data_16328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16328 _Entry.Title ; the S173N variant of rabbit prion protein (91-228) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-30 _Entry.Accession_date 2009-05-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Jun Li . . . 16328 2 Yi Wen . . . 16328 3 Donghai Lin . . . 16328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 16328 '15N chemical shifts' 126 16328 '1H chemical shifts' 714 16328 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2009-05-30 update BMRB 'Update entry citation' 16328 1 . . 2010-07-20 2009-05-30 original author 'original release' 16328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2joh . 16328 stop_ save_ ############### # Citations # ############### save_citation_information _Citation.Sf_category citations _Citation.Sf_framecode citation_information _Citation.Entry_ID 16328 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20639199 _Citation.Full_citation . _Citation.Title 'Unique structural characteristics of the rabbit prion protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 41 _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 31682 _Citation.Page_last 31693 _Citation.Year 2010 _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 Yi Wen . . . 16328 1 2 Jun Li . . . 16328 1 3 Wenming Yao . . . 16328 1 4 Minqian Xiong . . . 16328 1 5 Jing Hong . . . 16328 1 6 Yu Peng . . . 16328 1 7 Gengfu Xiao . . . 16328 1 8 Donghai Lin . . . 16328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16328 _Assembly.ID 1 _Assembly.Name 'single chain polymers' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'prion protein' 1 $prion_protein A . yes native no no . . . 16328 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 89 89 SG . 1 . 1 CYS 124 124 SG . . . . . . . . . . 16328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_prion_protein _Entity.Sf_category entity _Entity.Sf_framecode prion_protein _Entity.Entry_ID 16328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name prion_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQGGTHNQWGKPSKPKTSMK HVAGAAAAGAVVGGLGGYML GSAMSRPLIHFGNDYEDRYY RENMYRYPNQVYYRPVDQYS NQNNFVHDCVNITVKQHTVT TTTKGENFTETDIKIMERVV EQMCITQYQQESQAAYQRAH HHHHH ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation S173N _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15394 . "rpp mutation S173N" . . . . . 95.17 138 99.28 99.28 3.95e-97 . . . . 16328 1 2 no BMRB 15399 . "rpp I214V" . . . . . 95.17 138 98.55 100.00 1.88e-97 . . . . 16328 1 3 no BMRB 16616 . prion . . . . . 100.00 145 98.62 100.00 2.81e-103 . . . . 16328 1 4 no PDB 1TPX . "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 82.07 121 97.48 98.32 7.67e-80 . . . . 16328 1 5 no PDB 1TQB . "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 69.66 102 98.02 99.01 2.64e-67 . . . . 16328 1 6 no PDB 1TQC . "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" . . . . . 69.66 102 98.02 100.00 2.05e-67 . . . . 16328 1 7 no PDB 2FJ3 . "Nmr Solution Of Rabbit Prion Protein (91-228)" . . . . . 95.17 138 99.28 100.00 1.02e-97 . . . . 16328 1 8 no PDB 2JOH . "Nmr Structure Of Rabbit Prion Protein Mutation S173n" . . . . . 100.69 148 98.63 98.63 2.25e-101 . . . . 16328 1 9 no PDB 2JOM . "Nmr Structure Of Rabbit Prion Protein Mutation I214v" . . . . . 100.69 148 97.26 98.63 1.51e-100 . . . . 16328 1 10 no PDB 3O79 . "Crystal Structure Of Wild-Type Rabbit Prp 126-230" . . . . . 71.72 105 99.04 100.00 2.27e-70 . . . . 16328 1 11 no PDB 4HLS . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" . . . . . 75.86 132 98.18 100.00 1.06e-73 . . . . 16328 1 12 no PDB 4HMM . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" . . . . . 75.86 132 100.00 100.00 4.84e-75 . . . . 16328 1 13 no PDB 4HMR . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" . . . . . 75.86 132 99.09 100.00 2.46e-74 . . . . 16328 1 14 no EMBL CBK44083 . "prnp [Sciurus lis]" . . . . . 88.97 180 97.67 100.00 1.48e-88 . . . . 16328 1 15 no GB AAC48697 . "major prion protein [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 9.33e-96 . . . . 16328 1 16 no GB AAD01554 . "prion protein [Oryctolagus cuniculus]" . . . . . 94.48 254 99.27 100.00 3.85e-95 . . . . 16328 1 17 no GB ABL75505 . "prion protein, partial [Oryctolagus cuniculus]" . . . . . 95.17 244 99.28 100.00 6.72e-96 . . . . 16328 1 18 no GB AEM44421 . "prion protein [Ovis aries]" . . . . . 66.90 97 98.97 98.97 6.51e-64 . . . . 16328 1 19 no GB AEM44422 . "prion protein [Ovis aries]" . . . . . 66.90 97 98.97 98.97 1.29e-63 . . . . 16328 1 20 no REF NP_001075490 . "major prion protein precursor [Oryctolagus cuniculus]" . . . . . 94.48 254 99.27 100.00 3.85e-95 . . . . 16328 1 21 no REF XP_008254357 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 9.33e-96 . . . . 16328 1 22 no REF XP_008254358 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 9.33e-96 . . . . 16328 1 23 no SP Q95211 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.17 252 99.28 100.00 9.33e-96 . . . . 16328 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 92 MET . 16328 1 2 93 GLN . 16328 1 3 94 GLY . 16328 1 4 95 GLY . 16328 1 5 96 THR . 16328 1 6 97 HIS . 16328 1 7 98 ASN . 16328 1 8 99 GLN . 16328 1 9 100 TRP . 16328 1 10 101 GLY . 16328 1 11 102 LYS . 16328 1 12 103 PRO . 16328 1 13 104 SER . 16328 1 14 105 LYS . 16328 1 15 106 PRO . 16328 1 16 107 LYS . 16328 1 17 108 THR . 16328 1 18 109 SER . 16328 1 19 110 MET . 16328 1 20 111 LYS . 16328 1 21 112 HIS . 16328 1 22 113 VAL . 16328 1 23 114 ALA . 16328 1 24 115 GLY . 16328 1 25 116 ALA . 16328 1 26 117 ALA . 16328 1 27 118 ALA . 16328 1 28 119 ALA . 16328 1 29 120 GLY . 16328 1 30 121 ALA . 16328 1 31 122 VAL . 16328 1 32 123 VAL . 16328 1 33 124 GLY . 16328 1 34 125 GLY . 16328 1 35 126 LEU . 16328 1 36 127 GLY . 16328 1 37 128 GLY . 16328 1 38 129 TYR . 16328 1 39 130 MET . 16328 1 40 131 LEU . 16328 1 41 132 GLY . 16328 1 42 133 SER . 16328 1 43 134 ALA . 16328 1 44 135 MET . 16328 1 45 136 SER . 16328 1 46 137 ARG . 16328 1 47 138 PRO . 16328 1 48 139 LEU . 16328 1 49 140 ILE . 16328 1 50 141 HIS . 16328 1 51 142 PHE . 16328 1 52 143 GLY . 16328 1 53 144 ASN . 16328 1 54 145 ASP . 16328 1 55 146 TYR . 16328 1 56 147 GLU . 16328 1 57 148 ASP . 16328 1 58 149 ARG . 16328 1 59 150 TYR . 16328 1 60 151 TYR . 16328 1 61 152 ARG . 16328 1 62 153 GLU . 16328 1 63 154 ASN . 16328 1 64 155 MET . 16328 1 65 156 TYR . 16328 1 66 157 ARG . 16328 1 67 158 TYR . 16328 1 68 159 PRO . 16328 1 69 160 ASN . 16328 1 70 161 GLN . 16328 1 71 162 VAL . 16328 1 72 163 TYR . 16328 1 73 164 TYR . 16328 1 74 165 ARG . 16328 1 75 166 PRO . 16328 1 76 167 VAL . 16328 1 77 168 ASP . 16328 1 78 169 GLN . 16328 1 79 170 TYR . 16328 1 80 171 SER . 16328 1 81 172 ASN . 16328 1 82 173 GLN . 16328 1 83 174 ASN . 16328 1 84 175 ASN . 16328 1 85 176 PHE . 16328 1 86 177 VAL . 16328 1 87 178 HIS . 16328 1 88 179 ASP . 16328 1 89 180 CYS . 16328 1 90 181 VAL . 16328 1 91 182 ASN . 16328 1 92 183 ILE . 16328 1 93 184 THR . 16328 1 94 185 VAL . 16328 1 95 186 LYS . 16328 1 96 187 GLN . 16328 1 97 188 HIS . 16328 1 98 189 THR . 16328 1 99 190 VAL . 16328 1 100 191 THR . 16328 1 101 192 THR . 16328 1 102 193 THR . 16328 1 103 194 THR . 16328 1 104 195 LYS . 16328 1 105 196 GLY . 16328 1 106 197 GLU . 16328 1 107 198 ASN . 16328 1 108 199 PHE . 16328 1 109 200 THR . 16328 1 110 201 GLU . 16328 1 111 202 THR . 16328 1 112 203 ASP . 16328 1 113 204 ILE . 16328 1 114 205 LYS . 16328 1 115 206 ILE . 16328 1 116 207 MET . 16328 1 117 208 GLU . 16328 1 118 209 ARG . 16328 1 119 210 VAL . 16328 1 120 211 VAL . 16328 1 121 212 GLU . 16328 1 122 213 GLN . 16328 1 123 214 MET . 16328 1 124 215 CYS . 16328 1 125 216 ILE . 16328 1 126 217 THR . 16328 1 127 218 GLN . 16328 1 128 219 TYR . 16328 1 129 220 GLN . 16328 1 130 221 GLN . 16328 1 131 222 GLU . 16328 1 132 223 SER . 16328 1 133 224 GLN . 16328 1 134 225 ALA . 16328 1 135 226 ALA . 16328 1 136 227 TYR . 16328 1 137 228 GLN . 16328 1 138 229 ARG . 16328 1 139 230 ALA . 16328 1 140 231 HIS . 16328 1 141 232 HIS . 16328 1 142 233 HIS . 16328 1 143 234 HIS . 16328 1 144 235 HIS . 16328 1 145 236 HIS . 16328 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16328 1 . GLN 2 2 16328 1 . GLY 3 3 16328 1 . GLY 4 4 16328 1 . THR 5 5 16328 1 . HIS 6 6 16328 1 . ASN 7 7 16328 1 . GLN 8 8 16328 1 . TRP 9 9 16328 1 . GLY 10 10 16328 1 . LYS 11 11 16328 1 . PRO 12 12 16328 1 . SER 13 13 16328 1 . LYS 14 14 16328 1 . PRO 15 15 16328 1 . LYS 16 16 16328 1 . THR 17 17 16328 1 . SER 18 18 16328 1 . MET 19 19 16328 1 . LYS 20 20 16328 1 . HIS 21 21 16328 1 . VAL 22 22 16328 1 . ALA 23 23 16328 1 . GLY 24 24 16328 1 . ALA 25 25 16328 1 . ALA 26 26 16328 1 . ALA 27 27 16328 1 . ALA 28 28 16328 1 . GLY 29 29 16328 1 . ALA 30 30 16328 1 . VAL 31 31 16328 1 . VAL 32 32 16328 1 . GLY 33 33 16328 1 . GLY 34 34 16328 1 . LEU 35 35 16328 1 . GLY 36 36 16328 1 . GLY 37 37 16328 1 . TYR 38 38 16328 1 . MET 39 39 16328 1 . LEU 40 40 16328 1 . GLY 41 41 16328 1 . SER 42 42 16328 1 . ALA 43 43 16328 1 . MET 44 44 16328 1 . SER 45 45 16328 1 . ARG 46 46 16328 1 . PRO 47 47 16328 1 . LEU 48 48 16328 1 . ILE 49 49 16328 1 . HIS 50 50 16328 1 . PHE 51 51 16328 1 . GLY 52 52 16328 1 . ASN 53 53 16328 1 . ASP 54 54 16328 1 . TYR 55 55 16328 1 . GLU 56 56 16328 1 . ASP 57 57 16328 1 . ARG 58 58 16328 1 . TYR 59 59 16328 1 . TYR 60 60 16328 1 . ARG 61 61 16328 1 . GLU 62 62 16328 1 . ASN 63 63 16328 1 . MET 64 64 16328 1 . TYR 65 65 16328 1 . ARG 66 66 16328 1 . TYR 67 67 16328 1 . PRO 68 68 16328 1 . ASN 69 69 16328 1 . GLN 70 70 16328 1 . VAL 71 71 16328 1 . TYR 72 72 16328 1 . TYR 73 73 16328 1 . ARG 74 74 16328 1 . PRO 75 75 16328 1 . VAL 76 76 16328 1 . ASP 77 77 16328 1 . GLN 78 78 16328 1 . TYR 79 79 16328 1 . SER 80 80 16328 1 . ASN 81 81 16328 1 . GLN 82 82 16328 1 . ASN 83 83 16328 1 . ASN 84 84 16328 1 . PHE 85 85 16328 1 . VAL 86 86 16328 1 . HIS 87 87 16328 1 . ASP 88 88 16328 1 . CYS 89 89 16328 1 . VAL 90 90 16328 1 . ASN 91 91 16328 1 . ILE 92 92 16328 1 . THR 93 93 16328 1 . VAL 94 94 16328 1 . LYS 95 95 16328 1 . GLN 96 96 16328 1 . HIS 97 97 16328 1 . THR 98 98 16328 1 . VAL 99 99 16328 1 . THR 100 100 16328 1 . THR 101 101 16328 1 . THR 102 102 16328 1 . THR 103 103 16328 1 . LYS 104 104 16328 1 . GLY 105 105 16328 1 . GLU 106 106 16328 1 . ASN 107 107 16328 1 . PHE 108 108 16328 1 . THR 109 109 16328 1 . GLU 110 110 16328 1 . THR 111 111 16328 1 . ASP 112 112 16328 1 . ILE 113 113 16328 1 . LYS 114 114 16328 1 . ILE 115 115 16328 1 . MET 116 116 16328 1 . GLU 117 117 16328 1 . ARG 118 118 16328 1 . VAL 119 119 16328 1 . VAL 120 120 16328 1 . GLU 121 121 16328 1 . GLN 122 122 16328 1 . MET 123 123 16328 1 . CYS 124 124 16328 1 . ILE 125 125 16328 1 . THR 126 126 16328 1 . GLN 127 127 16328 1 . TYR 128 128 16328 1 . GLN 129 129 16328 1 . GLN 130 130 16328 1 . GLU 131 131 16328 1 . SER 132 132 16328 1 . GLN 133 133 16328 1 . ALA 134 134 16328 1 . ALA 135 135 16328 1 . TYR 136 136 16328 1 . GLN 137 137 16328 1 . ARG 138 138 16328 1 . ALA 139 139 16328 1 . HIS 140 140 16328 1 . HIS 141 141 16328 1 . HIS 142 142 16328 1 . HIS 143 143 16328 1 . HIS 144 144 16328 1 . HIS 145 145 16328 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16328 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $prion_protein . 9986 organism . 'Oryctolagus cuniculus' Rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 16328 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 16328 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $prion_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 16328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 16328 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 prion_protein '[U-100% 13C; U-100% 15N]' . . 1 $prion_protein . . 1 . . mM . . . . 16328 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16328 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16328 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16328 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition _Sample_condition_list.Entry_ID 16328 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.04 . M 16328 1 pH 4.5 . pH 16328 1 pressure 1 . atm 16328 1 temperature 298.15 . K 16328 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16328 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16328 1 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 16328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16328 _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 Varian INOVA . 600 . . . 16328 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 16328 _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 'standard NMR experiments' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16328 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 16328 _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 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16328 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 16328 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16328 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 16328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'standard NMR experiments' . . . 16328 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.61 0 . 1 . . . . 92 GLY H . 16328 1 2 . 1 1 3 3 GLY N N 15 111.372 0 . 1 . . . . 92 GLY N . 16328 1 3 . 1 1 5 5 THR H H 1 8.107 0 . 1 . . . . 94 THR H . 16328 1 4 . 1 1 5 5 THR N N 15 113.143 0 . 1 . . . . 94 THR N . 16328 1 5 . 1 1 6 6 HIS H H 1 8.571 0 . 1 . . . . 95 HIS H . 16328 1 6 . 1 1 6 6 HIS HA H 1 4.567 0.007 . 1 . . . . 95 HIS HA . 16328 1 7 . 1 1 6 6 HIS HD2 H 1 7.121 0 . 1 . . . . 95 HIS HD2 . 16328 1 8 . 1 1 6 6 HIS CA C 13 56.08 0 . 1 . . . . 95 HIS CA . 16328 1 9 . 1 1 6 6 HIS N N 15 120.521 0 . 1 . . . . 95 HIS N . 16328 1 10 . 1 1 7 7 ASN H H 1 8.395 0 . 1 . . . . 96 ASN H . 16328 1 11 . 1 1 7 7 ASN N N 15 119.835 0 . 1 . . . . 96 ASN N . 16328 1 12 . 1 1 8 8 GLN H H 1 8.362 0 . 1 . . . . 97 GLN H . 16328 1 13 . 1 1 8 8 GLN N N 15 120.654 0 . 1 . . . . 97 GLN N . 16328 1 14 . 1 1 9 9 TRP H H 1 8.12 0 . 1 . . . . 98 TRP H . 16328 1 15 . 1 1 9 9 TRP HA H 1 4.708 0.008 . 1 . . . . 98 TRP HA . 16328 1 16 . 1 1 9 9 TRP HB2 H 1 3.348 0 . 2 . . . . 98 TRP HB2 . 16328 1 17 . 1 1 9 9 TRP HB3 H 1 3.222 0 . 1 . . . . 98 TRP HB3 . 16328 1 18 . 1 1 9 9 TRP CA C 13 57.044 0 . 1 . . . . 98 TRP CA . 16328 1 19 . 1 1 9 9 TRP N N 15 121.752 0 . 1 . . . . 98 TRP N . 16328 1 20 . 1 1 10 10 GLY H H 1 8.175 0.002 . 1 . . . . 99 GLY H . 16328 1 21 . 1 1 10 10 GLY HA2 H 1 3.824 0.008 . 1 . . . . 99 GLY HA2 . 16328 1 22 . 1 1 10 10 GLY HA3 H 1 3.824 0.008 . 1 . . . . 99 GLY HA3 . 16328 1 23 . 1 1 10 10 GLY N N 15 110.149 0.007 . 1 . . . . 99 GLY N . 16328 1 24 . 1 1 11 11 LYS H H 1 8.04 0 . 1 . . . . 100 LYS H . 16328 1 25 . 1 1 11 11 LYS N N 15 121.74 0 . 1 . . . . 100 LYS N . 16328 1 26 . 1 1 13 13 SER HA H 1 4.415 0 . 1 . . . . 102 SER HA . 16328 1 27 . 1 1 14 14 LYS H H 1 8.314 0.002 . 1 . . . . 103 LYS H . 16328 1 28 . 1 1 14 14 LYS HD2 H 1 1.698 0 . 1 . . . . 103 LYS HD2 . 16328 1 29 . 1 1 14 14 LYS HD3 H 1 1.698 0 . 1 . . . . 103 LYS HD3 . 16328 1 30 . 1 1 14 14 LYS N N 15 124.116 0.02 . 1 . . . . 103 LYS N . 16328 1 31 . 1 1 16 16 LYS H H 1 8.53 0 . 1 . . . . 105 LYS H . 16328 1 32 . 1 1 16 16 LYS N N 15 122.181 0 . 1 . . . . 105 LYS N . 16328 1 33 . 1 1 17 17 THR H H 1 8.133 0 . 1 . . . . 106 THR H . 16328 1 34 . 1 1 17 17 THR N N 15 115.454 0 . 1 . . . . 106 THR N . 16328 1 35 . 1 1 18 18 SER H H 1 8.38 0 . 1 . . . . 107 SER H . 16328 1 36 . 1 1 18 18 SER N N 15 118.241 0 . 1 . . . . 107 SER N . 16328 1 37 . 1 1 19 19 MET H H 1 8.404 0 . 1 . . . . 108 MET H . 16328 1 38 . 1 1 19 19 MET HA H 1 4.479 0.001 . 1 . . . . 108 MET HA . 16328 1 39 . 1 1 19 19 MET HB3 H 1 2.048 0 . 1 . . . . 108 MET HB3 . 16328 1 40 . 1 1 19 19 MET HG3 H 1 2.521 0 . 1 . . . . 108 MET HG3 . 16328 1 41 . 1 1 19 19 MET CA C 13 55.354 0.003 . 1 . . . . 108 MET CA . 16328 1 42 . 1 1 19 19 MET N N 15 122.839 0 . 1 . . . . 108 MET N . 16328 1 43 . 1 1 20 20 LYS H H 1 8.285 0 . 1 . . . . 109 LYS H . 16328 1 44 . 1 1 20 20 LYS N N 15 122.726 0 . 1 . . . . 109 LYS N . 16328 1 45 . 1 1 21 21 HIS H H 1 8.576 0 . 1 . . . . 110 HIS H . 16328 1 46 . 1 1 21 21 HIS N N 15 120.757 0 . 1 . . . . 110 HIS N . 16328 1 47 . 1 1 22 22 VAL H H 1 8.226 0 . 1 . . . . 111 VAL H . 16328 1 48 . 1 1 22 22 VAL N N 15 122.888 0 . 1 . . . . 111 VAL N . 16328 1 49 . 1 1 23 23 ALA H H 1 8.469 0 . 1 . . . . 112 ALA H . 16328 1 50 . 1 1 23 23 ALA N N 15 128.392 0 . 1 . . . . 112 ALA N . 16328 1 51 . 1 1 25 25 ALA H H 1 8.15 0 . 1 . . . . 114 ALA H . 16328 1 52 . 1 1 25 25 ALA HA H 1 4.284 0.007 . 1 . . . . 114 ALA HA . 16328 1 53 . 1 1 25 25 ALA CA C 13 52.389 0.026 . 1 . . . . 114 ALA CA . 16328 1 54 . 1 1 25 25 ALA N N 15 123.854 0 . 1 . . . . 114 ALA N . 16328 1 55 . 1 1 26 26 ALA H H 1 8.289 0 . 1 . . . . 115 ALA H . 16328 1 56 . 1 1 26 26 ALA N N 15 123.356 0 . 1 . . . . 115 ALA N . 16328 1 57 . 1 1 27 27 ALA H H 1 8.2 0 . 1 . . . . 116 ALA H . 16328 1 58 . 1 1 27 27 ALA N N 15 123.416 0 . 1 . . . . 116 ALA N . 16328 1 59 . 1 1 28 28 ALA H H 1 8.223 0 . 1 . . . . 117 ALA H . 16328 1 60 . 1 1 28 28 ALA N N 15 123.36 0 . 1 . . . . 117 ALA N . 16328 1 61 . 1 1 29 29 GLY CA C 13 45.125 0 . 1 . . . . 118 GLY CA . 16328 1 62 . 1 1 30 30 ALA H H 1 8.044 0.002 . 1 . . . . 119 ALA H . 16328 1 63 . 1 1 30 30 ALA CA C 13 52.362 0.002 . 1 . . . . 119 ALA CA . 16328 1 64 . 1 1 30 30 ALA CB C 13 19.409 0 . 1 . . . . 119 ALA CB . 16328 1 65 . 1 1 30 30 ALA N N 15 123.582 0.018 . 1 . . . . 119 ALA N . 16328 1 66 . 1 1 31 31 VAL H H 1 8.117 0.001 . 1 . . . . 120 VAL H . 16328 1 67 . 1 1 31 31 VAL HA H 1 4.122 0.011 . 1 . . . . 120 VAL HA . 16328 1 68 . 1 1 31 31 VAL HB H 1 2.008 0.007 . 1 . . . . 120 VAL HB . 16328 1 69 . 1 1 31 31 VAL HG11 H 1 0.871 0 . 1 . . . . 120 VAL HG1 . 16328 1 70 . 1 1 31 31 VAL HG12 H 1 0.871 0 . 1 . . . . 120 VAL HG1 . 16328 1 71 . 1 1 31 31 VAL HG13 H 1 0.871 0 . 1 . . . . 120 VAL HG1 . 16328 1 72 . 1 1 31 31 VAL HG21 H 1 0.871 0 . 1 . . . . 120 VAL HG2 . 16328 1 73 . 1 1 31 31 VAL HG22 H 1 0.871 0 . 1 . . . . 120 VAL HG2 . 16328 1 74 . 1 1 31 31 VAL HG23 H 1 0.871 0 . 1 . . . . 120 VAL HG2 . 16328 1 75 . 1 1 31 31 VAL CA C 13 62.168 0.069 . 1 . . . . 120 VAL CA . 16328 1 76 . 1 1 31 31 VAL CB C 13 32.749 0.078 . 1 . . . . 120 VAL CB . 16328 1 77 . 1 1 31 31 VAL CG1 C 13 20.985 0 . 1 . . . . 120 VAL CG1 . 16328 1 78 . 1 1 31 31 VAL N N 15 119.682 0.02 . 1 . . . . 120 VAL N . 16328 1 79 . 1 1 32 32 VAL H H 1 8.261 0.002 . 1 . . . . 121 VAL H . 16328 1 80 . 1 1 32 32 VAL HA H 1 4.085 0.007 . 1 . . . . 121 VAL HA . 16328 1 81 . 1 1 32 32 VAL HB H 1 2.013 0.006 . 1 . . . . 121 VAL HB . 16328 1 82 . 1 1 32 32 VAL HG11 H 1 0.891 0.003 . 1 . . . . 121 VAL HG1 . 16328 1 83 . 1 1 32 32 VAL HG12 H 1 0.891 0.003 . 1 . . . . 121 VAL HG1 . 16328 1 84 . 1 1 32 32 VAL HG13 H 1 0.891 0.003 . 1 . . . . 121 VAL HG1 . 16328 1 85 . 1 1 32 32 VAL HG21 H 1 0.884 0 . 1 . . . . 121 VAL HG2 . 16328 1 86 . 1 1 32 32 VAL HG22 H 1 0.884 0 . 1 . . . . 121 VAL HG2 . 16328 1 87 . 1 1 32 32 VAL HG23 H 1 0.884 0 . 1 . . . . 121 VAL HG2 . 16328 1 88 . 1 1 32 32 VAL CA C 13 62.382 0.193 . 1 . . . . 121 VAL CA . 16328 1 89 . 1 1 32 32 VAL CB C 13 32.554 0 . 1 . . . . 121 VAL CB . 16328 1 90 . 1 1 32 32 VAL CG1 C 13 20.948 0 . 1 . . . . 121 VAL CG1 . 16328 1 91 . 1 1 32 32 VAL N N 15 124.665 0.044 . 1 . . . . 121 VAL N . 16328 1 92 . 1 1 33 33 GLY H H 1 8.538 0.016 . 1 . . . . 122 GLY H . 16328 1 93 . 1 1 33 33 GLY HA2 H 1 3.939 0.006 . 1 . . . . 122 GLY HA2 . 16328 1 94 . 1 1 33 33 GLY HA3 H 1 3.939 0.006 . 1 . . . . 122 GLY HA3 . 16328 1 95 . 1 1 33 33 GLY CA C 13 45.234 0.077 . 1 . . . . 122 GLY CA . 16328 1 96 . 1 1 33 33 GLY N N 15 113.248 0.103 . 1 . . . . 122 GLY N . 16328 1 97 . 1 1 34 34 GLY HA2 H 1 3.949 0.013 . 1 . . . . 123 GLY HA2 . 16328 1 98 . 1 1 34 34 GLY HA3 H 1 3.949 0.013 . 1 . . . . 123 GLY HA3 . 16328 1 99 . 1 1 34 34 GLY CA C 13 45.351 0 . 1 . . . . 123 GLY CA . 16328 1 100 . 1 1 35 35 LEU H H 1 8.212 0.005 . 1 . . . . 124 LEU H . 16328 1 101 . 1 1 35 35 LEU HA H 1 4.338 0.01 . 1 . . . . 124 LEU HA . 16328 1 102 . 1 1 35 35 LEU HB2 H 1 1.555 0.017 . 1 . . . . 124 LEU HB2 . 16328 1 103 . 1 1 35 35 LEU HB3 H 1 1.506 0.011 . 1 . . . . 124 LEU HB3 . 16328 1 104 . 1 1 35 35 LEU HD11 H 1 0.621 0.018 . 1 . . . . 124 LEU HD1 . 16328 1 105 . 1 1 35 35 LEU HD12 H 1 0.621 0.018 . 1 . . . . 124 LEU HD1 . 16328 1 106 . 1 1 35 35 LEU HD13 H 1 0.621 0.018 . 1 . . . . 124 LEU HD1 . 16328 1 107 . 1 1 35 35 LEU HD21 H 1 0.523 0.008 . 1 . . . . 124 LEU HD2 . 16328 1 108 . 1 1 35 35 LEU HD22 H 1 0.523 0.008 . 1 . . . . 124 LEU HD2 . 16328 1 109 . 1 1 35 35 LEU HD23 H 1 0.523 0.008 . 1 . . . . 124 LEU HD2 . 16328 1 110 . 1 1 35 35 LEU HG H 1 1.48 0.025 . 1 . . . . 124 LEU HG . 16328 1 111 . 1 1 35 35 LEU CA C 13 54.901 0.065 . 1 . . . . 124 LEU CA . 16328 1 112 . 1 1 35 35 LEU CB C 13 42.405 0.011 . 1 . . . . 124 LEU CB . 16328 1 113 . 1 1 35 35 LEU CD1 C 13 24.636 0.022 . 2 . . . . 124 LEU CD1 . 16328 1 114 . 1 1 35 35 LEU CD2 C 13 23.413 0.011 . 2 . . . . 124 LEU CD2 . 16328 1 115 . 1 1 35 35 LEU CG C 13 26.868 0.076 . 1 . . . . 124 LEU CG . 16328 1 116 . 1 1 35 35 LEU N N 15 121.618 0.032 . 1 . . . . 124 LEU N . 16328 1 117 . 1 1 36 36 GLY H H 1 8.517 0.005 . 1 . . . . 125 GLY H . 16328 1 118 . 1 1 36 36 GLY HA2 H 1 3.918 0.022 . 2 . . . . 125 GLY HA2 . 16328 1 119 . 1 1 36 36 GLY CA C 13 46.319 0.003 . 1 . . . . 125 GLY CA . 16328 1 120 . 1 1 36 36 GLY N N 15 109.787 0.036 . 1 . . . . 125 GLY N . 16328 1 121 . 1 1 37 37 GLY H H 1 8.37 0.004 . 1 . . . . 126 GLY H . 16328 1 122 . 1 1 37 37 GLY HA2 H 1 3.892 0.012 . 1 . . . . 126 GLY HA2 . 16328 1 123 . 1 1 37 37 GLY HA3 H 1 3.764 0.005 . 1 . . . . 126 GLY HA3 . 16328 1 124 . 1 1 37 37 GLY CA C 13 45.131 0 . 1 . . . . 126 GLY CA . 16328 1 125 . 1 1 37 37 GLY N N 15 109.257 0.03 . 1 . . . . 126 GLY N . 16328 1 126 . 1 1 38 38 TYR H H 1 7.768 0.02 . 1 . . . . 127 TYR H . 16328 1 127 . 1 1 38 38 TYR HA H 1 4.407 0.006 . 1 . . . . 127 TYR HA . 16328 1 128 . 1 1 38 38 TYR HB2 H 1 2.926 0.016 . 1 . . . . 127 TYR HB2 . 16328 1 129 . 1 1 38 38 TYR HB3 H 1 2.869 0.015 . 1 . . . . 127 TYR HB3 . 16328 1 130 . 1 1 38 38 TYR HD1 H 1 6.846 0.02 . 3 . . . . 127 TYR HD1 . 16328 1 131 . 1 1 38 38 TYR CA C 13 58.272 0.046 . 1 . . . . 127 TYR CA . 16328 1 132 . 1 1 38 38 TYR CB C 13 39.964 0.08 . 1 . . . . 127 TYR CB . 16328 1 133 . 1 1 38 38 TYR N N 15 117.928 0.038 . 1 . . . . 127 TYR N . 16328 1 134 . 1 1 39 39 MET H H 1 9.092 0.006 . 1 . . . . 128 MET H . 16328 1 135 . 1 1 39 39 MET HA H 1 4.497 0.026 . 1 . . . . 128 MET HA . 16328 1 136 . 1 1 39 39 MET HB2 H 1 1.02 0.013 . 1 . . . . 128 MET HB2 . 16328 1 137 . 1 1 39 39 MET HB3 H 1 1.586 0.008 . 1 . . . . 128 MET HB3 . 16328 1 138 . 1 1 39 39 MET HE1 H 1 1.972 0.006 . 1 . . . . 128 MET HE . 16328 1 139 . 1 1 39 39 MET HE2 H 1 1.972 0.006 . 1 . . . . 128 MET HE . 16328 1 140 . 1 1 39 39 MET HE3 H 1 1.972 0.006 . 1 . . . . 128 MET HE . 16328 1 141 . 1 1 39 39 MET HG2 H 1 2.004 0.004 . 1 . . . . 128 MET HG2 . 16328 1 142 . 1 1 39 39 MET HG3 H 1 2.205 0.02 . 1 . . . . 128 MET HG3 . 16328 1 143 . 1 1 39 39 MET CA C 13 53.662 0.157 . 1 . . . . 128 MET CA . 16328 1 144 . 1 1 39 39 MET CB C 13 34.445 0.106 . 1 . . . . 128 MET CB . 16328 1 145 . 1 1 39 39 MET CE C 13 17.179 0.051 . 1 . . . . 128 MET CE . 16328 1 146 . 1 1 39 39 MET CG C 13 31.817 0.02 . 1 . . . . 128 MET CG . 16328 1 147 . 1 1 39 39 MET N N 15 121.38 0.028 . 1 . . . . 128 MET N . 16328 1 148 . 1 1 40 40 LEU H H 1 8.047 0.006 . 1 . . . . 129 LEU H . 16328 1 149 . 1 1 40 40 LEU HA H 1 4.521 0.018 . 1 . . . . 129 LEU HA . 16328 1 150 . 1 1 40 40 LEU HB2 H 1 0.995 0.019 . 1 . . . . 129 LEU HB2 . 16328 1 151 . 1 1 40 40 LEU HB3 H 1 1.614 0.006 . 1 . . . . 129 LEU HB3 . 16328 1 152 . 1 1 40 40 LEU HD11 H 1 0.605 0.008 . 1 . . . . 129 LEU HD1 . 16328 1 153 . 1 1 40 40 LEU HD12 H 1 0.605 0.008 . 1 . . . . 129 LEU HD1 . 16328 1 154 . 1 1 40 40 LEU HD13 H 1 0.605 0.008 . 1 . . . . 129 LEU HD1 . 16328 1 155 . 1 1 40 40 LEU HD21 H 1 -0.009 0.003 . 1 . . . . 129 LEU HD2 . 16328 1 156 . 1 1 40 40 LEU HD22 H 1 -0.009 0.003 . 1 . . . . 129 LEU HD2 . 16328 1 157 . 1 1 40 40 LEU HD23 H 1 -0.009 0.003 . 1 . . . . 129 LEU HD2 . 16328 1 158 . 1 1 40 40 LEU HG H 1 1.402 0.017 . 1 . . . . 129 LEU HG . 16328 1 159 . 1 1 40 40 LEU CA C 13 53.282 0.02 . 1 . . . . 129 LEU CA . 16328 1 160 . 1 1 40 40 LEU CB C 13 43.596 0.053 . 1 . . . . 129 LEU CB . 16328 1 161 . 1 1 40 40 LEU CD1 C 13 25.66 0.087 . 2 . . . . 129 LEU CD1 . 16328 1 162 . 1 1 40 40 LEU CD2 C 13 21.819 0 . 2 . . . . 129 LEU CD2 . 16328 1 163 . 1 1 40 40 LEU CG C 13 25.886 0.063 . 1 . . . . 129 LEU CG . 16328 1 164 . 1 1 40 40 LEU N N 15 121.425 0.094 . 1 . . . . 129 LEU N . 16328 1 165 . 1 1 41 41 GLY H H 1 9.334 0.007 . 1 . . . . 130 GLY H . 16328 1 166 . 1 1 41 41 GLY HA2 H 1 4.136 0.012 . 1 . . . . 130 GLY HA2 . 16328 1 167 . 1 1 41 41 GLY HA3 H 1 4.429 0.02 . 1 . . . . 130 GLY HA3 . 16328 1 168 . 1 1 41 41 GLY CA C 13 44.997 0.119 . 1 . . . . 130 GLY CA . 16328 1 169 . 1 1 41 41 GLY N N 15 114.989 0.038 . 1 . . . . 130 GLY N . 16328 1 170 . 1 1 42 42 SER H H 1 8.343 0.007 . 1 . . . . 131 SER H . 16328 1 171 . 1 1 42 42 SER HA H 1 4.405 0.008 . 1 . . . . 131 SER HA . 16328 1 172 . 1 1 42 42 SER HB2 H 1 3.957 0.007 . 1 . . . . 131 SER HB2 . 16328 1 173 . 1 1 42 42 SER HB3 H 1 3.924 0.014 . 1 . . . . 131 SER HB3 . 16328 1 174 . 1 1 42 42 SER CA C 13 58.54 0.06 . 1 . . . . 131 SER CA . 16328 1 175 . 1 1 42 42 SER CB C 13 63.971 0.113 . 1 . . . . 131 SER CB . 16328 1 176 . 1 1 42 42 SER N N 15 113.553 0.107 . 1 . . . . 131 SER N . 16328 1 177 . 1 1 43 43 ALA H H 1 8.602 0.008 . 1 . . . . 132 ALA H . 16328 1 178 . 1 1 43 43 ALA HA H 1 4.385 0.009 . 1 . . . . 132 ALA HA . 16328 1 179 . 1 1 43 43 ALA HB1 H 1 1.264 0.008 . 1 . . . . 132 ALA HB . 16328 1 180 . 1 1 43 43 ALA HB2 H 1 1.264 0.008 . 1 . . . . 132 ALA HB . 16328 1 181 . 1 1 43 43 ALA HB3 H 1 1.264 0.008 . 1 . . . . 132 ALA HB . 16328 1 182 . 1 1 43 43 ALA CA C 13 52.943 0.039 . 1 . . . . 132 ALA CA . 16328 1 183 . 1 1 43 43 ALA CB C 13 18.304 0.089 . 1 . . . . 132 ALA CB . 16328 1 184 . 1 1 43 43 ALA N N 15 124.849 0.041 . 1 . . . . 132 ALA N . 16328 1 185 . 1 1 44 44 MET H H 1 8.823 0.01 . 1 . . . . 133 MET H . 16328 1 186 . 1 1 44 44 MET HA H 1 4.736 0.017 . 1 . . . . 133 MET HA . 16328 1 187 . 1 1 44 44 MET HB2 H 1 1.956 0.01 . 1 . . . . 133 MET HB2 . 16328 1 188 . 1 1 44 44 MET HB3 H 1 2.075 0.014 . 1 . . . . 133 MET HB3 . 16328 1 189 . 1 1 44 44 MET HE1 H 1 1.896 0.017 . 1 . . . . 133 MET HE . 16328 1 190 . 1 1 44 44 MET HE2 H 1 1.896 0.017 . 1 . . . . 133 MET HE . 16328 1 191 . 1 1 44 44 MET HE3 H 1 1.896 0.017 . 1 . . . . 133 MET HE . 16328 1 192 . 1 1 44 44 MET HG2 H 1 2.526 0.022 . 1 . . . . 133 MET HG2 . 16328 1 193 . 1 1 44 44 MET HG3 H 1 2.448 0.013 . 1 . . . . 133 MET HG3 . 16328 1 194 . 1 1 44 44 MET CA C 13 53.888 0.094 . 1 . . . . 133 MET CA . 16328 1 195 . 1 1 44 44 MET CB C 13 36.668 0.13 . 1 . . . . 133 MET CB . 16328 1 196 . 1 1 44 44 MET CE C 13 16.613 0.013 . 1 . . . . 133 MET CE . 16328 1 197 . 1 1 44 44 MET CG C 13 31.218 0.044 . 1 . . . . 133 MET CG . 16328 1 198 . 1 1 44 44 MET N N 15 121.763 0.035 . 1 . . . . 133 MET N . 16328 1 199 . 1 1 45 45 SER H H 1 8.429 0.004 . 1 . . . . 134 SER H . 16328 1 200 . 1 1 45 45 SER HA H 1 4.339 0.009 . 1 . . . . 134 SER HA . 16328 1 201 . 1 1 45 45 SER HB2 H 1 3.806 0.026 . 1 . . . . 134 SER HB2 . 16328 1 202 . 1 1 45 45 SER HB3 H 1 3.717 0.026 . 1 . . . . 134 SER HB3 . 16328 1 203 . 1 1 45 45 SER CA C 13 58.634 0.087 . 1 . . . . 134 SER CA . 16328 1 204 . 1 1 45 45 SER CB C 13 62.999 0.089 . 1 . . . . 134 SER CB . 16328 1 205 . 1 1 45 45 SER N N 15 116.318 0.071 . 1 . . . . 134 SER N . 16328 1 206 . 1 1 46 46 ARG H H 1 8.596 0.003 . 1 . . . . 135 ARG H . 16328 1 207 . 1 1 46 46 ARG HA H 1 4.383 0.012 . 1 . . . . 135 ARG HA . 16328 1 208 . 1 1 46 46 ARG HB2 H 1 1.807 0.002 . 1 . . . . 135 ARG HB2 . 16328 1 209 . 1 1 46 46 ARG HB3 H 1 1.855 0.016 . 1 . . . . 135 ARG HB3 . 16328 1 210 . 1 1 46 46 ARG HD2 H 1 3.134 0.028 . 1 . . . . 135 ARG HD2 . 16328 1 211 . 1 1 46 46 ARG HD3 H 1 3.03 0.015 . 1 . . . . 135 ARG HD3 . 16328 1 212 . 1 1 46 46 ARG HG2 H 1 1.754 0.002 . 2 . . . . 135 ARG HG2 . 16328 1 213 . 1 1 46 46 ARG CA C 13 54.91 0.012 . 1 . . . . 135 ARG CA . 16328 1 214 . 1 1 46 46 ARG CB C 13 28.881 0.112 . 1 . . . . 135 ARG CB . 16328 1 215 . 1 1 46 46 ARG CD C 13 43.923 0.031 . 1 . . . . 135 ARG CD . 16328 1 216 . 1 1 46 46 ARG N N 15 126.099 0.067 . 1 . . . . 135 ARG N . 16328 1 217 . 1 1 47 47 PRO HA H 1 4.389 0.014 . 1 . . . . 136 PRO HA . 16328 1 218 . 1 1 47 47 PRO HB2 H 1 1.77 0.006 . 1 . . . . 136 PRO HB2 . 16328 1 219 . 1 1 47 47 PRO HB3 H 1 2.247 0.034 . 1 . . . . 136 PRO HB3 . 16328 1 220 . 1 1 47 47 PRO HD2 H 1 3.643 0.01 . 1 . . . . 136 PRO HD2 . 16328 1 221 . 1 1 47 47 PRO HD3 H 1 3.813 0.072 . 1 . . . . 136 PRO HD3 . 16328 1 222 . 1 1 47 47 PRO HG2 H 1 2.041 0.019 . 1 . . . . 136 PRO HG2 . 16328 1 223 . 1 1 47 47 PRO HG3 H 1 1.778 0.007 . 1 . . . . 136 PRO HG3 . 16328 1 224 . 1 1 47 47 PRO CA C 13 62.452 0.054 . 1 . . . . 136 PRO CA . 16328 1 225 . 1 1 47 47 PRO CB C 13 32.209 0.103 . 1 . . . . 136 PRO CB . 16328 1 226 . 1 1 47 47 PRO CD C 13 50.632 0.06 . 1 . . . . 136 PRO CD . 16328 1 227 . 1 1 47 47 PRO CG C 13 27.527 0.097 . 1 . . . . 136 PRO CG . 16328 1 228 . 1 1 48 48 LEU H H 1 8.664 0.007 . 1 . . . . 137 LEU H . 16328 1 229 . 1 1 48 48 LEU HA H 1 4.556 0.011 . 1 . . . . 137 LEU HA . 16328 1 230 . 1 1 48 48 LEU HB2 H 1 1.538 0.031 . 1 . . . . 137 LEU HB2 . 16328 1 231 . 1 1 48 48 LEU HB3 H 1 1.682 0.023 . 1 . . . . 137 LEU HB3 . 16328 1 232 . 1 1 48 48 LEU HD11 H 1 0.907 0.007 . 1 . . . . 137 LEU HD1 . 16328 1 233 . 1 1 48 48 LEU HD12 H 1 0.907 0.007 . 1 . . . . 137 LEU HD1 . 16328 1 234 . 1 1 48 48 LEU HD13 H 1 0.907 0.007 . 1 . . . . 137 LEU HD1 . 16328 1 235 . 1 1 48 48 LEU HD21 H 1 0.87 0.006 . 1 . . . . 137 LEU HD2 . 16328 1 236 . 1 1 48 48 LEU HD22 H 1 0.87 0.006 . 1 . . . . 137 LEU HD2 . 16328 1 237 . 1 1 48 48 LEU HD23 H 1 0.87 0.006 . 1 . . . . 137 LEU HD2 . 16328 1 238 . 1 1 48 48 LEU HG H 1 1.626 0.032 . 1 . . . . 137 LEU HG . 16328 1 239 . 1 1 48 48 LEU CA C 13 54.281 0.11 . 1 . . . . 137 LEU CA . 16328 1 240 . 1 1 48 48 LEU CB C 13 40.213 0.041 . 1 . . . . 137 LEU CB . 16328 1 241 . 1 1 48 48 LEU CD1 C 13 24.689 0 . 2 . . . . 137 LEU CD1 . 16328 1 242 . 1 1 48 48 LEU CD2 C 13 23.462 0.105 . 2 . . . . 137 LEU CD2 . 16328 1 243 . 1 1 48 48 LEU CG C 13 27.11 0 . 1 . . . . 137 LEU CG . 16328 1 244 . 1 1 48 48 LEU N N 15 125.044 0.053 . 1 . . . . 137 LEU N . 16328 1 245 . 1 1 49 49 ILE H H 1 6.973 0.005 . 1 . . . . 138 ILE H . 16328 1 246 . 1 1 49 49 ILE HA H 1 3.929 0.016 . 1 . . . . 138 ILE HA . 16328 1 247 . 1 1 49 49 ILE HB H 1 1.149 0.034 . 1 . . . . 138 ILE HB . 16328 1 248 . 1 1 49 49 ILE HD11 H 1 0.401 0.014 . 1 . . . . 138 ILE HD1 . 16328 1 249 . 1 1 49 49 ILE HD12 H 1 0.401 0.014 . 1 . . . . 138 ILE HD1 . 16328 1 250 . 1 1 49 49 ILE HD13 H 1 0.401 0.014 . 1 . . . . 138 ILE HD1 . 16328 1 251 . 1 1 49 49 ILE HG12 H 1 0.879 0.006 . 1 . . . . 138 ILE HG12 . 16328 1 252 . 1 1 49 49 ILE HG13 H 1 0.699 0.008 . 1 . . . . 138 ILE HG13 . 16328 1 253 . 1 1 49 49 ILE HG21 H 1 0.036 0.003 . 1 . . . . 138 ILE HG2 . 16328 1 254 . 1 1 49 49 ILE HG22 H 1 0.036 0.003 . 1 . . . . 138 ILE HG2 . 16328 1 255 . 1 1 49 49 ILE HG23 H 1 0.036 0.003 . 1 . . . . 138 ILE HG2 . 16328 1 256 . 1 1 49 49 ILE CA C 13 59.484 0.054 . 1 . . . . 138 ILE CA . 16328 1 257 . 1 1 49 49 ILE CB C 13 39.716 0.088 . 1 . . . . 138 ILE CB . 16328 1 258 . 1 1 49 49 ILE CD1 C 13 13.18 0.007 . 1 . . . . 138 ILE CD1 . 16328 1 259 . 1 1 49 49 ILE CG1 C 13 26.634 0.034 . 1 . . . . 138 ILE CG1 . 16328 1 260 . 1 1 49 49 ILE CG2 C 13 16.919 0.034 . 1 . . . . 138 ILE CG2 . 16328 1 261 . 1 1 49 49 ILE N N 15 122.356 0.032 . 1 . . . . 138 ILE N . 16328 1 262 . 1 1 50 50 HIS H H 1 8.296 0.006 . 1 . . . . 139 HIS H . 16328 1 263 . 1 1 50 50 HIS HA H 1 4.929 0.01 . 1 . . . . 139 HIS HA . 16328 1 264 . 1 1 50 50 HIS HB2 H 1 2.984 0.017 . 1 . . . . 139 HIS HB2 . 16328 1 265 . 1 1 50 50 HIS HB3 H 1 3.273 0.017 . 1 . . . . 139 HIS HB3 . 16328 1 266 . 1 1 50 50 HIS HD1 H 1 12.632 0.003 . 1 . . . . 139 HIS HD1 . 16328 1 267 . 1 1 50 50 HIS HE1 H 1 7.252 0 . 1 . . . . 139 HIS HE1 . 16328 1 268 . 1 1 50 50 HIS CA C 13 54.177 0.072 . 1 . . . . 139 HIS CA . 16328 1 269 . 1 1 50 50 HIS CB C 13 29.344 0.072 . 1 . . . . 139 HIS CB . 16328 1 270 . 1 1 50 50 HIS N N 15 121.999 0.068 . 1 . . . . 139 HIS N . 16328 1 271 . 1 1 51 51 PHE H H 1 10.346 0.005 . 1 . . . . 140 PHE H . 16328 1 272 . 1 1 51 51 PHE HA H 1 4.217 0.028 . 1 . . . . 140 PHE HA . 16328 1 273 . 1 1 51 51 PHE HB2 H 1 2.838 0.019 . 1 . . . . 140 PHE HB2 . 16328 1 274 . 1 1 51 51 PHE HB3 H 1 3.336 0.033 . 1 . . . . 140 PHE HB3 . 16328 1 275 . 1 1 51 51 PHE HD1 H 1 7.373 0.016 . 1 . . . . 140 PHE HD1 . 16328 1 276 . 1 1 51 51 PHE HD2 H 1 7.373 0.016 . 1 . . . . 140 PHE HD2 . 16328 1 277 . 1 1 51 51 PHE HE2 H 1 6.938 0.013 . 3 . . . . 140 PHE HE2 . 16328 1 278 . 1 1 51 51 PHE HZ H 1 7.271 0.014 . 1 . . . . 140 PHE HZ . 16328 1 279 . 1 1 51 51 PHE CA C 13 59.802 0.164 . 1 . . . . 140 PHE CA . 16328 1 280 . 1 1 51 51 PHE CB C 13 40.226 0.024 . 1 . . . . 140 PHE CB . 16328 1 281 . 1 1 51 51 PHE N N 15 125.148 0.025 . 1 . . . . 140 PHE N . 16328 1 282 . 1 1 52 52 GLY H H 1 9.018 0.005 . 1 . . . . 141 GLY H . 16328 1 283 . 1 1 52 52 GLY HA2 H 1 3.707 0.006 . 1 . . . . 141 GLY HA2 . 16328 1 284 . 1 1 52 52 GLY HA3 H 1 4.114 0.001 . 1 . . . . 141 GLY HA3 . 16328 1 285 . 1 1 52 52 GLY CA C 13 45.75 0.037 . 1 . . . . 141 GLY CA . 16328 1 286 . 1 1 52 52 GLY N N 15 108.836 0.032 . 1 . . . . 141 GLY N . 16328 1 287 . 1 1 53 53 ASN H H 1 7.228 0.007 . 1 . . . . 142 ASN H . 16328 1 288 . 1 1 53 53 ASN HA H 1 4.858 0.009 . 1 . . . . 142 ASN HA . 16328 1 289 . 1 1 53 53 ASN HB2 H 1 2.851 0.018 . 1 . . . . 142 ASN HB2 . 16328 1 290 . 1 1 53 53 ASN HB3 H 1 2.793 0.036 . 1 . . . . 142 ASN HB3 . 16328 1 291 . 1 1 53 53 ASN CA C 13 52.634 0.069 . 1 . . . . 142 ASN CA . 16328 1 292 . 1 1 53 53 ASN CB C 13 41.523 0.081 . 1 . . . . 142 ASN CB . 16328 1 293 . 1 1 53 53 ASN N N 15 114.629 0.074 . 1 . . . . 142 ASN N . 16328 1 294 . 1 1 54 54 ASP H H 1 8.968 0.007 . 1 . . . . 143 ASP H . 16328 1 295 . 1 1 54 54 ASP HA H 1 4.429 0.015 . 1 . . . . 143 ASP HA . 16328 1 296 . 1 1 54 54 ASP HB2 H 1 2.718 0.002 . 1 . . . . 143 ASP HB2 . 16328 1 297 . 1 1 54 54 ASP HB3 H 1 2.846 0.004 . 1 . . . . 143 ASP HB3 . 16328 1 298 . 1 1 54 54 ASP CA C 13 57.714 0.128 . 1 . . . . 143 ASP CA . 16328 1 299 . 1 1 54 54 ASP CB C 13 41.097 0.042 . 1 . . . . 143 ASP CB . 16328 1 300 . 1 1 54 54 ASP N N 15 123.768 0.045 . 1 . . . . 143 ASP N . 16328 1 301 . 1 1 55 55 TYR H H 1 8.356 0.006 . 1 . . . . 144 TYR H . 16328 1 302 . 1 1 55 55 TYR HA H 1 4.215 0.008 . 1 . . . . 144 TYR HA . 16328 1 303 . 1 1 55 55 TYR HB2 H 1 3.043 0.016 . 1 . . . . 144 TYR HB2 . 16328 1 304 . 1 1 55 55 TYR HB3 H 1 3.221 0.008 . 1 . . . . 144 TYR HB3 . 16328 1 305 . 1 1 55 55 TYR HD1 H 1 7.08 0.008 . 3 . . . . 144 TYR HD1 . 16328 1 306 . 1 1 55 55 TYR CA C 13 61.755 0.182 . 1 . . . . 144 TYR CA . 16328 1 307 . 1 1 55 55 TYR CB C 13 37.613 0.025 . 1 . . . . 144 TYR CB . 16328 1 308 . 1 1 55 55 TYR N N 15 120.11 0.055 . 1 . . . . 144 TYR N . 16328 1 309 . 1 1 56 56 GLU H H 1 8.317 0.007 . 1 . . . . 145 GLU H . 16328 1 310 . 1 1 56 56 GLU HA H 1 3.53 0.017 . 1 . . . . 145 GLU HA . 16328 1 311 . 1 1 56 56 GLU HB2 H 1 1.383 0.013 . 1 . . . . 145 GLU HB2 . 16328 1 312 . 1 1 56 56 GLU HB3 H 1 1.884 0.013 . 1 . . . . 145 GLU HB3 . 16328 1 313 . 1 1 56 56 GLU HG2 H 1 1.843 0.007 . 1 . . . . 145 GLU HG2 . 16328 1 314 . 1 1 56 56 GLU HG3 H 1 2.469 0.018 . 1 . . . . 145 GLU HG3 . 16328 1 315 . 1 1 56 56 GLU CA C 13 59.786 0.013 . 1 . . . . 145 GLU CA . 16328 1 316 . 1 1 56 56 GLU CB C 13 29.537 0.177 . 1 . . . . 145 GLU CB . 16328 1 317 . 1 1 56 56 GLU CG C 13 37.956 0.278 . 1 . . . . 145 GLU CG . 16328 1 318 . 1 1 56 56 GLU N N 15 119.541 0.079 . 1 . . . . 145 GLU N . 16328 1 319 . 1 1 57 57 ASP H H 1 8.043 0.006 . 1 . . . . 146 ASP H . 16328 1 320 . 1 1 57 57 ASP HA H 1 4.669 0.021 . 1 . . . . 146 ASP HA . 16328 1 321 . 1 1 57 57 ASP HB2 H 1 2.722 0.005 . 1 . . . . 146 ASP HB2 . 16328 1 322 . 1 1 57 57 ASP HB3 H 1 2.924 0.02 . 1 . . . . 146 ASP HB3 . 16328 1 323 . 1 1 57 57 ASP CA C 13 58.581 0.067 . 1 . . . . 146 ASP CA . 16328 1 324 . 1 1 57 57 ASP CB C 13 41.15 0.183 . 1 . . . . 146 ASP CB . 16328 1 325 . 1 1 57 57 ASP N N 15 118.238 0.051 . 1 . . . . 146 ASP N . 16328 1 326 . 1 1 58 58 ARG H H 1 8.065 0.005 . 1 . . . . 147 ARG H . 16328 1 327 . 1 1 58 58 ARG HA H 1 3.999 0.009 . 1 . . . . 147 ARG HA . 16328 1 328 . 1 1 58 58 ARG HB3 H 1 1.92 0.006 . 1 . . . . 147 ARG HB3 . 16328 1 329 . 1 1 58 58 ARG HD3 H 1 3.197 0.015 . 1 . . . . 147 ARG HD3 . 16328 1 330 . 1 1 58 58 ARG HG2 H 1 1.541 0.034 . 1 . . . . 147 ARG HG2 . 16328 1 331 . 1 1 58 58 ARG HG3 H 1 1.736 0.011 . 1 . . . . 147 ARG HG3 . 16328 1 332 . 1 1 58 58 ARG CA C 13 59.497 0.034 . 1 . . . . 147 ARG CA . 16328 1 333 . 1 1 58 58 ARG CB C 13 29.72 0.001 . 1 . . . . 147 ARG CB . 16328 1 334 . 1 1 58 58 ARG CG C 13 27.69 0.105 . 1 . . . . 147 ARG CG . 16328 1 335 . 1 1 58 58 ARG N N 15 120.033 0.051 . 1 . . . . 147 ARG N . 16328 1 336 . 1 1 59 59 TYR H H 1 8.441 0.005 . 1 . . . . 148 TYR H . 16328 1 337 . 1 1 59 59 TYR HA H 1 3.843 0.012 . 1 . . . . 148 TYR HA . 16328 1 338 . 1 1 59 59 TYR HB2 H 1 2.568 0.024 . 1 . . . . 148 TYR HB2 . 16328 1 339 . 1 1 59 59 TYR HB3 H 1 2.748 0.017 . 1 . . . . 148 TYR HB3 . 16328 1 340 . 1 1 59 59 TYR HD1 H 1 6.854 0.011 . 1 . . . . 148 TYR HD1 . 16328 1 341 . 1 1 59 59 TYR HD2 H 1 6.854 0.011 . 1 . . . . 148 TYR HD2 . 16328 1 342 . 1 1 59 59 TYR HE1 H 1 6.893 0.016 . 3 . . . . 148 TYR HE1 . 16328 1 343 . 1 1 59 59 TYR CA C 13 62.005 0.044 . 1 . . . . 148 TYR CA . 16328 1 344 . 1 1 59 59 TYR CB C 13 38.563 0.043 . 1 . . . . 148 TYR CB . 16328 1 345 . 1 1 59 59 TYR N N 15 121.153 0.044 . 1 . . . . 148 TYR N . 16328 1 346 . 1 1 60 60 TYR H H 1 8.824 0.005 . 1 . . . . 149 TYR H . 16328 1 347 . 1 1 60 60 TYR HA H 1 4.276 0.02 . 1 . . . . 149 TYR HA . 16328 1 348 . 1 1 60 60 TYR HB3 H 1 3.226 0.009 . 1 . . . . 149 TYR HB3 . 16328 1 349 . 1 1 60 60 TYR HD1 H 1 6.868 0.035 . 3 . . . . 149 TYR HD1 . 16328 1 350 . 1 1 60 60 TYR HE2 H 1 7.323 0 . 3 . . . . 149 TYR HE2 . 16328 1 351 . 1 1 60 60 TYR CA C 13 61.341 0.136 . 1 . . . . 149 TYR CA . 16328 1 352 . 1 1 60 60 TYR CB C 13 38.527 0.047 . 1 . . . . 149 TYR CB . 16328 1 353 . 1 1 60 60 TYR N N 15 119.254 0.055 . 1 . . . . 149 TYR N . 16328 1 354 . 1 1 61 61 ARG H H 1 7.636 0.006 . 1 . . . . 150 ARG H . 16328 1 355 . 1 1 61 61 ARG HA H 1 3.527 0.109 . 1 . . . . 150 ARG HA . 16328 1 356 . 1 1 61 61 ARG HB3 H 1 1.932 0.013 . 1 . . . . 150 ARG HB3 . 16328 1 357 . 1 1 61 61 ARG HD3 H 1 3.259 0 . 1 . . . . 150 ARG HD3 . 16328 1 358 . 1 1 61 61 ARG HG2 H 1 1.671 0.015 . 2 . . . . 150 ARG HG2 . 16328 1 359 . 1 1 61 61 ARG CA C 13 59.78 0.003 . 1 . . . . 150 ARG CA . 16328 1 360 . 1 1 61 61 ARG CB C 13 29.548 0.151 . 1 . . . . 150 ARG CB . 16328 1 361 . 1 1 61 61 ARG CD C 13 43.44 0 . 1 . . . . 150 ARG CD . 16328 1 362 . 1 1 61 61 ARG CG C 13 28.173 0 . 1 . . . . 150 ARG CG . 16328 1 363 . 1 1 61 61 ARG N N 15 116.633 0.04 . 1 . . . . 150 ARG N . 16328 1 364 . 1 1 62 62 GLU H H 1 7.95 0.006 . 1 . . . . 151 GLU H . 16328 1 365 . 1 1 62 62 GLU HA H 1 4.058 0.017 . 1 . . . . 151 GLU HA . 16328 1 366 . 1 1 62 62 GLU HB2 H 1 1.827 0.003 . 1 . . . . 151 GLU HB2 . 16328 1 367 . 1 1 62 62 GLU HB3 H 1 1.959 0.014 . 1 . . . . 151 GLU HB3 . 16328 1 368 . 1 1 62 62 GLU HG2 H 1 2.344 0.092 . 1 . . . . 151 GLU HG2 . 16328 1 369 . 1 1 62 62 GLU HG3 H 1 2.296 0.031 . 1 . . . . 151 GLU HG3 . 16328 1 370 . 1 1 62 62 GLU CA C 13 57.826 0.248 . 1 . . . . 151 GLU CA . 16328 1 371 . 1 1 62 62 GLU CB C 13 30.277 0.326 . 1 . . . . 151 GLU CB . 16328 1 372 . 1 1 62 62 GLU CG C 13 36.181 0.069 . 1 . . . . 151 GLU CG . 16328 1 373 . 1 1 62 62 GLU N N 15 115.576 0.047 . 1 . . . . 151 GLU N . 16328 1 374 . 1 1 63 63 ASN H H 1 7.553 0.006 . 1 . . . . 152 ASN H . 16328 1 375 . 1 1 63 63 ASN HA H 1 4.596 0.022 . 1 . . . . 152 ASN HA . 16328 1 376 . 1 1 63 63 ASN HB2 H 1 2.337 0 . 1 . . . . 152 ASN HB2 . 16328 1 377 . 1 1 63 63 ASN HB3 H 1 2.272 0 . 1 . . . . 152 ASN HB3 . 16328 1 378 . 1 1 63 63 ASN HD21 H 1 6.717 0.042 . 2 . . . . 152 ASN HD21 . 16328 1 379 . 1 1 63 63 ASN HD22 H 1 6.545 0 . 2 . . . . 152 ASN HD22 . 16328 1 380 . 1 1 63 63 ASN CA C 13 54.437 0.065 . 1 . . . . 152 ASN CA . 16328 1 381 . 1 1 63 63 ASN CB C 13 40.772 0.105 . 1 . . . . 152 ASN CB . 16328 1 382 . 1 1 63 63 ASN N N 15 115.294 0.037 . 1 . . . . 152 ASN N . 16328 1 383 . 1 1 64 64 MET H H 1 7.492 0.004 . 1 . . . . 153 MET H . 16328 1 384 . 1 1 64 64 MET HA H 1 3.675 0.009 . 1 . . . . 153 MET HA . 16328 1 385 . 1 1 64 64 MET HB2 H 1 1.796 0.007 . 1 . . . . 153 MET HB2 . 16328 1 386 . 1 1 64 64 MET HB3 H 1 1.611 0.012 . 1 . . . . 153 MET HB3 . 16328 1 387 . 1 1 64 64 MET HE1 H 1 1.825 0.012 . 1 . . . . 153 MET HE . 16328 1 388 . 1 1 64 64 MET HE2 H 1 1.825 0.012 . 1 . . . . 153 MET HE . 16328 1 389 . 1 1 64 64 MET HE3 H 1 1.825 0.012 . 1 . . . . 153 MET HE . 16328 1 390 . 1 1 64 64 MET HG2 H 1 2.093 0.008 . 2 . . . . 153 MET HG2 . 16328 1 391 . 1 1 64 64 MET CA C 13 59.799 0.052 . 1 . . . . 153 MET CA . 16328 1 392 . 1 1 64 64 MET CB C 13 32.467 0.07 . 1 . . . . 153 MET CB . 16328 1 393 . 1 1 64 64 MET CE C 13 16.672 0.097 . 1 . . . . 153 MET CE . 16328 1 394 . 1 1 64 64 MET CG C 13 30.594 0 . 1 . . . . 153 MET CG . 16328 1 395 . 1 1 64 64 MET N N 15 118.844 0.046 . 1 . . . . 153 MET N . 16328 1 396 . 1 1 65 65 TYR H H 1 7.628 0.007 . 1 . . . . 154 TYR H . 16328 1 397 . 1 1 65 65 TYR HA H 1 4.227 0.012 . 1 . . . . 154 TYR HA . 16328 1 398 . 1 1 65 65 TYR HB2 H 1 2.96 0.001 . 1 . . . . 154 TYR HB2 . 16328 1 399 . 1 1 65 65 TYR HB3 H 1 3.028 0.013 . 1 . . . . 154 TYR HB3 . 16328 1 400 . 1 1 65 65 TYR HD1 H 1 7.102 0.014 . 3 . . . . 154 TYR HD1 . 16328 1 401 . 1 1 65 65 TYR HE1 H 1 6.933 0.007 . 3 . . . . 154 TYR HE1 . 16328 1 402 . 1 1 65 65 TYR HE2 H 1 7.353 0.012 . 3 . . . . 154 TYR HE2 . 16328 1 403 . 1 1 65 65 TYR CA C 13 59.173 0.015 . 1 . . . . 154 TYR CA . 16328 1 404 . 1 1 65 65 TYR CB C 13 36.42 0.052 . 1 . . . . 154 TYR CB . 16328 1 405 . 1 1 65 65 TYR N N 15 114.481 0.03 . 1 . . . . 154 TYR N . 16328 1 406 . 1 1 66 66 ARG H H 1 7.602 0.004 . 1 . . . . 155 ARG H . 16328 1 407 . 1 1 66 66 ARG HA H 1 4.014 0.016 . 1 . . . . 155 ARG HA . 16328 1 408 . 1 1 66 66 ARG HB2 H 1 1.986 0.002 . 1 . . . . 155 ARG HB2 . 16328 1 409 . 1 1 66 66 ARG HB3 H 1 1.777 0.002 . 1 . . . . 155 ARG HB3 . 16328 1 410 . 1 1 66 66 ARG HD2 H 1 3.107 0.038 . 1 . . . . 155 ARG HD2 . 16328 1 411 . 1 1 66 66 ARG HD3 H 1 3.179 0.016 . 1 . . . . 155 ARG HD3 . 16328 1 412 . 1 1 66 66 ARG HE H 1 6.882 0.004 . 1 . . . . 155 ARG HE . 16328 1 413 . 1 1 66 66 ARG HG2 H 1 1.321 0.068 . 1 . . . . 155 ARG HG2 . 16328 1 414 . 1 1 66 66 ARG HG3 H 1 1.395 0.154 . 1 . . . . 155 ARG HG3 . 16328 1 415 . 1 1 66 66 ARG CA C 13 56.664 0.049 . 1 . . . . 155 ARG CA . 16328 1 416 . 1 1 66 66 ARG CB C 13 30.737 0.007 . 1 . . . . 155 ARG CB . 16328 1 417 . 1 1 66 66 ARG CD C 13 44.18 0.043 . 1 . . . . 155 ARG CD . 16328 1 418 . 1 1 66 66 ARG CG C 13 27.162 0.159 . 1 . . . . 155 ARG CG . 16328 1 419 . 1 1 66 66 ARG N N 15 118.696 0.043 . 1 . . . . 155 ARG N . 16328 1 420 . 1 1 67 67 TYR H H 1 7.32 0.008 . 1 . . . . 156 TYR H . 16328 1 421 . 1 1 67 67 TYR HA H 1 4.978 0.017 . 1 . . . . 156 TYR HA . 16328 1 422 . 1 1 67 67 TYR HB2 H 1 2.97 0.015 . 1 . . . . 156 TYR HB2 . 16328 1 423 . 1 1 67 67 TYR HB3 H 1 3.183 0.002 . 1 . . . . 156 TYR HB3 . 16328 1 424 . 1 1 67 67 TYR HD1 H 1 7.033 0.025 . 3 . . . . 156 TYR HD1 . 16328 1 425 . 1 1 67 67 TYR HD2 H 1 7.316 0 . 3 . . . . 156 TYR HD2 . 16328 1 426 . 1 1 67 67 TYR CA C 13 53.672 0.203 . 1 . . . . 156 TYR CA . 16328 1 427 . 1 1 67 67 TYR CB C 13 38.31 2.231 . 1 . . . . 156 TYR CB . 16328 1 428 . 1 1 67 67 TYR N N 15 119.564 0.063 . 1 . . . . 156 TYR N . 16328 1 429 . 1 1 68 68 PRO HA H 1 4.401 0.019 . 1 . . . . 157 PRO HA . 16328 1 430 . 1 1 68 68 PRO HB2 H 1 1.714 0.011 . 1 . . . . 157 PRO HB2 . 16328 1 431 . 1 1 68 68 PRO HB3 H 1 2.376 0.003 . 1 . . . . 157 PRO HB3 . 16328 1 432 . 1 1 68 68 PRO HD2 H 1 3.829 0.006 . 1 . . . . 157 PRO HD2 . 16328 1 433 . 1 1 68 68 PRO HD3 H 1 3.547 0.148 . 1 . . . . 157 PRO HD3 . 16328 1 434 . 1 1 68 68 PRO HG2 H 1 2.018 0.005 . 1 . . . . 157 PRO HG2 . 16328 1 435 . 1 1 68 68 PRO HG3 H 1 1.754 0.023 . 1 . . . . 157 PRO HG3 . 16328 1 436 . 1 1 68 68 PRO CA C 13 63.459 0.041 . 1 . . . . 157 PRO CA . 16328 1 437 . 1 1 68 68 PRO CB C 13 32.387 0.065 . 1 . . . . 157 PRO CB . 16328 1 438 . 1 1 68 68 PRO CD C 13 50.668 0.176 . 1 . . . . 157 PRO CD . 16328 1 439 . 1 1 68 68 PRO CG C 13 27.392 0.075 . 1 . . . . 157 PRO CG . 16328 1 440 . 1 1 69 69 ASN H H 1 8.473 0.005 . 1 . . . . 158 ASN H . 16328 1 441 . 1 1 69 69 ASN HA H 1 4.72 0.017 . 1 . . . . 158 ASN HA . 16328 1 442 . 1 1 69 69 ASN HB2 H 1 3.646 0.011 . 1 . . . . 158 ASN HB2 . 16328 1 443 . 1 1 69 69 ASN HB3 H 1 2.426 0.008 . 1 . . . . 158 ASN HB3 . 16328 1 444 . 1 1 69 69 ASN CA C 13 51.835 0.121 . 1 . . . . 158 ASN CA . 16328 1 445 . 1 1 69 69 ASN CB C 13 38.273 0.055 . 1 . . . . 158 ASN CB . 16328 1 446 . 1 1 69 69 ASN N N 15 115.721 0.057 . 1 . . . . 158 ASN N . 16328 1 447 . 1 1 70 70 GLN H H 1 7.188 0.007 . 1 . . . . 159 GLN H . 16328 1 448 . 1 1 70 70 GLN HA H 1 4.585 0.016 . 1 . . . . 159 GLN HA . 16328 1 449 . 1 1 70 70 GLN HB2 H 1 2.135 0.015 . 1 . . . . 159 GLN HB2 . 16328 1 450 . 1 1 70 70 GLN HB3 H 1 2.01 0.013 . 1 . . . . 159 GLN HB3 . 16328 1 451 . 1 1 70 70 GLN HE21 H 1 6.763 0 . 2 . . . . 159 GLN HE21 . 16328 1 452 . 1 1 70 70 GLN HG2 H 1 2.375 0.021 . 1 . . . . 159 GLN HG2 . 16328 1 453 . 1 1 70 70 GLN HG3 H 1 2.375 0.021 . 1 . . . . 159 GLN HG3 . 16328 1 454 . 1 1 70 70 GLN CA C 13 54.195 0.052 . 1 . . . . 159 GLN CA . 16328 1 455 . 1 1 70 70 GLN CB C 13 34.185 0.104 . 1 . . . . 159 GLN CB . 16328 1 456 . 1 1 70 70 GLN N N 15 114.047 0.045 . 1 . . . . 159 GLN N . 16328 1 457 . 1 1 71 71 VAL H H 1 8.521 0.008 . 1 . . . . 160 VAL H . 16328 1 458 . 1 1 71 71 VAL HA H 1 4.924 0.011 . 1 . . . . 160 VAL HA . 16328 1 459 . 1 1 71 71 VAL HB H 1 2.608 0.004 . 1 . . . . 160 VAL HB . 16328 1 460 . 1 1 71 71 VAL HG11 H 1 0.942 0.01 . 1 . . . . 160 VAL HG1 . 16328 1 461 . 1 1 71 71 VAL HG12 H 1 0.942 0.01 . 1 . . . . 160 VAL HG1 . 16328 1 462 . 1 1 71 71 VAL HG13 H 1 0.942 0.01 . 1 . . . . 160 VAL HG1 . 16328 1 463 . 1 1 71 71 VAL HG21 H 1 0.757 0.01 . 1 . . . . 160 VAL HG2 . 16328 1 464 . 1 1 71 71 VAL HG22 H 1 0.757 0.01 . 1 . . . . 160 VAL HG2 . 16328 1 465 . 1 1 71 71 VAL HG23 H 1 0.757 0.01 . 1 . . . . 160 VAL HG2 . 16328 1 466 . 1 1 71 71 VAL CA C 13 58.585 0.067 . 1 . . . . 160 VAL CA . 16328 1 467 . 1 1 71 71 VAL CB C 13 33.8 0.06 . 1 . . . . 160 VAL CB . 16328 1 468 . 1 1 71 71 VAL CG1 C 13 23.415 0 . 2 . . . . 160 VAL CG1 . 16328 1 469 . 1 1 71 71 VAL CG2 C 13 18.505 0.065 . 2 . . . . 160 VAL CG2 . 16328 1 470 . 1 1 71 71 VAL N N 15 112.854 0.074 . 1 . . . . 160 VAL N . 16328 1 471 . 1 1 72 72 TYR H H 1 8.423 0.008 . 1 . . . . 161 TYR H . 16328 1 472 . 1 1 72 72 TYR HA H 1 5.578 0.012 . 1 . . . . 161 TYR HA . 16328 1 473 . 1 1 72 72 TYR HB2 H 1 2.636 0.015 . 1 . . . . 161 TYR HB2 . 16328 1 474 . 1 1 72 72 TYR HB3 H 1 2.584 0.013 . 1 . . . . 161 TYR HB3 . 16328 1 475 . 1 1 72 72 TYR HD1 H 1 6.913 0.021 . 3 . . . . 161 TYR HD1 . 16328 1 476 . 1 1 72 72 TYR HD2 H 1 6.652 0.013 . 3 . . . . 161 TYR HD2 . 16328 1 477 . 1 1 72 72 TYR HE1 H 1 6.33 0.014 . 3 . . . . 161 TYR HE1 . 16328 1 478 . 1 1 72 72 TYR HE2 H 1 6.856 0.011 . 3 . . . . 161 TYR HE2 . 16328 1 479 . 1 1 72 72 TYR CA C 13 57.105 0.212 . 1 . . . . 161 TYR CA . 16328 1 480 . 1 1 72 72 TYR CB C 13 41.841 0.061 . 1 . . . . 161 TYR CB . 16328 1 481 . 1 1 72 72 TYR N N 15 121.05 0.043 . 1 . . . . 161 TYR N . 16328 1 482 . 1 1 73 73 TYR H H 1 8.594 0.008 . 1 . . . . 162 TYR H . 16328 1 483 . 1 1 73 73 TYR HA H 1 4.87 0.011 . 1 . . . . 162 TYR HA . 16328 1 484 . 1 1 73 73 TYR HB2 H 1 2.719 0.01 . 1 . . . . 162 TYR HB2 . 16328 1 485 . 1 1 73 73 TYR HB3 H 1 2.858 0.008 . 1 . . . . 162 TYR HB3 . 16328 1 486 . 1 1 73 73 TYR HD1 H 1 7.181 0.013 . 3 . . . . 162 TYR HD1 . 16328 1 487 . 1 1 73 73 TYR HE1 H 1 6.512 0.037 . 3 . . . . 162 TYR HE1 . 16328 1 488 . 1 1 73 73 TYR CA C 13 56.02 0.043 . 1 . . . . 162 TYR CA . 16328 1 489 . 1 1 73 73 TYR CB C 13 40.17 0.041 . 1 . . . . 162 TYR CB . 16328 1 490 . 1 1 73 73 TYR N N 15 111.169 0.085 . 1 . . . . 162 TYR N . 16328 1 491 . 1 1 74 74 ARG H H 1 7.94 0.007 . 1 . . . . 163 ARG H . 16328 1 492 . 1 1 74 74 ARG HA H 1 4.634 0.02 . 1 . . . . 163 ARG HA . 16328 1 493 . 1 1 74 74 ARG HD2 H 1 3.011 0 . 2 . . . . 163 ARG HD2 . 16328 1 494 . 1 1 74 74 ARG HG3 H 1 1.663 0.022 . 1 . . . . 163 ARG HG3 . 16328 1 495 . 1 1 74 74 ARG CA C 13 54.184 0.03 . 1 . . . . 163 ARG CA . 16328 1 496 . 1 1 74 74 ARG N N 15 120.511 0.033 . 1 . . . . 163 ARG N . 16328 1 497 . 1 1 75 75 PRO HA H 1 4.599 0.014 . 1 . . . . 164 PRO HA . 16328 1 498 . 1 1 75 75 PRO HB2 H 1 2.499 0.007 . 1 . . . . 164 PRO HB2 . 16328 1 499 . 1 1 75 75 PRO HB3 H 1 1.99 0.009 . 1 . . . . 164 PRO HB3 . 16328 1 500 . 1 1 75 75 PRO HD2 H 1 3.652 0.019 . 1 . . . . 164 PRO HD2 . 16328 1 501 . 1 1 75 75 PRO HD3 H 1 3.426 0.012 . 1 . . . . 164 PRO HD3 . 16328 1 502 . 1 1 75 75 PRO HG2 H 1 2.062 0.018 . 1 . . . . 164 PRO HG2 . 16328 1 503 . 1 1 75 75 PRO HG3 H 1 2.062 0.018 . 1 . . . . 164 PRO HG3 . 16328 1 504 . 1 1 75 75 PRO CA C 13 63.53 0.027 . 1 . . . . 164 PRO CA . 16328 1 505 . 1 1 75 75 PRO CB C 13 32.73 0.029 . 1 . . . . 164 PRO CB . 16328 1 506 . 1 1 75 75 PRO CD C 13 50.243 0.189 . 1 . . . . 164 PRO CD . 16328 1 507 . 1 1 76 76 VAL H H 1 8.578 0.003 . 1 . . . . 165 VAL H . 16328 1 508 . 1 1 76 76 VAL HA H 1 4.308 0.009 . 1 . . . . 165 VAL HA . 16328 1 509 . 1 1 76 76 VAL HB H 1 2.112 0.016 . 1 . . . . 165 VAL HB . 16328 1 510 . 1 1 76 76 VAL HG11 H 1 0.85 0.011 . 1 . . . . 165 VAL HG1 . 16328 1 511 . 1 1 76 76 VAL HG12 H 1 0.85 0.011 . 1 . . . . 165 VAL HG1 . 16328 1 512 . 1 1 76 76 VAL HG13 H 1 0.85 0.011 . 1 . . . . 165 VAL HG1 . 16328 1 513 . 1 1 76 76 VAL HG21 H 1 0.86 0.007 . 1 . . . . 165 VAL HG2 . 16328 1 514 . 1 1 76 76 VAL HG22 H 1 0.86 0.007 . 1 . . . . 165 VAL HG2 . 16328 1 515 . 1 1 76 76 VAL HG23 H 1 0.86 0.007 . 1 . . . . 165 VAL HG2 . 16328 1 516 . 1 1 76 76 VAL CA C 13 65.614 0.079 . 1 . . . . 165 VAL CA . 16328 1 517 . 1 1 76 76 VAL CB C 13 32.382 0.122 . 1 . . . . 165 VAL CB . 16328 1 518 . 1 1 76 76 VAL CG1 C 13 21.27 0.055 . 2 . . . . 165 VAL CG1 . 16328 1 519 . 1 1 76 76 VAL CG2 C 13 21.806 0.04 . 2 . . . . 165 VAL CG2 . 16328 1 520 . 1 1 76 76 VAL N N 15 118.423 0.036 . 1 . . . . 165 VAL N . 16328 1 521 . 1 1 77 77 ASP H H 1 8.298 0.007 . 1 . . . . 166 ASP H . 16328 1 522 . 1 1 77 77 ASP HA H 1 4.61 0.007 . 1 . . . . 166 ASP HA . 16328 1 523 . 1 1 77 77 ASP HB2 H 1 2.693 0.011 . 1 . . . . 166 ASP HB2 . 16328 1 524 . 1 1 77 77 ASP HB3 H 1 2.904 0.011 . 1 . . . . 166 ASP HB3 . 16328 1 525 . 1 1 77 77 ASP CA C 13 54.527 0.046 . 1 . . . . 166 ASP CA . 16328 1 526 . 1 1 77 77 ASP CB C 13 39.877 0.055 . 1 . . . . 166 ASP CB . 16328 1 527 . 1 1 77 77 ASP N N 15 117.497 0.055 . 1 . . . . 166 ASP N . 16328 1 528 . 1 1 78 78 GLN H H 1 8.254 0.005 . 1 . . . . 167 GLN H . 16328 1 529 . 1 1 78 78 GLN HA H 1 4.11 0.007 . 1 . . . . 167 GLN HA . 16328 1 530 . 1 1 78 78 GLN HB2 H 1 1.725 0.016 . 1 . . . . 167 GLN HB2 . 16328 1 531 . 1 1 78 78 GLN HB3 H 1 1.886 0.019 . 1 . . . . 167 GLN HB3 . 16328 1 532 . 1 1 78 78 GLN HG2 H 1 2.201 0.013 . 1 . . . . 167 GLN HG2 . 16328 1 533 . 1 1 78 78 GLN HG3 H 1 2.215 0.004 . 1 . . . . 167 GLN HG3 . 16328 1 534 . 1 1 78 78 GLN CA C 13 55.884 0.07 . 1 . . . . 167 GLN CA . 16328 1 535 . 1 1 78 78 GLN CB C 13 27.466 0.051 . 1 . . . . 167 GLN CB . 16328 1 536 . 1 1 78 78 GLN CG C 13 34.205 0.022 . 1 . . . . 167 GLN CG . 16328 1 537 . 1 1 78 78 GLN N N 15 117.402 0.037 . 1 . . . . 167 GLN N . 16328 1 538 . 1 1 79 79 TYR H H 1 7.889 0.006 . 1 . . . . 168 TYR H . 16328 1 539 . 1 1 79 79 TYR HA H 1 4.943 0.015 . 1 . . . . 168 TYR HA . 16328 1 540 . 1 1 79 79 TYR HB2 H 1 3.041 0.024 . 1 . . . . 168 TYR HB2 . 16328 1 541 . 1 1 79 79 TYR HB3 H 1 3.309 0.011 . 1 . . . . 168 TYR HB3 . 16328 1 542 . 1 1 79 79 TYR HD1 H 1 7.328 0.009 . 3 . . . . 168 TYR HD1 . 16328 1 543 . 1 1 79 79 TYR CA C 13 56.965 0.049 . 1 . . . . 168 TYR CA . 16328 1 544 . 1 1 79 79 TYR CB C 13 42.31 0.068 . 1 . . . . 168 TYR CB . 16328 1 545 . 1 1 79 79 TYR N N 15 117.023 0.042 . 1 . . . . 168 TYR N . 16328 1 546 . 1 1 80 80 SER H H 1 9.153 0.007 . 1 . . . . 169 SER H . 16328 1 547 . 1 1 80 80 SER HA H 1 4.54 0.012 . 1 . . . . 169 SER HA . 16328 1 548 . 1 1 80 80 SER HB2 H 1 3.984 0.014 . 1 . . . . 169 SER HB2 . 16328 1 549 . 1 1 80 80 SER HB3 H 1 3.984 0.014 . 1 . . . . 169 SER HB3 . 16328 1 550 . 1 1 80 80 SER CA C 13 59.113 0.125 . 1 . . . . 169 SER CA . 16328 1 551 . 1 1 80 80 SER CB C 13 64.062 0.023 . 1 . . . . 169 SER CB . 16328 1 552 . 1 1 80 80 SER N N 15 115.122 0.05 . 1 . . . . 169 SER N . 16328 1 553 . 1 1 81 81 ASN H H 1 7.611 0.011 . 1 . . . . 170 ASN H . 16328 1 554 . 1 1 81 81 ASN HA H 1 4.751 0.017 . 1 . . . . 170 ASN HA . 16328 1 555 . 1 1 81 81 ASN HB2 H 1 2.996 0.012 . 1 . . . . 170 ASN HB2 . 16328 1 556 . 1 1 81 81 ASN HB3 H 1 3.176 0.017 . 1 . . . . 170 ASN HB3 . 16328 1 557 . 1 1 81 81 ASN CA C 13 52.416 0.118 . 1 . . . . 170 ASN CA . 16328 1 558 . 1 1 81 81 ASN CB C 13 40.106 0.051 . 1 . . . . 170 ASN CB . 16328 1 559 . 1 1 81 81 ASN N N 15 114.507 0.037 . 1 . . . . 170 ASN N . 16328 1 560 . 1 1 82 82 GLN H H 1 8.584 0.005 . 1 . . . . 171 GLN H . 16328 1 561 . 1 1 82 82 GLN HA H 1 3.75 0.008 . 1 . . . . 171 GLN HA . 16328 1 562 . 1 1 82 82 GLN HG2 H 1 2.716 0.005 . 1 . . . . 171 GLN HG2 . 16328 1 563 . 1 1 82 82 GLN HG3 H 1 2.478 0.006 . 1 . . . . 171 GLN HG3 . 16328 1 564 . 1 1 82 82 GLN CA C 13 58.943 0.059 . 1 . . . . 171 GLN CA . 16328 1 565 . 1 1 82 82 GLN CB C 13 29.483 0.218 . 1 . . . . 171 GLN CB . 16328 1 566 . 1 1 82 82 GLN CG C 13 33.672 0.05 . 1 . . . . 171 GLN CG . 16328 1 567 . 1 1 82 82 GLN N N 15 119.651 0.033 . 1 . . . . 171 GLN N . 16328 1 568 . 1 1 83 83 ASN H H 1 8.412 0.005 . 1 . . . . 172 ASN H . 16328 1 569 . 1 1 83 83 ASN HA H 1 4.211 0.018 . 1 . . . . 172 ASN HA . 16328 1 570 . 1 1 83 83 ASN HB2 H 1 2.742 0.004 . 1 . . . . 172 ASN HB2 . 16328 1 571 . 1 1 83 83 ASN HB3 H 1 2.665 0.019 . 1 . . . . 172 ASN HB3 . 16328 1 572 . 1 1 83 83 ASN CA C 13 56.41 0.037 . 1 . . . . 172 ASN CA . 16328 1 573 . 1 1 83 83 ASN CB C 13 37.536 0.151 . 1 . . . . 172 ASN CB . 16328 1 574 . 1 1 83 83 ASN N N 15 117.522 0.064 . 1 . . . . 172 ASN N . 16328 1 575 . 1 1 84 84 ASN H H 1 8.57 0.008 . 1 . . . . 173 ASN H . 16328 1 576 . 1 1 84 84 ASN HA H 1 4.571 0.01 . 1 . . . . 173 ASN HA . 16328 1 577 . 1 1 84 84 ASN HB2 H 1 2.932 0.004 . 1 . . . . 173 ASN HB2 . 16328 1 578 . 1 1 84 84 ASN HB3 H 1 3.218 0.009 . 1 . . . . 173 ASN HB3 . 16328 1 579 . 1 1 84 84 ASN CA C 13 56.075 0.048 . 1 . . . . 173 ASN CA . 16328 1 580 . 1 1 84 84 ASN CB C 13 38.254 0.087 . 1 . . . . 173 ASN CB . 16328 1 581 . 1 1 84 84 ASN N N 15 118.408 0.041 . 1 . . . . 173 ASN N . 16328 1 582 . 1 1 85 85 PHE H H 1 7.196 0.011 . 1 . . . . 174 PHE H . 16328 1 583 . 1 1 85 85 PHE HB2 H 1 2.882 0.016 . 1 . . . . 174 PHE HB2 . 16328 1 584 . 1 1 85 85 PHE HB3 H 1 2.745 0.014 . 1 . . . . 174 PHE HB3 . 16328 1 585 . 1 1 85 85 PHE HE1 H 1 7.191 0.004 . 3 . . . . 174 PHE HE1 . 16328 1 586 . 1 1 85 85 PHE CA C 13 60.971 0.002 . 1 . . . . 174 PHE CA . 16328 1 587 . 1 1 85 85 PHE CB C 13 38.765 0.044 . 1 . . . . 174 PHE CB . 16328 1 588 . 1 1 85 85 PHE N N 15 121.739 0.058 . 1 . . . . 174 PHE N . 16328 1 589 . 1 1 86 86 VAL H H 1 8.884 0.011 . 1 . . . . 175 VAL H . 16328 1 590 . 1 1 86 86 VAL HA H 1 3.409 0.02 . 1 . . . . 175 VAL HA . 16328 1 591 . 1 1 86 86 VAL HB H 1 2.194 0.011 . 1 . . . . 175 VAL HB . 16328 1 592 . 1 1 86 86 VAL HG11 H 1 1.044 0.01 . 1 . . . . 175 VAL HG1 . 16328 1 593 . 1 1 86 86 VAL HG12 H 1 1.044 0.01 . 1 . . . . 175 VAL HG1 . 16328 1 594 . 1 1 86 86 VAL HG13 H 1 1.044 0.01 . 1 . . . . 175 VAL HG1 . 16328 1 595 . 1 1 86 86 VAL HG21 H 1 1.057 0.014 . 1 . . . . 175 VAL HG2 . 16328 1 596 . 1 1 86 86 VAL HG22 H 1 1.057 0.014 . 1 . . . . 175 VAL HG2 . 16328 1 597 . 1 1 86 86 VAL HG23 H 1 1.057 0.014 . 1 . . . . 175 VAL HG2 . 16328 1 598 . 1 1 86 86 VAL CA C 13 67.541 0.046 . 1 . . . . 175 VAL CA . 16328 1 599 . 1 1 86 86 VAL CB C 13 32 0.004 . 1 . . . . 175 VAL CB . 16328 1 600 . 1 1 86 86 VAL CG1 C 13 22.154 0.061 . 2 . . . . 175 VAL CG1 . 16328 1 601 . 1 1 86 86 VAL CG2 C 13 24.687 0.056 . 2 . . . . 175 VAL CG2 . 16328 1 602 . 1 1 86 86 VAL N N 15 120.294 0.032 . 1 . . . . 175 VAL N . 16328 1 603 . 1 1 87 87 HIS H H 1 8.388 0.009 . 1 . . . . 176 HIS H . 16328 1 604 . 1 1 87 87 HIS HA H 1 4.312 0.007 . 1 . . . . 176 HIS HA . 16328 1 605 . 1 1 87 87 HIS HB2 H 1 3.334 0.021 . 1 . . . . 176 HIS HB2 . 16328 1 606 . 1 1 87 87 HIS HB3 H 1 3.334 0.021 . 1 . . . . 176 HIS HB3 . 16328 1 607 . 1 1 87 87 HIS HE1 H 1 7.215 0 . 1 . . . . 176 HIS HE1 . 16328 1 608 . 1 1 87 87 HIS CA C 13 59.247 0.043 . 1 . . . . 176 HIS CA . 16328 1 609 . 1 1 87 87 HIS CB C 13 28.422 0.049 . 1 . . . . 176 HIS CB . 16328 1 610 . 1 1 87 87 HIS N N 15 116.512 0.05 . 1 . . . . 176 HIS N . 16328 1 611 . 1 1 88 88 ASP H H 1 7.397 0.011 . 1 . . . . 177 ASP H . 16328 1 612 . 1 1 88 88 ASP HA H 1 4.57 0.012 . 1 . . . . 177 ASP HA . 16328 1 613 . 1 1 88 88 ASP HB2 H 1 3.001 0.033 . 1 . . . . 177 ASP HB2 . 16328 1 614 . 1 1 88 88 ASP HB3 H 1 2.952 0.033 . 1 . . . . 177 ASP HB3 . 16328 1 615 . 1 1 88 88 ASP CA C 13 57.27 0.039 . 1 . . . . 177 ASP CA . 16328 1 616 . 1 1 88 88 ASP CB C 13 41.323 0.155 . 1 . . . . 177 ASP CB . 16328 1 617 . 1 1 88 88 ASP N N 15 118.488 0.041 . 1 . . . . 177 ASP N . 16328 1 618 . 1 1 89 89 CYS H H 1 8.114 0.009 . 1 . . . . 178 CYS H . 16328 1 619 . 1 1 89 89 CYS HA H 1 4.686 0.024 . 1 . . . . 178 CYS HA . 16328 1 620 . 1 1 89 89 CYS HB2 H 1 3.061 0.137 . 1 . . . . 178 CYS HB2 . 16328 1 621 . 1 1 89 89 CYS HB3 H 1 3.248 0.013 . 1 . . . . 178 CYS HB3 . 16328 1 622 . 1 1 89 89 CYS CA C 13 58.693 0.107 . 1 . . . . 178 CYS CA . 16328 1 623 . 1 1 89 89 CYS CB C 13 41.067 0.064 . 1 . . . . 178 CYS CB . 16328 1 624 . 1 1 89 89 CYS N N 15 119.324 0.056 . 1 . . . . 178 CYS N . 16328 1 625 . 1 1 90 90 VAL H H 1 9.207 0.005 . 1 . . . . 179 VAL H . 16328 1 626 . 1 1 90 90 VAL HA H 1 3.661 0.017 . 1 . . . . 179 VAL HA . 16328 1 627 . 1 1 90 90 VAL HB H 1 2.149 0.011 . 1 . . . . 179 VAL HB . 16328 1 628 . 1 1 90 90 VAL HG11 H 1 1.063 0.015 . 1 . . . . 179 VAL HG1 . 16328 1 629 . 1 1 90 90 VAL HG12 H 1 1.063 0.015 . 1 . . . . 179 VAL HG1 . 16328 1 630 . 1 1 90 90 VAL HG13 H 1 1.063 0.015 . 1 . . . . 179 VAL HG1 . 16328 1 631 . 1 1 90 90 VAL HG21 H 1 0.953 0.008 . 1 . . . . 179 VAL HG2 . 16328 1 632 . 1 1 90 90 VAL HG22 H 1 0.953 0.008 . 1 . . . . 179 VAL HG2 . 16328 1 633 . 1 1 90 90 VAL HG23 H 1 0.953 0.008 . 1 . . . . 179 VAL HG2 . 16328 1 634 . 1 1 90 90 VAL CA C 13 66.155 0.11 . 1 . . . . 179 VAL CA . 16328 1 635 . 1 1 90 90 VAL CB C 13 31.818 0.065 . 1 . . . . 179 VAL CB . 16328 1 636 . 1 1 90 90 VAL CG1 C 13 23.423 0.033 . 2 . . . . 179 VAL CG1 . 16328 1 637 . 1 1 90 90 VAL CG2 C 13 21.244 0.097 . 2 . . . . 179 VAL CG2 . 16328 1 638 . 1 1 90 90 VAL N N 15 124.164 0.044 . 1 . . . . 179 VAL N . 16328 1 639 . 1 1 91 91 ASN H H 1 7.668 0.008 . 1 . . . . 180 ASN H . 16328 1 640 . 1 1 91 91 ASN HA H 1 4.307 0.008 . 1 . . . . 180 ASN HA . 16328 1 641 . 1 1 91 91 ASN HB2 H 1 2.87 0.004 . 1 . . . . 180 ASN HB2 . 16328 1 642 . 1 1 91 91 ASN HB3 H 1 2.817 0.024 . 1 . . . . 180 ASN HB3 . 16328 1 643 . 1 1 91 91 ASN CA C 13 56.685 0.052 . 1 . . . . 180 ASN CA . 16328 1 644 . 1 1 91 91 ASN CB C 13 38.864 0.046 . 1 . . . . 180 ASN CB . 16328 1 645 . 1 1 91 91 ASN N N 15 116.623 0.046 . 1 . . . . 180 ASN N . 16328 1 646 . 1 1 92 92 ILE H H 1 8.649 0.009 . 1 . . . . 181 ILE H . 16328 1 647 . 1 1 92 92 ILE HA H 1 3.766 0.019 . 1 . . . . 181 ILE HA . 16328 1 648 . 1 1 92 92 ILE HB H 1 1.608 0.022 . 1 . . . . 181 ILE HB . 16328 1 649 . 1 1 92 92 ILE HD11 H 1 0.416 0.016 . 1 . . . . 181 ILE HD1 . 16328 1 650 . 1 1 92 92 ILE HD12 H 1 0.416 0.016 . 1 . . . . 181 ILE HD1 . 16328 1 651 . 1 1 92 92 ILE HD13 H 1 0.416 0.016 . 1 . . . . 181 ILE HD1 . 16328 1 652 . 1 1 92 92 ILE HG12 H 1 0.988 0.015 . 1 . . . . 181 ILE HG12 . 16328 1 653 . 1 1 92 92 ILE HG13 H 1 0.826 0.014 . 1 . . . . 181 ILE HG13 . 16328 1 654 . 1 1 92 92 ILE HG21 H 1 0.247 0.012 . 1 . . . . 181 ILE HG2 . 16328 1 655 . 1 1 92 92 ILE HG22 H 1 0.247 0.012 . 1 . . . . 181 ILE HG2 . 16328 1 656 . 1 1 92 92 ILE HG23 H 1 0.247 0.012 . 1 . . . . 181 ILE HG2 . 16328 1 657 . 1 1 92 92 ILE CA C 13 62.054 0.056 . 1 . . . . 181 ILE CA . 16328 1 658 . 1 1 92 92 ILE CB C 13 36.465 0.071 . 1 . . . . 181 ILE CB . 16328 1 659 . 1 1 92 92 ILE CD1 C 13 10.981 0.027 . 1 . . . . 181 ILE CD1 . 16328 1 660 . 1 1 92 92 ILE CG1 C 13 27.518 0.085 . 1 . . . . 181 ILE CG1 . 16328 1 661 . 1 1 92 92 ILE CG2 C 13 18.449 0.06 . 1 . . . . 181 ILE CG2 . 16328 1 662 . 1 1 92 92 ILE N N 15 118.063 0.051 . 1 . . . . 181 ILE N . 16328 1 663 . 1 1 93 93 THR H H 1 8.097 0.003 . 1 . . . . 182 THR H . 16328 1 664 . 1 1 93 93 THR HA H 1 4.087 0.016 . 1 . . . . 182 THR HA . 16328 1 665 . 1 1 93 93 THR HB H 1 4.495 0.018 . 1 . . . . 182 THR HB . 16328 1 666 . 1 1 93 93 THR HG21 H 1 1.48 0.012 . 1 . . . . 182 THR HG2 . 16328 1 667 . 1 1 93 93 THR HG22 H 1 1.48 0.012 . 1 . . . . 182 THR HG2 . 16328 1 668 . 1 1 93 93 THR HG23 H 1 1.48 0.012 . 1 . . . . 182 THR HG2 . 16328 1 669 . 1 1 93 93 THR CA C 13 68.575 0.117 . 1 . . . . 182 THR CA . 16328 1 670 . 1 1 93 93 THR CB C 13 68.447 0.037 . 1 . . . . 182 THR CB . 16328 1 671 . 1 1 93 93 THR CG2 C 13 22.227 0.024 . 1 . . . . 182 THR CG2 . 16328 1 672 . 1 1 93 93 THR N N 15 118.121 0.033 . 1 . . . . 182 THR N . 16328 1 673 . 1 1 94 94 VAL H H 1 8.804 0.006 . 1 . . . . 183 VAL H . 16328 1 674 . 1 1 94 94 VAL HA H 1 3.617 0.018 . 1 . . . . 183 VAL HA . 16328 1 675 . 1 1 94 94 VAL HB H 1 2.285 0.013 . 1 . . . . 183 VAL HB . 16328 1 676 . 1 1 94 94 VAL HG11 H 1 1.017 0.021 . 1 . . . . 183 VAL HG1 . 16328 1 677 . 1 1 94 94 VAL HG12 H 1 1.017 0.021 . 1 . . . . 183 VAL HG1 . 16328 1 678 . 1 1 94 94 VAL HG13 H 1 1.017 0.021 . 1 . . . . 183 VAL HG1 . 16328 1 679 . 1 1 94 94 VAL HG21 H 1 0.935 0.022 . 1 . . . . 183 VAL HG2 . 16328 1 680 . 1 1 94 94 VAL HG22 H 1 0.935 0.022 . 1 . . . . 183 VAL HG2 . 16328 1 681 . 1 1 94 94 VAL HG23 H 1 0.935 0.022 . 1 . . . . 183 VAL HG2 . 16328 1 682 . 1 1 94 94 VAL CA C 13 67.793 0.052 . 1 . . . . 183 VAL CA . 16328 1 683 . 1 1 94 94 VAL CB C 13 31.418 0.032 . 1 . . . . 183 VAL CB . 16328 1 684 . 1 1 94 94 VAL CG1 C 13 23.429 0.051 . 2 . . . . 183 VAL CG1 . 16328 1 685 . 1 1 94 94 VAL CG2 C 13 20.96 0.078 . 2 . . . . 183 VAL CG2 . 16328 1 686 . 1 1 94 94 VAL N N 15 120.768 0.059 . 1 . . . . 183 VAL N . 16328 1 687 . 1 1 95 95 LYS H H 1 7.888 0.008 . 1 . . . . 184 LYS H . 16328 1 688 . 1 1 95 95 LYS HA H 1 4.053 0.008 . 1 . . . . 184 LYS HA . 16328 1 689 . 1 1 95 95 LYS HB2 H 1 1.901 0.024 . 1 . . . . 184 LYS HB2 . 16328 1 690 . 1 1 95 95 LYS HB3 H 1 1.948 0.015 . 1 . . . . 184 LYS HB3 . 16328 1 691 . 1 1 95 95 LYS HD2 H 1 1.634 0.023 . 1 . . . . 184 LYS HD2 . 16328 1 692 . 1 1 95 95 LYS HD3 H 1 1.634 0.023 . 1 . . . . 184 LYS HD3 . 16328 1 693 . 1 1 95 95 LYS HE2 H 1 2.919 0.009 . 1 . . . . 184 LYS HE2 . 16328 1 694 . 1 1 95 95 LYS HE3 H 1 2.919 0.009 . 1 . . . . 184 LYS HE3 . 16328 1 695 . 1 1 95 95 LYS HG2 H 1 1.429 0.002 . 1 . . . . 184 LYS HG2 . 16328 1 696 . 1 1 95 95 LYS HG3 H 1 1.494 0.01 . 1 . . . . 184 LYS HG3 . 16328 1 697 . 1 1 95 95 LYS CA C 13 60.052 0.06 . 1 . . . . 184 LYS CA . 16328 1 698 . 1 1 95 95 LYS CB C 13 32.164 0.055 . 1 . . . . 184 LYS CB . 16328 1 699 . 1 1 95 95 LYS CD C 13 29.013 0.019 . 1 . . . . 184 LYS CD . 16328 1 700 . 1 1 95 95 LYS CE C 13 41.816 0.061 . 1 . . . . 184 LYS CE . 16328 1 701 . 1 1 95 95 LYS CG C 13 24.836 0 . 1 . . . . 184 LYS CG . 16328 1 702 . 1 1 95 95 LYS N N 15 121.424 0.07 . 1 . . . . 184 LYS N . 16328 1 703 . 1 1 96 96 GLN H H 1 8.339 0.019 . 1 . . . . 185 GLN H . 16328 1 704 . 1 1 96 96 GLN HA H 1 4.021 0 . 1 . . . . 185 GLN HA . 16328 1 705 . 1 1 96 96 GLN HB2 H 1 2.127 0.016 . 1 . . . . 185 GLN HB2 . 16328 1 706 . 1 1 96 96 GLN HB3 H 1 2.127 0.016 . 1 . . . . 185 GLN HB3 . 16328 1 707 . 1 1 96 96 GLN HE22 H 1 6.806 0.003 . 2 . . . . 185 GLN HE22 . 16328 1 708 . 1 1 96 96 GLN HG2 H 1 2.555 0 . 1 . . . . 185 GLN HG2 . 16328 1 709 . 1 1 96 96 GLN HG3 H 1 2.353 0.006 . 1 . . . . 185 GLN HG3 . 16328 1 710 . 1 1 96 96 GLN CB C 13 28.352 0.019 . 1 . . . . 185 GLN CB . 16328 1 711 . 1 1 96 96 GLN N N 15 116.514 0.089 . 1 . . . . 185 GLN N . 16328 1 712 . 1 1 97 97 HIS HA H 1 4.588 0.01 . 1 . . . . 186 HIS HA . 16328 1 713 . 1 1 97 97 HIS HB2 H 1 3.4 0.016 . 1 . . . . 186 HIS HB2 . 16328 1 714 . 1 1 97 97 HIS HB3 H 1 3.156 0.008 . 1 . . . . 186 HIS HB3 . 16328 1 715 . 1 1 97 97 HIS HE1 H 1 7.854 0.018 . 1 . . . . 186 HIS HE1 . 16328 1 716 . 1 1 97 97 HIS CA C 13 59.63 0.33 . 1 . . . . 186 HIS CA . 16328 1 717 . 1 1 97 97 HIS CB C 13 31.38 0.537 . 1 . . . . 186 HIS CB . 16328 1 718 . 1 1 98 98 THR H H 1 8.126 0.018 . 1 . . . . 187 THR H . 16328 1 719 . 1 1 98 98 THR HA H 1 4.191 0.047 . 1 . . . . 187 THR HA . 16328 1 720 . 1 1 98 98 THR HG21 H 1 1.297 0.014 . 1 . . . . 187 THR HG2 . 16328 1 721 . 1 1 98 98 THR HG22 H 1 1.297 0.014 . 1 . . . . 187 THR HG2 . 16328 1 722 . 1 1 98 98 THR HG23 H 1 1.297 0.014 . 1 . . . . 187 THR HG2 . 16328 1 723 . 1 1 98 98 THR CA C 13 64.728 0.239 . 1 . . . . 187 THR CA . 16328 1 724 . 1 1 98 98 THR CB C 13 69.034 0.146 . 1 . . . . 187 THR CB . 16328 1 725 . 1 1 98 98 THR CG2 C 13 21.681 0.103 . 1 . . . . 187 THR CG2 . 16328 1 726 . 1 1 98 98 THR N N 15 112.872 0.138 . 1 . . . . 187 THR N . 16328 1 727 . 1 1 99 99 VAL H H 1 7.983 0.012 . 1 . . . . 188 VAL H . 16328 1 728 . 1 1 99 99 VAL HA H 1 4.032 0.016 . 1 . . . . 188 VAL HA . 16328 1 729 . 1 1 99 99 VAL HB H 1 2.195 0.008 . 1 . . . . 188 VAL HB . 16328 1 730 . 1 1 99 99 VAL HG11 H 1 1.212 0.011 . 1 . . . . 188 VAL HG1 . 16328 1 731 . 1 1 99 99 VAL HG12 H 1 1.212 0.011 . 1 . . . . 188 VAL HG1 . 16328 1 732 . 1 1 99 99 VAL HG13 H 1 1.212 0.011 . 1 . . . . 188 VAL HG1 . 16328 1 733 . 1 1 99 99 VAL HG21 H 1 0.741 0.017 . 1 . . . . 188 VAL HG2 . 16328 1 734 . 1 1 99 99 VAL HG22 H 1 0.741 0.017 . 1 . . . . 188 VAL HG2 . 16328 1 735 . 1 1 99 99 VAL HG23 H 1 0.741 0.017 . 1 . . . . 188 VAL HG2 . 16328 1 736 . 1 1 99 99 VAL CA C 13 65.028 0.069 . 1 . . . . 188 VAL CA . 16328 1 737 . 1 1 99 99 VAL CB C 13 32.087 0 . 1 . . . . 188 VAL CB . 16328 1 738 . 1 1 99 99 VAL CG1 C 13 21.351 0.066 . 1 . . . . 188 VAL CG1 . 16328 1 739 . 1 1 99 99 VAL CG2 C 13 23.415 0 . 1 . . . . 188 VAL CG2 . 16328 1 740 . 1 1 99 99 VAL N N 15 122.052 0.069 . 1 . . . . 188 VAL N . 16328 1 741 . 1 1 100 100 THR H H 1 8.108 0.004 . 1 . . . . 189 THR H . 16328 1 742 . 1 1 100 100 THR HA H 1 4.214 0 . 1 . . . . 189 THR HA . 16328 1 743 . 1 1 100 100 THR HB H 1 4.067 0.004 . 1 . . . . 189 THR HB . 16328 1 744 . 1 1 100 100 THR HG21 H 1 1.25 0 . 1 . . . . 189 THR HG2 . 16328 1 745 . 1 1 100 100 THR HG22 H 1 1.25 0 . 1 . . . . 189 THR HG2 . 16328 1 746 . 1 1 100 100 THR HG23 H 1 1.25 0 . 1 . . . . 189 THR HG2 . 16328 1 747 . 1 1 100 100 THR CA C 13 64.165 0.009 . 1 . . . . 189 THR CA . 16328 1 748 . 1 1 100 100 THR CB C 13 69.393 0 . 1 . . . . 189 THR CB . 16328 1 749 . 1 1 100 100 THR CG2 C 13 21.79 0 . 1 . . . . 189 THR CG2 . 16328 1 750 . 1 1 100 100 THR N N 15 115.612 0.035 . 1 . . . . 189 THR N . 16328 1 751 . 1 1 101 101 THR H H 1 7.996 0.009 . 1 . . . . 190 THR H . 16328 1 752 . 1 1 101 101 THR HA H 1 4.215 0.027 . 1 . . . . 190 THR HA . 16328 1 753 . 1 1 101 101 THR HB H 1 4.369 0.091 . 1 . . . . 190 THR HB . 16328 1 754 . 1 1 101 101 THR HG21 H 1 0.981 0.008 . 1 . . . . 190 THR HG2 . 16328 1 755 . 1 1 101 101 THR HG22 H 1 0.981 0.008 . 1 . . . . 190 THR HG2 . 16328 1 756 . 1 1 101 101 THR HG23 H 1 0.981 0.008 . 1 . . . . 190 THR HG2 . 16328 1 757 . 1 1 101 101 THR CA C 13 64.038 0.016 . 1 . . . . 190 THR CA . 16328 1 758 . 1 1 101 101 THR CB C 13 68.987 0.243 . 1 . . . . 190 THR CB . 16328 1 759 . 1 1 101 101 THR CG2 C 13 21.509 0 . 1 . . . . 190 THR CG2 . 16328 1 760 . 1 1 101 101 THR N N 15 115.036 0.033 . 1 . . . . 190 THR N . 16328 1 761 . 1 1 102 102 THR H H 1 8.15 0.005 . 1 . . . . 191 THR H . 16328 1 762 . 1 1 102 102 THR HA H 1 4.379 0.017 . 1 . . . . 191 THR HA . 16328 1 763 . 1 1 102 102 THR HB H 1 4.311 0.012 . 1 . . . . 191 THR HB . 16328 1 764 . 1 1 102 102 THR HG21 H 1 1.321 0.028 . 1 . . . . 191 THR HG2 . 16328 1 765 . 1 1 102 102 THR HG22 H 1 1.321 0.028 . 1 . . . . 191 THR HG2 . 16328 1 766 . 1 1 102 102 THR HG23 H 1 1.321 0.028 . 1 . . . . 191 THR HG2 . 16328 1 767 . 1 1 102 102 THR CA C 13 64.513 0.435 . 1 . . . . 191 THR CA . 16328 1 768 . 1 1 102 102 THR CB C 13 69.327 0.037 . 1 . . . . 191 THR CB . 16328 1 769 . 1 1 102 102 THR CG2 C 13 21.52 0.027 . 1 . . . . 191 THR CG2 . 16328 1 770 . 1 1 102 102 THR N N 15 116.294 0.074 . 1 . . . . 191 THR N . 16328 1 771 . 1 1 103 103 THR H H 1 7.989 0.004 . 1 . . . . 192 THR H . 16328 1 772 . 1 1 103 103 THR HA H 1 4.235 0.017 . 1 . . . . 192 THR HA . 16328 1 773 . 1 1 103 103 THR HG21 H 1 1.249 0.004 . 1 . . . . 192 THR HG2 . 16328 1 774 . 1 1 103 103 THR HG22 H 1 1.249 0.004 . 1 . . . . 192 THR HG2 . 16328 1 775 . 1 1 103 103 THR HG23 H 1 1.249 0.004 . 1 . . . . 192 THR HG2 . 16328 1 776 . 1 1 103 103 THR CA C 13 64.039 0.045 . 1 . . . . 192 THR CA . 16328 1 777 . 1 1 103 103 THR CB C 13 69.274 0.095 . 1 . . . . 192 THR CB . 16328 1 778 . 1 1 103 103 THR CG2 C 13 21.779 0 . 1 . . . . 192 THR CG2 . 16328 1 779 . 1 1 103 103 THR N N 15 116.279 0.061 . 1 . . . . 192 THR N . 16328 1 780 . 1 1 104 104 LYS H H 1 7.838 0.016 . 1 . . . . 193 LYS H . 16328 1 781 . 1 1 104 104 LYS HA H 1 4.384 0.018 . 1 . . . . 193 LYS HA . 16328 1 782 . 1 1 104 104 LYS HB2 H 1 1.842 0.032 . 1 . . . . 193 LYS HB2 . 16328 1 783 . 1 1 104 104 LYS HB3 H 1 2.008 0.015 . 1 . . . . 193 LYS HB3 . 16328 1 784 . 1 1 104 104 LYS HD2 H 1 1.681 0.019 . 1 . . . . 193 LYS HD2 . 16328 1 785 . 1 1 104 104 LYS HD3 H 1 1.681 0.019 . 1 . . . . 193 LYS HD3 . 16328 1 786 . 1 1 104 104 LYS HE2 H 1 2.95 0.005 . 1 . . . . 193 LYS HE2 . 16328 1 787 . 1 1 104 104 LYS HE3 H 1 2.95 0.005 . 1 . . . . 193 LYS HE3 . 16328 1 788 . 1 1 104 104 LYS HG3 H 1 1.492 0.018 . 1 . . . . 193 LYS HG3 . 16328 1 789 . 1 1 104 104 LYS CA C 13 56.471 0.156 . 1 . . . . 193 LYS CA . 16328 1 790 . 1 1 104 104 LYS CB C 13 32.584 0.093 . 1 . . . . 193 LYS CB . 16328 1 791 . 1 1 104 104 LYS CD C 13 29.055 0.04 . 1 . . . . 193 LYS CD . 16328 1 792 . 1 1 104 104 LYS CE C 13 41.812 0.106 . 1 . . . . 193 LYS CE . 16328 1 793 . 1 1 104 104 LYS CG C 13 24.957 0.064 . 1 . . . . 193 LYS CG . 16328 1 794 . 1 1 104 104 LYS N N 15 121.006 0.054 . 1 . . . . 193 LYS N . 16328 1 795 . 1 1 105 105 GLY H H 1 8.087 0.011 . 1 . . . . 194 GLY H . 16328 1 796 . 1 1 105 105 GLY HA2 H 1 3.82 0.013 . 1 . . . . 194 GLY HA2 . 16328 1 797 . 1 1 105 105 GLY HA3 H 1 4.069 0.014 . 1 . . . . 194 GLY HA3 . 16328 1 798 . 1 1 105 105 GLY CA C 13 45.49 0.02 . 1 . . . . 194 GLY CA . 16328 1 799 . 1 1 105 105 GLY N N 15 108.808 0.052 . 1 . . . . 194 GLY N . 16328 1 800 . 1 1 106 106 GLU H H 1 7.739 0.011 . 1 . . . . 195 GLU H . 16328 1 801 . 1 1 106 106 GLU HA H 1 4.278 0.011 . 1 . . . . 195 GLU HA . 16328 1 802 . 1 1 106 106 GLU HB2 H 1 1.627 0.012 . 2 . . . . 195 GLU HB2 . 16328 1 803 . 1 1 106 106 GLU HG2 H 1 1.94 0.023 . 1 . . . . 195 GLU HG2 . 16328 1 804 . 1 1 106 106 GLU HG3 H 1 2.068 0.011 . 1 . . . . 195 GLU HG3 . 16328 1 805 . 1 1 106 106 GLU CA C 13 55.496 0.084 . 1 . . . . 195 GLU CA . 16328 1 806 . 1 1 106 106 GLU CB C 13 30.99 0.244 . 1 . . . . 195 GLU CB . 16328 1 807 . 1 1 106 106 GLU CG C 13 35.861 0.15 . 1 . . . . 195 GLU CG . 16328 1 808 . 1 1 106 106 GLU N N 15 119.963 0.023 . 1 . . . . 195 GLU N . 16328 1 809 . 1 1 107 107 ASN H H 1 8.434 0.005 . 1 . . . . 196 ASN H . 16328 1 810 . 1 1 107 107 ASN HA H 1 4.709 0.02 . 1 . . . . 196 ASN HA . 16328 1 811 . 1 1 107 107 ASN HB2 H 1 2.565 0.079 . 1 . . . . 196 ASN HB2 . 16328 1 812 . 1 1 107 107 ASN HB3 H 1 2.625 0.022 . 1 . . . . 196 ASN HB3 . 16328 1 813 . 1 1 107 107 ASN CA C 13 53.894 0.016 . 1 . . . . 196 ASN CA . 16328 1 814 . 1 1 107 107 ASN CB C 13 40.861 0.001 . 1 . . . . 196 ASN CB . 16328 1 815 . 1 1 107 107 ASN N N 15 119.635 0.025 . 1 . . . . 196 ASN N . 16328 1 816 . 1 1 108 108 PHE H H 1 8.557 0.009 . 1 . . . . 197 PHE H . 16328 1 817 . 1 1 108 108 PHE HA H 1 5.277 0.08 . 1 . . . . 197 PHE HA . 16328 1 818 . 1 1 108 108 PHE HB2 H 1 2.968 0.009 . 1 . . . . 197 PHE HB2 . 16328 1 819 . 1 1 108 108 PHE HB3 H 1 3.194 0.018 . 1 . . . . 197 PHE HB3 . 16328 1 820 . 1 1 108 108 PHE HD1 H 1 7.346 0.016 . 3 . . . . 197 PHE HD1 . 16328 1 821 . 1 1 108 108 PHE HD2 H 1 7.499 0.021 . 3 . . . . 197 PHE HD2 . 16328 1 822 . 1 1 108 108 PHE HE1 H 1 6.932 0.015 . 3 . . . . 197 PHE HE1 . 16328 1 823 . 1 1 108 108 PHE HE2 H 1 6.655 0.011 . 3 . . . . 197 PHE HE2 . 16328 1 824 . 1 1 108 108 PHE CA C 13 56.627 0.141 . 1 . . . . 197 PHE CA . 16328 1 825 . 1 1 108 108 PHE CB C 13 40.42 0.094 . 1 . . . . 197 PHE CB . 16328 1 826 . 1 1 108 108 PHE N N 15 121.831 0.111 . 1 . . . . 197 PHE N . 16328 1 827 . 1 1 109 109 THR H H 1 9.544 0.007 . 1 . . . . 198 THR H . 16328 1 828 . 1 1 109 109 THR HA H 1 4.627 0.019 . 1 . . . . 198 THR HA . 16328 1 829 . 1 1 109 109 THR HB H 1 4.799 0.03 . 1 . . . . 198 THR HB . 16328 1 830 . 1 1 109 109 THR HG21 H 1 1.422 0.011 . 1 . . . . 198 THR HG2 . 16328 1 831 . 1 1 109 109 THR HG22 H 1 1.422 0.011 . 1 . . . . 198 THR HG2 . 16328 1 832 . 1 1 109 109 THR HG23 H 1 1.422 0.011 . 1 . . . . 198 THR HG2 . 16328 1 833 . 1 1 109 109 THR CA C 13 60.468 0.106 . 1 . . . . 198 THR CA . 16328 1 834 . 1 1 109 109 THR CB C 13 72.135 0.069 . 1 . . . . 198 THR CB . 16328 1 835 . 1 1 109 109 THR CG2 C 13 21.649 0.054 . 1 . . . . 198 THR CG2 . 16328 1 836 . 1 1 109 109 THR N N 15 115.81 0.04 . 1 . . . . 198 THR N . 16328 1 837 . 1 1 110 110 GLU H H 1 9.056 0.005 . 1 . . . . 199 GLU H . 16328 1 838 . 1 1 110 110 GLU HA H 1 4.047 0.01 . 1 . . . . 199 GLU HA . 16328 1 839 . 1 1 110 110 GLU HB2 H 1 2.106 0.008 . 1 . . . . 199 GLU HB2 . 16328 1 840 . 1 1 110 110 GLU HB3 H 1 2.077 0.007 . 1 . . . . 199 GLU HB3 . 16328 1 841 . 1 1 110 110 GLU HG2 H 1 2.375 0.025 . 1 . . . . 199 GLU HG2 . 16328 1 842 . 1 1 110 110 GLU HG3 H 1 2.319 0.008 . 1 . . . . 199 GLU HG3 . 16328 1 843 . 1 1 110 110 GLU CA C 13 60.012 0.07 . 1 . . . . 199 GLU CA . 16328 1 844 . 1 1 110 110 GLU CB C 13 28.963 0.092 . 1 . . . . 199 GLU CB . 16328 1 845 . 1 1 110 110 GLU CG C 13 36.475 0.189 . 1 . . . . 199 GLU CG . 16328 1 846 . 1 1 110 110 GLU N N 15 119.649 0.021 . 1 . . . . 199 GLU N . 16328 1 847 . 1 1 111 111 THR H H 1 7.915 0.005 . 1 . . . . 200 THR H . 16328 1 848 . 1 1 111 111 THR HA H 1 3.763 0.033 . 1 . . . . 200 THR HA . 16328 1 849 . 1 1 111 111 THR HB H 1 3.711 0.013 . 1 . . . . 200 THR HB . 16328 1 850 . 1 1 111 111 THR HG21 H 1 0.633 0.004 . 1 . . . . 200 THR HG2 . 16328 1 851 . 1 1 111 111 THR HG22 H 1 0.633 0.004 . 1 . . . . 200 THR HG2 . 16328 1 852 . 1 1 111 111 THR HG23 H 1 0.633 0.004 . 1 . . . . 200 THR HG2 . 16328 1 853 . 1 1 111 111 THR CA C 13 66.764 0.112 . 1 . . . . 200 THR CA . 16328 1 854 . 1 1 111 111 THR CB C 13 68.664 0.149 . 1 . . . . 200 THR CB . 16328 1 855 . 1 1 111 111 THR CG2 C 13 20.943 0.012 . 1 . . . . 200 THR CG2 . 16328 1 856 . 1 1 111 111 THR N N 15 116.219 0.026 . 1 . . . . 200 THR N . 16328 1 857 . 1 1 112 112 ASP H H 1 7.474 0.023 . 1 . . . . 201 ASP H . 16328 1 858 . 1 1 112 112 ASP HA H 1 4.53 0.016 . 1 . . . . 201 ASP HA . 16328 1 859 . 1 1 112 112 ASP HB2 H 1 2.563 0.039 . 1 . . . . 201 ASP HB2 . 16328 1 860 . 1 1 112 112 ASP HB3 H 1 3.382 0.014 . 1 . . . . 201 ASP HB3 . 16328 1 861 . 1 1 112 112 ASP CA C 13 58.19 0.044 . 1 . . . . 201 ASP CA . 16328 1 862 . 1 1 112 112 ASP CB C 13 41.982 0.119 . 1 . . . . 201 ASP CB . 16328 1 863 . 1 1 112 112 ASP N N 15 119.473 0.027 . 1 . . . . 201 ASP N . 16328 1 864 . 1 1 113 113 ILE H H 1 8.076 0.005 . 1 . . . . 202 ILE H . 16328 1 865 . 1 1 113 113 ILE HA H 1 3.429 0.01 . 1 . . . . 202 ILE HA . 16328 1 866 . 1 1 113 113 ILE HB H 1 1.923 0.012 . 1 . . . . 202 ILE HB . 16328 1 867 . 1 1 113 113 ILE HD11 H 1 0.722 0.013 . 1 . . . . 202 ILE HD11 . 16328 1 868 . 1 1 113 113 ILE HD12 H 1 0.722 0.013 . 1 . . . . 202 ILE HD12 . 16328 1 869 . 1 1 113 113 ILE HD13 H 1 0.722 0.013 . 1 . . . . 202 ILE HD12 . 16328 1 870 . 1 1 113 113 ILE HG12 H 1 1.281 0.019 . 1 . . . . 202 ILE HG12 . 16328 1 871 . 1 1 113 113 ILE HG13 H 1 1.539 0.016 . 1 . . . . 202 ILE HG13 . 16328 1 872 . 1 1 113 113 ILE HG21 H 1 0.839 0.01 . 1 . . . . 202 ILE HG2 . 16328 1 873 . 1 1 113 113 ILE HG22 H 1 0.839 0.01 . 1 . . . . 202 ILE HG2 . 16328 1 874 . 1 1 113 113 ILE HG23 H 1 0.839 0.01 . 1 . . . . 202 ILE HG2 . 16328 1 875 . 1 1 113 113 ILE CA C 13 64.568 0.145 . 1 . . . . 202 ILE CA . 16328 1 876 . 1 1 113 113 ILE CB C 13 37.366 0.156 . 1 . . . . 202 ILE CB . 16328 1 877 . 1 1 113 113 ILE CD1 C 13 11.326 0.01 . 1 . . . . 202 ILE CD1 . 16328 1 878 . 1 1 113 113 ILE CG1 C 13 28.41 0.038 . 1 . . . . 202 ILE CG1 . 16328 1 879 . 1 1 113 113 ILE CG2 C 13 17.228 0.009 . 1 . . . . 202 ILE CG2 . 16328 1 880 . 1 1 113 113 ILE N N 15 118.991 0.03 . 1 . . . . 202 ILE N . 16328 1 881 . 1 1 114 114 LYS H H 1 7.746 0.007 . 1 . . . . 203 LYS H . 16328 1 882 . 1 1 114 114 LYS HA H 1 4.044 0.017 . 1 . . . . 203 LYS HA . 16328 1 883 . 1 1 114 114 LYS HB2 H 1 2.015 0.002 . 1 . . . . 203 LYS HB2 . 16328 1 884 . 1 1 114 114 LYS HB3 H 1 1.903 0.027 . 1 . . . . 203 LYS HB3 . 16328 1 885 . 1 1 114 114 LYS HD2 H 1 1.626 0.021 . 1 . . . . 203 LYS HD2 . 16328 1 886 . 1 1 114 114 LYS HD3 H 1 1.626 0.021 . 1 . . . . 203 LYS HD3 . 16328 1 887 . 1 1 114 114 LYS HE2 H 1 2.917 0.011 . 1 . . . . 203 LYS HE2 . 16328 1 888 . 1 1 114 114 LYS HE3 H 1 2.917 0.011 . 1 . . . . 203 LYS HE3 . 16328 1 889 . 1 1 114 114 LYS HG2 H 1 1.41 0.011 . 1 . . . . 203 LYS HG2 . 16328 1 890 . 1 1 114 114 LYS HG3 H 1 1.561 0.016 . 1 . . . . 203 LYS HG3 . 16328 1 891 . 1 1 114 114 LYS CA C 13 59.335 0.062 . 1 . . . . 203 LYS CA . 16328 1 892 . 1 1 114 114 LYS CB C 13 32.356 0.112 . 1 . . . . 203 LYS CB . 16328 1 893 . 1 1 114 114 LYS CD C 13 29.194 0 . 1 . . . . 203 LYS CD . 16328 1 894 . 1 1 114 114 LYS CE C 13 42.073 0 . 1 . . . . 203 LYS CE . 16328 1 895 . 1 1 114 114 LYS CG C 13 25.016 0.037 . 1 . . . . 203 LYS CG . 16328 1 896 . 1 1 114 114 LYS N N 15 119.513 0.036 . 1 . . . . 203 LYS N . 16328 1 897 . 1 1 115 115 ILE H H 1 7.979 0.006 . 1 . . . . 204 ILE H . 16328 1 898 . 1 1 115 115 ILE HA H 1 3.621 0.014 . 1 . . . . 204 ILE HA . 16328 1 899 . 1 1 115 115 ILE HB H 1 1.933 0.01 . 1 . . . . 204 ILE HB . 16328 1 900 . 1 1 115 115 ILE HD11 H 1 0.648 0.017 . 1 . . . . 204 ILE HD11 . 16328 1 901 . 1 1 115 115 ILE HD12 H 1 0.648 0.017 . 1 . . . . 204 ILE HD12 . 16328 1 902 . 1 1 115 115 ILE HD13 H 1 0.648 0.017 . 1 . . . . 204 ILE HD12 . 16328 1 903 . 1 1 115 115 ILE HG12 H 1 0.818 0.005 . 1 . . . . 204 ILE HG12 . 16328 1 904 . 1 1 115 115 ILE HG13 H 1 1.555 0.008 . 1 . . . . 204 ILE HG13 . 16328 1 905 . 1 1 115 115 ILE HG21 H 1 0.794 0.017 . 1 . . . . 204 ILE HG2 . 16328 1 906 . 1 1 115 115 ILE HG22 H 1 0.794 0.017 . 1 . . . . 204 ILE HG2 . 16328 1 907 . 1 1 115 115 ILE HG23 H 1 0.794 0.017 . 1 . . . . 204 ILE HG2 . 16328 1 908 . 1 1 115 115 ILE CA C 13 64.793 0.112 . 1 . . . . 204 ILE CA . 16328 1 909 . 1 1 115 115 ILE CB C 13 37.41 0.186 . 1 . . . . 204 ILE CB . 16328 1 910 . 1 1 115 115 ILE CD1 C 13 13.532 0.013 . 1 . . . . 204 ILE CD1 . 16328 1 911 . 1 1 115 115 ILE CG1 C 13 28.667 0.079 . 1 . . . . 204 ILE CG1 . 16328 1 912 . 1 1 115 115 ILE CG2 C 13 18.639 0.078 . 1 . . . . 204 ILE CG2 . 16328 1 913 . 1 1 115 115 ILE N N 15 119.815 0.034 . 1 . . . . 204 ILE N . 16328 1 914 . 1 1 116 116 MET H H 1 8.817 0.005 . 1 . . . . 205 MET H . 16328 1 915 . 1 1 116 116 MET HA H 1 3.444 0.017 . 1 . . . . 205 MET HA . 16328 1 916 . 1 1 116 116 MET HB2 H 1 1.757 0.077 . 1 . . . . 205 MET HB2 . 16328 1 917 . 1 1 116 116 MET HB3 H 1 1.977 0.014 . 1 . . . . 205 MET HB3 . 16328 1 918 . 1 1 116 116 MET HE1 H 1 1.498 0.011 . 1 . . . . 205 MET HE . 16328 1 919 . 1 1 116 116 MET HE2 H 1 1.498 0.011 . 1 . . . . 205 MET HE . 16328 1 920 . 1 1 116 116 MET HE3 H 1 1.498 0.011 . 1 . . . . 205 MET HE . 16328 1 921 . 1 1 116 116 MET HG2 H 1 2.039 0.002 . 1 . . . . 205 MET HG2 . 16328 1 922 . 1 1 116 116 MET HG3 H 1 2.083 0.004 . 1 . . . . 205 MET HG3 . 16328 1 923 . 1 1 116 116 MET CA C 13 60.101 0.019 . 1 . . . . 205 MET CA . 16328 1 924 . 1 1 116 116 MET CB C 13 33.715 0.196 . 1 . . . . 205 MET CB . 16328 1 925 . 1 1 116 116 MET CE C 13 16.23 0.064 . 1 . . . . 205 MET CE . 16328 1 926 . 1 1 116 116 MET CG C 13 32.051 0.011 . 1 . . . . 205 MET CG . 16328 1 927 . 1 1 116 116 MET N N 15 119.193 0.045 . 1 . . . . 205 MET N . 16328 1 928 . 1 1 117 117 GLU H H 1 8.503 0.01 . 1 . . . . 206 GLU H . 16328 1 929 . 1 1 117 117 GLU HA H 1 3.629 0.014 . 1 . . . . 206 GLU HA . 16328 1 930 . 1 1 117 117 GLU HB3 H 1 2.203 0.01 . 1 . . . . 206 GLU HB3 . 16328 1 931 . 1 1 117 117 GLU HG2 H 1 2.133 0.008 . 1 . . . . 206 GLU HG2 . 16328 1 932 . 1 1 117 117 GLU HG3 H 1 2.577 0.014 . 1 . . . . 206 GLU HG3 . 16328 1 933 . 1 1 117 117 GLU CA C 13 60.68 0.079 . 1 . . . . 206 GLU CA . 16328 1 934 . 1 1 117 117 GLU CB C 13 28.457 0.121 . 1 . . . . 206 GLU CB . 16328 1 935 . 1 1 117 117 GLU CG C 13 36.727 0.351 . 1 . . . . 206 GLU CG . 16328 1 936 . 1 1 117 117 GLU N N 15 117.055 0.025 . 1 . . . . 206 GLU N . 16328 1 937 . 1 1 118 118 ARG H H 1 7.215 0.004 . 1 . . . . 207 ARG H . 16328 1 938 . 1 1 118 118 ARG HA H 1 4.162 0.016 . 1 . . . . 207 ARG HA . 16328 1 939 . 1 1 118 118 ARG HB3 H 1 1.897 0.016 . 1 . . . . 207 ARG HB3 . 16328 1 940 . 1 1 118 118 ARG HD2 H 1 3.14 0.004 . 1 . . . . 207 ARG HD2 . 16328 1 941 . 1 1 118 118 ARG HD3 H 1 3.203 0.025 . 1 . . . . 207 ARG HD3 . 16328 1 942 . 1 1 118 118 ARG HE H 1 7.327 0.004 . 1 . . . . 207 ARG HE . 16328 1 943 . 1 1 118 118 ARG HG2 H 1 1.708 0.014 . 1 . . . . 207 ARG HG2 . 16328 1 944 . 1 1 118 118 ARG HG3 H 1 1.79 0.001 . 1 . . . . 207 ARG HG3 . 16328 1 945 . 1 1 118 118 ARG CA C 13 58.572 0.033 . 1 . . . . 207 ARG CA . 16328 1 946 . 1 1 118 118 ARG CB C 13 30.117 0.041 . 1 . . . . 207 ARG CB . 16328 1 947 . 1 1 118 118 ARG CD C 13 42.955 0.061 . 1 . . . . 207 ARG CD . 16328 1 948 . 1 1 118 118 ARG CG C 13 26.942 0.08 . 1 . . . . 207 ARG CG . 16328 1 949 . 1 1 118 118 ARG N N 15 117.987 0.047 . 1 . . . . 207 ARG N . 16328 1 950 . 1 1 119 119 VAL H H 1 8.271 0.009 . 1 . . . . 208 VAL H . 16328 1 951 . 1 1 119 119 VAL HA H 1 3.498 0.026 . 1 . . . . 208 VAL HA . 16328 1 952 . 1 1 119 119 VAL HB H 1 2.1 0.01 . 1 . . . . 208 VAL HB . 16328 1 953 . 1 1 119 119 VAL HG11 H 1 1.099 0.019 . 1 . . . . 208 VAL HG1 . 16328 1 954 . 1 1 119 119 VAL HG12 H 1 1.099 0.019 . 1 . . . . 208 VAL HG1 . 16328 1 955 . 1 1 119 119 VAL HG13 H 1 1.099 0.019 . 1 . . . . 208 VAL HG1 . 16328 1 956 . 1 1 119 119 VAL HG21 H 1 1.038 0.016 . 1 . . . . 208 VAL HG2 . 16328 1 957 . 1 1 119 119 VAL HG22 H 1 1.038 0.016 . 1 . . . . 208 VAL HG2 . 16328 1 958 . 1 1 119 119 VAL HG23 H 1 1.038 0.016 . 1 . . . . 208 VAL HG2 . 16328 1 959 . 1 1 119 119 VAL CA C 13 66.299 0.071 . 1 . . . . 208 VAL CA . 16328 1 960 . 1 1 119 119 VAL CB C 13 32.559 0.046 . 1 . . . . 208 VAL CB . 16328 1 961 . 1 1 119 119 VAL CG1 C 13 21.285 0.045 . 2 . . . . 208 VAL CG1 . 16328 1 962 . 1 1 119 119 VAL CG2 C 13 23.433 0.062 . 2 . . . . 208 VAL CG2 . 16328 1 963 . 1 1 119 119 VAL N N 15 120.338 0.06 . 1 . . . . 208 VAL N . 16328 1 964 . 1 1 120 120 VAL H H 1 8.988 0.008 . 1 . . . . 209 VAL H . 16328 1 965 . 1 1 120 120 VAL HA H 1 3.625 0.02 . 1 . . . . 209 VAL HA . 16328 1 966 . 1 1 120 120 VAL HB H 1 2.17 0.017 . 1 . . . . 209 VAL HB . 16328 1 967 . 1 1 120 120 VAL HG11 H 1 0.952 0.015 . 1 . . . . 209 VAL HG1 . 16328 1 968 . 1 1 120 120 VAL HG12 H 1 0.952 0.015 . 1 . . . . 209 VAL HG1 . 16328 1 969 . 1 1 120 120 VAL HG13 H 1 0.952 0.015 . 1 . . . . 209 VAL HG1 . 16328 1 970 . 1 1 120 120 VAL HG21 H 1 1.207 0.021 . 1 . . . . 209 VAL HG2 . 16328 1 971 . 1 1 120 120 VAL HG22 H 1 1.207 0.021 . 1 . . . . 209 VAL HG2 . 16328 1 972 . 1 1 120 120 VAL HG23 H 1 1.207 0.021 . 1 . . . . 209 VAL HG2 . 16328 1 973 . 1 1 120 120 VAL CA C 13 66.157 0.088 . 1 . . . . 209 VAL CA . 16328 1 974 . 1 1 120 120 VAL CB C 13 31.162 0.045 . 1 . . . . 209 VAL CB . 16328 1 975 . 1 1 120 120 VAL CG1 C 13 24.397 0.123 . 2 . . . . 209 VAL CG1 . 16328 1 976 . 1 1 120 120 VAL CG2 C 13 24.938 0.031 . 2 . . . . 209 VAL CG2 . 16328 1 977 . 1 1 120 120 VAL N N 15 119.084 0.052 . 1 . . . . 209 VAL N . 16328 1 978 . 1 1 121 121 GLU H H 1 8.138 0.008 . 1 . . . . 210 GLU H . 16328 1 979 . 1 1 121 121 GLU HA H 1 3.56 0.024 . 1 . . . . 210 GLU HA . 16328 1 980 . 1 1 121 121 GLU HB2 H 1 1.964 0.009 . 1 . . . . 210 GLU HB2 . 16328 1 981 . 1 1 121 121 GLU HB3 H 1 2.176 0.024 . 1 . . . . 210 GLU HB3 . 16328 1 982 . 1 1 121 121 GLU HG2 H 1 2.068 0 . 1 . . . . 210 GLU HG2 . 16328 1 983 . 1 1 121 121 GLU HG3 H 1 2.159 0.008 . 1 . . . . 210 GLU HG3 . 16328 1 984 . 1 1 121 121 GLU CA C 13 61.014 0.039 . 1 . . . . 210 GLU CA . 16328 1 985 . 1 1 121 121 GLU CB C 13 29.264 0.129 . 1 . . . . 210 GLU CB . 16328 1 986 . 1 1 121 121 GLU CG C 13 35.829 0 . 1 . . . . 210 GLU CG . 16328 1 987 . 1 1 121 121 GLU N N 15 121.072 0.037 . 1 . . . . 210 GLU N . 16328 1 988 . 1 1 122 122 GLN H H 1 7.222 0.008 . 1 . . . . 211 GLN H . 16328 1 989 . 1 1 122 122 GLN HA H 1 3.959 0.011 . 1 . . . . 211 GLN HA . 16328 1 990 . 1 1 122 122 GLN HB3 H 1 2.386 0.018 . 1 . . . . 211 GLN HB3 . 16328 1 991 . 1 1 122 122 GLN HG3 H 1 2.463 0.014 . 1 . . . . 211 GLN HG3 . 16328 1 992 . 1 1 122 122 GLN CA C 13 58.618 0.058 . 1 . . . . 211 GLN CA . 16328 1 993 . 1 1 122 122 GLN CB C 13 27.81 0.019 . 1 . . . . 211 GLN CB . 16328 1 994 . 1 1 122 122 GLN CG C 13 33.697 0.006 . 1 . . . . 211 GLN CG . 16328 1 995 . 1 1 122 122 GLN N N 15 114.94 0.101 . 1 . . . . 211 GLN N . 16328 1 996 . 1 1 123 123 MET H H 1 7.987 0.005 . 1 . . . . 212 MET H . 16328 1 997 . 1 1 123 123 MET HA H 1 4.107 0.014 . 1 . . . . 212 MET HA . 16328 1 998 . 1 1 123 123 MET HB2 H 1 2.294 0.014 . 1 . . . . 212 MET HB2 . 16328 1 999 . 1 1 123 123 MET HB3 H 1 2.194 0.004 . 1 . . . . 212 MET HB3 . 16328 1 1000 . 1 1 123 123 MET HE1 H 1 2.175 0.02 . 1 . . . . 212 MET HE . 16328 1 1001 . 1 1 123 123 MET HE2 H 1 2.175 0.02 . 1 . . . . 212 MET HE . 16328 1 1002 . 1 1 123 123 MET HE3 H 1 2.175 0.02 . 1 . . . . 212 MET HE . 16328 1 1003 . 1 1 123 123 MET HG2 H 1 2.495 0.012 . 1 . . . . 212 MET HG2 . 16328 1 1004 . 1 1 123 123 MET HG3 H 1 2.741 0.018 . 1 . . . . 212 MET HG3 . 16328 1 1005 . 1 1 123 123 MET CA C 13 59.878 0.078 . 1 . . . . 212 MET CA . 16328 1 1006 . 1 1 123 123 MET CB C 13 35.521 1.014 . 1 . . . . 212 MET CB . 16328 1 1007 . 1 1 123 123 MET CE C 13 17.562 0.04 . 1 . . . . 212 MET CE . 16328 1 1008 . 1 1 123 123 MET CG C 13 32.412 0.027 . 1 . . . . 212 MET CG . 16328 1 1009 . 1 1 123 123 MET N N 15 119.278 0.033 . 1 . . . . 212 MET N . 16328 1 1010 . 1 1 124 124 CYS H H 1 9.236 0.026 . 1 . . . . 213 CYS H . 16328 1 1011 . 1 1 124 124 CYS HA H 1 4.354 0.02 . 1 . . . . 213 CYS HA . 16328 1 1012 . 1 1 124 124 CYS HB2 H 1 2.851 0.016 . 1 . . . . 213 CYS HB2 . 16328 1 1013 . 1 1 124 124 CYS HB3 H 1 3.541 0.013 . 1 . . . . 213 CYS HB3 . 16328 1 1014 . 1 1 124 124 CYS CA C 13 60.057 0.042 . 1 . . . . 213 CYS CA . 16328 1 1015 . 1 1 124 124 CYS CB C 13 42.1 0.076 . 1 . . . . 213 CYS CB . 16328 1 1016 . 1 1 124 124 CYS N N 15 118.973 0.03 . 1 . . . . 213 CYS N . 16328 1 1017 . 1 1 125 125 ILE H H 1 8.326 0.003 . 1 . . . . 214 ILE H . 16328 1 1018 . 1 1 125 125 ILE HA H 1 3.478 0.011 . 1 . . . . 214 ILE HA . 16328 1 1019 . 1 1 125 125 ILE HB H 1 1.968 0.02 . 1 . . . . 214 ILE HB . 16328 1 1020 . 1 1 125 125 ILE HD11 H 1 0.832 0.007 . 1 . . . . 214 ILE HD11 . 16328 1 1021 . 1 1 125 125 ILE HD12 H 1 0.832 0.007 . 1 . . . . 214 ILE HD12 . 16328 1 1022 . 1 1 125 125 ILE HD13 H 1 0.832 0.007 . 1 . . . . 214 ILE HD12 . 16328 1 1023 . 1 1 125 125 ILE HG21 H 1 0.863 0.008 . 1 . . . . 214 ILE HG2 . 16328 1 1024 . 1 1 125 125 ILE HG22 H 1 0.863 0.008 . 1 . . . . 214 ILE HG2 . 16328 1 1025 . 1 1 125 125 ILE HG23 H 1 0.863 0.008 . 1 . . . . 214 ILE HG2 . 16328 1 1026 . 1 1 125 125 ILE CA C 13 66.899 0.058 . 1 . . . . 214 ILE CA . 16328 1 1027 . 1 1 125 125 ILE CB C 13 38.302 0.014 . 1 . . . . 214 ILE CB . 16328 1 1028 . 1 1 125 125 ILE CD1 C 13 14.096 0.025 . 1 . . . . 214 ILE CD1 . 16328 1 1029 . 1 1 125 125 ILE CG2 C 13 16.989 0.08 . 1 . . . . 214 ILE CG2 . 16328 1 1030 . 1 1 125 125 ILE N N 15 123.509 0.063 . 1 . . . . 214 ILE N . 16328 1 1031 . 1 1 126 126 THR H H 1 8.094 0.011 . 1 . . . . 215 THR H . 16328 1 1032 . 1 1 126 126 THR HA H 1 3.88 0.012 . 1 . . . . 215 THR HA . 16328 1 1033 . 1 1 126 126 THR HB H 1 4.294 0.009 . 1 . . . . 215 THR HB . 16328 1 1034 . 1 1 126 126 THR HG21 H 1 1.235 0.006 . 1 . . . . 215 THR HG2 . 16328 1 1035 . 1 1 126 126 THR HG22 H 1 1.235 0.006 . 1 . . . . 215 THR HG2 . 16328 1 1036 . 1 1 126 126 THR HG23 H 1 1.235 0.006 . 1 . . . . 215 THR HG2 . 16328 1 1037 . 1 1 126 126 THR CA C 13 67.15 0.092 . 1 . . . . 215 THR CA . 16328 1 1038 . 1 1 126 126 THR CB C 13 68.292 0.114 . 1 . . . . 215 THR CB . 16328 1 1039 . 1 1 126 126 THR CG2 C 13 22.058 0.075 . 1 . . . . 215 THR CG2 . 16328 1 1040 . 1 1 126 126 THR N N 15 118.315 0.084 . 1 . . . . 215 THR N . 16328 1 1041 . 1 1 127 127 GLN H H 1 8.758 0.015 . 1 . . . . 216 GLN H . 16328 1 1042 . 1 1 127 127 GLN HA H 1 3.683 0.008 . 1 . . . . 216 GLN HA . 16328 1 1043 . 1 1 127 127 GLN HB2 H 1 1.687 0.013 . 1 . . . . 216 GLN HB2 . 16328 1 1044 . 1 1 127 127 GLN HB3 H 1 2.254 0.157 . 1 . . . . 216 GLN HB3 . 16328 1 1045 . 1 1 127 127 GLN HG3 H 1 1.592 0.007 . 1 . . . . 216 GLN HG3 . 16328 1 1046 . 1 1 127 127 GLN CA C 13 58.771 0.047 . 1 . . . . 216 GLN CA . 16328 1 1047 . 1 1 127 127 GLN CB C 13 28.249 0.082 . 1 . . . . 216 GLN CB . 16328 1 1048 . 1 1 127 127 GLN CG C 13 32.376 0 . 1 . . . . 216 GLN CG . 16328 1 1049 . 1 1 127 127 GLN N N 15 122.469 0.045 . 1 . . . . 216 GLN N . 16328 1 1050 . 1 1 128 128 TYR H H 1 8.493 0.005 . 1 . . . . 217 TYR H . 16328 1 1051 . 1 1 128 128 TYR HA H 1 2.937 0.013 . 1 . . . . 217 TYR HA . 16328 1 1052 . 1 1 128 128 TYR HB2 H 1 2.103 0.023 . 2 . . . . 217 TYR HB2 . 16328 1 1053 . 1 1 128 128 TYR HD1 H 1 6.15 0.006 . 3 . . . . 217 TYR HD1 . 16328 1 1054 . 1 1 128 128 TYR HE2 H 1 8.285 0 . 3 . . . . 217 TYR HE2 . 16328 1 1055 . 1 1 128 128 TYR CA C 13 62.076 0.068 . 1 . . . . 217 TYR CA . 16328 1 1056 . 1 1 128 128 TYR CB C 13 37.162 0 . 1 . . . . 217 TYR CB . 16328 1 1057 . 1 1 128 128 TYR N N 15 119.962 0.041 . 1 . . . . 217 TYR N . 16328 1 1058 . 1 1 129 129 GLN H H 1 8.347 0.008 . 1 . . . . 218 GLN H . 16328 1 1059 . 1 1 129 129 GLN HA H 1 3.737 0.017 . 1 . . . . 218 GLN HA . 16328 1 1060 . 1 1 129 129 GLN HB2 H 1 2.047 0.036 . 1 . . . . 218 GLN HB2 . 16328 1 1061 . 1 1 129 129 GLN HB3 H 1 2.42 0.063 . 1 . . . . 218 GLN HB3 . 16328 1 1062 . 1 1 129 129 GLN HG3 H 1 2.683 0.021 . 1 . . . . 218 GLN HG3 . 16328 1 1063 . 1 1 129 129 GLN CA C 13 59.074 0.086 . 1 . . . . 218 GLN CA . 16328 1 1064 . 1 1 129 129 GLN CB C 13 27.528 0.081 . 1 . . . . 218 GLN CB . 16328 1 1065 . 1 1 129 129 GLN CG C 13 33.783 0 . 1 . . . . 218 GLN CG . 16328 1 1066 . 1 1 129 129 GLN N N 15 120.182 0.094 . 1 . . . . 218 GLN N . 16328 1 1067 . 1 1 130 130 GLN H H 1 8.23 0.009 . 1 . . . . 219 GLN H . 16328 1 1068 . 1 1 130 130 GLN HA H 1 3.995 0.01 . 1 . . . . 219 GLN HA . 16328 1 1069 . 1 1 130 130 GLN HB3 H 1 2.083 0.002 . 1 . . . . 219 GLN HB3 . 16328 1 1070 . 1 1 130 130 GLN HG2 H 1 2.441 0.021 . 1 . . . . 219 GLN HG2 . 16328 1 1071 . 1 1 130 130 GLN HG3 H 1 2.361 0.008 . 1 . . . . 219 GLN HG3 . 16328 1 1072 . 1 1 130 130 GLN CA C 13 58.87 0.078 . 1 . . . . 219 GLN CA . 16328 1 1073 . 1 1 130 130 GLN CB C 13 28.517 0.053 . 1 . . . . 219 GLN CB . 16328 1 1074 . 1 1 130 130 GLN CG C 13 33.772 0.18 . 1 . . . . 219 GLN CG . 16328 1 1075 . 1 1 130 130 GLN N N 15 118.839 0.054 . 1 . . . . 219 GLN N . 16328 1 1076 . 1 1 131 131 GLU H H 1 8.489 0.007 . 1 . . . . 220 GLU H . 16328 1 1077 . 1 1 131 131 GLU HA H 1 4.081 0.009 . 1 . . . . 220 GLU HA . 16328 1 1078 . 1 1 131 131 GLU HB2 H 1 1.727 0.03 . 1 . . . . 220 GLU HB2 . 16328 1 1079 . 1 1 131 131 GLU HB3 H 1 2.124 0.009 . 1 . . . . 220 GLU HB3 . 16328 1 1080 . 1 1 131 131 GLU HG2 H 1 2.416 0.005 . 1 . . . . 220 GLU HG2 . 16328 1 1081 . 1 1 131 131 GLU HG3 H 1 2.194 0.009 . 1 . . . . 220 GLU HG3 . 16328 1 1082 . 1 1 131 131 GLU CA C 13 58.131 0.104 . 1 . . . . 220 GLU CA . 16328 1 1083 . 1 1 131 131 GLU CB C 13 29.672 0.047 . 1 . . . . 220 GLU CB . 16328 1 1084 . 1 1 131 131 GLU CG C 13 36.766 0.086 . 1 . . . . 220 GLU CG . 16328 1 1085 . 1 1 131 131 GLU N N 15 118.774 0.027 . 1 . . . . 220 GLU N . 16328 1 1086 . 1 1 132 132 SER H H 1 8.442 0.008 . 1 . . . . 221 SER H . 16328 1 1087 . 1 1 132 132 SER HA H 1 3.966 0.019 . 1 . . . . 221 SER HA . 16328 1 1088 . 1 1 132 132 SER HB2 H 1 3.361 0.012 . 1 . . . . 221 SER HB2 . 16328 1 1089 . 1 1 132 132 SER HB3 H 1 3.571 0.011 . 1 . . . . 221 SER HB3 . 16328 1 1090 . 1 1 132 132 SER CA C 13 61.629 0.034 . 1 . . . . 221 SER CA . 16328 1 1091 . 1 1 132 132 SER CB C 13 62.203 0.028 . 1 . . . . 221 SER CB . 16328 1 1092 . 1 1 132 132 SER N N 15 116.655 0.05 . 1 . . . . 221 SER N . 16328 1 1093 . 1 1 133 133 GLN H H 1 7.824 0.005 . 1 . . . . 222 GLN H . 16328 1 1094 . 1 1 133 133 GLN HA H 1 4.17 0.013 . 1 . . . . 222 GLN HA . 16328 1 1095 . 1 1 133 133 GLN HB3 H 1 2.146 0.014 . 1 . . . . 222 GLN HB3 . 16328 1 1096 . 1 1 133 133 GLN HG2 H 1 2.432 0 . 1 . . . . 222 GLN HG2 . 16328 1 1097 . 1 1 133 133 GLN HG3 H 1 2.477 0.017 . 1 . . . . 222 GLN HG3 . 16328 1 1098 . 1 1 133 133 GLN CA C 13 58.549 0.046 . 1 . . . . 222 GLN CA . 16328 1 1099 . 1 1 133 133 GLN CB C 13 28.148 0.118 . 1 . . . . 222 GLN CB . 16328 1 1100 . 1 1 133 133 GLN CG C 13 33.703 0.07 . 1 . . . . 222 GLN CG . 16328 1 1101 . 1 1 133 133 GLN N N 15 122.226 0.026 . 1 . . . . 222 GLN N . 16328 1 1102 . 1 1 134 134 ALA H H 1 7.842 0.012 . 1 . . . . 223 ALA H . 16328 1 1103 . 1 1 134 134 ALA HA H 1 4.195 0.008 . 1 . . . . 223 ALA HA . 16328 1 1104 . 1 1 134 134 ALA HB1 H 1 1.496 0.01 . 1 . . . . 223 ALA HB . 16328 1 1105 . 1 1 134 134 ALA HB2 H 1 1.496 0.01 . 1 . . . . 223 ALA HB . 16328 1 1106 . 1 1 134 134 ALA HB3 H 1 1.496 0.01 . 1 . . . . 223 ALA HB . 16328 1 1107 . 1 1 134 134 ALA CA C 13 54.81 0.047 . 1 . . . . 223 ALA CA . 16328 1 1108 . 1 1 134 134 ALA CB C 13 18.022 0.079 . 1 . . . . 223 ALA CB . 16328 1 1109 . 1 1 134 134 ALA N N 15 122.207 0.058 . 1 . . . . 223 ALA N . 16328 1 1110 . 1 1 135 135 ALA H H 1 8.004 0.008 . 1 . . . . 224 ALA H . 16328 1 1111 . 1 1 135 135 ALA HA H 1 4.059 0.004 . 1 . . . . 224 ALA HA . 16328 1 1112 . 1 1 135 135 ALA HB1 H 1 1.454 0.006 . 1 . . . . 224 ALA HB . 16328 1 1113 . 1 1 135 135 ALA HB2 H 1 1.454 0.006 . 1 . . . . 224 ALA HB . 16328 1 1114 . 1 1 135 135 ALA HB3 H 1 1.454 0.006 . 1 . . . . 224 ALA HB . 16328 1 1115 . 1 1 135 135 ALA CA C 13 55.472 1.807 . 1 . . . . 224 ALA CA . 16328 1 1116 . 1 1 135 135 ALA CB C 13 18.096 0.039 . 1 . . . . 224 ALA CB . 16328 1 1117 . 1 1 135 135 ALA N N 15 120.665 0.05 . 1 . . . . 224 ALA N . 16328 1 1118 . 1 1 136 136 TYR H H 1 7.965 0.004 . 1 . . . . 225 TYR H . 16328 1 1119 . 1 1 136 136 TYR HA H 1 4.313 0.015 . 1 . . . . 225 TYR HA . 16328 1 1120 . 1 1 136 136 TYR HB2 H 1 3.163 0.006 . 1 . . . . 225 TYR HB2 . 16328 1 1121 . 1 1 136 136 TYR HB3 H 1 3.18 0.007 . 1 . . . . 225 TYR HB3 . 16328 1 1122 . 1 1 136 136 TYR HD1 H 1 7.134 0.006 . 3 . . . . 225 TYR HD1 . 16328 1 1123 . 1 1 136 136 TYR CA C 13 60.419 0.055 . 1 . . . . 225 TYR CA . 16328 1 1124 . 1 1 136 136 TYR CB C 13 37.952 0.05 . 1 . . . . 225 TYR CB . 16328 1 1125 . 1 1 136 136 TYR N N 15 120.588 0.046 . 1 . . . . 225 TYR N . 16328 1 1126 . 1 1 137 137 GLN H H 1 8.103 0.003 . 1 . . . . 226 GLN H . 16328 1 1127 . 1 1 137 137 GLN HA H 1 3.914 0.013 . 1 . . . . 226 GLN HA . 16328 1 1128 . 1 1 137 137 GLN HB3 H 1 2.166 0.015 . 1 . . . . 226 GLN HB3 . 16328 1 1129 . 1 1 137 137 GLN HG2 H 1 2.453 0.006 . 1 . . . . 226 GLN HG2 . 16328 1 1130 . 1 1 137 137 GLN HG3 H 1 2.496 0.005 . 1 . . . . 226 GLN HG3 . 16328 1 1131 . 1 1 137 137 GLN CA C 13 58.254 0.065 . 1 . . . . 226 GLN CA . 16328 1 1132 . 1 1 137 137 GLN CB C 13 28.087 0.021 . 1 . . . . 226 GLN CB . 16328 1 1133 . 1 1 137 137 GLN CG C 13 33.734 0.039 . 1 . . . . 226 GLN CG . 16328 1 1134 . 1 1 137 137 GLN N N 15 118.362 0.055 . 1 . . . . 226 GLN N . 16328 1 1135 . 1 1 138 138 ARG H H 1 8.068 0.004 . 1 . . . . 227 ARG H . 16328 1 1136 . 1 1 138 138 ARG HA H 1 4.102 0.021 . 1 . . . . 227 ARG HA . 16328 1 1137 . 1 1 138 138 ARG HB2 H 1 1.814 0.023 . 1 . . . . 227 ARG HB2 . 16328 1 1138 . 1 1 138 138 ARG HB3 H 1 1.92 0.01 . 1 . . . . 227 ARG HB3 . 16328 1 1139 . 1 1 138 138 ARG HD2 H 1 3.185 0.02 . 1 . . . . 227 ARG HD2 . 16328 1 1140 . 1 1 138 138 ARG HD3 H 1 3.275 0.021 . 1 . . . . 227 ARG HD3 . 16328 1 1141 . 1 1 138 138 ARG HG2 H 1 1.823 0.006 . 1 . . . . 227 ARG HG2 . 16328 1 1142 . 1 1 138 138 ARG HG3 H 1 1.616 0.017 . 1 . . . . 227 ARG HG3 . 16328 1 1143 . 1 1 138 138 ARG CA C 13 58.877 0.076 . 1 . . . . 227 ARG CA . 16328 1 1144 . 1 1 138 138 ARG CB C 13 30.354 0.147 . 1 . . . . 227 ARG CB . 16328 1 1145 . 1 1 138 138 ARG CD C 13 43.378 0.122 . 1 . . . . 227 ARG CD . 16328 1 1146 . 1 1 138 138 ARG CG C 13 27.966 0.063 . 1 . . . . 227 ARG CG . 16328 1 1147 . 1 1 138 138 ARG N N 15 118.977 0.032 . 1 . . . . 227 ARG N . 16328 1 1148 . 1 1 139 139 ALA H H 1 7.73 0.006 . 1 . . . . 228 ALA H . 16328 1 1149 . 1 1 139 139 ALA HA H 1 4.149 0.011 . 1 . . . . 228 ALA HA . 16328 1 1150 . 1 1 139 139 ALA HB1 H 1 1.442 0.004 . 1 . . . . 228 ALA HB . 16328 1 1151 . 1 1 139 139 ALA HB2 H 1 1.442 0.004 . 1 . . . . 228 ALA HB . 16328 1 1152 . 1 1 139 139 ALA HB3 H 1 1.442 0.004 . 1 . . . . 228 ALA HB . 16328 1 1153 . 1 1 139 139 ALA CA C 13 54.021 0.084 . 1 . . . . 228 ALA CA . 16328 1 1154 . 1 1 139 139 ALA CB C 13 18.035 0.072 . 1 . . . . 228 ALA CB . 16328 1 1155 . 1 1 139 139 ALA N N 15 121.966 0.056 . 1 . . . . 228 ALA N . 16328 1 stop_ save_