25485 1 1119 . 1 1 97 97 THR HG21 H 1 0.328 0.024 . 1 . . . . 97 Thr HG21 . 25485 1 1120 . 1 1 97 97 THR HG22 H 1 0.328 0.024 . 1 . . . . 97 Thr HG22 . 25485 1 1121 . 1 1 97 97 THR HG23 H 1 0.328 0.024 . 1 . . . . 97 Thr HG23 . 25485 1 1122 . 1 1 97 97 THR C C 13 174.064 0.000 . 1 . . . . 97 Thr C . 25485 1 1123 . 1 1 97 97 THR CA C 13 57.797 0.078 . 1 . . . . 97 Thr CA . 25485 1 1124 . 1 1 97 97 THR CB C 13 67.541 0.147 . 1 . . . . 97 Thr CB . 25485 1 1125 . 1 1 97 97 THR CG2 C 13 19.511 0.037 . 1 . . . . 97 Thr CG2 . 25485 1 1126 . 1 1 97 97 THR N N 15 112.717 0.086 . 1 . . . . 97 Thr N . 25485 1 1127 . 1 1 98 98 ARG H H 1 8.918 0.026 . 1 . . . . 98 Arg H . 25485 1 1128 . 1 1 98 98 ARG HA H 1 4.326 0.013 . 1 . . . . 98 Arg HA . 25485 1 1129 . 1 1 98 98 ARG HB2 H 1 1.837 0.000 . 2 . . . . 98 Arg HB2 . 25485 1 1130 . 1 1 98 98 ARG HB3 H 1 1.837 0.000 . 2 . . . . 98 Arg HB3 . 25485 1 1131 . 1 1 98 98 ARG HG2 H 1 1.730 0.020 . 2 . . . . 98 Arg HG2 . 25485 1 1132 . 1 1 98 98 ARG HG3 H 1 1.721 0.007 . 2 . . . . 98 Arg HG3 . 25485 1 1133 . 1 1 98 98 ARG HD2 H 1 3.138 0.000 . 2 . . . . 98 Arg HD2 . 25485 1 1134 . 1 1 98 98 ARG HD3 H 1 3.138 0.000 . 2 . . . . 98 Arg HD3 . 25485 1 1135 . 1 1 98 98 ARG C C 13 177.623 0.012 . 1 . . . . 98 Arg C . 25485 1 1136 . 1 1 98 98 ARG CA C 13 57.405 0.176 . 1 . . . . 98 Arg CA . 25485 1 1137 . 1 1 98 98 ARG CB C 13 29.485 0.128 . 1 . . . . 98 Arg CB . 25485 1 1138 . 1 1 98 98 ARG CG C 13 27.117 0.001 . 1 . . . . 98 Arg CG . 25485 1 1139 . 1 1 98 98 ARG CD C 13 43.156 0.000 . 1 . . . . 98 Arg CD . 25485 1 1140 . 1 1 98 98 ARG N N 15 128.156 0.083 . 1 . . . . 98 Arg N . 25485 1 1141 . 1 1 99 99 ASP H H 1 8.708 0.026 . 1 . . . . 99 Asp H . 25485 1 1142 . 1 1 99 99 ASP HA H 1 4.381 0.026 . 1 . . . . 99 Asp HA . 25485 1 1143 . 1 1 99 99 ASP HB2 H 1 2.646 0.027 . 2 . . . . 99 Asp HB2 . 25485 1 1144 . 1 1 99 99 ASP HB3 H 1 3.201 0.002 . 2 . . . . 99 Asp HB3 . 25485 1 1145 . 1 1 99 99 ASP C C 13 175.675 0.014 . 1 . . . . 99 Asp C . 25485 1 1146 . 1 1 99 99 ASP CA C 13 56.432 0.022 . 1 . . . . 99 Asp CA . 25485 1 1147 . 1 1 99 99 ASP CB C 13 42.383 0.088 . 1 . . . . 99 Asp CB . 25485 1 1148 . 1 1 99 99 ASP N N 15 120.592 0.099 . 1 . . . . 99 Asp N . 25485 1 1149 . 1 1 100 100 LEU H H 1 6.916 0.021 . 1 . . . . 100 Leu H . 25485 1 1150 . 1 1 100 100 LEU HA H 1 4.956 0.017 . 1 . . . . 100 Leu HA . 25485 1 1151 . 1 1 100 100 LEU HB2 H 1 1.074 0.032 . 2 . . . . 100 Leu HB2 . 25485 1 1152 . 1 1 100 100 LEU HB3 H 1 1.136 0.024 . 2 . . . . 100 Leu HB3 . 25485 1 1153 . 1 1 100 100 LEU HG H 1 1.372 0.037 . 1 . . . . 100 Leu HG . 25485 1 1154 . 1 1 100 100 LEU HD11 H 1 0.415 0.028 . 1 . . . . 100 Leu HD11 . 25485 1 1155 . 1 1 100 100 LEU HD12 H 1 0.415 0.028 . 1 . . . . 100 Leu HD12 . 25485 1 1156 . 1 1 100 100 LEU HD13 H 1 0.415 0.028 . 1 . . . . 100 Leu HD13 . 25485 1 1157 . 1 1 100 100 LEU HD21 H 1 0.990 0.042 . 1 . . . . 100 Leu HD21 . 25485 1 1158 . 1 1 100 100 LEU HD22 H 1 0.990 0.042 . 1 . . . . 100 Leu HD22 . 25485 1 1159 . 1 1 100 100 LEU HD23 H 1 0.990 0.042 . 1 . . . . 100 Leu HD23 . 25485 1 1160 . 1 1 100 100 LEU C C 13 173.335 0.000 . 1 . . . . 100 Leu C . 25485 1 1161 . 1 1 100 100 LEU CA C 13 51.036 0.121 . 1 . . . . 100 Leu CA . 25485 1 1162 . 1 1 100 100 LEU CB C 13 46.274 0.075 . 1 . . . . 100 Leu CB . 25485 1 1163 . 1 1 100 100 LEU CG C 13 24.483 0.000 . 1 . . . . 100 Leu CG . 25485 1 1164 . 1 1 100 100 LEU CD1 C 13 25.020 0.054 . 1 . . . . 100 Leu CD1 . 25485 1 1165 . 1 1 100 100 LEU CD2 C 13 24.230 0.063 . 1 . . . . 100 Leu CD2 . 25485 1 1166 . 1 1 100 100 LEU N N 15 116.828 0.053 . 1 . . . . 100 Leu N . 25485 1 1167 . 1 1 101 101 PRO HB2 H 1 2.416 0.000 . 2 . . . . 101 Pro HB2 . 25485 1 1168 . 1 1 101 101 PRO HG2 H 1 1.841 0.009 . 2 . . . . 101 Pro HG2 . 25485 1 1169 . 1 1 101 101 PRO HD2 H 1 3.435 0.019 . 2 . . . . 101 Pro HD2 . 25485 1 1170 . 1 1 102 102 HIS HA H 1 4.177 0.014 . 1 . . . . 102 His HA . 25485 1 1171 . 1 1 102 102 HIS HB2 H 1 2.447 0.013 . 2 . . . . 102 His HB2 . 25485 1 1172 . 1 1 102 102 HIS HB3 H 1 2.729 0.030 . 2 . . . . 102 His HB3 . 25485 1 1173 . 1 1 102 102 HIS HD2 H 1 6.780 0.016 . 1 . . . . 102 His HD2 . 25485 1 1174 . 1 1 102 102 HIS C C 13 177.649 0.000 . 1 . . . . 102 His C . 25485 1 1175 . 1 1 102 102 HIS CA C 13 58.733 0.115 . 1 . . . . 102 His CA . 25485 1 1176 . 1 1 102 102 HIS CB C 13 28.439 0.084 . 1 . . . . 102 His CB . 25485 1 1177 . 1 1 102 102 HIS CD2 C 13 118.146 0.005 . 1 . . . . 102 His CD2 . 25485 1 1178 . 1 1 103 103 ILE H H 1 8.233 0.034 . 1 . . . . 103 Ile H . 25485 1 1179 . 1 1 103 103 ILE HA H 1 4.173 0.022 . 1 . . . . 103 Ile HA . 25485 1 1180 . 1 1 103 103 ILE HB H 1 1.883 0.025 . 1 . . . . 103 Ile HB . 25485 1 1181 . 1 1 103 103 ILE HG12 H 1 1.267 0.022 . 2 . . . . 103 Ile HG12 . 25485 1 1182 . 1 1 103 103 ILE HG13 H 1 1.272 0.014 . 2 . . . . 103 Ile HG13 . 25485 1 1183 . 1 1 103 103 ILE HG21 H 1 0.976 0.019 . 1 . . . . 103 Ile HG21 . 25485 1 1184 . 1 1 103 103 ILE HG22 H 1 0.976 0.019 . 1 . . . . 103 Ile HG22 . 25485 1 1185 . 1 1 103 103 ILE HG23 H 1 0.976 0.019 . 1 . . . . 103 Ile HG23 . 25485 1 1186 . 1 1 103 103 ILE HD11 H 1 0.956 0.024 . 1 . . . . 103 Ile HD11 . 25485 1 1187 . 1 1 103 103 ILE HD12 H 1 0.956 0.024 . 1 . . . . 103 Ile HD12 . 25485 1 1188 . 1 1 103 103 ILE HD13 H 1 0.956 0.024 . 1 . . . . 103 Ile HD13 . 25485 1 1189 . 1 1 103 103 ILE C C 13 177.214 0.013 . 1 . . . . 103 Ile C . 25485 1 1190 . 1 1 103 103 ILE CA C 13 63.179 0.096 . 1 . . . . 103 Ile CA . 25485 1 1191 . 1 1 103 103 ILE CB C 13 37.745 0.059 . 1 . . . . 103 Ile CB . 25485 1 1192 . 1 1 103 103 ILE CG1 C 13 28.255 0.143 . 1 . . . . 103 Ile CG1 . 25485 1 1193 . 1 1 103 103 ILE CG2 C 13 17.542 0.097 . 1 . . . . 103 Ile CG2 . 25485 1 1194 . 1 1 103 103 ILE CD1 C 13 13.673 0.115 . 1 . . . . 103 Ile CD1 . 25485 1 1195 . 1 1 103 103 ILE N N 15 115.164 0.068 . 1 . . . . 103 Ile N . 25485 1 1196 . 1 1 104 104 THR H H 1 6.947 0.021 . 1 . . . . 104 Thr H . 25485 1 1197 . 1 1 104 104 THR HA H 1 4.045 0.031 . 1 . . . . 104 Thr HA . 25485 1 1198 . 1 1 104 104 THR HB H 1 4.280 0.028 . 1 . . . . 104 Thr HB . 25485 1 1199 . 1 1 104 104 THR HG21 H 1 1.372 0.024 . 1 . . . . 104 Thr HG21 . 25485 1 1200 . 1 1 104 104 THR HG22 H 1 1.372 0.024 . 1 . . . . 104 Thr HG22 . 25485 1 1201 . 1 1 104 104 THR HG23 H 1 1.372 0.024 . 1 . . . . 104 Thr HG23 . 25485 1 1202 . 1 1 104 104 THR C C 13 175.616 0.013 . 1 . . . . 104 Thr C . 25485 1 1203 . 1 1 104 104 THR CA C 13 66.565 0.044 . 1 . . . . 104 Thr CA . 25485 1 1204 . 1 1 104 104 THR CB C 13 68.080 0.060 . 1 . . . . 104 Thr CB . 25485 1 1205 . 1 1 104 104 THR CG2 C 13 22.598 0.068 . 1 . . . . 104 Thr CG2 . 25485 1 1206 . 1 1 104 104 THR N N 15 119.374 0.075 . 1 . . . . 104 Thr N . 25485 1 1207 . 1 1 105 105 VAL H H 1 7.404 0.028 . 1 . . . . 105 Val H . 25485 1 1208 . 1 1 105 105 VAL HA H 1 3.437 0.020 . 1 . . . . 105 Val HA . 25485 1 1209 . 1 1 105 105 VAL HB H 1 2.425 0.022 . 1 . . . . 105 Val HB . 25485 1 1210 . 1 1 105 105 VAL HG11 H 1 0.841 0.030 . 1 . . . . 105 Val HG11 . 25485 1 1211 . 1 1 105 105 VAL HG12 H 1 0.841 0.030 . 1 . . . . 105 Val HG12 . 25485 1 1212 . 1 1 105 105 VAL HG13 H 1 0.841 0.030 . 1 . . . . 105 Val HG13 . 25485 1 1213 . 1 1 105 105 VAL HG21 H 1 0.587 0.029 . 1 . . . . 105 Val HG21 . 25485 1 1214 . 1 1 105 105 VAL HG22 H 1 0.587 0.029 . 1 . . . . 105 Val HG22 . 25485 1 1215 . 1 1 105 105 VAL HG23 H 1 0.587 0.029 . 1 . . . . 105 Val HG23 . 25485 1 1216 . 1 1 105 105 VAL C C 13 177.324 0.005 . 1 . . . . 105 Val C . 25485 1 1217 . 1 1 105 105 VAL CA C 13 67.937 0.144 . 1 . . . . 105 Val CA . 25485 1 1218 . 1 1 105 105 VAL CB C 13 31.223 0.082 . 1 . . . . 105 Val CB . 25485 1 1219 . 1 1 105 105 VAL CG1 C 13 21.038 0.105 . 1 . . . . 105 Val CG1 . 25485 1 1220 . 1 1 105 105 VAL CG2 C 13 24.256 0.040 . 1 . . . . 105 Val CG2 . 25485 1 1221 . 1 1 105 105 VAL N N 15 123.263 0.040 . 1 . . . . 105 Val N . 25485 1 1222 . 1 1 106 106 ASP H H 1 8.628 0.022 . 1 . . . . 106 Asp H . 25485 1 1223 . 1 1 106 106 ASP HA H 1 4.327 0.010 . 1 . . . . 106 Asp HA . 25485 1 1224 . 1 1 106 106 ASP HB2 H 1 2.662 0.035 . 2 . . . . 106 Asp HB2 . 25485 1 1225 . 1 1 106 106 ASP HB3 H 1 2.989 0.020 . 2 . . . . 106 Asp HB3 . 25485 1 1226 . 1 1 106 106 ASP C C 13 179.745 0.008 . 1 . . . . 106 Asp C . 25485 1 1227 . 1 1 106 106 ASP CA C 13 58.233 0.067 . 1 . . . . 106 Asp CA . 25485 1 1228 . 1 1 106 106 ASP CB C 13 40.369 0.039 . 1 . . . . 106 Asp CB . 25485 1 1229 . 1 1 106 106 ASP N N 15 119.972 0.038 . 1 . . . . 106 Asp N . 25485 1 1230 . 1 1 107 107 ARG H H 1 8.356 0.030 . 1 . . . . 107 Arg H . 25485 1 1231 . 1 1 107 107 ARG HA H 1 4.178 0.016 . 1 . . . . 107 Arg HA . 25485 1 1232 . 1 1 107 107 ARG HB2 H 1 2.016 0.016 . 2 . . . . 107 Arg HB2 . 25485 1 1233 . 1 1 107 107 ARG HB3 H 1 2.083 0.024 . 2 . . . . 107 Arg HB3 . 25485 1 1234 . 1 1 107 107 ARG HG2 H 1 1.728 0.012 . 2 . . . . 107 Arg HG2 . 25485 1 1235 . 1 1 107 107 ARG HG3 H 1 2.040 0.030 . 2 . . . . 107 Arg HG3 . 25485 1 1236 . 1 1 107 107 ARG HD2 H 1 3.349 0.028 . 2 . . . . 107 Arg HD2 . 25485 1 1237 . 1 1 107 107 ARG HD3 H 1 3.349 0.028 . 2 . . . . 107 Arg HD3 . 25485 1 1238 . 1 1 107 107 ARG HE H 1 7.715 0.002 . 1 . . . . 107 Arg HE . 25485 1 1239 . 1 1 107 107 ARG C C 13 179.489 0.015 . 1 . . . . 107 Arg C . 25485 1 1240 . 1 1 107 107 ARG CA C 13 59.544 0.104 . 1 . . . . 107 Arg CA . 25485 1 1241 . 1 1 107 107 ARG CB C 13 30.200 0.088 . 1 . . . . 107 Arg CB . 25485 1 1242 . 1 1 107 107 ARG CG C 13 27.718 0.127 . 1 . . . . 107 Arg CG . 25485 1 1243 . 1 1 107 107 ARG CD C 13 43.572 0.037 . 1 . . . . 107 Arg CD . 25485 1 1244 . 1 1 107 107 ARG N N 15 121.033 0.042 . 1 . . . . 107 Arg N . 25485 1 1245 . 1 1 107 107 ARG NE N 15 116.853 0.057 . 1 . . . . 107 Arg NE . 25485 1 1246 . 1 1 108 108 LEU H H 1 8.790 0.035 . 1 . . . . 108 Leu H . 25485 1 1247 . 1 1 108 108 LEU HA H 1 4.305 0.036 . 1 . . . . 108 Leu HA . 25485 1 1248 . 1 1 108 108 LEU HB2 H 1 1.408 0.009 . 2 . . . . 108 Leu HB2 . 25485 1 1249 . 1 1 108 108 LEU HB3 H 1 2.238 0.018 . 2 . . . . 108 Leu HB3 . 25485 1 1250 . 1 1 108 108 LEU HG H 1 2.372 0.014 . 1 . . . . 108 Leu HG . 25485 1 1251 . 1 1 108 108 LEU HD11 H 1 1.132 0.022 . 1 . . . . 108 Leu HD11 . 25485 1 1252 . 1 1 108 108 LEU HD12 H 1 1.132 0.022 . 1 . . . . 108 Leu HD12 . 25485 1 1253 . 1 1 108 108 LEU HD13 H 1 1.132 0.022 . 1 . . . . 108 Leu HD13 . 25485 1 1254 . 1 1 108 108 LEU HD21 H 1 1.104 0.022 . 1 . . . . 108 Leu HD21 . 25485 1 1255 . 1 1 108 108 LEU HD22 H 1 1.104 0.022 . 1 . . . . 108 Leu HD22 . 25485 1 1256 . 1 1 108 108 LEU HD23 H 1 1.104 0.022 . 1 . . . . 108 Leu HD23 . 25485 1 1257 . 1 1 108 108 LEU C C 13 178.856 0.020 . 1 . . . . 108 Leu C . 25485 1 1258 . 1 1 108 108 LEU CA C 13 57.917 0.147 . 1 . . . . 108 Leu CA . 25485 1 1259 . 1 1 108 108 LEU CB C 13 41.313 0.096 . 1 . . . . 108 Leu CB . 25485 1 1260 . 1 1 108 108 LEU CG C 13 26.988 0.036 . 1 . . . . 108 Leu CG . 25485 1 1261 . 1 1 108 108 LEU CD1 C 13 26.320 0.075 . 1 . . . . 108 Leu CD1 . 25485 1 1262 . 1 1 108 108 LEU CD2 C 13 22.375 0.118 . 1 . . . . 108 Leu CD2 . 25485 1 1263 . 1 1 108 108 LEU N N 15 121.466 0.053 . 1 . . . . 108 Leu N . 25485 1 1264 . 1 1 109 109 VAL H H 1 8.787 0.030 . 1 . . . . 109 Val H . 25485 1 1265 . 1 1 109 109 VAL HA H 1 3.400 0.027 . 1 . . . . 109 Val HA . 25485 1 1266 . 1 1 109 109 VAL HB H 1 2.269 0.023 . 1 . . . . 109 Val HB . 25485 1 1267 . 1 1 109 109 VAL HG11 H 1 0.628 0.026 . 1 . . . . 109 Val HG11 . 25485 1 1268 . 1 1 109 109 VAL HG12 H 1 0.628 0.026 . 1 . . . . 109 Val HG12 . 25485 1 1269 . 1 1 109 109 VAL HG13 H 1 0.628 0.026 . 1 . . . . 109 Val HG13 . 25485 1 1270 . 1 1 109 109 VAL HG21 H 1 1.132 0.025 . 1 . . . . 109 Val HG21 . 25485 1 1271 . 1 1 109 109 VAL HG22 H 1 1.132 0.025 . 1 . . . . 109 Val HG22 . 25485 1 1272 . 1 1 109 109 VAL HG23 H 1 1.132 0.025 . 1 . . . . 109 Val HG23 . 25485 1 1273 . 1 1 109 109 VAL C C 13 177.018 0.002 . 1 . . . . 109 Val C . 25485 1 1274 . 1 1 109 109 VAL CA C 13 67.963 0.172 . 1 . . . . 109 Val CA . 25485 1 1275 . 1 1 109 109 VAL CB C 13 31.120 0.107 . 1 . . . . 109 Val CB . 25485 1 1276 . 1 1 109 109 VAL CG1 C 13 22.341 0.082 . 1 . . . . 109 Val CG1 . 25485 1 1277 . 1 1 109 109 VAL CG2 C 13 24.087 0.085 . 1 . . . . 109 Val CG2 . 25485 1 1278 . 1 1 109 109 VAL N N 15 120.233 0.058 . 1 . . . . 109 Val N . 25485 1 1279 . 1 1 110 110 SER H H 1 7.605 0.021 . 1 . . . . 110 Ser H . 25485 1 1280 . 1 1 110 110 SER HA H 1 4.300 0.000 . 1 . . . . 110 Ser HA . 25485 1 1281 . 1 1 110 110 SER HB2 H 1 4.067 0.024 . 2 . . . . 110 Ser HB2 . 25485 1 1282 . 1 1 110 110 SER HB3 H 1 4.067 0.025 . 2 . . . . 110 Ser HB3 . 25485 1 1283 . 1 1 110 110 SER C C 13 176.811 0.163 . 1 . . . . 110 Ser C . 25485 1 1284 . 1 1 110 110 SER CA C 13 61.779 0.208 . 1 . . . . 110 Ser CA . 25485 1 1285 . 1 1 110 110 SER CB C 13 62.751 0.088 . 1 . . . . 110 Ser CB . 25485 1 1286 . 1 1 110 110 SER N N 15 112.862 0.070 . 1 . . . . 110 Ser N . 25485 1 1287 . 1 1 111 111 LYS H H 1 8.156 0.036 . 1 . . . . 111 Lys H . 25485 1 1288 . 1 1 111 111 LYS HA H 1 4.061 0.022 . 1 . . . . 111 Lys HA . 25485 1 1289 . 1 1 111 111 LYS HB2 H 1 1.972 0.022 . 2 . . . . 111 Lys HB2 . 25485 1 1290 . 1 1 111 111 LYS HB3 H 1 1.973 0.022 . 2 . . . . 111 Lys HB3 . 25485 1 1291 . 1 1 111 111 LYS HG2 H 1 1.663 0.037 . 2 . . . . 111 Lys HG2 . 25485 1 1292 . 1 1 111 111 LYS HG3 H 1 1.663 0.037 . 2 . . . . 111 Lys HG3 . 25485 1 1293 . 1 1 111 111 LYS HD2 H 1 2.241 0.007 . 2 . . . . 111 Lys HD2 . 25485 1 1294 . 1 1 111 111 LYS HD3 H 1 2.241 0.007 . 2 . . . . 111 Lys HD3 . 25485 1 1295 . 1 1 111 111 LYS HE2 H 1 3.002 0.010 . 2 . . . . 111 Lys HE2 . 25485 1 1296 . 1 1 111 111 LYS HE3 H 1 3.002 0.010 . 2 . . . . 111 Lys HE3 . 25485 1 1297 . 1 1 111 111 LYS C C 13 178.312 0.011 . 1 . . . . 111 Lys C . 25485 1 1298 . 1 1 111 111 LYS CA C 13 59.756 0.127 . 1 . . . . 111 Lys CA . 25485 1 1299 . 1 1 111 111 LYS CB C 13 32.472 0.097 . 1 . . . . 111 Lys CB . 25485 1 1300 . 1 1 111 111 LYS CG C 13 25.245 0.171 . 1 . . . . 111 Lys CG . 25485 1 1301 . 1 1 111 111 LYS CD C 13 29.051 0.000 . 1 . . . . 111 Lys CD . 25485 1 1302 . 1 1 111 111 LYS CE C 13 41.886 0.063 . 1 . . . . 111 Lys CE . 25485 1 1303 . 1 1 111 111 LYS N N 15 122.319 0.101 . 1 . . . . 111 Lys N . 25485 1 1304 . 1 1 112 112 ALA H H 1 8.278 0.030 . 1 . . . . 112 Ala H . 25485 1 1305 . 1 1 112 112 ALA HA H 1 4.099 0.040 . 1 . . . . 112 Ala HA . 25485 1 1306 . 1 1 112 112 ALA HB1 H 1 1.338 0.026 . 1 . . . . 112 Ala HB1 . 25485 1 1307 . 1 1 112 112 ALA HB2 H 1 1.338 0.026 . 1 . . . . 112 Ala HB2 . 25485 1 1308 . 1 1 112 112 ALA HB3 H 1 1.338 0.026 . 1 . . . . 112 Ala HB3 . 25485 1 1309 . 1 1 112 112 ALA C C 13 179.446 0.005 . 1 . . . . 112 Ala C . 25485 1 1310 . 1 1 112 112 ALA CA C 13 55.210 0.095 . 1 . . . . 112 Ala CA . 25485 1 1311 . 1 1 112 112 ALA CB C 13 19.974 0.051 . 1 . . . . 112 Ala CB . 25485 1 1312 . 1 1 112 112 ALA N N 15 124.147 0.106 . 1 . . . . 112 Ala N . 25485 1 1313 . 1 1 113 113 LEU H H 1 8.021 0.029 . 1 . . . . 113 Leu H . 25485 1 1314 . 1 1 113 113 LEU HA H 1 3.751 0.017 . 1 . . . . 113 Leu HA . 25485 1 1315 . 1 1 113 113 LEU HB2 H 1 0.596 0.022 . 2 . . . . 113 Leu HB2 . 25485 1 1316 . 1 1 113 113 LEU HB3 H 1 1.346 0.022 . 2 . . . . 113 Leu HB3 . 25485 1 1317 . 1 1 113 113 LEU HG H 1 0.666 0.035 . 1 . . . . 113 Leu HG . 25485 1 1318 . 1 1 113 113 LEU HD11 H 1 -0.392 0.019 . 1 . . . . 113 Leu HD11 . 25485 1 1319 . 1 1 113 113 LEU HD12 H 1 -0.392 0.019 . 1 . . . . 113 Leu HD12 . 25485 1 1320 . 1 1 113 113 LEU HD13 H 1 -0.392 0.019 . 1 . . . . 113 Leu HD13 . 25485 1 1321 . 1 1 113 113 LEU HD21 H 1 -0.176 0.025 . 1 . . . . 113 Leu HD21 . 25485 1 1322 . 1 1 113 113 LEU HD22 H 1 -0.176 0.025 . 1 . . . . 113 Leu HD22 . 25485 1 1323 . 1 1 113 113 LEU HD23 H 1 -0.176 0.025 . 1 . . . . 113 Leu HD23 . 25485 1 1324 . 1 1 113 113 LEU C C 13 179.537 0.017 . 1 . . . . 113 Leu C . 25485 1 1325 . 1 1 113 113 LEU CA C 13 57.723 0.037 . 1 . . . . 113 Leu CA . 25485 1 1326 . 1 1 113 113 LEU CB C 13 40.567 0.098 . 1 . . . . 113 Leu CB . 25485 1 1327 . 1 1 113 113 LEU CG C 13 22.495 0.117 . 1 . . . . 113 Leu CG . 25485 1 1328 . 1 1 113 113 LEU CD1 C 13 24.472 0.122 . 1 . . . . 113 Leu CD1 . 25485 1 1329 . 1 1 113 113 LEU CD2 C 13 22.014 0.053 . 1 . . . . 113 Leu CD2 . 25485 1 1330 . 1 1 113 113 LEU N N 15 116.195 0.081 . 1 . . . . 113 Leu N . 25485 1 1331 . 1 1 114 114 ASN H H 1 8.212 0.025 . 1 . . . . 114 Asn H . 25485 1 1332 . 1 1 114 114 ASN HA H 1 4.546 0.032 . 1 . . . . 114 Asn HA . 25485 1 1333 . 1 1 114 114 ASN HB2 H 1 2.827 0.023 . 2 . . . . 114 Asn HB2 . 25485 1 1334 . 1 1 114 114 ASN HB3 H 1 2.832 0.025 . 2 . . . . 114 Asn HB3 . 25485 1 1335 . 1 1 114 114 ASN HD21 H 1 6.838 0.000 . 1 . . . . 114 Asn HD21 . 25485 1 1336 . 1 1 114 114 ASN HD22 H 1 7.508 0.000 . 1 . . . . 114 Asn HD22 . 25485 1 1337 . 1 1 114 114 ASN C C 13 177.134 0.010 . 1 . . . . 114 Asn C . 25485 1 1338 . 1 1 114 114 ASN CA C 13 55.748 0.246 . 1 . . . . 114 Asn CA . 25485 1 1339 . 1 1 114 114 ASN CB C 13 38.637 0.095 . 1 . . . . 114 Asn CB . 25485 1 1340 . 1 1 114 114 ASN N N 15 116.570 0.060 . 1 . . . . 114 Asn N . 25485 1 1341 . 1 1 114 114 ASN ND2 N 15 113.960 0.000 . 1 . . . . 114 Asn ND2 . 25485 1 1342 . 1 1 115 115 MET H H 1 7.937 0.031 . 1 . . . . 115 Met H . 25485 1 1343 . 1 1 115 115 MET HA H 1 4.010 0.028 . 1 . . . . 115 Met HA . 25485 1 1344 . 1 1 115 115 MET HB2 H 1 1.612 0.018 . 2 . . . . 115 Met HB2 . 25485 1 1345 . 1 1 115 115 MET HB3 H 1 2.221 0.023 . 2 . . . . 115 Met HB3 . 25485 1 1346 . 1 1 115 115 MET HE1 H 1 1.715 0.034 . 1 . . . . 115 Met HE1 . 25485 1 1347 . 1 1 115 115 MET HE2 H 1 1.715 0.034 . 1 . . . . 115 Met HE2 . 25485 1 1348 . 1 1 115 115 MET HE3 H 1 1.715 0.034 . 1 . . . . 115 Met HE3 . 25485 1 1349 . 1 1 115 115 MET C C 13 177.682 0.033 . 1 . . . . 115 Met C . 25485 1 1350 . 1 1 115 115 MET CA C 13 59.408 0.082 . 1 . . . . 115 Met CA . 25485 1 1351 . 1 1 115 115 MET CB C 13 31.566 0.100 . 1 . . . . 115 Met CB . 25485 1 1352 . 1 1 115 115 MET CE C 13 16.614 0.019 . 1 . . . . 115 Met CE . 25485 1 1353 . 1 1 115 115 MET N N 15 122.055 0.067 . 1 . . . . 115 Met N . 25485 1 1354 . 1 1 116 116 TRP H H 1 6.783 0.029 . 1 . . . . 116 Trp H . 25485 1 1355 . 1 1 116 116 TRP HA H 1 4.518 0.015 . 1 . . . . 116 Trp HA . 25485 1 1356 . 1 1 116 116 TRP HB2 H 1 3.104 0.029 . 2 . . . . 116 Trp HB2 . 25485 1 1357 . 1 1 116 116 TRP HB3 H 1 3.107 0.029 . 2 . . . . 116 Trp HB3 . 25485 1 1358 . 1 1 116 116 TRP HD1 H 1 7.065 0.013 . 1 . . . . 116 Trp HD1 . 25485 1 1359 . 1 1 116 116 TRP HE1 H 1 10.290 0.021 . 1 . . . . 116 Trp HE1 . 25485 1 1360 . 1 1 116 116 TRP HE3 H 1 7.474 0.015 . 1 . . . . 116 Trp HE3 . 25485 1 1361 . 1 1 116 116 TRP HZ2 H 1 7.230 0.026 . 1 . . . . 116 Trp HZ2 . 25485 1 1362 . 1 1 116 116 TRP HZ3 H 1 7.134 0.019 . 1 . . . . 116 Trp HZ3 . 25485 1 1363 . 1 1 116 116 TRP HH2 H 1 6.944 0.011 . 1 . . . . 116 Trp HH2 . 25485 1 1364 . 1 1 116 116 TRP C C 13 179.054 0.012 . 1 . . . . 116 Trp C . 25485 1 1365 . 1 1 116 116 TRP CA C 13 59.502 0.075 . 1 . . . . 116 Trp CA . 25485 1 1366 . 1 1 116 116 TRP CB C 13 30.910 0.048 . 1 . . . . 116 Trp CB . 25485 1 1367 . 1 1 116 116 TRP CD1 C 13 126.862 0.021 . 1 . . . . 116 Trp CD1 . 25485 1 1368 . 1 1 116 116 TRP CE3 C 13 120.269 0.031 . 1 . . . . 116 Trp CE3 . 25485 1 1369 . 1 1 116 116 TRP CZ2 C 13 114.878 0.005 . 1 . . . . 116 Trp CZ2 . 25485 1 1370 . 1 1 116 116 TRP CZ3 C 13 121.487 0.091 . 1 . . . . 116 Trp CZ3 . 25485 1 1371 . 1 1 116 116 TRP CH2 C 13 123.580 0.000 . 1 . . . . 116 Trp CH2 . 25485 1 1372 . 1 1 116 116 TRP N N 15 117.115 0.017 . 1 . . . . 116 Trp N . 25485 1 1373 . 1 1 116 116 TRP NE1 N 15 129.374 0.066 . 1 . . . . 116 Trp NE1 . 25485 1 1374 . 1 1 117 117 GLY H H 1 9.302 0.021 . 1 . . . . 117 Gly H . 25485 1 1375 . 1 1 117 117 GLY HA2 H 1 3.886 0.027 . 1 . . . . 117 Gly HA2 . 25485 1 1376 . 1 1 117 117 GLY HA3 H 1 4.247 0.016 . 1 . . . . 117 Gly HA3 . 25485 1 1377 . 1 1 117 117 GLY C C 13 175.035 0.013 . 1 . . . . 117 Gly C . 25485 1 1378 . 1 1 117 117 GLY CA C 13 46.966 0.056 . 1 . . . . 117 Gly CA . 25485 1 1379 . 1 1 117 117 GLY N N 15 104.511 0.032 . 1 . . . . 117 Gly N . 25485 1 1380 . 1 1 118 118 LYS H H 1 7.940 0.028 . 1 . . . . 118 Lys H . 25485 1 1381 . 1 1 118 118 LYS HA H 1 4.207 0.023 . 1 . . . . 118 Lys HA . 25485 1 1382 . 1 1 118 118 LYS HB2 H 1 1.829 0.028 . 2 . . . . 118 Lys HB2 . 25485 1 1383 . 1 1 118 118 LYS HB3 H 1 2.039 0.021 . 2 . . . . 118 Lys HB3 . 25485 1 1384 . 1 1 118 118 LYS HG2 H 1 1.403 0.038 . 2 . . . . 118 Lys HG2 . 25485 1 1385 . 1 1 118 118 LYS HG3 H 1 1.403 0.038 . 2 . . . . 118 Lys HG3 . 25485 1 1386 . 1 1 118 118 LYS HD2 H 1 2.023 0.000 . 2 . . . . 118 Lys HD2 . 25485 1 1387 . 1 1 118 118 LYS HD3 H 1 2.023 0.000 . 2 . . . . 118 Lys HD3 . 25485 1 1388 . 1 1 118 118 LYS HE2 H 1 3.084 0.028 . 2 . . . . 118 Lys HE2 . 25485 1 1389 . 1 1 118 118 LYS HE3 H 1 3.084 0.028 . 2 . . . . 118 Lys HE3 . 25485 1 1390 . 1 1 118 118 LYS C C 13 177.235 0.031 . 1 . . . . 118 Lys C . 25485 1 1391 . 1 1 118 118 LYS CA C 13 57.997 0.030 . 1 . . . . 118 Lys CA . 25485 1 1392 . 1 1 118 118 LYS CB C 13 31.921 0.124 . 1 . . . . 118 Lys CB . 25485 1 1393 . 1 1 118 118 LYS CG C 13 24.153 0.003 . 1 . . . . 118 Lys CG . 25485 1 1394 . 1 1 118 118 LYS CD C 13 29.264 0.000 . 1 . . . . 118 Lys CD . 25485 1 1395 . 1 1 118 118 LYS CE C 13 42.292 0.037 . 1 . . . . 118 Lys CE . 25485 1 1396 . 1 1 118 118 LYS N N 15 118.580 0.068 . 1 . . . . 118 Lys N . 25485 1 1397 . 1 1 119 119 GLU H H 1 7.763 0.010 . 1 . . . . 119 Glu H . 25485 1 1398 . 1 1 119 119 GLU HA H 1 4.838 0.000 . 1 . . . . 119 Glu HA . 25485 1 1399 . 1 1 119 119 GLU HB2 H 1 2.050 0.027 . 2 . . . . 119 Glu HB2 . 25485 1 1400 . 1 1 119 119 GLU HB3 H 1 2.031 0.004 . 2 . . . . 119 Glu HB3 . 25485 1 1401 . 1 1 119 119 GLU HG2 H 1 2.525 0.000 . 2 . . . . 119 Glu HG2 . 25485 1 1402 . 1 1 119 119 GLU HG3 H 1 2.525 0.000 . 2 . . . . 119 Glu HG3 . 25485 1 1403 . 1 1 119 119 GLU C C 13 178.029 0.033 . 1 . . . . 119 Glu C . 25485 1 1404 . 1 1 119 119 GLU CA C 13 55.277 0.060 . 1 . . . . 119 Glu CA . 25485 1 1405 . 1 1 119 119 GLU CB C 13 30.657 0.163 . 1 . . . . 119 Glu CB . 25485 1 1406 . 1 1 119 119 GLU CG C 13 34.103 0.000 . 1 . . . . 119 Glu CG . 25485 1 1407 . 1 1 119 119 GLU N N 15 113.749 0.190 . 1 . . . . 119 Glu N . 25485 1 1408 . 1 1 120 120 ILE H H 1 7.518 0.025 . 1 . . . . 120 Ile H . 25485 1 1409 . 1 1 120 120 ILE HA H 1 5.371 0.011 . 1 . . . . 120 Ile HA . 25485 1 1410 . 1 1 120 120 ILE HB H 1 1.757 0.020 . 1 . . . . 120 Ile HB . 25485 1 1411 . 1 1 120 120 ILE HG12 H 1 1.742 0.036 . 2 . . . . 120 Ile HG12 . 25485 1 1412 . 1 1 120 120 ILE HG13 H 1 1.742 0.036 . 2 . . . . 120 Ile HG13 . 25485 1 1413 . 1 1 120 120 ILE HG21 H 1 1.312 0.029 . 1 . . . . 120 Ile HG21 . 25485 1 1414 . 1 1 120 120 ILE HG22 H 1 1.312 0.029 . 1 . . . . 120 Ile HG22 . 25485 1 1415 . 1 1 120 120 ILE HG23 H 1 1.312 0.029 . 1 . . . . 120 Ile HG23 . 25485 1 1416 . 1 1 120 120 ILE HD11 H 1 0.570 0.033 . 1 . . . . 120 Ile HD11 . 25485 1 1417 . 1 1 120 120 ILE HD12 H 1 0.570 0.033 . 1 . . . . 120 Ile HD12 . 25485 1 1418 . 1 1 120 120 ILE HD13 H 1 0.570 0.033 . 1 . . . . 120 Ile HD13 . 25485 1 1419 . 1 1 120 120 ILE C C 13 174.033 0.000 . 1 . . . . 120 Ile C . 25485 1 1420 . 1 1 120 120 ILE CA C 13 58.438 0.057 . 1 . . . . 120 Ile CA . 25485 1 1421 . 1 1 120 120 ILE CB C 13 41.866 0.091 . 1 . . . . 120 Ile CB . 25485 1 1422 . 1 1 120 120 ILE CG1 C 13 23.778 0.046 . 1 . . . . 120 Ile CG1 . 25485 1 1423 . 1 1 120 120 ILE CG2 C 13 20.333 0.096 . 1 . . . . 120 Ile CG2 . 25485 1 1424 . 1 1 120 120 ILE CD1 C 13 14.165 0.113 . 1 . . . . 120 Ile CD1 . 25485 1 1425 . 1 1 120 120 ILE N N 15 111.144 0.062 . 1 . . . . 120 Ile N . 25485 1 1426 . 1 1 121 121 PRO HA H 1 4.662 0.019 . 1 . . . . 121 Pro HA . 25485 1 1427 . 1 1 121 121 PRO HB2 H 1 1.999 0.010 . 2 . . . . 121 Pro HB2 . 25485 1 1428 . 1 1 121 121 PRO HB3 H 1 2.276 0.024 . 2 . . . . 121 Pro HB3 . 25485 1 1429 . 1 1 121 121 PRO HG2 H 1 2.001 0.011 . 2 . . . . 121 Pro HG2 . 25485 1 1430 . 1 1 121 121 PRO HG3 H 1 2.006 0.011 . 2 . . . . 121 Pro HG3 . 25485 1 1431 . 1 1 121 121 PRO HD2 H 1 3.310 0.024 . 2 . . . . 121 Pro HD2 . 25485 1 1432 . 1 1 121 121 PRO HD3 H 1 3.330 0.020 . 2 . . . . 121 Pro HD3 . 25485 1 1433 . 1 1 121 121 PRO C C 13 174.781 0.014 . 1 . . . . 121 Pro C . 25485 1 1434 . 1 1 121 121 PRO CA C 13 62.013 0.077 . 1 . . . . 121 Pro CA . 25485 1 1435 . 1 1 121 121 PRO CB C 13 29.369 0.145 . 1 . . . . 121 Pro CB . 25485 1 1436 . 1 1 121 121 PRO CG C 13 27.555 0.059 . 1 . . . . 121 Pro CG . 25485 1 1437 . 1 1 121 121 PRO CD C 13 50.630 0.053 . 1 . . . . 121 Pro CD . 25485 1 1438 . 1 1 122 122 LEU H H 1 6.847 0.022 . 1 . . . . 122 Leu H . 25485 1 1439 . 1 1 122 122 LEU HA H 1 4.339 0.031 . 1 . . . . 122 Leu HA . 25485 1 1440 . 1 1 122 122 LEU HB2 H 1 0.776 0.023 . 2 . . . . 122 Leu HB2 . 25485 1 1441 . 1 1 122 122 LEU HB3 H 1 0.831 0.016 . 2 . . . . 122 Leu HB3 . 25485 1 1442 . 1 1 122 122 LEU HG H 1 0.924 0.019 . 1 . . . . 122 Leu HG . 25485 1 1443 . 1 1 122 122 LEU HD11 H 1 0.490 0.030 . 1 . . . . 122 Leu HD11 . 25485 1 1444 . 1 1 122 122 LEU HD12 H 1 0.490 0.030 . 1 . . . . 122 Leu HD12 . 25485 1 1445 . 1 1 122 122 LEU HD13 H 1 0.490 0.030 . 1 . . . . 122 Leu HD13 . 25485 1 1446 . 1 1 122 122 LEU HD21 H 1 0.486 0.032 . 1 . . . . 122 Leu HD21 . 25485 1 1447 . 1 1 122 122 LEU HD22 H 1 0.486 0.032 . 1 . . . . 122 Leu HD22 . 25485 1 1448 . 1 1 122 122 LEU HD23 H 1 0.486 0.032 . 1 . . . . 122 Leu HD23 . 25485 1 1449 . 1 1 122 122 LEU C C 13 173.975 0.013 . 1 . . . . 122 Leu C . 25485 1 1450 . 1 1 122 122 LEU CA C 13 54.538 0.067 . 1 . . . . 122 Leu CA . 25485 1 1451 . 1 1 122 122 LEU CB C 13 45.399 0.106 . 1 . . . . 122 Leu CB . 25485 1 1452 . 1 1 122 122 LEU CG C 13 26.762 0.026 . 1 . . . . 122 Leu CG . 25485 1 1453 . 1 1 122 122 LEU CD1 C 13 23.812 0.047 . 1 . . . . 122 Leu CD1 . 25485 1 1454 . 1 1 122 122 LEU CD2 C 13 23.748 0.079 . 1 . . . . 122 Leu CD2 . 25485 1 1455 . 1 1 122 122 LEU N N 15 121.529 0.096 . 1 . . . . 122 Leu N . 25485 1 1456 . 1 1 123 123 HIS H H 1 7.760 0.039 . 1 . . . . 123 His H . 25485 1 1457 . 1 1 123 123 HIS HA H 1 4.607 0.020 . 1 . . . . 123 His HA . 25485 1 1458 . 1 1 123 123 HIS HB2 H 1 2.893 0.014 . 2 . . . . 123 His HB2 . 25485 1 1459 . 1 1 123 123 HIS HB3 H 1 3.026 0.027 . 2 . . . . 123 His HB3 . 25485 1 1460 . 1 1 123 123 HIS HD1 H 1 10.040 0.000 . 1 . . . . 123 His HD1 . 25485 1 1461 . 1 1 123 123 HIS HD2 H 1 6.845 0.015 . 1 . . . . 123 His HD2 . 25485 1 1462 . 1 1 123 123 HIS HE1 H 1 7.809 0.007 . 1 . . . . 123 His HE1 . 25485 1 1463 . 1 1 123 123 HIS C C 13 172.820 0.002 . 1 . . . . 123 His C . 25485 1 1464 . 1 1 123 123 HIS CA C 13 54.505 0.129 . 1 . . . . 123 His CA . 25485 1 1465 . 1 1 123 123 HIS CB C 13 33.106 0.095 . 1 . . . . 123 His CB . 25485 1 1466 . 1 1 123 123 HIS CD2 C 13 120.943 0.000 . 1 . . . . 123 His CD2 . 25485 1 1467 . 1 1 123 123 HIS CE1 C 13 138.816 0.000 . 1 . . . . 123 His CE1 . 25485 1 1468 . 1 1 123 123 HIS N N 15 121.054 0.106 . 1 . . . . 123 His N . 25485 1 1469 . 1 1 124 124 PHE H H 1 8.306 0.036 . 1 . . . . 124 Phe H . 25485 1 1470 . 1 1 124 124 PHE HA H 1 5.834 0.021 . 1 . . . . 124 Phe HA . 25485 1 1471 . 1 1 124 124 PHE HB2 H 1 2.882 0.023 . 2 . . . . 124 Phe HB2 . 25485 1 1472 . 1 1 124 124 PHE HB3 H 1 2.992 0.039 . 2 . . . . 124 Phe HB3 . 25485 1 1473 . 1 1 124 124 PHE HD1 H 1 7.120 0.020 . 1 . . . . 124 Phe HD1 . 25485 1 1474 . 1 1 124 124 PHE HD2 H 1 7.120 0.020 . 1 . . . . 124 Phe HD2 . 25485 1 1475 . 1 1 124 124 PHE HE1 H 1 6.884 0.018 . 1 . . . . 124 Phe HE1 . 25485 1 1476 . 1 1 124 124 PHE HE2 H 1 6.884 0.018 . 1 . . . . 124 Phe HE2 . 25485 1 1477 . 1 1 124 124 PHE C C 13 175.677 0.002 . 1 . . . . 124 Phe C . 25485 1 1478 . 1 1 124 124 PHE CA C 13 56.296 0.059 . 1 . . . . 124 Phe CA . 25485 1 1479 . 1 1 124 124 PHE CB C 13 41.834 0.016 . 1 . . . . 124 Phe CB . 25485 1 1480 . 1 1 124 124 PHE CD1 C 13 132.218 0.063 . 1 . . . . 124 Phe CD1 . 25485 1 1481 . 1 1 124 124 PHE CD2 C 13 132.218 0.063 . 1 . . . . 124 Phe CD2 . 25485 1 1482 . 1 1 124 124 PHE CE1 C 13 130.389 0.001 . 1 . . . . 124 Phe CE1 . 25485 1 1483 . 1 1 124 124 PHE CE2 C 13 130.389 0.001 . 1 . . . . 124 Phe CE2 . 25485 1 1484 . 1 1 124 124 PHE N N 15 120.465 0.115 . 1 . . . . 124 Phe N . 25485 1 1485 . 1 1 125 125 ARG H H 1 8.426 0.028 . 1 . . . . 125 Arg H . 25485 1 1486 . 1 1 125 125 ARG HA H 1 4.711 0.023 . 1 . . . . 125 Arg HA . 25485 1 1487 . 1 1 125 125 ARG HB2 H 1 1.496 0.030 . 2 . . . . 125 Arg HB2 . 25485 1 1488 . 1 1 125 125 ARG HB3 H 1 1.496 0.029 . 2 . . . . 125 Arg HB3 . 25485 1 1489 . 1 1 125 125 ARG HG2 H 1 1.355 0.014 . 2 . . . . 125 Arg HG2 . 25485 1 1490 . 1 1 125 125 ARG HG3 H 1 1.538 0.035 . 2 . . . . 125 Arg HG3 . 25485 1 1491 . 1 1 125 125 ARG HD2 H 1 3.141 0.015 . 2 . . . . 125 Arg HD2 . 25485 1 1492 . 1 1 125 125 ARG HD3 H 1 3.141 0.015 . 2 . . . . 125 Arg HD3 . 25485 1 1493 . 1 1 125 125 ARG HE H 1 6.516 0.006 . 1 . . . . 125 Arg HE . 25485 1 1494 . 1 1 125 125 ARG C C 13 172.898 0.009 . 1 . . . . 125 Arg C . 25485 1 1495 . 1 1 125 125 ARG CA C 13 54.270 0.334 . 1 . . . . 125 Arg CA . 25485 1 1496 . 1 1 125 125 ARG CB C 13 33.836 0.096 . 1 . . . . 125 Arg CB . 25485 1 1497 . 1 1 125 125 ARG CG C 13 27.006 0.157 . 1 . . . . 125 Arg CG . 25485 1 1498 . 1 1 125 125 ARG CD C 13 43.206 0.042 . 1 . . . . 125 Arg CD . 25485 1 1499 . 1 1 125 125 ARG N N 15 124.008 0.026 . 1 . . . . 125 Arg N . 25485 1 1500 . 1 1 126 126 LYS H H 1 8.481 0.032 . 1 . . . . 126 Lys H . 25485 1 1501 . 1 1 126 126 LYS HA H 1 3.383 0.029 . 1 . . . . 126 Lys HA . 25485 1 1502 . 1 1 126 126 LYS HB2 H 1 1.371 0.012 . 2 . . . . 126 Lys HB2 . 25485 1 1503 . 1 1 126 126 LYS HB3 H 1 1.533 0.021 . 2 . . . . 126 Lys HB3 . 25485 1 1504 . 1 1 126 126 LYS HG2 H 1 1.379 0.000 . 2 . . . . 126 Lys HG2 . 25485 1 1505 . 1 1 126 126 LYS HG3 H 1 1.379 0.000 . 2 . . . . 126 Lys HG3 . 25485 1 1506 . 1 1 126 126 LYS HD2 H 1 1.552 0.015 . 2 . . . . 126 Lys HD2 . 25485 1 1507 . 1 1 126 126 LYS HD3 H 1 1.552 0.015 . 2 . . . . 126 Lys HD3 . 25485 1 1508 . 1 1 126 126 LYS HE2 H 1 2.903 0.022 . 2 . . . . 126 Lys HE2 . 25485 1 1509 . 1 1 126 126 LYS HE3 H 1 2.903 0.021 . 2 . . . . 126 Lys HE3 . 25485 1 1510 . 1 1 126 126 LYS C C 13 176.124 0.005 . 1 . . . . 126 Lys C . 25485 1 1511 . 1 1 126 126 LYS CA C 13 56.173 0.063 . 1 . . . . 126 Lys CA . 25485 1 1512 . 1 1 126 126 LYS CB C 13 33.025 0.088 . 1 . . . . 126 Lys CB . 25485 1 1513 . 1 1 126 126 LYS CG C 13 24.365 0.000 . 1 . . . . 126 Lys CG . 25485 1 1514 . 1 1 126 126 LYS CD C 13 29.218 0.012 . 1 . . . . 126 Lys CD . 25485 1 1515 . 1 1 126 126 LYS CE C 13 42.254 0.037 . 1 . . . . 126 Lys CE . 25485 1 1516 . 1 1 126 126 LYS N N 15 130.004 0.088 . 1 . . . . 126 Lys N . 25485 1 1517 . 1 1 127 127 VAL H H 1 8.721 0.027 . 1 . . . . 127 Val H . 25485 1 1518 . 1 1 127 127 VAL HA H 1 4.505 0.020 . 1 . . . . 127 Val HA . 25485 1 1519 . 1 1 127 127 VAL HB H 1 1.925 0.025 . 1 . . . . 127 Val HB . 25485 1 1520 . 1 1 127 127 VAL HG11 H 1 0.762 0.034 . 1 . . . . 127 Val HG11 . 25485 1 1521 . 1 1 127 127 VAL HG12 H 1 0.762 0.034 . 1 . . . . 127 Val HG12 . 25485 1 1522 . 1 1 127 127 VAL HG13 H 1 0.762 0.034 . 1 . . . . 127 Val HG13 . 25485 1 1523 . 1 1 127 127 VAL HG21 H 1 0.744 0.036 . 1 . . . . 127 Val HG21 . 25485 1 1524 . 1 1 127 127 VAL HG22 H 1 0.744 0.036 . 1 . . . . 127 Val HG22 . 25485 1 1525 . 1 1 127 127 VAL HG23 H 1 0.744 0.036 . 1 . . . . 127 Val HG23 . 25485 1 1526 . 1 1 127 127 VAL C C 13 175.565 0.014 . 1 . . . . 127 Val C . 25485 1 1527 . 1 1 127 127 VAL CA C 13 59.964 0.036 . 1 . . . . 127 Val CA . 25485 1 1528 . 1 1 127 127 VAL CB C 13 34.349 0.088 . 1 . . . . 127 Val CB . 25485 1 1529 . 1 1 127 127 VAL CG1 C 13 20.989 0.201 . 1 . . . . 127 Val CG1 . 25485 1 1530 . 1 1 127 127 VAL CG2 C 13 20.576 0.199 . 1 . . . . 127 Val CG2 . 25485 1 1531 . 1 1 127 127 VAL N N 15 125.288 0.023 . 1 . . . . 127 Val N . 25485 1 1532 . 1 1 128 128 VAL H H 1 8.406 0.025 . 1 . . . . 128 Val H . 25485 1 1533 . 1 1 128 128 VAL HA H 1 4.329 0.021 . 1 . . . . 128 Val HA . 25485 1 1534 . 1 1 128 128 VAL HB H 1 2.250 0.028 . 1 . . . . 128 Val HB . 25485 1 1535 . 1 1 128 128 VAL HG11 H 1 0.799 0.024 . 1 . . . . 128 Val HG11 . 25485 1 1536 . 1 1 128 128 VAL HG12 H 1 0.799 0.024 . 1 . . . . 128 Val HG12 . 25485 1 1537 . 1 1 128 128 VAL HG13 H 1 0.799 0.024 . 1 . . . . 128 Val HG13 . 25485 1 1538 . 1 1 128 128 VAL HG21 H 1 0.829 0.036 . 1 . . . . 128 Val HG21 . 25485 1 1539 . 1 1 128 128 VAL HG22 H 1 0.829 0.036 . 1 . . . . 128 Val HG22 . 25485 1 1540 . 1 1 128 128 VAL HG23 H 1 0.829 0.036 . 1 . . . . 128 Val HG23 . 25485 1 1541 . 1 1 128 128 VAL C C 13 174.619 0.009 . 1 . . . . 128 Val C . 25485 1 1542 . 1 1 128 128 VAL CA C 13 62.091 0.041 . 1 . . . . 128 Val CA . 25485 1 1543 . 1 1 128 128 VAL CB C 13 32.461 0.112 . 1 . . . . 128 Val CB . 25485 1 1544 . 1 1 128 128 VAL CG1 C 13 20.900 0.633 . 1 . . . . 128 Val CG1 . 25485 1 1545 . 1 1 128 128 VAL CG2 C 13 19.495 0.081 . 1 . . . . 128 Val CG2 . 25485 1 1546 . 1 1 128 128 VAL N N 15 117.467 0.018 . 1 . . . . 128 Val N . 25485 1 1547 . 1 1 129 129 TRP H H 1 7.438 0.028 . 1 . . . . 129 Trp H . 25485 1 1548 . 1 1 129 129 TRP HA H 1 4.716 0.021 . 1 . . . . 129 Trp HA . 25485 1 1549 . 1 1 129 129 TRP HB2 H 1 3.246 0.017 . 2 . . . . 129 Trp HB2 . 25485 1 1550 . 1 1 129 129 TRP HB3 H 1 3.245 0.017 . 2 . . . . 129 Trp HB3 . 25485 1 1551 . 1 1 129 129 TRP HD1 H 1 7.252 0.013 . 1 . . . . 129 Trp HD1 . 25485 1 1552 . 1 1 129 129 TRP HE1 H 1 10.076 0.035 . 1 . . . . 129 Trp HE1 . 25485 1 1553 . 1 1 129 129 TRP HE3 H 1 7.688 0.010 . 1 . . . . 129 Trp HE3 . 25485 1 1554 . 1 1 129 129 TRP HZ2 H 1 7.540 0.015 . 1 . . . . 129 Trp HZ2 . 25485 1 1555 . 1 1 129 129 TRP HZ3 H 1 7.238 0.005 . 1 . . . . 129 Trp HZ3 . 25485 1 1556 . 1 1 129 129 TRP HH2 H 1 7.306 0.006 . 1 . . . . 129 Trp HH2 . 25485 1 1557 . 1 1 129 129 TRP C C 13 174.536 0.014 . 1 . . . . 129 Trp C . 25485 1 1558 . 1 1 129 129 TRP CA C 13 55.921 0.211 . 1 . . . . 129 Trp CA . 25485 1 1559 . 1 1 129 129 TRP CB C 13 32.028 0.126 . 1 . . . . 129 Trp CB . 25485 1 1560 . 1 1 129 129 TRP CG C 13 113.295 0.000 . 1 . . . . 129 Trp CG . 25485 1 1561 . 1 1 129 129 TRP CD1 C 13 127.772 0.034 . 1 . . . . 129 Trp CD1 . 25485 1 1562 . 1 1 129 129 TRP CE3 C 13 121.142 0.013 . 1 . . . . 129 Trp CE3 . 25485 1 1563 . 1 1 129 129 TRP CZ2 C 13 114.873 0.002 . 1 . . . . 129 Trp CZ2 . 25485 1 1564 . 1 1 129 129 TRP CZ3 C 13 121.985 0.154 . 1 . . . . 129 Trp CZ3 . 25485 1 1565 . 1 1 129 129 TRP CH2 C 13 124.543 0.000 . 1 . . . . 129 Trp CH2 . 25485 1 1566 . 1 1 129 129 TRP N N 15 119.986 0.073 . 1 . . . . 129 Trp N . 25485 1 1567 . 1 1 129 129 TRP NE1 N 15 129.923 0.111 . 1 . . . . 129 Trp NE1 . 25485 1 1568 . 1 1 130 130 GLY H H 1 8.006 0.026 . 1 . . . . 130 Gly H . 25485 1 1569 . 1 1 130 130 GLY HA2 H 1 3.642 0.021 . 1 . . . . 130 Gly HA2 . 25485 1 1570 . 1 1 130 130 GLY HA3 H 1 3.975 0.003 . 1 . . . . 130 Gly HA3 . 25485 1 1571 . 1 1 130 130 GLY C C 13 173.185 0.008 . 1 . . . . 130 Gly C . 25485 1 1572 . 1 1 130 130 GLY CA C 13 44.494 0.056 . 1 . . . . 130 Gly CA . 25485 1 1573 . 1 1 130 130 GLY N N 15 109.900 0.001 . 1 . . . . 130 Gly N . 25485 1 1574 . 1 1 131 131 THR H H 1 8.229 0.040 . 1 . . . . 131 Thr H . 25485 1 1575 . 1 1 131 131 THR HA H 1 4.162 0.020 . 1 . . . . 131 Thr HA . 25485 1 1576 . 1 1 131 131 THR HB H 1 4.009 0.005 . 1 . . . . 131 Thr HB . 25485 1 1577 . 1 1 131 131 THR HG21 H 1 1.224 0.018 . 1 . . . . 131 Thr HG21 . 25485 1 1578 . 1 1 131 131 THR HG22 H 1 1.224 0.018 . 1 . . . . 131 Thr HG22 . 25485 1 1579 . 1 1 131 131 THR HG23 H 1 1.224 0.018 . 1 . . . . 131 Thr HG23 . 25485 1 1580 . 1 1 131 131 THR C C 13 172.766 0.019 . 1 . . . . 131 Thr C . 25485 1 1581 . 1 1 131 131 THR CA C 13 63.168 0.105 . 1 . . . . 131 Thr CA . 25485 1 1582 . 1 1 131 131 THR CB C 13 69.311 0.155 . 1 . . . . 131 Thr CB . 25485 1 1583 . 1 1 131 131 THR CG2 C 13 21.646 0.016 . 1 . . . . 131 Thr CG2 . 25485 1 1584 . 1 1 131 131 THR N N 15 116.304 0.242 . 1 . . . . 131 Thr N . 25485 1 1585 . 1 1 132 132 ALA H H 1 7.962 0.030 . 1 . . . . 132 Ala H . 25485 1 1586 . 1 1 132 132 ALA HA H 1 4.515 0.030 . 1 . . . . 132 Ala HA . 25485 1 1587 . 1 1 132 132 ALA HB1 H 1 0.956 0.029 . 1 . . . . 132 Ala HB1 . 25485 1 1588 . 1 1 132 132 ALA HB2 H 1 0.956 0.029 . 1 . . . . 132 Ala HB2 . 25485 1 1589 . 1 1 132 132 ALA HB3 H 1 0.956 0.029 . 1 . . . . 132 Ala HB3 . 25485 1 1590 . 1 1 132 132 ALA C C 13 175.358 0.002 . 1 . . . . 132 Ala C . 25485 1 1591 . 1 1 132 132 ALA CA C 13 49.361 0.038 . 1 . . . . 132 Ala CA . 25485 1 1592 . 1 1 132 132 ALA CB C 13 22.787 0.044 . 1 . . . . 132 Ala CB . 25485 1 1593 . 1 1 132 132 ALA N N 15 129.807 0.094 . 1 . . . . 132 Ala N . 25485 1 1594 . 1 1 133 133 ASP H H 1 8.251 0.020 . 1 . . . . 133 Asp H . 25485 1 1595 . 1 1 133 133 ASP HA H 1 4.421 0.013 . 1 . . . . 133 Asp HA . 25485 1 1596 . 1 1 133 133 ASP HB2 H 1 1.974 0.021 . 2 . . . . 133 Asp HB2 . 25485 1 1597 . 1 1 133 133 ASP HB3 H 1 2.816 0.021 . 2 . . . . 133 Asp HB3 . 25485 1 1598 . 1 1 133 133 ASP C C 13 177.312 0.017 . 1 . . . . 133 Asp C . 25485 1 1599 . 1 1 133 133 ASP CA C 13 57.932 0.028 . 1 . . . . 133 Asp CA . 25485 1 1600 . 1 1 133 133 ASP CB C 13 40.507 0.207 . 1 . . . . 133 Asp CB . 25485 1 1601 . 1 1 133 133 ASP N N 15 122.900 0.105 . 1 . . . . 133 Asp N . 25485 1 1602 . 1 1 134 134 ILE H H 1 8.802 0.020 . 1 . . . . 134 Ile H . 25485 1 1603 . 1 1 134 134 ILE HA H 1 4.143 0.016 . 1 . . . . 134 Ile HA . 25485 1 1604 . 1 1 134 134 ILE HB H 1 1.939 0.013 . 1 . . . . 134 Ile HB . 25485 1 1605 . 1 1 134 134 ILE HG12 H 1 1.887 0.042 . 2 . . . . 134 Ile HG12 . 25485 1 1606 . 1 1 134 134 ILE HG13 H 1 1.887 0.042 . 2 . . . . 134 Ile HG13 . 25485 1 1607 . 1 1 134 134 ILE HG21 H 1 0.973 0.023 . 1 . . . . 134 Ile HG21 . 25485 1 1608 . 1 1 134 134 ILE HG22 H 1 0.973 0.023 . 1 . . . . 134 Ile HG22 . 25485 1 1609 . 1 1 134 134 ILE HG23 H 1 0.973 0.023 . 1 . . . . 134 Ile HG23 . 25485 1 1610 . 1 1 134 134 ILE HD11 H 1 0.699 0.028 . 1 . . . . 134 Ile HD11 . 25485 1 1611 . 1 1 134 134 ILE HD12 H 1 0.699 0.028 . 1 . . . . 134 Ile HD12 . 25485 1 1612 . 1 1 134 134 ILE HD13 H 1 0.699 0.028 . 1 . . . . 134 Ile HD13 . 25485 1 1613 . 1 1 134 134 ILE C C 13 174.199 0.005 . 1 . . . . 134 Ile C . 25485 1 1614 . 1 1 134 134 ILE CA C 13 61.263 0.049 . 1 . . . . 134 Ile CA . 25485 1 1615 . 1 1 134 134 ILE CB C 13 38.698 0.081 . 1 . . . . 134 Ile CB . 25485 1 1616 . 1 1 134 134 ILE CG1 C 13 36.225 0.000 . 1 . . . . 134 Ile CG1 . 25485 1 1617 . 1 1 134 134 ILE CG2 C 13 14.431 0.038 . 1 . . . . 134 Ile CG2 . 25485 1 1618 . 1 1 134 134 ILE CD1 C 13 13.605 0.068 . 1 . . . . 134 Ile CD1 . 25485 1 1619 . 1 1 134 134 ILE N N 15 125.472 0.144 . 1 . . . . 134 Ile N . 25485 1 1620 . 1 1 135 135 MET H H 1 7.418 0.023 . 1 . . . . 135 Met H . 25485 1 1621 . 1 1 135 135 MET HA H 1 5.192 0.019 . 1 . . . . 135 Met HA . 25485 1 1622 . 1 1 135 135 MET HB2 H 1 2.215 0.024 . 2 . . . . 135 Met HB2 . 25485 1 1623 . 1 1 135 135 MET HB3 H 1 2.708 0.025 . 2 . . . . 135 Met HB3 . 25485 1 1624 . 1 1 135 135 MET HG2 H 1 1.264 0.021 . 2 . . . . 135 Met HG2 . 25485 1 1625 . 1 1 135 135 MET HG3 H 1 1.891 0.019 . 2 . . . . 135 Met HG3 . 25485 1 1626 . 1 1 135 135 MET HE1 H 1 2.251 0.019 . 1 . . . . 135 Met HE1 . 25485 1 1627 . 1 1 135 135 MET HE2 H 1 2.251 0.019 . 1 . . . . 135 Met HE2 . 25485 1 1628 . 1 1 135 135 MET HE3 H 1 2.251 0.019 . 1 . . . . 135 Met HE3 . 25485 1 1629 . 1 1 135 135 MET C C 13 176.206 0.006 . 1 . . . . 135 Met C . 25485 1 1630 . 1 1 135 135 MET CA C 13 53.675 0.132 . 1 . . . . 135 Met CA . 25485 1 1631 . 1 1 135 135 MET CB C 13 32.627 0.056 . 1 . . . . 135 Met CB . 25485 1 1632 . 1 1 135 135 MET CG C 13 32.587 0.081 . 1 . . . . 135 Met CG . 25485 1 1633 . 1 1 135 135 MET CE C 13 19.082 0.037 . 1 . . . . 135 Met CE . 25485 1 1634 . 1 1 135 135 MET N N 15 127.278 0.126 . 1 . . . . 135 Met N . 25485 1 1635 . 1 1 136 136 ILE H H 1 9.124 0.021 . 1 . . . . 136 Ile H . 25485 1 1636 . 1 1 136 136 ILE HA H 1 5.589 0.019 . 1 . . . . 136 Ile HA . 25485 1 1637 . 1 1 136 136 ILE HB H 1 1.893 0.035 . 1 . . . . 136 Ile HB . 25485 1 1638 . 1 1 136 136 ILE HG12 H 1 0.968 0.036 . 2 . . . . 136 Ile HG12 . 25485 1 1639 . 1 1 136 136 ILE HG13 H 1 0.969 0.036 . 2 . . . . 136 Ile HG13 . 25485 1 1640 . 1 1 136 136 ILE HG21 H 1 1.001 0.024 . 1 . . . . 136 Ile HG21 . 25485 1 1641 . 1 1 136 136 ILE HG22 H 1 1.001 0.024 . 1 . . . . 136 Ile HG22 . 25485 1 1642 . 1 1 136 136 ILE HG23 H 1 1.001 0.024 . 1 . . . . 136 Ile HG23 . 25485 1 1643 . 1 1 136 136 ILE HD11 H 1 0.916 0.024 . 1 . . . . 136 Ile HD11 . 25485 1 1644 . 1 1 136 136 ILE HD12 H 1 0.916 0.024 . 1 . . . . 136 Ile HD12 . 25485 1 1645 . 1 1 136 136 ILE HD13 H 1 0.916 0.024 . 1 . . . . 136 Ile HD13 . 25485 1 1646 . 1 1 136 136 ILE C C 13 175.190 0.001 . 1 . . . . 136 Ile C . 25485 1 1647 . 1 1 136 136 ILE CA C 13 60.087 0.026 . 1 . . . . 136 Ile CA . 25485 1 1648 . 1 1 136 136 ILE CB C 13 40.908 0.049 . 1 . . . . 136 Ile CB . 25485 1 1649 . 1 1 136 136 ILE CG1 C 13 28.789 0.054 . 1 . . . . 136 Ile CG1 . 25485 1 1650 . 1 1 136 136 ILE CG2 C 13 16.978 0.123 . 1 . . . . 136 Ile CG2 . 25485 1 1651 . 1 1 136 136 ILE CD1 C 13 16.002 0.162 . 1 . . . . 136 Ile CD1 . 25485 1 1652 . 1 1 136 136 ILE N N 15 125.440 0.120 . 1 . . . . 136 Ile N . 25485 1 1653 . 1 1 137 137 GLY H H 1 8.594 0.022 . 1 . . . . 137 Gly H . 25485 1 1654 . 1 1 137 137 GLY HA2 H 1 4.026 0.019 . 1 . . . . 137 Gly HA2 . 25485 1 1655 . 1 1 137 137 GLY HA3 H 1 4.750 0.045 . 1 . . . . 137 Gly HA3 . 25485 1 1656 . 1 1 137 137 GLY C C 13 170.855 0.004 . 1 . . . . 137 Gly C . 25485 1 1657 . 1 1 137 137 GLY CA C 13 45.378 0.084 . 1 . . . . 137 Gly CA . 25485 1 1658 . 1 1 137 137 GLY N N 15 112.211 0.043 . 1 . . . . 137 Gly N . 25485 1 1659 . 1 1 138 138 PHE H H 1 7.857 0.028 . 1 . . . . 138 Phe H . 25485 1 1660 . 1 1 138 138 PHE HA H 1 5.499 0.030 . 1 . . . . 138 Phe HA . 25485 1 1661 . 1 1 138 138 PHE HB2 H 1 2.625 0.017 . 2 . . . . 138 Phe HB2 . 25485 1 1662 . 1 1 138 138 PHE HB3 H 1 2.625 0.017 . 2 . . . . 138 Phe HB3 . 25485 1 1663 . 1 1 138 138 PHE HD1 H 1 6.994 0.028 . 1 . . . . 138 Phe HD1 . 25485 1 1664 . 1 1 138 138 PHE HD2 H 1 6.994 0.028 . 1 . . . . 138 Phe HD2 . 25485 1 1665 . 1 1 138 138 PHE C C 13 175.186 0.002 . 1 . . . . 138 Phe C . 25485 1 1666 . 1 1 138 138 PHE CA C 13 55.992 0.077 . 1 . . . . 138 Phe CA . 25485 1 1667 . 1 1 138 138 PHE CB C 13 41.496 0.082 . 1 . . . . 138 Phe CB . 25485 1 1668 . 1 1 138 138 PHE CD1 C 13 132.521 0.003 . 1 . . . . 138 Phe CD1 . 25485 1 1669 . 1 1 138 138 PHE CD2 C 13 132.521 0.003 . 1 . . . . 138 Phe CD2 . 25485 1 1670 . 1 1 138 138 PHE N N 15 119.463 0.058 . 1 . . . . 138 Phe N . 25485 1 1671 . 1 1 139 139 ALA H H 1 8.955 0.018 . 1 . . . . 139 Ala H . 25485 1 1672 . 1 1 139 139 ALA HA H 1 4.731 0.029 . 1 . . . . 139 Ala HA . 25485 1 1673 . 1 1 139 139 ALA HB1 H 1 0.908 0.033 . 1 . . . . 139 Ala HB1 . 25485 1 1674 . 1 1 139 139 ALA HB2 H 1 0.908 0.033 . 1 . . . . 139 Ala HB2 . 25485 1 1675 . 1 1 139 139 ALA HB3 H 1 0.908 0.033 . 1 . . . . 139 Ala HB3 . 25485 1 1676 . 1 1 139 139 ALA C C 13 174.614 0.003 . 1 . . . . 139 Ala C . 25485 1 1677 . 1 1 139 139 ALA CA C 13 51.027 0.104 . 1 . . . . 139 Ala CA . 25485 1 1678 . 1 1 139 139 ALA CB C 13 22.463 0.048 . 1 . . . . 139 Ala CB . 25485 1 1679 . 1 1 139 139 ALA N N 15 123.914 0.063 . 1 . . . . 139 Ala N . 25485 1 1680 . 1 1 140 140 ARG H H 1 8.546 0.028 . 1 . . . . 140 Arg H . 25485 1 1681 . 1 1 140 140 ARG HA H 1 5.106 0.032 . 1 . . . . 140 Arg HA . 25485 1 1682 . 1 1 140 140 ARG HB2 H 1 1.780 0.028 . 2 . . . . 140 Arg HB2 . 25485 1 1683 . 1 1 140 140 ARG HB3 H 1 1.782 0.028 . 2 . . . . 140 Arg HB3 . 25485 1 1684 . 1 1 140 140 ARG HG2 H 1 1.351 0.004 . 2 . . . . 140 Arg HG2 . 25485 1 1685 . 1 1 140 140 ARG HG3 H 1 1.505 0.024 . 2 . . . . 140 Arg HG3 . 25485 1 1686 . 1 1 140 140 ARG HD2 H 1 3.261 0.025 . 2 . . . . 140 Arg HD2 . 25485 1 1687 . 1 1 140 140 ARG HD3 H 1 3.270 0.019 . 2 . . . . 140 Arg HD3 . 25485 1 1688 . 1 1 140 140 ARG C C 13 176.194 0.031 . 1 . . . . 140 Arg C . 25485 1 1689 . 1 1 140 140 ARG CA C 13 54.160 0.191 . 1 . . . . 140 Arg CA . 25485 1 1690 . 1 1 140 140 ARG CB C 13 33.483 0.050 . 1 . . . . 140 Arg CB . 25485 1 1691 . 1 1 140 140 ARG CG C 13 26.763 0.075 . 1 . . . . 140 Arg CG . 25485 1 1692 . 1 1 140 140 ARG CD C 13 43.486 0.002 . 1 . . . . 140 Arg CD . 25485 1 1693 . 1 1 140 140 ARG N N 15 118.340 0.100 . 1 . . . . 140 Arg N . 25485 1 1694 . 1 1 141 141 GLY H H 1 8.989 0.028 . 1 . . . . 141 Gly H . 25485 1 1695 . 1 1 141 141 GLY HA2 H 1 3.823 0.014 . 1 . . . . 141 Gly HA2 . 25485 1 1696 . 1 1 141 141 GLY HA3 H 1 3.946 0.000 . 1 . . . . 141 Gly HA3 . 25485 1 1697 . 1 1 141 141 GLY C C 13 175.595 0.000 . 1 . . . . 141 Gly C . 25485 1 1698 . 1 1 141 141 GLY CA C 13 46.293 0.016 . 1 . . . . 141 Gly CA . 25485 1 1699 . 1 1 141 141 GLY N N 15 108.916 0.041 . 1 . . . . 141 Gly N . 25485 1 1700 . 1 1 142 142 ALA H H 1 8.642 0.000 . 1 . . . . 142 Ala H . 25485 1 1701 . 1 1 142 142 ALA HA H 1 4.408 0.025 . 1 . . . . 142 Ala HA . 25485 1 1702 . 1 1 142 142 ALA HB1 H 1 1.556 0.020 . 1 . . . . 142 Ala HB1 . 25485 1 1703 . 1 1 142 142 ALA HB2 H 1 1.556 0.020 . 1 . . . . 142 Ala HB2 . 25485 1 1704 . 1 1 142 142 ALA HB3 H 1 1.556 0.020 . 1 . . . . 142 Ala HB3 . 25485 1 1705 . 1 1 142 142 ALA C C 13 177.027 0.001 . 1 . . . . 142 Ala C . 25485 1 1706 . 1 1 142 142 ALA CA C 13 53.200 0.047 . 1 . . . . 142 Ala CA . 25485 1 1707 . 1 1 142 142 ALA CB C 13 17.929 0.024 . 1 . . . . 142 Ala CB . 25485 1 1708 . 1 1 142 142 ALA N N 15 121.448 0.000 . 1 . . . . 142 Ala N . 25485 1 1709 . 1 1 143 143 HIS H H 1 8.990 0.016 . 1 . . . . 143 His H . 25485 1 1710 . 1 1 143 143 HIS HA H 1 5.157 0.009 . 1 . . . . 143 His HA . 25485 1 1711 . 1 1 143 143 HIS HB2 H 1 2.792 0.015 . 2 . . . . 143 His HB2 . 25485 1 1712 . 1 1 143 143 HIS HB3 H 1 3.518 0.012 . 2 . . . . 143 His HB3 . 25485 1 1713 . 1 1 143 143 HIS HD1 H 1 12.180 0.000 . 1 . . . . 143 His HD1 . 25485 1 1714 . 1 1 143 143 HIS HD2 H 1 6.445 0.024 . 1 . . . . 143 His HD2 . 25485 1 1715 . 1 1 143 143 HIS HE1 H 1 8.344 0.009 . 1 . . . . 143 His HE1 . 25485 1 1716 . 1 1 143 143 HIS C C 13 174.303 0.000 . 1 . . . . 143 His C . 25485 1 1717 . 1 1 143 143 HIS CA C 13 55.407 0.039 . 1 . . . . 143 His CA . 25485 1 1718 . 1 1 143 143 HIS CB C 13 27.805 0.129 . 1 . . . . 143 His CB . 25485 1 1719 . 1 1 143 143 HIS CD2 C 13 127.264 0.135 . 1 . . . . 143 His CD2 . 25485 1 1720 . 1 1 143 143 HIS CE1 C 13 141.111 0.000 . 1 . . . . 143 His CE1 . 25485 1 1721 . 1 1 143 143 HIS N N 15 120.356 0.039 . 1 . . . . 143 His N . 25485 1 1722 . 1 1 144 144 GLY HA2 H 1 3.640 0.024 . 1 . . . . 144 Gly HA2 . 25485 1 1723 . 1 1 144 144 GLY HA3 H 1 4.233 0.028 . 1 . . . . 144 Gly HA3 . 25485 1 1724 . 1 1 144 144 GLY C C 13 173.762 0.018 . 1 . . . . 144 Gly C . 25485 1 1725 . 1 1 144 144 GLY CA C 13 46.031 0.053 . 1 . . . . 144 Gly CA . 25485 1 1726 . 1 1 145 145 ASP H H 1 7.096 0.006 . 1 . . . . 145 Asp H . 25485 1 1727 . 1 1 145 145 ASP HA H 1 4.698 0.000 . 1 . . . . 145 Asp HA . 25485 1 1728 . 1 1 145 145 ASP HB2 H 1 2.753 0.000 . 2 . . . . 145 Asp HB2 . 25485 1 1729 . 1 1 145 145 ASP HB3 H 1 2.753 0.000 . 2 . . . . 145 Asp HB3 . 25485 1 1730 . 1 1 145 145 ASP C C 13 175.851 0.000 . 1 . . . . 145 Asp C . 25485 1 1731 . 1 1 145 145 ASP CA C 13 51.960 0.000 . 1 . . . . 145 Asp CA . 25485 1 1732 . 1 1 145 145 ASP CB C 13 41.812 0.076 . 1 . . . . 145 Asp CB . 25485 1 1733 . 1 1 145 145 ASP N N 15 117.762 0.001 . 1 . . . . 145 Asp N . 25485 1 1734 . 1 1 146 146 SER H H 1 8.261 0.000 . 1 . . . . 146 Ser H . 25485 1 1735 . 1 1 146 146 SER HA H 1 4.204 0.013 . 1 . . . . 146 Ser HA . 25485 1 1736 . 1 1 146 146 SER HB2 H 1 3.321 0.008 . 2 . . . . 146 Ser HB2 . 25485 1 1737 . 1 1 146 146 SER HB3 H 1 3.587 0.010 . 2 . . . . 146 Ser HB3 . 25485 1 1738 . 1 1 146 146 SER C C 13 172.320 0.005 . 1 . . . . 146 Ser C . 25485 1 1739 . 1 1 146 146 SER CA C 13 58.830 0.071 . 1 . . . . 146 Ser CA . 25485 1 1740 . 1 1 146 146 SER CB C 13 62.940 0.056 . 1 . . . . 146 Ser CB . 25485 1 1741 . 1 1 146 146 SER N N 15 125.540 0.000 . 1 . . . . 146 Ser N . 25485 1 1742 . 1 1 147 147 TYR H H 1 7.450 0.015 . 1 . . . . 147 Tyr H . 25485 1 1743 . 1 1 147 147 TYR HA H 1 4.822 0.025 . 1 . . . . 147 Tyr HA . 25485 1 1744 . 1 1 147 147 TYR HB2 H 1 1.345 0.014 . 2 . . . . 147 Tyr HB2 . 25485 1 1745 . 1 1 147 147 TYR HB3 H 1 2.259 0.012 . 2 . . . . 147 Tyr HB3 . 25485 1 1746 . 1 1 147 147 TYR HD1 H 1 6.538 0.025 . 1 . . . . 147 Tyr HD1 . 25485 1 1747 . 1 1 147 147 TYR HD2 H 1 6.538 0.025 . 1 . . . . 147 Tyr HD2 . 25485 1 1748 . 1 1 147 147 TYR HE1 H 1 6.554 0.003 . 1 . . . . 147 Tyr HE1 . 25485 1 1749 . 1 1 147 147 TYR HE2 H 1 6.554 0.003 . 1 . . . . 147 Tyr HE2 . 25485 1 1750 . 1 1 147 147 TYR C C 13 170.372 0.000 . 1 . . . . 147 Tyr C . 25485 1 1751 . 1 1 147 147 TYR CA C 13 53.274 0.202 . 1 . . . . 147 Tyr CA . 25485 1 1752 . 1 1 147 147 TYR CB C 13 38.273 0.113 . 1 . . . . 147 Tyr CB . 25485 1 1753 . 1 1 147 147 TYR CD1 C 13 132.661 0.183 . 1 . . . . 147 Tyr CD1 . 25485 1 1754 . 1 1 147 147 TYR CD2 C 13 132.661 0.183 . 1 . . . . 147 Tyr CD2 . 25485 1 1755 . 1 1 147 147 TYR CE1 C 13 118.035 0.015 . 1 . . . . 147 Tyr CE1 . 25485 1 1756 . 1 1 147 147 TYR CE2 C 13 118.035 0.015 . 1 . . . . 147 Tyr CE2 . 25485 1 1757 . 1 1 147 147 TYR N N 15 120.757 0.001 . 1 . . . . 147 Tyr N . 25485 1 1758 . 1 1 148 148 PRO HA H 1 4.872 0.022 . 1 . . . . 148 Pro HA . 25485 1 1759 . 1 1 148 148 PRO HB2 H 1 2.024 0.024 . 2 . . . . 148 Pro HB2 . 25485 1 1760 . 1 1 148 148 PRO HB3 H 1 2.024 0.024 . 2 . . . . 148 Pro HB3 . 25485 1 1761 . 1 1 148 148 PRO HG2 H 1 1.967 0.011 . 2 . . . . 148 Pro HG2 . 25485 1 1762 . 1 1 148 148 PRO HG3 H 1 1.982 0.026 . 2 . . . . 148 Pro HG3 . 25485 1 1763 . 1 1 148 148 PRO HD2 H 1 3.251 0.012 . 2 . . . . 148 Pro HD2 . 25485 1 1764 . 1 1 148 148 PRO HD3 H 1 3.623 0.010 . 2 . . . . 148 Pro HD3 . 25485 1 1765 . 1 1 148 148 PRO C C 13 179.009 0.000 . 1 . . . . 148 Pro C . 25485 1 1766 . 1 1 148 148 PRO CA C 13 63.380 0.160 . 1 . . . . 148 Pro CA . 25485 1 1767 . 1 1 148 148 PRO CB C 13 30.921 0.078 . 1 . . . . 148 Pro CB . 25485 1 1768 . 1 1 148 148 PRO CG C 13 27.188 0.040 . 1 . . . . 148 Pro CG . 25485 1 1769 . 1 1 148 148 PRO CD C 13 49.627 0.141 . 1 . . . . 148 Pro CD . 25485 1 1770 . 1 1 149 149 PHE H H 1 8.024 0.008 . 1 . . . . 149 Phe H . 25485 1 1771 . 1 1 149 149 PHE HB2 H 1 3.120 0.029 . 2 . . . . 149 Phe HB2 . 25485 1 1772 . 1 1 149 149 PHE HB3 H 1 3.943 0.044 . 2 . . . . 149 Phe HB3 . 25485 1 1773 . 1 1 149 149 PHE C C 13 176.813 0.002 . 1 . . . . 149 Phe C . 25485 1 1774 . 1 1 149 149 PHE CA C 13 58.399 0.215 . 1 . . . . 149 Phe CA . 25485 1 1775 . 1 1 149 149 PHE CB C 13 38.534 0.139 . 1 . . . . 149 Phe CB . 25485 1 1776 . 1 1 149 149 PHE N N 15 120.514 0.116 . 1 . . . . 149 Phe N . 25485 1 1777 . 1 1 150 150 ASP H H 1 7.511 0.014 . 1 . . . . 150 Asp H . 25485 1 1778 . 1 1 150 150 ASP HA H 1 4.839 0.007 . 1 . . . . 150 Asp HA . 25485 1 1779 . 1 1 150 150 ASP HB2 H 1 2.727 0.030 . 2 . . . . 150 Asp HB2 . 25485 1 1780 . 1 1 150 150 ASP HB3 H 1 3.365 0.000 . 2 . . . . 150 Asp HB3 . 25485 1 1781 . 1 1 150 150 ASP C C 13 176.996 0.044 . 1 . . . . 150 Asp C . 25485 1 1782 . 1 1 150 150 ASP CA C 13 53.864 0.122 . 1 . . . . 150 Asp CA . 25485 1 1783 . 1 1 150 150 ASP CB C 13 41.916 0.097 . 1 . . . . 150 Asp CB . 25485 1 1784 . 1 1 150 150 ASP N N 15 115.554 0.057 . 1 . . . . 150 Asp N . 25485 1 1785 . 1 1 151 151 GLY H H 1 9.080 0.016 . 1 . . . . 151 Gly H . 25485 1 1786 . 1 1 151 151 GLY HA2 H 1 4.412 0.012 . 1 . . . . 151 Gly HA2 . 25485 1 1787 . 1 1 151 151 GLY HA3 H 1 4.412 0.012 . 1 . . . . 151 Gly HA3 . 25485 1 1788 . 1 1 151 151 GLY C C 13 170.281 0.000 . 1 . . . . 151 Gly C . 25485 1 1789 . 1 1 151 151 GLY CA C 13 44.405 0.016 . 1 . . . . 151 Gly CA . 25485 1 1790 . 1 1 151 151 GLY N N 15 110.650 0.058 . 1 . . . . 151 Gly N . 25485 1 1791 . 1 1 152 152 PRO HA H 1 4.056 0.007 . 1 . . . . 152 Pro HA . 25485 1 1792 . 1 1 152 152 PRO HB2 H 1 2.210 0.009 . 2 . . . . 152 Pro HB2 . 25485 1 1793 . 1 1 152 152 PRO HB3 H 1 2.232 0.032 . 2 . . . . 152 Pro HB3 . 25485 1 1794 . 1 1 152 152 PRO HG2 H 1 2.055 0.000 . 2 . . . . 152 Pro HG2 . 25485 1 1795 . 1 1 152 152 PRO HG3 H 1 2.055 0.000 . 2 . . . . 152 Pro HG3 . 25485 1 1796 . 1 1 152 152 PRO C C 13 178.300 0.000 . 1 . . . . 152 Pro C . 25485 1 1797 . 1 1 152 152 PRO CA C 13 63.824 0.064 . 1 . . . . 152 Pro CA . 25485 1 1798 . 1 1 152 152 PRO CB C 13 31.243 0.095 . 1 . . . . 152 Pro CB . 25485 1 1799 . 1 1 152 152 PRO CG C 13 27.587 0.000 . 1 . . . . 152 Pro CG . 25485 1 1800 . 1 1 152 152 PRO CD C 13 49.394 0.000 . 1 . . . . 152 Pro CD . 25485 1 1801 . 1 1 153 153 GLY H H 1 11.431 0.041 . 1 . . . . 153 Gly H . 25485 1 1802 . 1 1 153 153 GLY HA2 H 1 3.395 0.027 . 1 . . . . 153 Gly HA2 . 25485 1 1803 . 1 1 153 153 GLY HA3 H 1 4.122 0.037 . 1 . . . . 153 Gly HA3 . 25485 1 1804 . 1 1 153 153 GLY C C 13 174.099 0.004 . 1 . . . . 153 Gly C . 25485 1 1805 . 1 1 153 153 GLY CA C 13 43.624 0.069 . 1 . . . . 153 Gly CA . 25485 1 1806 . 1 1 153 153 GLY N N 15 118.779 0.009 . 1 . . . . 153 Gly N . 25485 1 1807 . 1 1 154 154 ASN H H 1 9.247 0.037 . 1 . . . . 154 Asn H . 25485 1 1808 . 1 1 154 154 ASN HA H 1 4.244 0.014 . 1 . . . . 154 Asn HA . 25485 1 1809 . 1 1 154 154 ASN HB2 H 1 2.995 0.025 . 2 . . . . 154 Asn HB2 . 25485 1 1810 . 1 1 154 154 ASN HB3 H 1 3.189 0.028 . 2 . . . . 154 Asn HB3 . 25485 1 1811 . 1 1 154 154 ASN C C 13 174.631 0.020 . 1 . . . . 154 Asn C . 25485 1 1812 . 1 1 154 154 ASN CA C 13 56.575 0.131 . 1 . . . . 154 Asn CA . 25485 1 1813 . 1 1 154 154 ASN CB C 13 36.973 0.109 . 1 . . . . 154 Asn CB . 25485 1 1814 . 1 1 154 154 ASN CG C 13 177.800 0.000 . 1 . . . . 154 Asn CG . 25485 1 1815 . 1 1 154 154 ASN N N 15 120.684 0.056 . 1 . . . . 154 Asn N . 25485 1 1816 . 1 1 155 155 THR H H 1 9.500 0.026 . 1 . . . . 155 Thr H . 25485 1 1817 . 1 1 155 155 THR HA H 1 5.577 0.030 . 1 . . . . 155 Thr HA . 25485 1 1818 . 1 1 155 155 THR HB H 1 4.397 0.024 . 1 . . . . 155 Thr HB . 25485 1 1819 . 1 1 155 155 THR HG21 H 1 1.622 0.020 . 1 . . . . 155 Thr HG21 . 25485 1 1820 . 1 1 155 155 THR HG22 H 1 1.622 0.020 . 1 . . . . 155 Thr HG22 . 25485 1 1821 . 1 1 155 155 THR HG23 H 1 1.622 0.020 . 1 . . . . 155 Thr HG23 . 25485 1 1822 . 1 1 155 155 THR C C 13 176.594 0.008 . 1 . . . . 155 Thr C . 25485 1 1823 . 1 1 155 155 THR CA C 13 61.735 0.062 . 1 . . . . 155 Thr CA . 25485 1 1824 . 1 1 155 155 THR CB C 13 71.244 0.052 . 1 . . . . 155 Thr CB . 25485 1 1825 . 1 1 155 155 THR CG2 C 13 23.685 0.037 . 1 . . . . 155 Thr CG2 . 25485 1 1826 . 1 1 155 155 THR N N 15 118.254 0.040 . 1 . . . . 155 Thr N . 25485 1 1827 . 1 1 156 156 LEU H H 1 8.492 0.022 . 1 . . . . 156 Leu H . 25485 1 1828 . 1 1 156 156 LEU HA H 1 4.875 0.029 . 1 . . . . 156 Leu HA . 25485 1 1829 . 1 1 156 156 LEU HB2 H 1 1.704 0.024 . 2 . . . . 156 Leu HB2 . 25485 1 1830 . 1 1 156 156 LEU HB3 H 1 1.706 0.024 . 2 . . . . 156 Leu HB3 . 25485 1 1831 . 1 1 156 156 LEU HG H 1 0.656 0.033 . 1 . . . . 156 Leu HG . 25485 1 1832 . 1 1 156 156 LEU HD11 H 1 0.562 0.023 . 2 . . . . 156 Leu HD11 . 25485 1 1833 . 1 1 156 156 LEU HD12 H 1 0.562 0.023 . 2 . . . . 156 Leu HD12 . 25485 1 1834 . 1 1 156 156 LEU HD13 H 1 0.562 0.023 . 2 . . . . 156 Leu HD13 . 25485 1 1835 . 1 1 156 156 LEU HD21 H 1 0.592 0.022 . 2 . . . . 156 Leu HD21 . 25485 1 1836 . 1 1 156 156 LEU HD22 H 1 0.592 0.022 . 2 . . . . 156 Leu HD22 . 25485 1 1837 . 1 1 156 156 LEU HD23 H 1 0.592 0.022 . 2 . . . . 156 Leu HD23 . 25485 1 1838 . 1 1 156 156 LEU C C 13 175.652 0.012 . 1 . . . . 156 Leu C . 25485 1 1839 . 1 1 156 156 LEU CA C 13 55.545 0.193 . 1 . . . . 156 Leu CA . 25485 1 1840 . 1 1 156 156 LEU CB C 13 44.482 0.082 . 1 . . . . 156 Leu CB . 25485 1 1841 . 1 1 156 156 LEU CG C 13 25.775 0.108 . 1 . . . . 156 Leu CG . 25485 1 1842 . 1 1 156 156 LEU CD1 C 13 22.496 0.085 . 2 . . . . 156 Leu CD1 . 25485 1 1843 . 1 1 156 156 LEU CD2 C 13 25.845 0.067 . 2 . . . . 156 Leu CD2 . 25485 1 1844 . 1 1 156 156 LEU N N 15 122.588 0.120 . 1 . . . . 156 Leu N . 25485 1 1845 . 1 1 157 157 ALA H H 1 7.567 0.029 . 1 . . . . 157 Ala H . 25485 1 1846 . 1 1 157 157 ALA HA H 1 5.035 0.013 . 1 . . . . 157 Ala HA . 25485 1 1847 . 1 1 157 157 ALA HB1 H 1 1.517 0.019 . 1 . . . . 157 Ala HB1 . 25485 1 1848 . 1 1 157 157 ALA HB2 H 1 1.517 0.019 . 1 . . . . 157 Ala HB2 . 25485 1 1849 . 1 1 157 157 ALA HB3 H 1 1.517 0.019 . 1 . . . . 157 Ala HB3 . 25485 1 1850 . 1 1 157 157 ALA C C 13 175.740 0.008 . 1 . . . . 157 Ala C . 25485 1 1851 . 1 1 157 157 ALA CA C 13 50.941 0.137 . 1 . . . . 157 Ala CA . 25485 1 1852 . 1 1 157 157 ALA CB C 13 22.448 0.054 . 1 . . . . 157 Ala CB . 25485 1 1853 . 1 1 157 157 ALA N N 15 115.389 0.048 . 1 . . . . 157 Ala N . 25485 1 1854 . 1 1 158 158 HIS H H 1 8.757 0.021 . 1 . . . . 158 His H . 25485 1 1855 . 1 1 158 158 HIS HA H 1 4.605 0.027 . 1 . . . . 158 His HA . 25485 1 1856 . 1 1 158 158 HIS HB2 H 1 2.346 0.024 . 2 . . . . 158 His HB2 . 25485 1 1857 . 1 1 158 158 HIS HB3 H 1 3.129 0.015 . 2 . . . . 158 His HB3 . 25485 1 1858 . 1 1 158 158 HIS HD2 H 1 6.129 0.025 . 1 . . . . 158 His HD2 . 25485 1 1859 . 1 1 158 158 HIS HE1 H 1 6.524 0.052 . 1 . . . . 158 His HE1 . 25485 1 1860 . 1 1 158 158 HIS C C 13 170.184 0.008 . 1 . . . . 158 His C . 25485 1 1861 . 1 1 158 158 HIS CA C 13 56.075 0.024 . 1 . . . . 158 His CA . 25485 1 1862 . 1 1 158 158 HIS CB C 13 30.139 0.155 . 1 . . . . 158 His CB . 25485 1 1863 . 1 1 158 158 HIS CD2 C 13 123.962 0.003 . 1 . . . . 158 His CD2 . 25485 1 1864 . 1 1 158 158 HIS N N 15 111.900 0.031 . 1 . . . . 158 His N . 25485 1 1865 . 1 1 159 159 ALA H H 1 6.110 0.026 . 1 . . . . 159 Ala H . 25485 1 1866 . 1 1 159 159 ALA HA H 1 4.654 0.000 . 1 . . . . 159 Ala HA . 25485 1 1867 . 1 1 159 159 ALA HB1 H 1 1.364 0.027 . 1 . . . . 159 Ala HB1 . 25485 1 1868 . 1 1 159 159 ALA HB2 H 1 1.364 0.027 . 1 . . . . 159 Ala HB2 . 25485 1 1869 . 1 1 159 159 ALA HB3 H 1 1.364 0.027 . 1 . . . . 159 Ala HB3 . 25485 1 1870 . 1 1 159 159 ALA C C 13 174.035 0.002 . 1 . . . . 159 Ala C . 25485 1 1871 . 1 1 159 159 ALA CA C 13 51.130 0.140 . 1 . . . . 159 Ala CA . 25485 1 1872 . 1 1 159 159 ALA CB C 13 24.037 0.013 . 1 . . . . 159 Ala CB . 25485 1 1873 . 1 1 159 159 ALA N N 15 118.276 0.095 . 1 . . . . 159 Ala N . 25485 1 1874 . 1 1 160 160 PHE H H 1 7.912 0.028 . 1 . . . . 160 Phe H . 25485 1 1875 . 1 1 160 160 PHE HA H 1 4.503 0.029 . 1 . . . . 160 Phe HA . 25485 1 1876 . 1 1 160 160 PHE HB2 H 1 3.047 0.019 . 2 . . . . 160 Phe HB2 . 25485 1 1877 . 1 1 160 160 PHE HB3 H 1 3.047 0.019 . 2 . . . . 160 Phe HB3 . 25485 1 1878 . 1 1 160 160 PHE HD1 H 1 7.135 0.025 . 1 . . . . 160 Phe HD1 . 25485 1 1879 . 1 1 160 160 PHE HD2 H 1 7.135 0.025 . 1 . . . . 160 Phe HD2 . 25485 1 1880 . 1 1 160 160 PHE HE1 H 1 6.801 0.008 . 1 . . . . 160 Phe HE1 . 25485 1 1881 . 1 1 160 160 PHE HE2 H 1 6.801 0.008 . 1 . . . . 160 Phe HE2 . 25485 1 1882 . 1 1 160 160 PHE C C 13 174.448 0.040 . 1 . . . . 160 Phe C . 25485 1 1883 . 1 1 160 160 PHE CA C 13 56.854 0.027 . 1 . . . . 160 Phe CA . 25485 1 1884 . 1 1 160 160 PHE CB C 13 42.156 0.024 . 1 . . . . 160 Phe CB . 25485 1 1885 . 1 1 160 160 PHE CD1 C 13 132.588 0.045 . 1 . . . . 160 Phe CD1 . 25485 1 1886 . 1 1 160 160 PHE CD2 C 13 132.588 0.045 . 1 . . . . 160 Phe CD2 . 25485 1 1887 . 1 1 160 160 PHE CE1 C 13 130.236 0.004 . 1 . . . . 160 Phe CE1 . 25485 1 1888 . 1 1 160 160 PHE CE2 C 13 130.236 0.004 . 1 . . . . 160 Phe CE2 . 25485 1 1889 . 1 1 160 160 PHE N N 15 117.937 0.074 . 1 . . . . 160 Phe N . 25485 1 1890 . 1 1 161 161 ALA H H 1 8.107 0.034 . 1 . . . . 161 Ala H . 25485 1 1891 . 1 1 161 161 ALA HA H 1 4.491 0.019 . 1 . . . . 161 Ala HA . 25485 1 1892 . 1 1 161 161 ALA HB1 H 1 1.230 0.028 . 1 . . . . 161 Ala HB1 . 25485 1 1893 . 1 1 161 161 ALA HB2 H 1 1.230 0.028 . 1 . . . . 161 Ala HB2 . 25485 1 1894 . 1 1 161 161 ALA HB3 H 1 1.230 0.028 . 1 . . . . 161 Ala HB3 . 25485 1 1895 . 1 1 161 161 ALA C C 13 175.503 0.000 . 1 . . . . 161 Ala C . 25485 1 1896 . 1 1 161 161 ALA CA C 13 50.610 0.033 . 1 . . . . 161 Ala CA . 25485 1 1897 . 1 1 161 161 ALA CB C 13 16.562 0.057 . 1 . . . . 161 Ala CB . 25485 1 1898 . 1 1 161 161 ALA N N 15 123.531 0.054 . 1 . . . . 161 Ala N . 25485 1 1899 . 1 1 162 162 PRO HA H 1 2.910 0.013 . 1 . . . . 162 Pro HA . 25485 1 1900 . 1 1 162 162 PRO HB2 H 1 -0.316 0.043 . 2 . . . . 162 Pro HB2 . 25485 1 1901 . 1 1 162 162 PRO HB3 H 1 0.543 0.006 . 2 . . . . 162 Pro HB3 . 25485 1 1902 . 1 1 162 162 PRO HG2 H 1 1.048 0.038 . 2 . . . . 162 Pro HG2 . 25485 1 1903 . 1 1 162 162 PRO HG3 H 1 1.071 0.039 . 2 . . . . 162 Pro HG3 . 25485 1 1904 . 1 1 162 162 PRO HD2 H 1 2.975 0.022 . 2 . . . . 162 Pro HD2 . 25485 1 1905 . 1 1 162 162 PRO HD3 H 1 3.479 0.012 . 2 . . . . 162 Pro HD3 . 25485 1 1906 . 1 1 162 162 PRO C C 13 173.463 0.007 . 1 . . . . 162 Pro C . 25485 1 1907 . 1 1 162 162 PRO CA C 13 64.241 0.071 . 1 . . . . 162 Pro CA . 25485 1 1908 . 1 1 162 162 PRO CB C 13 31.251 0.089 . 1 . . . . 162 Pro CB . 25485 1 1909 . 1 1 162 162 PRO CG C 13 25.814 0.000 . 1 . . . . 162 Pro CG . 25485 1 1910 . 1 1 162 162 PRO CD C 13 49.046 0.013 . 1 . . . . 162 Pro CD . 25485 1 1911 . 1 1 163 163 GLY H H 1 5.997 0.028 . 1 . . . . 163 Gly H . 25485 1 1912 . 1 1 163 163 GLY HA2 H 1 3.789 0.022 . 1 . . . . 163 Gly HA2 . 25485 1 1913 . 1 1 163 163 GLY HA3 H 1 4.168 0.021 . 1 . . . . 163 Gly HA3 . 25485 1 1914 . 1 1 163 163 GLY C C 13 172.092 0.000 . 1 . . . . 163 Gly C . 25485 1 1915 . 1 1 163 163 GLY CA C 13 43.976 0.058 . 1 . . . . 163 Gly CA . 25485 1 1916 . 1 1 163 163 GLY N N 15 107.206 0.080 . 1 . . . . 163 Gly N . 25485 1 1917 . 1 1 165 165 GLY H H 1 9.145 0.007 . 1 . . . . 165 Gly H . 25485 1 1918 . 1 1 165 165 GLY HA2 H 1 3.793 0.021 . 1 . . . . 165 Gly HA2 . 25485 1 1919 . 1 1 165 165 GLY HA3 H 1 4.120 0.024 . 1 . . . . 165 Gly HA3 . 25485 1 1920 . 1 1 165 165 GLY C C 13 177.158 0.000 . 1 . . . . 165 Gly C . 25485 1 1921 . 1 1 165 165 GLY CA C 13 44.269 0.097 . 1 . . . . 165 Gly CA . 25485 1 1922 . 1 1 165 165 GLY N N 15 103.110 0.000 . 1 . . . . 165 Gly N . 25485 1 1923 . 1 1 166 166 LEU HA H 1 4.179 0.014 . 1 . . . . 166 Leu HA . 25485 1 1924 . 1 1 166 166 LEU HB2 H 1 0.745 0.025 . 2 . . . . 166 Leu HB2 . 25485 1 1925 . 1 1 166 166 LEU HB3 H 1 1.238 0.017 . 2 . . . . 166 Leu HB3 . 25485 1 1926 . 1 1 166 166 LEU HG H 1 1.255 0.006 . 1 . . . . 166 Leu HG . 25485 1 1927 . 1 1 166 166 LEU HD11 H 1 0.664 0.018 . 1 . . . . 166 Leu HD11 . 25485 1 1928 . 1 1 166 166 LEU HD12 H 1 0.664 0.018 . 1 . . . . 166 Leu HD12 . 25485 1 1929 . 1 1 166 166 LEU HD13 H 1 0.664 0.018 . 1 . . . . 166 Leu HD13 . 25485 1 1930 . 1 1 166 166 LEU HD21 H 1 0.652 0.019 . 1 . . . . 166 Leu HD21 . 25485 1 1931 . 1 1 166 166 LEU HD22 H 1 0.652 0.019 . 1 . . . . 166 Leu HD22 . 25485 1 1932 . 1 1 166 166 LEU HD23 H 1 0.652 0.019 . 1 . . . . 166 Leu HD23 . 25485 1 1933 . 1 1 166 166 LEU C C 13 176.450 0.061 . 1 . . . . 166 Leu C . 25485 1 1934 . 1 1 166 166 LEU CA C 13 56.150 0.131 . 1 . . . . 166 Leu CA . 25485 1 1935 . 1 1 166 166 LEU CB C 13 41.768 0.056 . 1 . . . . 166 Leu CB . 25485 1 1936 . 1 1 166 166 LEU CG C 13 26.864 0.022 . 1 . . . . 166 Leu CG . 25485 1 1937 . 1 1 166 166 LEU CD1 C 13 24.726 0.000 . 1 . . . . 166 Leu CD1 . 25485 1 1938 . 1 1 166 166 LEU CD2 C 13 23.786 0.079 . 1 . . . . 166 Leu CD2 . 25485 1 1939 . 1 1 167 167 GLY H H 1 7.768 0.022 . 1 . . . . 167 Gly H . 25485 1 1940 . 1 1 167 167 GLY HA2 H 1 3.070 0.030 . 1 . . . . 167 Gly HA2 . 25485 1 1941 . 1 1 167 167 GLY HA3 H 1 3.802 0.028 . 1 . . . . 167 Gly HA3 . 25485 1 1942 . 1 1 167 167 GLY C C 13 174.800 0.010 . 1 . . . . 167 Gly C . 25485 1 1943 . 1 1 167 167 GLY CA C 13 47.209 0.091 . 1 . . . . 167 Gly CA . 25485 1 1944 . 1 1 167 167 GLY N N 15 103.318 0.132 . 1 . . . . 167 Gly N . 25485 1 1945 . 1 1 168 168 GLY H H 1 7.698 0.028 . 1 . . . . 168 Gly H . 25485 1 1946 . 1 1 168 168 GLY HA2 H 1 4.230 0.031 . 1 . . . . 168 Gly HA2 . 25485 1 1947 . 1 1 168 168 GLY HA3 H 1 4.661 0.000 . 1 . . . . 168 Gly HA3 . 25485 1 1948 . 1 1 168 168 GLY C C 13 172.121 0.005 . 1 . . . . 168 Gly C . 25485 1 1949 . 1 1 168 168 GLY CA C 13 46.615 0.037 . 1 . . . . 168 Gly CA . 25485 1 1950 . 1 1 168 168 GLY N N 15 121.051 0.053 . 1 . . . . 168 Gly N . 25485 1 1951 . 1 1 169 169 ASP H H 1 8.595 0.023 . 1 . . . . 169 Asp H . 25485 1 1952 . 1 1 169 169 ASP C C 13 173.944 0.009 . 1 . . . . 169 Asp C . 25485 1 1953 . 1 1 169 169 ASP CA C 13 55.832 0.197 . 1 . . . . 169 Asp CA . 25485 1 1954 . 1 1 169 169 ASP CB C 13 39.907 0.159 . 1 . . . . 169 Asp CB . 25485 1 1955 . 1 1 169 169 ASP N N 15 123.641 0.119 . 1 . . . . 169 Asp N . 25485 1 1956 . 1 1 170 170 ALA H H 1 8.324 0.015 . 1 . . . . 170 Ala H . 25485 1 1957 . 1 1 170 170 ALA HA H 1 4.730 0.000 . 1 . . . . 170 Ala HA . 25485 1 1958 . 1 1 170 170 ALA HB1 H 1 1.072 0.042 . 1 . . . . 170 Ala HB1 . 25485 1 1959 . 1 1 170 170 ALA HB2 H 1 1.072 0.042 . 1 . . . . 170 Ala HB2 . 25485 1 1960 . 1 1 170 170 ALA HB3 H 1 1.072 0.042 . 1 . . . . 170 Ala HB3 . 25485 1 1961 . 1 1 170 170 ALA C C 13 174.592 0.007 . 1 . . . . 170 Ala C . 25485 1 1962 . 1 1 170 170 ALA CA C 13 51.116 0.151 . 1 . . . . 170 Ala CA . 25485 1 1963 . 1 1 170 170 ALA CB C 13 22.282 0.109 . 1 . . . . 170 Ala CB . 25485 1 1964 . 1 1 170 170 ALA N N 15 119.366 0.076 . 1 . . . . 170 Ala N . 25485 1 1965 . 1 1 171 171 HIS H H 1 8.499 0.020 . 1 . . . . 171 His H . 25485 1 1966 . 1 1 171 171 HIS HA H 1 5.748 0.026 . 1 . . . . 171 His HA . 25485 1 1967 . 1 1 171 171 HIS HB2 H 1 2.662 0.043 . 2 . . . . 171 His HB2 . 25485 1 1968 . 1 1 171 171 HIS HB3 H 1 2.921 0.013 . 2 . . . . 171 His HB3 . 25485 1 1969 . 1 1 171 171 HIS HD2 H 1 7.141 0.037 . 1 . . . . 171 His HD2 . 25485 1 1970 . 1 1 171 171 HIS HE1 H 1 7.878 0.000 . 1 . . . . 171 His HE1 . 25485 1 1971 . 1 1 171 171 HIS C C 13 172.948 0.003 . 1 . . . . 171 His C . 25485 1 1972 . 1 1 171 171 HIS CA C 13 50.729 0.029 . 1 . . . . 171 His CA . 25485 1 1973 . 1 1 171 171 HIS CB C 13 34.531 0.146 . 1 . . . . 171 His CB . 25485 1 1974 . 1 1 171 171 HIS CD2 C 13 116.985 0.000 . 1 . . . . 171 His CD2 . 25485 1 1975 . 1 1 171 171 HIS CE1 C 13 137.341 0.018 . 1 . . . . 171 His CE1 . 25485 1 1976 . 1 1 171 171 HIS N N 15 120.239 0.041 . 1 . . . . 171 His N . 25485 1 1977 . 1 1 172 172 PHE H H 1 8.445 0.026 . 1 . . . . 172 Phe H . 25485 1 1978 . 1 1 172 172 PHE HA H 1 4.528 0.029 . 1 . . . . 172 Phe HA . 25485 1 1979 . 1 1 172 172 PHE HB2 H 1 1.345 0.039 . 2 . . . . 172 Phe HB2 . 25485 1 1980 . 1 1 172 172 PHE HB3 H 1 2.422 0.024 . 2 . . . . 172 Phe HB3 . 25485 1 1981 . 1 1 172 172 PHE HD1 H 1 6.620 0.020 . 1 . . . . 172 Phe HD1 . 25485 1 1982 . 1 1 172 172 PHE HD2 H 1 6.620 0.020 . 1 . . . . 172 Phe HD2 . 25485 1 1983 . 1 1 172 172 PHE HE1 H 1 6.666 0.027 . 1 . . . . 172 Phe HE1 . 25485 1 1984 . 1 1 172 172 PHE HE2 H 1 6.666 0.027 . 1 . . . . 172 Phe HE2 . 25485 1 1985 . 1 1 172 172 PHE C C 13 173.875 0.004 . 1 . . . . 172 Phe C . 25485 1 1986 . 1 1 172 172 PHE CA C 13 56.909 0.138 . 1 . . . . 172 Phe CA . 25485 1 1987 . 1 1 172 172 PHE CB C 13 41.918 0.097 . 1 . . . . 172 Phe CB . 25485 1 1988 . 1 1 172 172 PHE CD1 C 13 132.247 0.001 . 1 . . . . 172 Phe CD1 . 25485 1 1989 . 1 1 172 172 PHE CD2 C 13 132.247 0.001 . 1 . . . . 172 Phe CD2 . 25485 1 1990 . 1 1 172 172 PHE CE1 C 13 129.027 0.003 . 1 . . . . 172 Phe CE1 . 25485 1 1991 . 1 1 172 172 PHE CE2 C 13 129.027 0.003 . 1 . . . . 172 Phe CE2 . 25485 1 1992 . 1 1 172 172 PHE N N 15 121.125 0.011 . 1 . . . . 172 Phe N . 25485 1 1993 . 1 1 173 173 ASP H H 1 7.927 0.017 . 1 . . . . 173 Asp H . 25485 1 1994 . 1 1 173 173 ASP HA H 1 3.914 0.019 . 1 . . . . 173 Asp HA . 25485 1 1995 . 1 1 173 173 ASP HB2 H 1 2.738 0.031 . 2 . . . . 173 Asp HB2 . 25485 1 1996 . 1 1 173 173 ASP HB3 H 1 2.708 0.004 . 2 . . . . 173 Asp HB3 . 25485 1 1997 . 1 1 173 173 ASP C C 13 178.612 0.001 . 1 . . . . 173 Asp C . 25485 1 1998 . 1 1 173 173 ASP CA C 13 54.793 0.021 . 1 . . . . 173 Asp CA . 25485 1 1999 . 1 1 173 173 ASP CB C 13 40.741 0.019 . 1 . . . . 173 Asp CB . 25485 1 2000 . 1 1 173 173 ASP N N 15 124.014 0.101 . 1 . . . . 173 Asp N . 25485 1 2001 . 1 1 174 174 GLU H H 1 9.528 0.015 . 1 . . . . 174 Glu H . 25485 1 2002 . 1 1 174 174 GLU HB2 H 1 1.750 0.019 . 2 . . . . 174 Glu HB2 . 25485 1 2003 . 1 1 174 174 GLU HB3 H 1 2.032 0.036 . 2 . . . . 174 Glu HB3 . 25485 1 2004 . 1 1 174 174 GLU HG2 H 1 2.573 0.007 . 2 . . . . 174 Glu HG2 . 25485 1 2005 . 1 1 174 174 GLU HG3 H 1 2.573 0.007 . 2 . . . . 174 Glu HG3 . 25485 1 2006 . 1 1 174 174 GLU C C 13 176.442 0.000 . 1 . . . . 174 Glu C . 25485 1 2007 . 1 1 174 174 GLU CA C 13 57.183 0.142 . 1 . . . . 174 Glu CA . 25485 1 2008 . 1 1 174 174 GLU CB C 13 30.361 0.141 . 1 . . . . 174 Glu CB . 25485 1 2009 . 1 1 174 174 GLU CG C 13 36.454 0.000 . 1 . . . . 174 Glu CG . 25485 1 2010 . 1 1 174 174 GLU N N 15 132.469 0.086 . 1 . . . . 174 Glu N . 25485 1 2011 . 1 1 175 175 ASP H H 1 8.768 0.017 . 1 . . . . 175 Asp H . 25485 1 2012 . 1 1 175 175 ASP HA H 1 4.793 0.028 . 1 . . . . 175 Asp HA . 25485 1 2013 . 1 1 175 175 ASP HB2 H 1 2.554 0.034 . 2 . . . . 175 Asp HB2 . 25485 1 2014 . 1 1 175 175 ASP HB3 H 1 2.479 0.033 . 2 . . . . 175 Asp HB3 . 25485 1 2015 . 1 1 175 175 ASP C C 13 176.643 0.020 . 1 . . . . 175 Asp C . 25485 1 2016 . 1 1 175 175 ASP CA C 13 55.928 0.179 . 1 . . . . 175 Asp CA . 25485 1 2017 . 1 1 175 175 ASP CB C 13 40.159 0.019 . 1 . . . . 175 Asp CB . 25485 1 2018 . 1 1 175 175 ASP N N 15 117.394 0.072 . 1 . . . . 175 Asp N . 25485 1 2019 . 1 1 176 176 GLU H H 1 7.159 0.010 . 1 . . . . 176 Glu H . 25485 1 2020 . 1 1 176 176 GLU HB2 H 1 1.849 0.034 . 2 . . . . 176 Glu HB2 . 25485 1 2021 . 1 1 176 176 GLU HB3 H 1 1.849 0.034 . 2 . . . . 176 Glu HB3 . 25485 1 2022 . 1 1 176 176 GLU HG2 H 1 2.752 0.026 . 2 . . . . 176 Glu HG2 . 25485 1 2023 . 1 1 176 176 GLU HG3 H 1 2.854 0.000 . 2 . . . . 176 Glu HG3 . 25485 1 2024 . 1 1 176 176 GLU C C 13 175.037 0.004 . 1 . . . . 176 Glu C . 25485 1 2025 . 1 1 176 176 GLU CA C 13 53.627 0.165 . 1 . . . . 176 Glu CA . 25485 1 2026 . 1 1 176 176 GLU CB C 13 26.223 0.000 . 1 . . . . 176 Glu CB . 25485 1 2027 . 1 1 176 176 GLU CG C 13 30.323 0.021 . 1 . . . . 176 Glu CG . 25485 1 2028 . 1 1 176 176 GLU N N 15 116.490 0.105 . 1 . . . . 176 Glu N . 25485 1 2029 . 1 1 177 177 ARG H H 1 7.557 0.025 . 1 . . . . 177 Arg H . 25485 1 2030 . 1 1 177 177 ARG HA H 1 4.691 0.007 . 1 . . . . 177 Arg HA . 25485 1 2031 . 1 1 177 177 ARG HB2 H 1 1.720 0.016 . 2 . . . . 177 Arg HB2 . 25485 1 2032 . 1 1 177 177 ARG HB3 H 1 1.720 0.016 . 2 . . . . 177 Arg HB3 . 25485 1 2033 . 1 1 177 177 ARG HG2 H 1 1.468 0.024 . 2 . . . . 177 Arg HG2 . 25485 1 2034 . 1 1 177 177 ARG HG3 H 1 1.468 0.024 . 2 . . . . 177 Arg HG3 . 25485 1 2035 . 1 1 177 177 ARG C C 13 174.482 0.012 . 1 . . . . 177 Arg C . 25485 1 2036 . 1 1 177 177 ARG CA C 13 53.684 0.152 . 1 . . . . 177 Arg CA . 25485 1 2037 . 1 1 177 177 ARG CB C 13 29.054 0.025 . 1 . . . . 177 Arg CB . 25485 1 2038 . 1 1 177 177 ARG N N 15 122.141 0.201 . 1 . . . . 177 Arg N . 25485 1 2039 . 1 1 178 178 TRP H H 1 8.807 0.027 . 1 . . . . 178 Trp H . 25485 1 2040 . 1 1 178 178 TRP HA H 1 5.100 0.036 . 1 . . . . 178 Trp HA . 25485 1 2041 . 1 1 178 178 TRP HB2 H 1 3.040 0.017 . 2 . . . . 178 Trp HB2 . 25485 1 2042 . 1 1 178 178 TRP HB3 H 1 3.040 0.017 . 2 . . . . 178 Trp HB3 . 25485 1 2043 . 1 1 178 178 TRP HD1 H 1 7.557 0.021 . 1 . . . . 178 Trp HD1 . 25485 1 2044 . 1 1 178 178 TRP HE1 H 1 10.211 0.021 . 1 . . . . 178 Trp HE1 . 25485 1 2045 . 1 1 178 178 TRP HE3 H 1 7.707 0.018 . 1 . . . . 178 Trp HE3 . 25485 1 2046 . 1 1 178 178 TRP HZ2 H 1 8.137 0.014 . 1 . . . . 178 Trp HZ2 . 25485 1 2047 . 1 1 178 178 TRP HZ3 H 1 6.968 0.032 . 1 . . . . 178 Trp HZ3 . 25485 1 2048 . 1 1 178 178 TRP HH2 H 1 7.174 0.022 . 1 . . . . 178 Trp HH2 . 25485 1 2049 . 1 1 178 178 TRP C C 13 176.297 0.002 . 1 . . . . 178 Trp C . 25485 1 2050 . 1 1 178 178 TRP CA C 13 56.842 0.132 . 1 . . . . 178 Trp CA . 25485 1 2051 . 1 1 178 178 TRP CB C 13 31.184 0.054 . 1 . . . . 178 Trp CB . 25485 1 2052 . 1 1 178 178 TRP CD1 C 13 128.395 0.011 . 1 . . . . 178 Trp CD1 . 25485 1 2053 . 1 1 178 178 TRP CE3 C 13 120.535 0.007 . 1 . . . . 178 Trp CE3 . 25485 1 2054 . 1 1 178 178 TRP CZ2 C 13 116.148 0.110 . 1 . . . . 178 Trp CZ2 . 25485 1 2055 . 1 1 178 178 TRP CZ3 C 13 121.997 0.000 . 1 . . . . 178 Trp CZ3 . 25485 1 2056 . 1 1 178 178 TRP CH2 C 13 123.028 0.000 . 1 . . . . 178 Trp CH2 . 25485 1 2057 . 1 1 178 178 TRP N N 15 129.179 0.060 . 1 . . . . 178 Trp N . 25485 1 2058 . 1 1 178 178 TRP NE1 N 15 129.104 0.097 . 1 . . . . 178 Trp NE1 . 25485 1 2059 . 1 1 179 179 THR H H 1 8.974 0.032 . 1 . . . . 179 Thr H . 25485 1 2060 . 1 1 179 179 THR HA H 1 4.985 0.053 . 1 . . . . 179 Thr HA . 25485 1 2061 . 1 1 179 179 THR HB H 1 4.128 0.042 . 1 . . . . 179 Thr HB . 25485 1 2062 . 1 1 179 179 THR HG21 H 1 0.900 0.032 . 1 . . . . 179 Thr HG21 . 25485 1 2063 . 1 1 179 179 THR HG22 H 1 0.900 0.032 . 1 . . . . 179 Thr HG22 . 25485 1 2064 . 1 1 179 179 THR HG23 H 1 0.900 0.032 . 1 . . . . 179 Thr HG23 . 25485 1 2065 . 1 1 179 179 THR C C 13 172.762 0.016 . 1 . . . . 179 Thr C . 25485 1 2066 . 1 1 179 179 THR CA C 13 59.100 0.129 . 1 . . . . 179 Thr CA . 25485 1 2067 . 1 1 179 179 THR CB C 13 71.734 0.058 . 1 . . . . 179 Thr CB . 25485 1 2068 . 1 1 179 179 THR CG2 C 13 19.495 0.073 . 1 . . . . 179 Thr CG2 . 25485 1 2069 . 1 1 179 179 THR N N 15 112.792 0.083 . 1 . . . . 179 Thr N . 25485 1 2070 . 1 1 180 180 ASP H H 1 8.485 0.022 . 1 . . . . 180 Asp H . 25485 1 2071 . 1 1 180 180 ASP HA H 1 4.463 0.039 . 1 . . . . 180 Asp HA . 25485 1 2072 . 1 1 180 180 ASP HB2 H 1 2.431 0.034 . 2 . . . . 180 Asp HB2 . 25485 1 2073 . 1 1 180 180 ASP HB3 H 1 3.059 0.030 . 2 . . . . 180 Asp HB3 . 25485 1 2074 . 1 1 180 180 ASP C C 13 176.365 0.004 . 1 . . . . 180 Asp C . 25485 1 2075 . 1 1 180 180 ASP CA C 13 53.028 0.426 . 1 . . . . 180 Asp CA . 25485 1 2076 . 1 1 180 180 ASP CB C 13 41.726 0.118 . 1 . . . . 180 Asp CB . 25485 1 2077 . 1 1 180 180 ASP N N 15 122.074 0.115 . 1 . . . . 180 Asp N . 25485 1 2078 . 1 1 181 181 GLY H H 1 8.569 0.007 . 1 . . . . 181 Gly H . 25485 1 2079 . 1 1 181 181 GLY HA2 H 1 3.841 0.000 . 1 . . . . 181 Gly HA2 . 25485 1 2080 . 1 1 181 181 GLY HA3 H 1 3.841 0.000 . 1 . . . . 181 Gly HA3 . 25485 1 2081 . 1 1 181 181 GLY C C 13 174.325 0.001 . 1 . . . . 181 Gly C . 25485 1 2082 . 1 1 181 181 GLY CA C 13 47.660 0.000 . 1 . . . . 181 Gly CA . 25485 1 2083 . 1 1 181 181 GLY N N 15 110.123 0.036 . 1 . . . . 181 Gly N . 25485 1 2084 . 1 1 182 182 SER H H 1 8.160 0.022 . 1 . . . . 182 Ser H . 25485 1 2085 . 1 1 182 182 SER HA H 1 4.519 0.001 . 1 . . . . 182 Ser HA . 25485 1 2086 . 1 1 182 182 SER HB2 H 1 3.911 0.001 . 2 . . . . 182 Ser HB2 . 25485 1 2087 . 1 1 182 182 SER HB3 H 1 3.911 0.001 . 2 . . . . 182 Ser HB3 . 25485 1 2088 . 1 1 182 182 SER C C 13 173.790 0.027 . 1 . . . . 182 Ser C . 25485 1 2089 . 1 1 182 182 SER CA C 13 57.973 0.037 . 1 . . . . 182 Ser CA . 25485 1 2090 . 1 1 182 182 SER CB C 13 64.121 0.188 . 1 . . . . 182 Ser CB . 25485 1 2091 . 1 1 182 182 SER N N 15 115.562 0.000 . 1 . . . . 182 Ser N . 25485 1 2092 . 1 1 183 183 SER H H 1 7.796 0.025 . 1 . . . . 183 Ser H . 25485 1 2093 . 1 1 183 183 SER HA H 1 4.275 0.001 . 1 . . . . 183 Ser HA . 25485 1 2094 . 1 1 183 183 SER HB2 H 1 3.858 0.018 . 2 . . . . 183 Ser HB2 . 25485 1 2095 . 1 1 183 183 SER HB3 H 1 3.858 0.018 . 2 . . . . 183 Ser HB3 . 25485 1 2096 . 1 1 183 183 SER C C 13 173.335 0.006 . 1 . . . . 183 Ser C . 25485 1 2097 . 1 1 183 183 SER CA C 13 59.893 0.012 . 1 . . . . 183 Ser CA . 25485 1 2098 . 1 1 183 183 SER CB C 13 65.004 0.032 . 1 . . . . 183 Ser CB . 25485 1 2099 . 1 1 183 183 SER N N 15 117.153 0.000 . 1 . . . . 183 Ser N . 25485 1 2100 . 1 1 184 184 LEU H H 1 8.092 0.032 . 1 . . . . 184 Leu H . 25485 1 2101 . 1 1 184 184 LEU HA H 1 4.392 0.019 . 1 . . . . 184 Leu HA . 25485 1 2102 . 1 1 184 184 LEU HB2 H 1 1.526 0.027 . 2 . . . . 184 Leu HB2 . 25485 1 2103 . 1 1 184 184 LEU HB3 H 1 1.636 0.019 . 2 . . . . 184 Leu HB3 . 25485 1 2104 . 1 1 184 184 LEU HG H 1 1.637 0.026 . 1 . . . . 184 Leu HG . 25485 1 2105 . 1 1 184 184 LEU HD11 H 1 0.909 0.023 . 1 . . . . 184 Leu HD11 . 25485 1 2106 . 1 1 184 184 LEU HD12 H 1 0.909 0.023 . 1 . . . . 184 Leu HD12 . 25485 1 2107 . 1 1 184 184 LEU HD13 H 1 0.909 0.023 . 1 . . . . 184 Leu HD13 . 25485 1 2108 . 1 1 184 184 LEU HD21 H 1 0.890 0.027 . 1 . . . . 184 Leu HD21 . 25485 1 2109 . 1 1 184 184 LEU HD22 H 1 0.890 0.027 . 1 . . . . 184 Leu HD22 . 25485 1 2110 . 1 1 184 184 LEU HD23 H 1 0.890 0.027 . 1 . . . . 184 Leu HD23 . 25485 1 2111 . 1 1 184 184 LEU C C 13 176.249 0.003 . 1 . . . . 184 Leu C . 25485 1 2112 . 1 1 184 184 LEU CA C 13 55.468 0.085 . 1 . . . . 184 Leu CA . 25485 1 2113 . 1 1 184 184 LEU CB C 13 42.056 0.120 . 1 . . . . 184 Leu CB . 25485 1 2114 . 1 1 184 184 LEU CG C 13 26.800 0.001 . 1 . . . . 184 Leu CG . 25485 1 2115 . 1 1 184 184 LEU CD1 C 13 24.753 0.006 . 1 . . . . 184 Leu CD1 . 25485 1 2116 . 1 1 184 184 LEU CD2 C 13 23.342 0.000 . 1 . . . . 184 Leu CD2 . 25485 1 2117 . 1 1 184 184 LEU N N 15 122.351 0.001 . 1 . . . . 184 Leu N . 25485 1 2118 . 1 1 185 185 GLY H H 1 7.960 0.023 . 1 . . . . 185 Gly H . 25485 1 2119 . 1 1 185 185 GLY HA2 H 1 3.906 0.001 . 1 . . . . 185 Gly HA2 . 25485 1 2120 . 1 1 185 185 GLY HA3 H 1 3.906 0.001 . 1 . . . . 185 Gly HA3 . 25485 1 2121 . 1 1 185 185 GLY C C 13 172.374 0.004 . 1 . . . . 185 Gly C . 25485 1 2122 . 1 1 185 185 GLY CA C 13 44.365 0.032 . 1 . . . . 185 Gly CA . 25485 1 2123 . 1 1 185 185 GLY N N 15 108.871 0.001 . 1 . . . . 185 Gly N . 25485 1 2124 . 1 1 186 186 ILE H H 1 8.893 0.037 . 1 . . . . 186 Ile H . 25485 1 2125 . 1 1 186 186 ILE HA H 1 3.840 0.033 . 1 . . . . 186 Ile HA . 25485 1 2126 . 1 1 186 186 ILE HB H 1 1.138 0.030 . 1 . . . . 186 Ile HB . 25485 1 2127 . 1 1 186 186 ILE HG12 H 1 1.110 0.029 . 2 . . . . 186 Ile HG12 . 25485 1 2128 . 1 1 186 186 ILE HG13 H 1 1.110 0.028 . 2 . . . . 186 Ile HG13 . 25485 1 2129 . 1 1 186 186 ILE HG21 H 1 0.199 0.026 . 1 . . . . 186 Ile HG21 . 25485 1 2130 . 1 1 186 186 ILE HG22 H 1 0.199 0.026 . 1 . . . . 186 Ile HG22 . 25485 1 2131 . 1 1 186 186 ILE HG23 H 1 0.199 0.026 . 1 . . . . 186 Ile HG23 . 25485 1 2132 . 1 1 186 186 ILE HD11 H 1 0.144 0.021 . 1 . . . . 186 Ile HD11 . 25485 1 2133 . 1 1 186 186 ILE HD12 H 1 0.144 0.021 . 1 . . . . 186 Ile HD12 . 25485 1 2134 . 1 1 186 186 ILE HD13 H 1 0.144 0.021 . 1 . . . . 186 Ile HD13 . 25485 1 2135 . 1 1 186 186 ILE C C 13 175.350 0.001 . 1 . . . . 186 Ile C . 25485 1 2136 . 1 1 186 186 ILE CA C 13 58.375 0.081 . 1 . . . . 186 Ile CA . 25485 1 2137 . 1 1 186 186 ILE CB C 13 35.444 0.078 . 1 . . . . 186 Ile CB . 25485 1 2138 . 1 1 186 186 ILE CG1 C 13 25.702 0.108 . 1 . . . . 186 Ile CG1 . 25485 1 2139 . 1 1 186 186 ILE CG2 C 13 18.771 0.048 . 1 . . . . 186 Ile CG2 . 25485 1 2140 . 1 1 186 186 ILE CD1 C 13 8.965 0.209 . 1 . . . . 186 Ile CD1 . 25485 1 2141 . 1 1 186 186 ILE N N 15 123.096 0.092 . 1 . . . . 186 Ile N . 25485 1 2142 . 1 1 187 187 ASN H H 1 8.587 0.028 . 1 . . . . 187 Asn H . 25485 1 2143 . 1 1 187 187 ASN HA H 1 4.353 0.002 . 1 . . . . 187 Asn HA . 25485 1 2144 . 1 1 187 187 ASN HB2 H 1 2.985 0.034 . 2 . . . . 187 Asn HB2 . 25485 1 2145 . 1 1 187 187 ASN HB3 H 1 3.166 0.000 . 2 . . . . 187 Asn HB3 . 25485 1 2146 . 1 1 187 187 ASN C C 13 175.839 0.041 . 1 . . . . 187 Asn C . 25485 1 2147 . 1 1 187 187 ASN CA C 13 55.544 0.119 . 1 . . . . 187 Asn CA . 25485 1 2148 . 1 1 187 187 ASN CB C 13 39.132 0.147 . 1 . . . . 187 Asn CB . 25485 1 2149 . 1 1 187 187 ASN N N 15 126.968 0.203 . 1 . . . . 187 Asn N . 25485 1 2150 . 1 1 188 188 PHE H H 1 9.361 0.027 . 1 . . . . 188 Phe H . 25485 1 2151 . 1 1 188 188 PHE HA H 1 4.573 0.046 . 1 . . . . 188 Phe HA . 25485 1 2152 . 1 1 188 188 PHE HB2 H 1 3.465 0.013 . 2 . . . . 188 Phe HB2 . 25485 1 2153 . 1 1 188 188 PHE HB3 H 1 3.465 0.013 . 2 . . . . 188 Phe HB3 . 25485 1 2154 . 1 1 188 188 PHE HD1 H 1 6.601 0.022 . 1 . . . . 188 Phe HD1 . 25485 1 2155 . 1 1 188 188 PHE HD2 H 1 6.601 0.022 . 1 . . . . 188 Phe HD2 . 25485 1 2156 . 1 1 188 188 PHE HE1 H 1 5.874 0.029 . 1 . . . . 188 Phe HE1 . 25485 1 2157 . 1 1 188 188 PHE HE2 H 1 5.874 0.029 . 1 . . . . 188 Phe HE2 . 25485 1 2158 . 1 1 188 188 PHE C C 13 175.590 0.058 . 1 . . . . 188 Phe C . 25485 1 2159 . 1 1 188 188 PHE CA C 13 61.722 0.029 . 1 . . . . 188 Phe CA . 25485 1 2160 . 1 1 188 188 PHE CB C 13 39.389 0.098 . 1 . . . . 188 Phe CB . 25485 1 2161 . 1 1 188 188 PHE CD1 C 13 130.624 0.010 . 1 . . . . 188 Phe CD1 . 25485 1 2162 . 1 1 188 188 PHE CD2 C 13 130.624 0.010 . 1 . . . . 188 Phe CD2 . 25485 1 2163 . 1 1 188 188 PHE CE1 C 13 130.606 0.001 . 1 . . . . 188 Phe CE1 . 25485 1 2164 . 1 1 188 188 PHE CE2 C 13 130.606 0.001 . 1 . . . . 188 Phe CE2 . 25485 1 2165 . 1 1 188 188 PHE N N 15 129.985 0.053 . 1 . . . . 188 Phe N . 25485 1 2166 . 1 1 189 189 LEU H H 1 8.562 0.022 . 1 . . . . 189 Leu H . 25485 1 2167 . 1 1 189 189 LEU HA H 1 3.801 0.016 . 1 . . . . 189 Leu HA . 25485 1 2168 . 1 1 189 189 LEU HB2 H 1 2.058 0.000 . 2 . . . . 189 Leu HB2 . 25485 1 2169 . 1 1 189 189 LEU HB3 H 1 2.331 0.000 . 2 . . . . 189 Leu HB3 . 25485 1 2170 . 1 1 189 189 LEU HD11 H 1 0.974 0.029 . 2 . . . . 189 Leu HD11 . 25485 1 2171 . 1 1 189 189 LEU HD12 H 1 0.974 0.029 . 2 . . . . 189 Leu HD12 . 25485 1 2172 . 1 1 189 189 LEU HD13 H 1 0.974 0.029 . 2 . . . . 189 Leu HD13 . 25485 1 2173 . 1 1 189 189 LEU HD21 H 1 1.110 0.019 . 2 . . . . 189 Leu HD21 . 25485 1 2174 . 1 1 189 189 LEU HD22 H 1 1.110 0.019 . 2 . . . . 189 Leu HD22 . 25485 1 2175 . 1 1 189 189 LEU HD23 H 1 1.110 0.019 . 2 . . . . 189 Leu HD23 . 25485 1 2176 . 1 1 189 189 LEU C C 13 179.601 0.000 . 1 . . . . 189 Leu C . 25485 1 2177 . 1 1 189 189 LEU CA C 13 58.520 0.033 . 1 . . . . 189 Leu CA . 25485 1 2178 . 1 1 189 189 LEU CB C 13 39.940 0.118 . 1 . . . . 189 Leu CB . 25485 1 2179 . 1 1 189 189 LEU CD1 C 13 23.230 0.095 . 2 . . . . 189 Leu CD1 . 25485 1 2180 . 1 1 189 189 LEU CD2 C 13 25.989 0.155 . 2 . . . . 189 Leu CD2 . 25485 1 2181 . 1 1 189 189 LEU N N 15 119.113 0.012 . 1 . . . . 189 Leu N . 25485 1 2182 . 1 1 190 190 TYR HA H 1 3.917 0.016 . 1 . . . . 190 Tyr HA . 25485 1 2183 . 1 1 190 190 TYR HB2 H 1 3.086 0.014 . 2 . . . . 190 Tyr HB2 . 25485 1 2184 . 1 1 190 190 TYR HB3 H 1 3.142 0.000 . 2 . . . . 190 Tyr HB3 . 25485 1 2185 . 1 1 190 190 TYR C C 13 177.625 0.013 . 1 . . . . 190 Tyr C . 25485 1 2186 . 1 1 190 190 TYR CA C 13 60.775 0.056 . 1 . . . . 190 Tyr CA . 25485 1 2187 . 1 1 190 190 TYR CB C 13 39.187 0.041 . 1 . . . . 190 Tyr CB . 25485 1 2188 . 1 1 191 191 ALA H H 1 7.993 0.033 . 1 . . . . 191 Ala H . 25485 1 2189 . 1 1 191 191 ALA HA H 1 4.315 0.037 . 1 . . . . 191 Ala HA . 25485 1 2190 . 1 1 191 191 ALA HB1 H 1 1.807 0.027 . 1 . . . . 191 Ala HB1 . 25485 1 2191 . 1 1 191 191 ALA HB2 H 1 1.807 0.027 . 1 . . . . 191 Ala HB2 . 25485 1 2192 . 1 1 191 191 ALA HB3 H 1 1.807 0.027 . 1 . . . . 191 Ala HB3 . 25485 1 2193 . 1 1 191 191 ALA C C 13 180.249 0.025 . 1 . . . . 191 Ala C . 25485 1 2194 . 1 1 191 191 ALA CA C 13 55.167 0.107 . 1 . . . . 191 Ala CA . 25485 1 2195 . 1 1 191 191 ALA CB C 13 19.118 0.070 . 1 . . . . 191 Ala CB . 25485 1 2196 . 1 1 191 191 ALA N N 15 120.352 0.052 . 1 . . . . 191 Ala N . 25485 1 2197 . 1 1 192 192 ALA H H 1 9.297 0.032 . 1 . . . . 192 Ala H . 25485 1 2198 . 1 1 192 192 ALA HA H 1 4.057 0.022 . 1 . . . . 192 Ala HA . 25485 1 2199 . 1 1 192 192 ALA HB1 H 1 0.554 0.021 . 1 . . . . 192 Ala HB1 . 25485 1 2200 . 1 1 192 192 ALA HB2 H 1 0.554 0.021 . 1 . . . . 192 Ala HB2 . 25485 1 2201 . 1 1 192 192 ALA HB3 H 1 0.554 0.021 . 1 . . . . 192 Ala HB3 . 25485 1 2202 . 1 1 192 192 ALA C C 13 178.573 0.014 . 1 . . . . 192 Ala C . 25485 1 2203 . 1 1 192 192 ALA CA C 13 55.162 0.082 . 1 . . . . 192 Ala CA . 25485 1 2204 . 1 1 192 192 ALA CB C 13 16.188 0.053 . 1 . . . . 192 Ala CB . 25485 1 2205 . 1 1 192 192 ALA N N 15 121.409 0.090 . 1 . . . . 192 Ala N . 25485 1 2206 . 1 1 193 193 THR H H 1 8.226 0.023 . 1 . . . . 193 Thr H . 25485 1 2207 . 1 1 193 193 THR HA H 1 3.833 0.049 . 1 . . . . 193 Thr HA . 25485 1 2208 . 1 1 193 193 THR HB H 1 4.110 0.027 . 1 . . . . 193 Thr HB . 25485 1 2209 . 1 1 193 193 THR HG21 H 1 1.152 0.041 . 1 . . . . 193 Thr HG21 . 25485 1 2210 . 1 1 193 193 THR HG22 H 1 1.152 0.041 . 1 . . . . 193 Thr HG22 . 25485 1 2211 . 1 1 193 193 THR HG23 H 1 1.152 0.041 . 1 . . . . 193 Thr HG23 . 25485 1 2212 . 1 1 193 193 THR CA C 13 69.143 0.027 . 1 . . . . 193 Thr CA . 25485 1 2213 . 1 1 193 193 THR CB C 13 67.396 0.042 . 1 . . . . 193 Thr CB . 25485 1 2214 . 1 1 193 193 THR CG2 C 13 21.791 0.056 . 1 . . . . 193 Thr CG2 . 25485 1 2215 . 1 1 193 193 THR N N 15 116.996 0.046 . 1 . . . . 193 Thr N . 25485 1 2216 . 1 1 194 194 HIS H H 1 7.782 0.028 . 1 . . . . 194 His H . 25485 1 2217 . 1 1 194 194 HIS HA H 1 4.236 0.047 . 1 . . . . 194 His HA . 25485 1 2218 . 1 1 194 194 HIS HB2 H 1 3.152 0.020 . 2 . . . . 194 His HB2 . 25485 1 2219 . 1 1 194 194 HIS HB3 H 1 3.343 0.020 . 2 . . . . 194 His HB3 . 25485 1 2220 . 1 1 194 194 HIS C C 13 175.968 0.022 . 1 . . . . 194 His C . 25485 1 2221 . 1 1 194 194 HIS CA C 13 59.764 0.117 . 1 . . . . 194 His CA . 25485 1 2222 . 1 1 194 194 HIS CB C 13 27.971 0.103 . 1 . . . . 194 His CB . 25485 1 2223 . 1 1 194 194 HIS N N 15 120.296 0.029 . 1 . . . . 194 His N . 25485 1 2224 . 1 1 195 195 ALA H H 1 8.690 0.030 . 1 . . . . 195 Ala H . 25485 1 2225 . 1 1 195 195 ALA HA H 1 4.156 0.020 . 1 . . . . 195 Ala HA . 25485 1 2226 . 1 1 195 195 ALA HB1 H 1 1.306 0.022 . 1 . . . . 195 Ala HB1 . 25485 1 2227 . 1 1 195 195 ALA HB2 H 1 1.306 0.022 . 1 . . . . 195 Ala HB2 . 25485 1 2228 . 1 1 195 195 ALA HB3 H 1 1.306 0.022 . 1 . . . . 195 Ala HB3 . 25485 1 2229 . 1 1 195 195 ALA CA C 13 55.999 0.139 . 1 . . . . 195 Ala CA . 25485 1 2230 . 1 1 195 195 ALA CB C 13 18.710 0.048 . 1 . . . . 195 Ala CB . 25485 1 2231 . 1 1 195 195 ALA N N 15 121.290 0.095 . 1 . . . . 195 Ala N . 25485 1 2232 . 1 1 196 196 LEU H H 1 8.715 0.028 . 1 . . . . 196 Leu H . 25485 1 2233 . 1 1 196 196 LEU HA H 1 4.170 0.023 . 1 . . . . 196 Leu HA . 25485 1 2234 . 1 1 196 196 LEU HB2 H 1 1.176 0.021 . 2 . . . . 196 Leu HB2 . 25485 1 2235 . 1 1 196 196 LEU HB3 H 1 1.819 0.029 . 2 . . . . 196 Leu HB3 . 25485 1 2236 . 1 1 196 196 LEU HG H 1 1.783 0.019 . 1 . . . . 196 Leu HG . 25485 1 2237 . 1 1 196 196 LEU HD11 H 1 0.697 0.031 . 1 . . . . 196 Leu HD11 . 25485 1 2238 . 1 1 196 196 LEU HD12 H 1 0.697 0.031 . 1 . . . . 196 Leu HD12 . 25485 1 2239 . 1 1 196 196 LEU HD13 H 1 0.697 0.031 . 1 . . . . 196 Leu HD13 . 25485 1 2240 . 1 1 196 196 LEU HD21 H 1 0.771 0.036 . 1 . . . . 196 Leu HD21 . 25485 1 2241 . 1 1 196 196 LEU HD22 H 1 0.771 0.036 . 1 . . . . 196 Leu HD22 . 25485 1 2242 . 1 1 196 196 LEU HD23 H 1 0.771 0.036 . 1 . . . . 196 Leu HD23 . 25485 1 2243 . 1 1 196 196 LEU C C 13 177.946 0.005 . 1 . . . . 196 Leu C . 25485 1 2244 . 1 1 196 196 LEU CA C 13 56.219 0.083 . 1 . . . . 196 Leu CA . 25485 1 2245 . 1 1 196 196 LEU CB C 13 39.764 0.091 . 1 . . . . 196 Leu CB . 25485 1 2246 . 1 1 196 196 LEU CG C 13 27.686 0.154 . 1 . . . . 196 Leu CG . 25485 1 2247 . 1 1 196 196 LEU CD1 C 13 25.814 0.103 . 1 . . . . 196 Leu CD1 . 25485 1 2248 . 1 1 196 196 LEU CD2 C 13 22.233 0.164 . 1 . . . . 196 Leu CD2 . 25485 1 2249 . 1 1 196 196 LEU N N 15 114.899 0.091 . 1 . . . . 196 Leu N . 25485 1 2250 . 1 1 197 197 GLY H H 1 7.546 0.019 . 1 . . . . 197 Gly H . 25485 1 2251 . 1 1 197 197 GLY HA2 H 1 2.290 0.026 . 1 . . . . 197 Gly HA2 . 25485 1 2252 . 1 1 197 197 GLY HA3 H 1 3.656 0.021 . 1 . . . . 197 Gly HA3 . 25485 1 2253 . 1 1 197 197 GLY C C 13 178.643 0.006 . 1 . . . . 197 Gly C . 25485 1 2254 . 1 1 197 197 GLY CA C 13 47.568 0.097 . 1 . . . . 197 Gly CA . 25485 1 2255 . 1 1 197 197 GLY N N 15 107.901 0.113 . 1 . . . . 197 Gly N . 25485 1 2256 . 1 1 198 198 HIS H H 1 7.196 0.034 . 1 . . . . 198 His H . 25485 1 2257 . 1 1 198 198 HIS HA H 1 4.857 0.024 . 1 . . . . 198 His HA . 25485 1 2258 . 1 1 198 198 HIS HB2 H 1 2.532 0.016 . 2 . . . . 198 His HB2 . 25485 1 2259 . 1 1 198 198 HIS HB3 H 1 3.800 0.034 . 2 . . . . 198 His HB3 . 25485 1 2260 . 1 1 198 198 HIS HD2 H 1 7.009 0.006 . 1 . . . . 198 His HD2 . 25485 1 2261 . 1 1 198 198 HIS HE1 H 1 6.973 0.043 . 1 . . . . 198 His HE1 . 25485 1 2262 . 1 1 198 198 HIS C C 13 179.877 0.010 . 1 . . . . 198 His C . 25485 1 2263 . 1 1 198 198 HIS CA C 13 58.525 0.098 . 1 . . . . 198 His CA . 25485 1 2264 . 1 1 198 198 HIS CB C 13 27.534 0.049 . 1 . . . . 198 His CB . 25485 1 2265 . 1 1 198 198 HIS CD2 C 13 127.332 0.167 . 1 . . . . 198 His CD2 . 25485 1 2266 . 1 1 198 198 HIS CE1 C 13 138.307 0.043 . 1 . . . . 198 His CE1 . 25485 1 2267 . 1 1 198 198 HIS N N 15 122.017 0.073 . 1 . . . . 198 His N . 25485 1 2268 . 1 1 199 199 SER H H 1 7.885 0.020 . 1 . . . . 199 Ser H . 25485 1 2269 . 1 1 199 199 SER HA H 1 4.490 0.006 . 1 . . . . 199 Ser HA . 25485 1 2270 . 1 1 199 199 SER HB2 H 1 3.797 0.031 . 2 . . . . 199 Ser HB2 . 25485 1 2271 . 1 1 199 199 SER HB3 H 1 3.803 0.030 . 2 . . . . 199 Ser HB3 . 25485 1 2272 . 1 1 199 199 SER C C 13 174.493 0.000 . 1 . . . . 199 Ser C . 25485 1 2273 . 1 1 199 199 SER CA C 13 58.181 0.024 . 1 . . . . 199 Ser CA . 25485 1 2274 . 1 1 199 199 SER CB C 13 63.625 0.087 . 1 . . . . 199 Ser CB . 25485 1 2275 . 1 1 199 199 SER N N 15 118.486 0.090 . 1 . . . . 199 Ser N . 25485 1 2276 . 1 1 200 200 LEU H H 1 7.108 0.027 . 1 . . . . 200 Leu H . 25485 1 2277 . 1 1 200 200 LEU HB2 H 1 1.551 0.031 . 2 . . . . 200 Leu HB2 . 25485 1 2278 . 1 1 200 200 LEU HB3 H 1 1.650 0.024 . 2 . . . . 200 Leu HB3 . 25485 1 2279 . 1 1 200 200 LEU HG H 1 0.497 0.024 . 1 . . . . 200 Leu HG . 25485 1 2280 . 1 1 200 200 LEU HD11 H 1 0.493 0.033 . 1 . . . . 200 Leu HD11 . 25485 1 2281 . 1 1 200 200 LEU HD12 H 1 0.493 0.033 . 1 . . . . 200 Leu HD12 . 25485 1 2282 . 1 1 200 200 LEU HD13 H 1 0.493 0.033 . 1 . . . . 200 Leu HD13 . 25485 1 2283 . 1 1 200 200 LEU HD21 H 1 0.886 0.030 . 1 . . . . 200 Leu HD21 . 25485 1 2284 . 1 1 200 200 LEU HD22 H 1 0.886 0.030 . 1 . . . . 200 Leu HD22 . 25485 1 2285 . 1 1 200 200 LEU HD23 H 1 0.886 0.030 . 1 . . . . 200 Leu HD23 . 25485 1 2286 . 1 1 200 200 LEU C C 13 177.717 0.020 . 1 . . . . 200 Leu C . 25485 1 2287 . 1 1 200 200 LEU CA C 13 54.818 0.111 . 1 . . . . 200 Leu CA . 25485 1 2288 . 1 1 200 200 LEU CB C 13 42.416 0.094 . 1 . . . . 200 Leu CB . 25485 1 2289 . 1 1 200 200 LEU CG C 13 24.972 0.042 . 1 . . . . 200 Leu CG . 25485 1 2290 . 1 1 200 200 LEU CD1 C 13 24.965 0.112 . 1 . . . . 200 Leu CD1 . 25485 1 2291 . 1 1 200 200 LEU CD2 C 13 22.452 0.063 . 1 . . . . 200 Leu CD2 . 25485 1 2292 . 1 1 200 200 LEU N N 15 114.686 0.073 . 1 . . . . 200 Leu N . 25485 1 2293 . 1 1 201 201 GLY H H 1 8.195 0.016 . 1 . . . . 201 Gly H . 25485 1 2294 . 1 1 201 201 GLY HA2 H 1 3.347 0.014 . 1 . . . . 201 Gly HA2 . 25485 1 2295 . 1 1 201 201 GLY HA3 H 1 3.347 0.014 . 1 . . . . 201 Gly HA3 . 25485 1 2296 . 1 1 201 201 GLY C C 13 174.013 0.031 . 1 . . . . 201 Gly C . 25485 1 2297 . 1 1 201 201 GLY CA C 13 44.412 0.034 . 1 . . . . 201 Gly CA . 25485 1 2298 . 1 1 201 201 GLY N N 15 108.363 0.081 . 1 . . . . 201 Gly N . 25485 1 2299 . 1 1 202 202 MET H H 1 8.182 0.028 . 1 . . . . 202 Met H . 25485 1 2300 . 1 1 202 202 MET HA H 1 4.473 0.038 . 1 . . . . 202 Met HA . 25485 1 2301 . 1 1 202 202 MET HB2 H 1 1.874 0.024 . 2 . . . . 202 Met HB2 . 25485 1 2302 . 1 1 202 202 MET HB3 H 1 1.875 0.024 . 2 . . . . 202 Met HB3 . 25485 1 2303 . 1 1 202 202 MET HE1 H 1 2.488 0.014 . 1 . . . . 202 Met HE1 . 25485 1 2304 . 1 1 202 202 MET HE2 H 1 2.488 0.014 . 1 . . . . 202 Met HE2 . 25485 1 2305 . 1 1 202 202 MET HE3 H 1 2.488 0.014 . 1 . . . . 202 Met HE3 . 25485 1 2306 . 1 1 202 202 MET C C 13 176.591 0.015 . 1 . . . . 202 Met C . 25485 1 2307 . 1 1 202 202 MET CA C 13 54.421 0.042 . 1 . . . . 202 Met CA . 25485 1 2308 . 1 1 202 202 MET CB C 13 32.176 0.060 . 1 . . . . 202 Met CB . 25485 1 2309 . 1 1 202 202 MET CE C 13 18.933 0.076 . 1 . . . . 202 Met CE . 25485 1 2310 . 1 1 202 202 MET N N 15 119.635 0.142 . 1 . . . . 202 Met N . 25485 1 2311 . 1 1 203 203 GLY H H 1 8.405 0.024 . 1 . . . . 203 Gly H . 25485 1 2312 . 1 1 203 203 GLY HA2 H 1 3.711 0.022 . 1 . . . . 203 Gly HA2 . 25485 1 2313 . 1 1 203 203 GLY HA3 H 1 4.548 0.045 . 1 . . . . 203 Gly HA3 . 25485 1 2314 . 1 1 203 203 GLY C C 13 174.041 0.004 . 1 . . . . 203 Gly C . 25485 1 2315 . 1 1 203 203 GLY CA C 13 42.970 0.027 . 1 . . . . 203 Gly CA . 25485 1 2316 . 1 1 203 203 GLY N N 15 109.749 0.032 . 1 . . . . 203 Gly N . 25485 1 2317 . 1 1 204 204 HIS H H 1 8.364 0.023 . 1 . . . . 204 His H . 25485 1 2318 . 1 1 204 204 HIS HA H 1 5.400 0.030 . 1 . . . . 204 His HA . 25485 1 2319 . 1 1 204 204 HIS HB2 H 1 3.146 0.047 . 2 . . . . 204 His HB2 . 25485 1 2320 . 1 1 204 204 HIS HB3 H 1 3.212 0.000 . 2 . . . . 204 His HB3 . 25485 1 2321 . 1 1 204 204 HIS HD2 H 1 6.967 0.026 . 1 . . . . 204 His HD2 . 25485 1 2322 . 1 1 204 204 HIS HE1 H 1 7.639 0.012 . 1 . . . . 204 His HE1 . 25485 1 2323 . 1 1 204 204 HIS C C 13 174.430 0.002 . 1 . . . . 204 His C . 25485 1 2324 . 1 1 204 204 HIS CA C 13 54.834 0.046 . 1 . . . . 204 His CA . 25485 1 2325 . 1 1 204 204 HIS CB C 13 29.843 0.104 . 1 . . . . 204 His CB . 25485 1 2326 . 1 1 204 204 HIS CD2 C 13 125.263 0.016 . 1 . . . . 204 His CD2 . 25485 1 2327 . 1 1 204 204 HIS CE1 C 13 138.052 0.000 . 1 . . . . 204 His CE1 . 25485 1 2328 . 1 1 204 204 HIS N N 15 115.732 0.022 . 1 . . . . 204 His N . 25485 1 2329 . 1 1 205 205 SER H H 1 7.231 0.028 . 1 . . . . 205 Ser H . 25485 1 2330 . 1 1 205 205 SER HA H 1 4.766 0.000 . 1 . . . . 205 Ser HA . 25485 1 2331 . 1 1 205 205 SER HB2 H 1 3.268 0.024 . 2 . . . . 205 Ser HB2 . 25485 1 2332 . 1 1 205 205 SER HB3 H 1 4.205 0.018 . 2 . . . . 205 Ser HB3 . 25485 1 2333 . 1 1 205 205 SER C C 13 173.601 0.038 . 1 . . . . 205 Ser C . 25485 1 2334 . 1 1 205 205 SER CA C 13 54.725 0.188 . 1 . . . . 205 Ser CA . 25485 1 2335 . 1 1 205 205 SER CB C 13 65.867 0.081 . 1 . . . . 205 Ser CB . 25485 1 2336 . 1 1 205 205 SER N N 15 115.484 0.090 . 1 . . . . 205 Ser N . 25485 1 2337 . 1 1 206 206 SER H H 1 8.289 0.031 . 1 . . . . 206 Ser H . 25485 1 2338 . 1 1 206 206 SER HA H 1 3.701 0.024 . 1 . . . . 206 Ser HA . 25485 1 2339 . 1 1 206 206 SER HB2 H 1 3.222 0.011 . 2 . . . . 206 Ser HB2 . 25485 1 2340 . 1 1 206 206 SER HB3 H 1 3.220 0.011 . 2 . . . . 206 Ser HB3 . 25485 1 2341 . 1 1 206 206 SER C C 13 173.635 0.002 . 1 . . . . 206 Ser C . 25485 1 2342 . 1 1 206 206 SER CA C 13 63.822 0.053 . 1 . . . . 206 Ser CA . 25485 1 2343 . 1 1 206 206 SER CB C 13 63.829 0.070 . 1 . . . . 206 Ser CB . 25485 1 2344 . 1 1 206 206 SER N N 15 119.263 0.078 . 1 . . . . 206 Ser N . 25485 1 2345 . 1 1 207 207 ASP H H 1 8.541 0.017 . 1 . . . . 207 Asp H . 25485 1 2346 . 1 1 207 207 ASP HA H 1 4.929 0.000 . 1 . . . . 207 Asp HA . 25485 1 2347 . 1 1 207 207 ASP HB2 H 1 2.374 0.000 . 2 . . . . 207 Asp HB2 . 25485 1 2348 . 1 1 207 207 ASP HB3 H 1 2.374 0.000 . 2 . . . . 207 Asp HB3 . 25485 1 2349 . 1 1 207 207 ASP C C 13 174.614 0.000 . 1 . . . . 207 Asp C . 25485 1 2350 . 1 1 207 207 ASP CA C 13 51.262 0.063 . 1 . . . . 207 Asp CA . 25485 1 2351 . 1 1 207 207 ASP CB C 13 41.331 0.091 . 1 . . . . 207 Asp CB . 25485 1 2352 . 1 1 207 207 ASP N N 15 126.646 0.128 . 1 . . . . 207 Asp N . 25485 1 2353 . 1 1 208 208 PRO HA H 1 3.787 0.000 . 1 . . . . 208 Pro HA . 25485 1 2354 . 1 1 208 208 PRO C C 13 177.467 0.001 . 1 . . . . 208 Pro C . 25485 1 2355 . 1 1 208 208 PRO CA C 13 62.836 0.000 . 1 . . . . 208 Pro CA . 25485 1 2356 . 1 1 208 208 PRO CB C 13 31.596 0.005 . 1 . . . . 208 Pro CB . 25485 1 2357 . 1 1 209 209 ASN H H 1 8.350 0.040 . 1 . . . . 209 Asn H . 25485 1 2358 . 1 1 209 209 ASN HA H 1 4.641 0.000 . 1 . . . . 209 Asn HA . 25485 1 2359 . 1 1 209 209 ASN HB2 H 1 2.736 0.054 . 2 . . . . 209 Asn HB2 . 25485 1 2360 . 1 1 209 209 ASN HB3 H 1 2.736 0.054 . 2 . . . . 209 Asn HB3 . 25485 1 2361 . 1 1 209 209 ASN HD21 H 1 6.907 0.005 . 1 . . . . 209 Asn HD21 . 25485 1 2362 . 1 1 209 209 ASN HD22 H 1 7.904 0.006 . 1 . . . . 209 Asn HD22 . 25485 1 2363 . 1 1 209 209 ASN C C 13 174.691 0.017 . 1 . . . . 209 Asn C . 25485 1 2364 . 1 1 209 209 ASN CA C 13 53.220 0.129 . 1 . . . . 209 Asn CA . 25485 1 2365 . 1 1 209 209 ASN CB C 13 38.902 0.091 . 1 . . . . 209 Asn CB . 25485 1 2366 . 1 1 209 209 ASN CG C 13 177.573 0.000 . 1 . . . . 209 Asn CG . 25485 1 2367 . 1 1 209 209 ASN N N 15 116.020 0.088 . 1 . . . . 209 Asn N . 25485 1 2368 . 1 1 209 209 ASN ND2 N 15 115.838 0.077 . 1 . . . . 209 Asn ND2 . 25485 1 2369 . 1 1 210 210 ALA H H 1 8.193 0.032 . 1 . . . . 210 Ala H . 25485 1 2370 . 1 1 210 210 ALA HA H 1 4.095 0.021 . 1 . . . . 210 Ala HA . 25485 1 2371 . 1 1 210 210 ALA HB1 H 1 1.781 0.023 . 1 . . . . 210 Ala HB1 . 25485 1 2372 . 1 1 210 210 ALA HB2 H 1 1.781 0.023 . 1 . . . . 210 Ala HB2 . 25485 1 2373 . 1 1 210 210 ALA HB3 H 1 1.781 0.023 . 1 . . . . 210 Ala HB3 . 25485 1 2374 . 1 1 210 210 ALA C C 13 179.495 0.000 . 1 . . . . 210 Ala C . 25485 1 2375 . 1 1 210 210 ALA CA C 13 52.054 0.093 . 1 . . . . 210 Ala CA . 25485 1 2376 . 1 1 210 210 ALA CB C 13 19.202 0.062 . 1 . . . . 210 Ala CB . 25485 1 2377 . 1 1 210 210 ALA N N 15 124.892 0.090 . 1 . . . . 210 Ala N . 25485 1 2378 . 1 1 211 211 VAL H H 1 11.592 0.024 . 1 . . . . 211 Val H . 25485 1 2379 . 1 1 211 211 VAL HA H 1 4.263 0.011 . 1 . . . . 211 Val HA . 25485 1 2380 . 1 1 211 211 VAL HB H 1 1.916 0.031 . 1 . . . . 211 Val HB . 25485 1 2381 . 1 1 211 211 VAL HG11 H 1 0.789 0.034 . 1 . . . . 211 Val HG11 . 25485 1 2382 . 1 1 211 211 VAL HG12 H 1 0.789 0.034 . 1 . . . . 211 Val HG12 . 25485 1 2383 . 1 1 211 211 VAL HG13 H 1 0.789 0.034 . 1 . . . . 211 Val HG13 . 25485 1 2384 . 1 1 211 211 VAL HG21 H 1 0.891 0.031 . 1 . . . . 211 Val HG21 . 25485 1 2385 . 1 1 211 211 VAL HG22 H 1 0.891 0.031 . 1 . . . . 211 Val HG22 . 25485 1 2386 . 1 1 211 211 VAL HG23 H 1 0.891 0.031 . 1 . . . . 211 Val HG23 . 25485 1 2387 . 1 1 211 211 VAL C C 13 179.417 0.029 . 1 . . . . 211 Val C . 25485 1 2388 . 1 1 211 211 VAL CA C 13 65.019 0.025 . 1 . . . . 211 Val CA . 25485 1 2389 . 1 1 211 211 VAL CB C 13 30.967 0.073 . 1 . . . . 211 Val CB . 25485 1 2390 . 1 1 211 211 VAL CG1 C 13 21.258 0.080 . 1 . . . . 211 Val CG1 . 25485 1 2391 . 1 1 211 211 VAL CG2 C 13 24.134 0.018 . 1 . . . . 211 Val CG2 . 25485 1 2392 . 1 1 211 211 VAL N N 15 130.402 0.062 . 1 . . . . 211 Val N . 25485 1 2393 . 1 1 212 212 MET H H 1 7.724 0.036 . 1 . . . . 212 Met H . 25485 1 2394 . 1 1 212 212 MET C C 13 176.995 0.004 . 1 . . . . 212 Met C . 25485 1 2395 . 1 1 212 212 MET CA C 13 53.626 0.047 . 1 . . . . 212 Met CA . 25485 1 2396 . 1 1 212 212 MET CB C 13 26.971 0.016 . 1 . . . . 212 Met CB . 25485 1 2397 . 1 1 212 212 MET N N 15 113.285 0.100 . 1 . . . . 212 Met N . 25485 1 2398 . 1 1 213 213 TYR H H 1 7.902 0.029 . 1 . . . . 213 Tyr H . 25485 1 2399 . 1 1 213 213 TYR HA H 1 5.696 0.013 . 1 . . . . 213 Tyr HA . 25485 1 2400 . 1 1 213 213 TYR HB2 H 1 3.021 0.045 . 2 . . . . 213 Tyr HB2 . 25485 1 2401 . 1 1 213 213 TYR HB3 H 1 3.839 0.028 . 2 . . . . 213 Tyr HB3 . 25485 1 2402 . 1 1 213 213 TYR HD1 H 1 7.391 0.015 . 1 . . . . 213 Tyr HD1 . 25485 1 2403 . 1 1 213 213 TYR HD2 H 1 7.391 0.015 . 1 . . . . 213 Tyr HD2 . 25485 1 2404 . 1 1 213 213 TYR HE1 H 1 6.899 0.017 . 1 . . . . 213 Tyr HE1 . 25485 1 2405 . 1 1 213 213 TYR HE2 H 1 6.899 0.017 . 1 . . . . 213 Tyr HE2 . 25485 1 2406 . 1 1 213 213 TYR C C 13 178.411 0.000 . 1 . . . . 213 Tyr C . 25485 1 2407 . 1 1 213 213 TYR CA C 13 57.120 0.095 . 1 . . . . 213 Tyr CA . 25485 1 2408 . 1 1 213 213 TYR CB C 13 39.185 0.117 . 1 . . . . 213 Tyr CB . 25485 1 2409 . 1 1 213 213 TYR CD1 C 13 134.741 0.010 . 1 . . . . 213 Tyr CD1 . 25485 1 2410 . 1 1 213 213 TYR CD2 C 13 134.741 0.010 . 1 . . . . 213 Tyr CD2 . 25485 1 2411 . 1 1 213 213 TYR CE1 C 13 118.290 0.003 . 1 . . . . 213 Tyr CE1 . 25485 1 2412 . 1 1 213 213 TYR CE2 C 13 118.290 0.003 . 1 . . . . 213 Tyr CE2 . 25485 1 2413 . 1 1 213 213 TYR N N 15 129.899 0.245 . 1 . . . . 213 Tyr N . 25485 1 2414 . 1 1 214 214 PRO HA H 1 3.475 0.009 . 1 . . . . 214 Pro HA . 25485 1 2415 . 1 1 214 214 PRO HB2 H 1 1.510 0.018 . 2 . . . . 214 Pro HB2 . 25485 1 2416 . 1 1 214 214 PRO HB3 H 1 1.513 0.017 . 2 . . . . 214 Pro HB3 . 25485 1 2417 . 1 1 214 214 PRO HG2 H 1 1.586 0.041 . 2 . . . . 214 Pro HG2 . 25485 1 2418 . 1 1 214 214 PRO HG3 H 1 1.700 0.031 . 2 . . . . 214 Pro HG3 . 25485 1 2419 . 1 1 214 214 PRO HD2 H 1 2.871 0.015 . 2 . . . . 214 Pro HD2 . 25485 1 2420 . 1 1 214 214 PRO HD3 H 1 2.871 0.015 . 2 . . . . 214 Pro HD3 . 25485 1 2421 . 1 1 214 214 PRO C C 13 177.692 0.008 . 1 . . . . 214 Pro C . 25485 1 2422 . 1 1 214 214 PRO CA C 13 65.997 0.050 . 1 . . . . 214 Pro CA . 25485 1 2423 . 1 1 214 214 PRO CB C 13 32.738 0.068 . 1 . . . . 214 Pro CB . 25485 1 2424 . 1 1 214 214 PRO CG C 13 28.418 0.000 . 1 . . . . 214 Pro CG . 25485 1 2425 . 1 1 214 214 PRO CD C 13 50.752 0.103 . 1 . . . . 214 Pro CD . 25485 1 2426 . 1 1 215 215 THR H H 1 6.407 0.022 . 1 . . . . 215 Thr H . 25485 1 2427 . 1 1 215 215 THR HA H 1 4.444 0.034 . 1 . . . . 215 Thr HA . 25485 1 2428 . 1 1 215 215 THR HB H 1 4.370 0.031 . 1 . . . . 215 Thr HB . 25485 1 2429 . 1 1 215 215 THR HG21 H 1 1.209 0.031 . 1 . . . . 215 Thr HG21 . 25485 1 2430 . 1 1 215 215 THR HG22 H 1 1.209 0.031 . 1 . . . . 215 Thr HG22 . 25485 1 2431 . 1 1 215 215 THR HG23 H 1 1.209 0.031 . 1 . . . . 215 Thr HG23 . 25485 1 2432 . 1 1 215 215 THR C C 13 173.440 0.064 . 1 . . . . 215 Thr C . 25485 1 2433 . 1 1 215 215 THR CA C 13 60.495 0.025 . 1 . . . . 215 Thr CA . 25485 1 2434 . 1 1 215 215 THR CB C 13 69.581 0.167 . 1 . . . . 215 Thr CB . 25485 1 2435 . 1 1 215 215 THR CG2 C 13 22.732 0.133 . 1 . . . . 215 Thr CG2 . 25485 1 2436 . 1 1 215 215 THR N N 15 104.450 0.134 . 1 . . . . 215 Thr N . 25485 1 2437 . 1 1 216 216 TYR H H 1 8.331 0.016 . 1 . . . . 216 Tyr H . 25485 1 2438 . 1 1 216 216 TYR HA H 1 4.232 0.002 . 1 . . . . 216 Tyr HA . 25485 1 2439 . 1 1 216 216 TYR HB2 H 1 2.701 0.024 . 2 . . . . 216 Tyr HB2 . 25485 1 2440 . 1 1 216 216 TYR HB3 H 1 3.013 0.028 . 2 . . . . 216 Tyr HB3 . 25485 1 2441 . 1 1 216 216 TYR HD1 H 1 6.900 0.013 . 1 . . . . 216 Tyr HD1 . 25485 1 2442 . 1 1 216 216 TYR HD2 H 1 6.900 0.013 . 1 . . . . 216 Tyr HD2 . 25485 1 2443 . 1 1 216 216 TYR C C 13 175.669 0.023 . 1 . . . . 216 Tyr C . 25485 1 2444 . 1 1 216 216 TYR CA C 13 58.606 0.069 . 1 . . . . 216 Tyr CA . 25485 1 2445 . 1 1 216 216 TYR CB C 13 40.867 0.086 . 1 . . . . 216 Tyr CB . 25485 1 2446 . 1 1 216 216 TYR CD1 C 13 132.773 0.074 . 1 . . . . 216 Tyr CD1 . 25485 1 2447 . 1 1 216 216 TYR CD2 C 13 132.773 0.074 . 1 . . . . 216 Tyr CD2 . 25485 1 2448 . 1 1 216 216 TYR N N 15 124.618 0.154 . 1 . . . . 216 Tyr N . 25485 1 2449 . 1 1 217 217 GLY H H 1 7.695 0.009 . 1 . . . . 217 Gly H . 25485 1 2450 . 1 1 217 217 GLY HA2 H 1 3.338 0.020 . 1 . . . . 217 Gly HA2 . 25485 1 2451 . 1 1 217 217 GLY HA3 H 1 4.011 0.016 . 1 . . . . 217 Gly HA3 . 25485 1 2452 . 1 1 217 217 GLY C C 13 173.553 0.031 . 1 . . . . 217 Gly C . 25485 1 2453 . 1 1 217 217 GLY CA C 13 45.289 0.082 . 1 . . . . 217 Gly CA . 25485 1 2454 . 1 1 217 217 GLY N N 15 116.089 0.000 . 1 . . . . 217 Gly N . 25485 1 2455 . 1 1 218 218 ASN H H 1 8.237 0.012 . 1 . . . . 218 Asn H . 25485 1 2456 . 1 1 218 218 ASN HA H 1 4.666 0.010 . 1 . . . . 218 Asn HA . 25485 1 2457 . 1 1 218 218 ASN HB2 H 1 2.949 0.002 . 2 . . . . 218 Asn HB2 . 25485 1 2458 . 1 1 218 218 ASN HB3 H 1 2.949 0.001 . 2 . . . . 218 Asn HB3 . 25485 1 2459 . 1 1 218 218 ASN C C 13 175.339 0.027 . 1 . . . . 218 Asn C . 25485 1 2460 . 1 1 218 218 ASN CA C 13 53.616 0.137 . 1 . . . . 218 Asn CA . 25485 1 2461 . 1 1 218 218 ASN CB C 13 38.573 0.033 . 1 . . . . 218 Asn CB . 25485 1 2462 . 1 1 218 218 ASN N N 15 120.167 0.000 . 1 . . . . 218 Asn N . 25485 1 2463 . 1 1 219 219 GLY H H 1 8.027 0.020 . 1 . . . . 219 Gly H . 25485 1 2464 . 1 1 219 219 GLY HA2 H 1 3.661 0.001 . 1 . . . . 219 Gly HA2 . 25485 1 2465 . 1 1 219 219 GLY HA3 H 1 4.001 0.010 . 1 . . . . 219 Gly HA3 . 25485 1 2466 . 1 1 219 219 GLY C C 13 172.842 0.000 . 1 . . . . 219 Gly C . 25485 1 2467 . 1 1 219 219 GLY CA C 13 44.732 0.068 . 1 . . . . 219 Gly CA . 25485 1 2468 . 1 1 219 219 GLY N N 15 109.322 0.000 . 1 . . . . 219 Gly N . 25485 1 2469 . 1 1 220 220 ASP H H 1 8.273 0.000 . 1 . . . . 220 Asp H . 25485 1 2470 . 1 1 220 220 ASP N N 15 123.006 0.000 . 1 . . . . 220 Asp N . 25485 1 2471 . 1 1 221 221 PRO HB2 H 1 2.298 0.000 . 2 . . . . 221 Pro HB2 . 25485 1 2472 . 1 1 221 221 PRO C C 13 177.138 0.000 . 1 . . . . 221 Pro C . 25485 1 2473 . 1 1 221 221 PRO CA C 13 57.063 0.000 . 1 . . . . 221 Pro CA . 25485 1 2474 . 1 1 221 221 PRO CB C 13 31.694 0.050 . 1 . . . . 221 Pro CB . 25485 1 2475 . 1 1 222 222 GLN H H 1 8.240 0.023 . 1 . . . . 222 Gln H . 25485 1 2476 . 1 1 222 222 GLN HA H 1 4.336 0.017 . 1 . . . . 222 Gln HA . 25485 1 2477 . 1 1 222 222 GLN HB2 H 1 2.092 0.028 . 2 . . . . 222 Gln HB2 . 25485 1 2478 . 1 1 222 222 GLN HB3 H 1 2.154 0.008 . 2 . . . . 222 Gln HB3 . 25485 1 2479 . 1 1 222 222 GLN HG2 H 1 2.314 0.008 . 2 . . . . 222 Gln HG2 . 25485 1 2480 . 1 1 222 222 GLN HG3 H 1 2.314 0.008 . 2 . . . . 222 Gln HG3 . 25485 1 2481 . 1 1 222 222 GLN C C 13 176.321 0.066 . 1 . . . . 222 Gln C . 25485 1 2482 . 1 1 222 222 GLN CA C 13 57.179 0.038 . 1 . . . . 222 Gln CA . 25485 1 2483 . 1 1 222 222 GLN CB C 13 29.476 0.101 . 1 . . . . 222 Gln CB . 25485 1 2484 . 1 1 222 222 GLN CG C 13 36.542 0.006 . 1 . . . . 222 Gln CG . 25485 1 2485 . 1 1 222 222 GLN CD C 13 180.291 0.000 . 1 . . . . 222 Gln CD . 25485 1 2486 . 1 1 222 222 GLN N N 15 116.718 0.001 . 1 . . . . 222 Gln N . 25485 1 2487 . 1 1 223 223 ASN H H 1 7.946 0.017 . 1 . . . . 223 Asn H . 25485 1 2488 . 1 1 223 223 ASN HA H 1 4.916 0.000 . 1 . . . . 223 Asn HA . 25485 1 2489 . 1 1 223 223 ASN HB2 H 1 2.731 0.037 . 2 . . . . 223 Asn HB2 . 25485 1 2490 . 1 1 223 223 ASN HB3 H 1 2.767 0.006 . 2 . . . . 223 Asn HB3 . 25485 1 2491 . 1 1 223 223 ASN C C 13 173.286 0.058 . 1 . . . . 223 Asn C . 25485 1 2492 . 1 1 223 223 ASN CA C 13 52.588 0.117 . 1 . . . . 223 Asn CA . 25485 1 2493 . 1 1 223 223 ASN CB C 13 39.247 0.081 . 1 . . . . 223 Asn CB . 25485 1 2494 . 1 1 223 223 ASN N N 15 118.368 0.077 . 1 . . . . 223 Asn N . 25485 1 2495 . 1 1 224 224 PHE H H 1 6.992 0.000 . 1 . . . . 224 Phe H . 25485 1 2496 . 1 1 224 224 PHE HA H 1 4.451 0.028 . 1 . . . . 224 Phe HA . 25485 1 2497 . 1 1 224 224 PHE HB2 H 1 3.068 0.021 . 2 . . . . 224 Phe HB2 . 25485 1 2498 . 1 1 224 224 PHE HB3 H 1 3.438 0.011 . 2 . . . . 224 Phe HB3 . 25485 1 2499 . 1 1 224 224 PHE HE1 H 1 7.183 0.024 . 1 . . . . 224 Phe HE1 . 25485 1 2500 . 1 1 224 224 PHE HE2 H 1 7.183 0.024 . 1 . . . . 224 Phe HE2 . 25485 1 2501 . 1 1 224 224 PHE C C 13 172.897 0.000 . 1 . . . . 224 Phe C . 25485 1 2502 . 1 1 224 224 PHE CA C 13 58.015 0.457 . 1 . . . . 224 Phe CA . 25485 1 2503 . 1 1 224 224 PHE CB C 13 39.710 0.083 . 1 . . . . 224 Phe CB . 25485 1 2504 . 1 1 224 224 PHE CE1 C 13 131.021 0.013 . 1 . . . . 224 Phe CE1 . 25485 1 2505 . 1 1 224 224 PHE CE2 C 13 131.021 0.013 . 1 . . . . 224 Phe CE2 . 25485 1 2506 . 1 1 224 224 PHE N N 15 118.429 0.000 . 1 . . . . 224 Phe N . 25485 1 2507 . 1 1 225 225 LYS H H 1 7.710 0.018 . 1 . . . . 225 Lys H . 25485 1 2508 . 1 1 225 225 LYS HA H 1 4.430 0.000 . 1 . . . . 225 Lys HA . 25485 1 2509 . 1 1 225 225 LYS HB2 H 1 1.785 0.024 . 2 . . . . 225 Lys HB2 . 25485 1 2510 . 1 1 225 225 LYS HB3 H 1 1.786 0.022 . 2 . . . . 225 Lys HB3 . 25485 1 2511 . 1 1 225 225 LYS HG2 H 1 1.208 0.000 . 2 . . . . 225 Lys HG2 . 25485 1 2512 . 1 1 225 225 LYS HG3 H 1 1.208 0.000 . 2 . . . . 225 Lys HG3 . 25485 1 2513 . 1 1 225 225 LYS HD2 H 1 1.592 0.027 . 2 . . . . 225 Lys HD2 . 25485 1 2514 . 1 1 225 225 LYS HD3 H 1 1.592 0.027 . 2 . . . . 225 Lys HD3 . 25485 1 2515 . 1 1 225 225 LYS HE2 H 1 2.958 0.006 . 2 . . . . 225 Lys HE2 . 25485 1 2516 . 1 1 225 225 LYS HE3 H 1 2.958 0.006 . 2 . . . . 225 Lys HE3 . 25485 1 2517 . 1 1 225 225 LYS C C 13 174.662 0.025 . 1 . . . . 225 Lys C . 25485 1 2518 . 1 1 225 225 LYS CA C 13 54.308 0.248 . 1 . . . . 225 Lys CA . 25485 1 2519 . 1 1 225 225 LYS CB C 13 34.681 0.151 . 1 . . . . 225 Lys CB . 25485 1 2520 . 1 1 225 225 LYS CG C 13 22.221 0.000 . 1 . . . . 225 Lys CG . 25485 1 2521 . 1 1 225 225 LYS CD C 13 29.161 0.051 . 1 . . . . 225 Lys CD . 25485 1 2522 . 1 1 225 225 LYS CE C 13 41.894 0.001 . 1 . . . . 225 Lys CE . 25485 1 2523 . 1 1 225 225 LYS N N 15 121.714 0.000 . 1 . . . . 225 Lys N . 25485 1 2524 . 1 1 226 226 LEU H H 1 8.014 0.029 . 1 . . . . 226 Leu H . 25485 1 2525 . 1 1 226 226 LEU HA H 1 4.140 0.041 . 1 . . . . 226 Leu HA . 25485 1 2526 . 1 1 226 226 LEU HB2 H 1 1.264 0.042 . 2 . . . . 226 Leu HB2 . 25485 1 2527 . 1 1 226 226 LEU HB3 H 1 1.554 0.025 . 2 . . . . 226 Leu HB3 . 25485 1 2528 . 1 1 226 226 LEU HD11 H 1 0.279 0.019 . 1 . . . . 226 Leu HD11 . 25485 1 2529 . 1 1 226 226 LEU HD12 H 1 0.279 0.019 . 1 . . . . 226 Leu HD12 . 25485 1 2530 . 1 1 226 226 LEU HD13 H 1 0.279 0.019 . 1 . . . . 226 Leu HD13 . 25485 1 2531 . 1 1 226 226 LEU HD21 H 1 -0.331 0.035 . 1 . . . . 226 Leu HD21 . 25485 1 2532 . 1 1 226 226 LEU HD22 H 1 -0.331 0.035 . 1 . . . . 226 Leu HD22 . 25485 1 2533 . 1 1 226 226 LEU HD23 H 1 -0.331 0.035 . 1 . . . . 226 Leu HD23 . 25485 1 2534 . 1 1 226 226 LEU C C 13 177.493 0.014 . 1 . . . . 226 Leu C . 25485 1 2535 . 1 1 226 226 LEU CA C 13 55.566 0.071 . 1 . . . . 226 Leu CA . 25485 1 2536 . 1 1 226 226 LEU CB C 13 41.087 0.209 . 1 . . . . 226 Leu CB . 25485 1 2537 . 1 1 226 226 LEU CD1 C 13 25.793 0.061 . 1 . . . . 226 Leu CD1 . 25485 1 2538 . 1 1 226 226 LEU CD2 C 13 20.450 0.055 . 1 . . . . 226 Leu CD2 . 25485 1 2539 . 1 1 226 226 LEU N N 15 119.026 0.011 . 1 . . . . 226 Leu N . 25485 1 2540 . 1 1 227 227 SER H H 1 9.654 0.010 . 1 . . . . 227 Ser H . 25485 1 2541 . 1 1 227 227 SER HA H 1 4.600 0.037 . 1 . . . . 227 Ser HA . 25485 1 2542 . 1 1 227 227 SER HB2 H 1 4.042 0.028 . 2 . . . . 227 Ser HB2 . 25485 1 2543 . 1 1 227 227 SER HB3 H 1 4.335 0.027 . 2 . . . . 227 Ser HB3 . 25485 1 2544 . 1 1 227 227 SER C C 13 175.492 0.000 . 1 . . . . 227 Ser C . 25485 1 2545 . 1 1 227 227 SER CA C 13 57.227 0.213 . 1 . . . . 227 Ser CA . 25485 1 2546 . 1 1 227 227 SER CB C 13 66.274 0.054 . 1 . . . . 227 Ser CB . 25485 1 2547 . 1 1 227 227 SER N N 15 120.320 0.050 . 1 . . . . 227 Ser N . 25485 1 2548 . 1 1 228 228 GLN H H 1 8.248 0.010 . 1 . . . . 228 Gln H . 25485 1 2549 . 1 1 228 228 GLN HA H 1 4.694 0.000 . 1 . . . . 228 Gln HA . 25485 1 2550 . 1 1 228 228 GLN HB2 H 1 2.765 0.000 . 2 . . . . 228 Gln HB2 . 25485 1 2551 . 1 1 228 228 GLN HB3 H 1 2.765 0.000 . 2 . . . . 228 Gln HB3 . 25485 1 2552 . 1 1 228 228 GLN N N 15 127.511 0.113 . 1 . . . . 228 Gln N . 25485 1 2553 . 1 1 229 229 ASP H H 1 8.138 0.043 . 1 . . . . 229 Asp H . 25485 1 2554 . 1 1 229 229 ASP HA H 1 4.374 0.000 . 1 . . . . 229 Asp HA . 25485 1 2555 . 1 1 229 229 ASP HB2 H 1 2.300 0.000 . 2 . . . . 229 Asp HB2 . 25485 1 2556 . 1 1 229 229 ASP HB3 H 1 2.529 0.000 . 2 . . . . 229 Asp HB3 . 25485 1 2557 . 1 1 229 229 ASP C C 13 178.794 0.005 . 1 . . . . 229 Asp C . 25485 1 2558 . 1 1 229 229 ASP CA C 13 58.135 0.022 . 1 . . . . 229 Asp CA . 25485 1 2559 . 1 1 229 229 ASP CB C 13 43.257 0.036 . 1 . . . . 229 Asp CB . 25485 1 2560 . 1 1 229 229 ASP N N 15 124.358 0.000 . 1 . . . . 229 Asp N . 25485 1 2561 . 1 1 230 230 ASP H H 1 7.393 0.022 . 1 . . . . 230 Asp H . 25485 1 2562 . 1 1 230 230 ASP HA H 1 4.422 0.018 . 1 . . . . 230 Asp HA . 25485 1 2563 . 1 1 230 230 ASP HB2 H 1 2.526 0.026 . 2 . . . . 230 Asp HB2 . 25485 1 2564 . 1 1 230 230 ASP HB3 H 1 2.825 0.026 . 2 . . . . 230 Asp HB3 . 25485 1 2565 . 1 1 230 230 ASP C C 13 177.736 0.000 . 1 . . . . 230 Asp C . 25485 1 2566 . 1 1 230 230 ASP CA C 13 57.896 0.036 . 1 . . . . 230 Asp CA . 25485 1 2567 . 1 1 230 230 ASP CB C 13 43.239 0.105 . 1 . . . . 230 Asp CB . 25485 1 2568 . 1 1 230 230 ASP N N 15 119.694 0.134 . 1 . . . . 230 Asp N . 25485 1 2569 . 1 1 231 231 ILE H H 1 8.115 0.030 . 1 . . . . 231 Ile H . 25485 1 2570 . 1 1 231 231 ILE HA H 1 3.665 0.025 . 1 . . . . 231 Ile HA . 25485 1 2571 . 1 1 231 231 ILE HB H 1 1.690 0.028 . 1 . . . . 231 Ile HB . 25485 1 2572 . 1 1 231 231 ILE HG12 H 1 0.719 0.024 . 2 . . . . 231 Ile HG12 . 25485 1 2573 . 1 1 231 231 ILE HG13 H 1 0.719 0.024 . 2 . . . . 231 Ile HG13 . 25485 1 2574 . 1 1 231 231 ILE HG21 H 1 0.846 0.027 . 1 . . . . 231 Ile HG21 . 25485 1 2575 . 1 1 231 231 ILE HG22 H 1 0.846 0.027 . 1 . . . . 231 Ile HG22 . 25485 1 2576 . 1 1 231 231 ILE HG23 H 1 0.846 0.027 . 1 . . . . 231 Ile HG23 . 25485 1 2577 . 1 1 231 231 ILE HD11 H 1 0.712 0.023 . 1 . . . . 231 Ile HD11 . 25485 1 2578 . 1 1 231 231 ILE HD12 H 1 0.712 0.023 . 1 . . . . 231 Ile HD12 . 25485 1 2579 . 1 1 231 231 ILE HD13 H 1 0.712 0.023 . 1 . . . . 231 Ile HD13 . 25485 1 2580 . 1 1 231 231 ILE C C 13 177.631 0.013 . 1 . . . . 231 Ile C . 25485 1 2581 . 1 1 231 231 ILE CA C 13 65.499 0.054 . 1 . . . . 231 Ile CA . 25485 1 2582 . 1 1 231 231 ILE CB C 13 38.498 0.067 . 1 . . . . 231 Ile CB . 25485 1 2583 . 1 1 231 231 ILE CG1 C 13 30.779 0.199 . 1 . . . . 231 Ile CG1 . 25485 1 2584 . 1 1 231 231 ILE CG2 C 13 16.911 0.091 . 1 . . . . 231 Ile CG2 . 25485 1 2585 . 1 1 231 231 ILE CD1 C 13 13.600 0.058 . 1 . . . . 231 Ile CD1 . 25485 1 2586 . 1 1 231 231 ILE N N 15 120.364 0.043 . 1 . . . . 231 Ile N . 25485 1 2587 . 1 1 232 232 LYS H H 1 8.607 0.036 . 1 . . . . 232 Lys H . 25485 1 2588 . 1 1 232 232 LYS HA H 1 4.114 0.024 . 1 . . . . 232 Lys HA . 25485 1 2589 . 1 1 232 232 LYS HB2 H 1 1.900 0.026 . 2 . . . . 232 Lys HB2 . 25485 1 2590 . 1 1 232 232 LYS HG2 H 1 1.506 0.024 . 2 . . . . 232 Lys HG2 . 25485 1 2591 . 1 1 232 232 LYS HG3 H 1 1.652 0.023 . 2 . . . . 232 Lys HG3 . 25485 1 2592 . 1 1 232 232 LYS HD2 H 1 1.766 0.000 . 2 . . . . 232 Lys HD2 . 25485 1 2593 . 1 1 232 232 LYS HD3 H 1 1.766 0.000 . 2 . . . . 232 Lys HD3 . 25485 1 2594 . 1 1 232 232 LYS HE2 H 1 2.966 0.000 . 2 . . . . 232 Lys HE2 . 25485 1 2595 . 1 1 232 232 LYS HE3 H 1 2.966 0.000 . 2 . . . . 232 Lys HE3 . 25485 1 2596 . 1 1 232 232 LYS C C 13 180.574 0.003 . 1 . . . . 232 Lys C . 25485 1 2597 . 1 1 232 232 LYS CA C 13 59.520 0.048 . 1 . . . . 232 Lys CA . 25485 1 2598 . 1 1 232 232 LYS CB C 13 31.813 0.083 . 1 . . . . 232 Lys CB . 25485 1 2599 . 1 1 232 232 LYS CG C 13 24.954 0.079 . 1 . . . . 232 Lys CG . 25485 1 2600 . 1 1 232 232 LYS CD C 13 29.225 0.000 . 1 . . . . 232 Lys CD . 25485 1 2601 . 1 1 232 232 LYS CE C 13 42.254 0.002 . 1 . . . . 232 Lys CE . 25485 1 2602 . 1 1 232 232 LYS N N 15 119.156 0.059 . 1 . . . . 232 Lys N . 25485 1 2603 . 1 1 233 233 GLY H H 1 8.075 0.028 . 1 . . . . 233 Gly H . 25485 1 2604 . 1 1 233 233 GLY HA2 H 1 3.920 0.023 . 1 . . . . 233 Gly HA2 . 25485 1 2605 . 1 1 233 233 GLY HA3 H 1 3.920 0.023 . 1 . . . . 233 Gly HA3 . 25485 1 2606 . 1 1 233 233 GLY C C 13 176.098 0.004 . 1 . . . . 233 Gly C . 25485 1 2607 . 1 1 233 233 GLY CA C 13 47.634 0.082 . 1 . . . . 233 Gly CA . 25485 1 2608 . 1 1 233 233 GLY N N 15 106.425 0.062 . 1 . . . . 233 Gly N . 25485 1 2609 . 1 1 234 234 ILE H H 1 8.539 0.031 . 1 . . . . 234 Ile H . 25485 1 2610 . 1 1 234 234 ILE HB H 1 2.548 0.024 . 1 . . . . 234 Ile HB . 25485 1 2611 . 1 1 234 234 ILE HG12 H 1 1.687 0.023 . 2 . . . . 234 Ile HG12 . 25485 1 2612 . 1 1 234 234 ILE HG13 H 1 2.066 0.034 . 2 . . . . 234 Ile HG13 . 25485 1 2613 . 1 1 234 234 ILE HG21 H 1 1.633 0.015 . 1 . . . . 234 Ile HG21 . 25485 1 2614 . 1 1 234 234 ILE HG22 H 1 1.633 0.015 . 1 . . . . 234 Ile HG22 . 25485 1 2615 . 1 1 234 234 ILE HG23 H 1 1.633 0.015 . 1 . . . . 234 Ile HG23 . 25485 1 2616 . 1 1 234 234 ILE HD11 H 1 0.921 0.024 . 1 . . . . 234 Ile HD11 . 25485 1 2617 . 1 1 234 234 ILE HD12 H 1 0.921 0.024 . 1 . . . . 234 Ile HD12 . 25485 1 2618 . 1 1 234 234 ILE HD13 H 1 0.921 0.024 . 1 . . . . 234 Ile HD13 . 25485 1 2619 . 1 1 234 234 ILE C C 13 178.229 0.005 . 1 . . . . 234 Ile C . 25485 1 2620 . 1 1 234 234 ILE CA C 13 61.585 0.060 . 1 . . . . 234 Ile CA . 25485 1 2621 . 1 1 234 234 ILE CB C 13 37.581 0.097 . 1 . . . . 234 Ile CB . 25485 1 2622 . 1 1 234 234 ILE CG1 C 13 31.546 0.127 . 1 . . . . 234 Ile CG1 . 25485 1 2623 . 1 1 234 234 ILE CG2 C 13 19.949 0.031 . 1 . . . . 234 Ile CG2 . 25485 1 2624 . 1 1 234 234 ILE CD1 C 13 15.169 0.149 . 1 . . . . 234 Ile CD1 . 25485 1 2625 . 1 1 234 234 ILE N N 15 125.119 0.146 . 1 . . . . 234 Ile N . 25485 1 2626 . 1 1 235 235 GLN H H 1 8.296 0.027 . 1 . . . . 235 Gln H . 25485 1 2627 . 1 1 235 235 GLN HA H 1 4.357 0.000 . 1 . . . . 235 Gln HA . 25485 1 2628 . 1 1 235 235 GLN HB2 H 1 1.728 0.000 . 2 . . . . 235 Gln HB2 . 25485 1 2629 . 1 1 235 235 GLN HB3 H 1 1.728 0.000 . 2 . . . . 235 Gln HB3 . 25485 1 2630 . 1 1 235 235 GLN HG2 H 1 2.540 0.000 . 2 . . . . 235 Gln HG2 . 25485 1 2631 . 1 1 235 235 GLN HG3 H 1 2.918 0.018 . 2 . . . . 235 Gln HG3 . 25485 1 2632 . 1 1 235 235 GLN C C 13 180.106 0.006 . 1 . . . . 235 Gln C . 25485 1 2633 . 1 1 235 235 GLN CA C 13 57.882 0.130 . 1 . . . . 235 Gln CA . 25485 1 2634 . 1 1 235 235 GLN CB C 13 27.454 0.097 . 1 . . . . 235 Gln CB . 25485 1 2635 . 1 1 235 235 GLN CG C 13 34.354 0.056 . 1 . . . . 235 Gln CG . 25485 1 2636 . 1 1 235 235 GLN N N 15 122.877 0.078 . 1 . . . . 235 Gln N . 25485 1 2637 . 1 1 236 236 LYS H H 1 8.024 0.024 . 1 . . . . 236 Lys H . 25485 1 2638 . 1 1 236 236 LYS HA H 1 4.082 0.035 . 1 . . . . 236 Lys HA . 25485 1 2639 . 1 1 236 236 LYS HB2 H 1 1.991 0.025 . 2 . . . . 236 Lys HB2 . 25485 1 2640 . 1 1 236 236 LYS HB3 H 1 1.991 0.025 . 2 . . . . 236 Lys HB3 . 25485 1 2641 . 1 1 236 236 LYS HG2 H 1 1.564 0.024 . 2 . . . . 236 Lys HG2 . 25485 1 2642 . 1 1 236 236 LYS HG3 H 1 1.611 0.012 . 2 . . . . 236 Lys HG3 . 25485 1 2643 . 1 1 236 236 LYS HD2 H 1 1.717 0.027 . 2 . . . . 236 Lys HD2 . 25485 1 2644 . 1 1 236 236 LYS HD3 H 1 1.752 0.000 . 2 . . . . 236 Lys HD3 . 25485 1 2645 . 1 1 236 236 LYS HE2 H 1 3.033 0.011 . 2 . . . . 236 Lys HE2 . 25485 1 2646 . 1 1 236 236 LYS HE3 H 1 3.033 0.011 . 2 . . . . 236 Lys HE3 . 25485 1 2647 . 1 1 236 236 LYS C C 13 178.167 0.009 . 1 . . . . 236 Lys C . 25485 1 2648 . 1 1 236 236 LYS CA C 13 59.347 0.083 . 1 . . . . 236 Lys CA . 25485 1 2649 . 1 1 236 236 LYS CB C 13 31.944 0.019 . 1 . . . . 236 Lys CB . 25485 1 2650 . 1 1 236 236 LYS CG C 13 25.072 0.029 . 1 . . . . 236 Lys CG . 25485 1 2651 . 1 1 236 236 LYS CD C 13 28.975 0.000 . 1 . . . . 236 Lys CD . 25485 1 2652 . 1 1 236 236 LYS CE C 13 41.991 0.000 . 1 . . . . 236 Lys CE . 25485 1 2653 . 1 1 236 236 LYS N N 15 123.678 0.122 . 1 . . . . 236 Lys N . 25485 1 2654 . 1 1 237 237 LEU H H 1 6.888 0.027 . 1 . . . . 237 Leu H . 25485 1 2655 . 1 1 237 237 LEU HA H 1 3.987 0.030 . 1 . . . . 237 Leu HA . 25485 1 2656 . 1 1 237 237 LEU HB2 H 1 0.652 0.029 . 2 . . . . 237 Leu HB2 . 25485 1 2657 . 1 1 237 237 LEU HB3 H 1 1.901 0.017 . 2 . . . . 237 Leu HB3 . 25485 1 2658 . 1 1 237 237 LEU HG H 1 1.598 0.019 . 1 . . . . 237 Leu HG . 25485 1 2659 . 1 1 237 237 LEU HD11 H 1 0.814 0.020 . 1 . . . . 237 Leu HD11 . 25485 1 2660 . 1 1 237 237 LEU HD12 H 1 0.814 0.020 . 1 . . . . 237 Leu HD12 . 25485 1 2661 . 1 1 237 237 LEU HD13 H 1 0.814 0.020 . 1 . . . . 237 Leu HD13 . 25485 1 2662 . 1 1 237 237 LEU HD21 H 1 0.710 0.023 . 1 . . . . 237 Leu HD21 . 25485 1 2663 . 1 1 237 237 LEU HD22 H 1 0.710 0.023 . 1 . . . . 237 Leu HD22 . 25485 1 2664 . 1 1 237 237 LEU HD23 H 1 0.710 0.023 . 1 . . . . 237 Leu HD23 . 25485 1 2665 . 1 1 237 237 LEU C C 13 177.895 0.060 . 1 . . . . 237 Leu C . 25485 1 2666 . 1 1 237 237 LEU CA C 13 57.402 0.065 . 1 . . . . 237 Leu CA . 25485 1 2667 . 1 1 237 237 LEU CB C 13 43.610 0.105 . 1 . . . . 237 Leu CB . 25485 1 2668 . 1 1 237 237 LEU CG C 13 26.613 0.132 . 1 . . . . 237 Leu CG . 25485 1 2669 . 1 1 237 237 LEU CD1 C 13 25.080 0.041 . 1 . . . . 237 Leu CD1 . 25485 1 2670 . 1 1 237 237 LEU CD2 C 13 22.798 0.063 . 1 . . . . 237 Leu CD2 . 25485 1 2671 . 1 1 237 237 LEU N N 15 116.873 0.074 . 1 . . . . 237 Leu N . 25485 1 2672 . 1 1 238 238 TYR H H 1 7.445 0.017 . 1 . . . . 238 Tyr H . 25485 1 2673 . 1 1 238 238 TYR HA H 1 4.651 0.019 . 1 . . . . 238 Tyr HA . 25485 1 2674 . 1 1 238 238 TYR HB2 H 1 2.703 0.015 . 2 . . . . 238 Tyr HB2 . 25485 1 2675 . 1 1 238 238 TYR HB3 H 1 3.347 0.022 . 2 . . . . 238 Tyr HB3 . 25485 1 2676 . 1 1 238 238 TYR HD1 H 1 7.424 0.019 . 1 . . . . 238 Tyr HD1 . 25485 1 2677 . 1 1 238 238 TYR HD2 H 1 7.424 0.019 . 1 . . . . 238 Tyr HD2 . 25485 1 2678 . 1 1 238 238 TYR HE1 H 1 6.940 0.015 . 1 . . . . 238 Tyr HE1 . 25485 1 2679 . 1 1 238 238 TYR HE2 H 1 6.940 0.015 . 1 . . . . 238 Tyr HE2 . 25485 1 2680 . 1 1 238 238 TYR HH H 1 10.054 0.000 . 1 . . . . 238 Tyr HH . 25485 1 2681 . 1 1 238 238 TYR C C 13 176.079 0.007 . 1 . . . . 238 Tyr C . 25485 1 2682 . 1 1 238 238 TYR CA C 13 59.626 0.136 . 1 . . . . 238 Tyr CA . 25485 1 2683 . 1 1 238 238 TYR CB C 13 41.363 0.114 . 1 . . . . 238 Tyr CB . 25485 1 2684 . 1 1 238 238 TYR CD1 C 13 134.163 0.183 . 1 . . . . 238 Tyr CD1 . 25485 1 2685 . 1 1 238 238 TYR CD2 C 13 134.163 0.183 . 1 . . . . 238 Tyr CD2 . 25485 1 2686 . 1 1 238 238 TYR CE1 C 13 118.222 0.002 . 1 . . . . 238 Tyr CE1 . 25485 1 2687 . 1 1 238 238 TYR CE2 C 13 118.222 0.002 . 1 . . . . 238 Tyr CE2 . 25485 1 2688 . 1 1 238 238 TYR N N 15 112.237 0.040 . 1 . . . . 238 Tyr N . 25485 1 2689 . 1 1 239 239 GLY H H 1 8.443 0.014 . 1 . . . . 239 Gly H . 25485 1 2690 . 1 1 239 239 GLY HA2 H 1 3.866 0.023 . 1 . . . . 239 Gly HA2 . 25485 1 2691 . 1 1 239 239 GLY HA3 H 1 4.381 0.035 . 1 . . . . 239 Gly HA3 . 25485 1 2692 . 1 1 239 239 GLY C C 13 171.269 0.002 . 1 . . . . 239 Gly C . 25485 1 2693 . 1 1 239 239 GLY CA C 13 43.848 0.090 . 1 . . . . 239 Gly CA . 25485 1 2694 . 1 1 239 239 GLY N N 15 110.906 0.008 . 1 . . . . 239 Gly N . 25485 1 2695 . 1 1 240 240 LYS H H 1 7.873 0.023 . 1 . . . . 240 Lys H . 25485 1 2696 . 1 1 240 240 LYS HA H 1 4.738 0.000 . 1 . . . . 240 Lys HA . 25485 1 2697 . 1 1 240 240 LYS HB2 H 1 1.656 0.019 . 2 . . . . 240 Lys HB2 . 25485 1 2698 . 1 1 240 240 LYS HG2 H 1 1.354 0.008 . 2 . . . . 240 Lys HG2 . 25485 1 2699 . 1 1 240 240 LYS HG3 H 1 1.354 0.008 . 2 . . . . 240 Lys HG3 . 25485 1 2700 . 1 1 240 240 LYS HD2 H 1 1.702 0.004 . 2 . . . . 240 Lys HD2 . 25485 1 2701 . 1 1 240 240 LYS HD3 H 1 1.702 0.004 . 2 . . . . 240 Lys HD3 . 25485 1 2702 . 1 1 240 240 LYS HE2 H 1 2.841 0.000 . 2 . . . . 240 Lys HE2 . 25485 1 2703 . 1 1 240 240 LYS HE3 H 1 3.033 0.002 . 2 . . . . 240 Lys HE3 . 25485 1 2704 . 1 1 240 240 LYS C C 13 177.527 0.026 . 1 . . . . 240 Lys C . 25485 1 2705 . 1 1 240 240 LYS CA C 13 54.952 0.208 . 1 . . . . 240 Lys CA . 25485 1 2706 . 1 1 240 240 LYS CB C 13 34.285 0.027 . 1 . . . . 240 Lys CB . 25485 1 2707 . 1 1 240 240 LYS CG C 13 24.564 0.000 . 1 . . . . 240 Lys CG . 25485 1 2708 . 1 1 240 240 LYS CD C 13 28.845 0.002 . 1 . . . . 240 Lys CD . 25485 1 2709 . 1 1 240 240 LYS CE C 13 42.060 0.096 . 1 . . . . 240 Lys CE . 25485 1 2710 . 1 1 240 240 LYS N N 15 114.281 0.032 . 1 . . . . 240 Lys N . 25485 1 2711 . 1 1 241 241 ARG H H 1 7.742 0.037 . 1 . . . . 241 Arg H . 25485 1 2712 . 1 1 241 241 ARG HA H 1 3.997 0.007 . 1 . . . . 241 Arg HA . 25485 1 2713 . 1 1 241 241 ARG HB2 H 1 1.432 0.011 . 2 . . . . 241 Arg HB2 . 25485 1 2714 . 1 1 241 241 ARG HB3 H 1 1.662 0.020 . 2 . . . . 241 Arg HB3 . 25485 1 2715 . 1 1 241 241 ARG HG2 H 1 1.441 0.011 . 2 . . . . 241 Arg HG2 . 25485 1 2716 . 1 1 241 241 ARG HG3 H 1 1.441 0.011 . 2 . . . . 241 Arg HG3 . 25485 1 2717 . 1 1 241 241 ARG HD2 H 1 3.252 0.011 . 2 . . . . 241 Arg HD2 . 25485 1 2718 . 1 1 241 241 ARG HD3 H 1 3.252 0.011 . 2 . . . . 241 Arg HD3 . 25485 1 2719 . 1 1 241 241 ARG C C 13 176.026 0.000 . 1 . . . . 241 Arg C . 25485 1 2720 . 1 1 241 241 ARG CA C 13 57.441 0.097 . 1 . . . . 241 Arg CA . 25485 1 2721 . 1 1 241 241 ARG CB C 13 30.361 0.161 . 1 . . . . 241 Arg CB . 25485 1 2722 . 1 1 241 241 ARG CG C 13 27.875 0.050 . 1 . . . . 241 Arg CG . 25485 1 2723 . 1 1 241 241 ARG CD C 13 42.834 0.043 . 1 . . . . 241 Arg CD . 25485 1 2724 . 1 1 241 241 ARG N N 15 123.758 0.141 . 1 . . . . 241 Arg N . 25485 1 2725 . 1 1 242 242 SER H H 1 9.170 0.000 . 1 . . . . 242 Ser H . 25485 1 2726 . 1 1 242 242 SER N N 15 135.650 0.000 . 1 . . . . 242 Ser N . 25485 1 2727 . 1 1 246 246 LYS HA H 1 4.340 0.000 . 1 . . . . 246 Lys HA . 25485 1 2728 . 1 1 246 246 LYS HB2 H 1 1.768 0.000 . 2 . . . . 246 Lys HB2 . 25485 1 2729 . 1 1 246 246 LYS HB3 H 1 1.768 0.000 . 2 . . . . 246 Lys HB3 . 25485 1 2730 . 1 1 246 246 LYS HG2 H 1 1.773 0.009 . 2 . . . . 246 Lys HG2 . 25485 1 2731 . 1 1 246 246 LYS HG3 H 1 1.764 0.000 . 2 . . . . 246 Lys HG3 . 25485 1 2732 . 1 1 246 246 LYS HE2 H 1 3.028 0.000 . 2 . . . . 246 Lys HE2 . 25485 1 2733 . 1 1 246 246 LYS HE3 H 1 3.028 0.000 . 2 . . . . 246 Lys HE3 . 25485 1 2734 . 1 1 246 246 LYS C C 13 175.403 0.000 . 1 . . . . 246 Lys C . 25485 1 2735 . 1 1 246 246 LYS CA C 13 56.510 0.135 . 1 . . . . 246 Lys CA . 25485 1 2736 . 1 1 246 246 LYS CB C 13 32.823 0.083 . 1 . . . . 246 Lys CB . 25485 1 2737 . 1 1 246 246 LYS CG C 13 24.414 0.091 . 1 . . . . 246 Lys CG . 25485 1 2738 . 1 1 246 246 LYS CD C 13 28.854 0.000 . 1 . . . . 246 Lys CD . 25485 1 2739 . 1 1 246 246 LYS CE C 13 42.026 0.000 . 1 . . . . 246 Lys CE . 25485 1 2740 . 1 1 247 247 LYS H H 1 7.891 0.000 . 1 . . . . 247 Lys H . 25485 1 2741 . 1 1 247 247 LYS HA H 1 3.778 0.000 . 1 . . . . 247 Lys HA . 25485 1 2742 . 1 1 247 247 LYS C C 13 181.103 0.000 . 1 . . . . 247 Lys C . 25485 1 2743 . 1 1 247 247 LYS CA C 13 57.829 0.156 . 1 . . . . 247 Lys CA . 25485 1 2744 . 1 1 247 247 LYS CB C 13 33.185 0.451 . 1 . . . . 247 Lys CB . 25485 1 2745 . 1 1 247 247 LYS CE C 13 36.098 0.000 . 1 . . . . 247 Lys CE . 25485 1 2746 . 1 1 247 247 LYS N N 15 128.815 0.000 . 1 . . . . 247 Lys N . 25485 1 stop_ save_