data_16616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16616 _Entry.Title ; assignment for the I214V variant of rabbit prion protein (91-228) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-24 _Entry.Accession_date 2009-11-24 _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 . . . 16616 2 Yi Wen . . . 16616 3 Donghai Lin . . . 16616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 16616 '15N chemical shifts' 139 16616 '1H chemical shifts' 874 16616 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 . . 2010-10-18 2009-11-24 update BMRB 'update entry citation' 16616 1 . . 2010-10-13 2009-11-24 original author 'original release' 16616 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOM . 16616 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20949107 _Citation.Full_citation . _Citation.Title 'Solution Structure and Dynamics of the I214V Mutant of the Rabbit Prion Protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 5 _Citation.Journal_issue 10 _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 e13273 _Citation.Page_last . _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 . . . 16616 1 2 Jun Li . . . 16616 1 3 Minqian Xiong . . . 16616 1 4 Yu Peng . . . 16616 1 5 Wenming Yao . . . 16616 1 6 Jing Hong . . . 16616 1 7 Donghai Lin . . . 16616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16616 _Assembly.ID 1 _Assembly.Name monomer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 16000 _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 'peptide chain' 1 $prion A . yes native no no . . . 16616 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 . . . . . . . . . . 16616 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2JOM . . 'solution NMR' . . . 16616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_prion _Entity.Sf_category entity _Entity.Sf_framecode prion _Entity.Entry_ID 16616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name prion _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 NQNSFVHDCVNITVKQHTVT TTTKGENFTETDIKIMERVV EQMCVTQYQQESQAAYQRAH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '91,Q 92,G 93,G ... 227,R 228,A' _Entity.Polymer_author_seq_details 'The first residue (M) and the last six residues (His tag) come from the vector of pET30a.' _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 . _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 97.83 99.28 3.63e-96 . . . . 16616 1 2 no BMRB 15399 . "rpp I214V" . . . . . 95.17 138 100.00 100.00 2.51e-98 . . . . 16616 1 3 no BMRB 16328 . prion_protein . . . . . 100.00 145 98.62 100.00 2.81e-103 . . . . 16616 1 4 no PDB 2FJ3 . "Nmr Solution Of Rabbit Prion Protein (91-228)" . . . . . 95.17 138 99.28 100.00 3.27e-98 . . . . 16616 1 5 no PDB 2JOH . "Nmr Structure Of Rabbit Prion Protein Mutation S173n" . . . . . 100.69 148 97.26 98.63 1.49e-100 . . . . 16616 1 6 no PDB 2JOM . "Nmr Structure Of Rabbit Prion Protein Mutation I214v" . . . . . 100.69 148 98.63 98.63 2.65e-101 . . . . 16616 1 7 no PDB 3O79 . "Crystal Structure Of Wild-Type Rabbit Prp 126-230" . . . . . 71.72 105 99.04 100.00 8.79e-71 . . . . 16616 1 8 no PDB 4HLS . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" . . . . . 75.86 132 98.18 100.00 3.84e-74 . . . . 16616 1 9 no PDB 4HMM . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" . . . . . 75.86 132 98.18 100.00 3.84e-74 . . . . 16616 1 10 no PDB 4HMR . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" . . . . . 75.86 132 97.27 100.00 1.64e-73 . . . . 16616 1 11 no GB AAC48697 . "major prion protein [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 4.55e-96 . . . . 16616 1 12 no GB AAD01554 . "prion protein [Oryctolagus cuniculus]" . . . . . 94.48 254 99.27 100.00 1.76e-95 . . . . 16616 1 13 no GB ABL75505 . "prion protein, partial [Oryctolagus cuniculus]" . . . . . 95.17 244 99.28 100.00 2.63e-96 . . . . 16616 1 14 no GB AEM44421 . "prion protein [Ovis aries]" . . . . . 66.90 97 97.94 98.97 2.65e-63 . . . . 16616 1 15 no GB AEM44422 . "prion protein [Ovis aries]" . . . . . 66.90 97 97.94 98.97 5.62e-63 . . . . 16616 1 16 no REF NP_001075490 . "major prion protein precursor [Oryctolagus cuniculus]" . . . . . 94.48 254 99.27 100.00 1.76e-95 . . . . 16616 1 17 no REF XP_008254357 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 4.55e-96 . . . . 16616 1 18 no REF XP_008254358 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 95.17 252 99.28 100.00 4.55e-96 . . . . 16616 1 19 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 4.55e-96 . . . . 16616 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 90 MET . 16616 1 2 91 GLN . 16616 1 3 92 GLY . 16616 1 4 93 GLY . 16616 1 5 94 THR . 16616 1 6 95 HIS . 16616 1 7 96 ASN . 16616 1 8 97 GLN . 16616 1 9 98 TRP . 16616 1 10 99 GLY . 16616 1 11 100 LYS . 16616 1 12 101 PRO . 16616 1 13 102 SER . 16616 1 14 103 LYS . 16616 1 15 104 PRO . 16616 1 16 105 LYS . 16616 1 17 106 THR . 16616 1 18 107 SER . 16616 1 19 108 MET . 16616 1 20 109 LYS . 16616 1 21 110 HIS . 16616 1 22 111 VAL . 16616 1 23 112 ALA . 16616 1 24 113 GLY . 16616 1 25 114 ALA . 16616 1 26 115 ALA . 16616 1 27 116 ALA . 16616 1 28 117 ALA . 16616 1 29 118 GLY . 16616 1 30 119 ALA . 16616 1 31 120 VAL . 16616 1 32 121 VAL . 16616 1 33 122 GLY . 16616 1 34 123 GLY . 16616 1 35 124 LEU . 16616 1 36 125 GLY . 16616 1 37 126 GLY . 16616 1 38 127 TYR . 16616 1 39 128 MET . 16616 1 40 129 LEU . 16616 1 41 130 GLY . 16616 1 42 131 SER . 16616 1 43 132 ALA . 16616 1 44 133 MET . 16616 1 45 134 SER . 16616 1 46 135 ARG . 16616 1 47 136 PRO . 16616 1 48 137 LEU . 16616 1 49 138 ILE . 16616 1 50 139 HIS . 16616 1 51 140 PHE . 16616 1 52 141 GLY . 16616 1 53 142 ASN . 16616 1 54 143 ASP . 16616 1 55 144 TYR . 16616 1 56 145 GLU . 16616 1 57 146 ASP . 16616 1 58 147 ARG . 16616 1 59 148 TYR . 16616 1 60 149 TYR . 16616 1 61 150 ARG . 16616 1 62 151 GLU . 16616 1 63 152 ASN . 16616 1 64 153 MET . 16616 1 65 154 TYR . 16616 1 66 155 ARG . 16616 1 67 156 TYR . 16616 1 68 157 PRO . 16616 1 69 158 ASN . 16616 1 70 159 GLN . 16616 1 71 160 VAL . 16616 1 72 161 TYR . 16616 1 73 162 TYR . 16616 1 74 163 ARG . 16616 1 75 164 PRO . 16616 1 76 165 VAL . 16616 1 77 166 ASP . 16616 1 78 167 GLN . 16616 1 79 168 TYR . 16616 1 80 169 SER . 16616 1 81 170 ASN . 16616 1 82 171 GLN . 16616 1 83 172 ASN . 16616 1 84 173 SER . 16616 1 85 174 PHE . 16616 1 86 175 VAL . 16616 1 87 176 HIS . 16616 1 88 177 ASP . 16616 1 89 178 CYS . 16616 1 90 179 VAL . 16616 1 91 180 ASN . 16616 1 92 181 ILE . 16616 1 93 182 THR . 16616 1 94 183 VAL . 16616 1 95 184 LYS . 16616 1 96 185 GLN . 16616 1 97 186 HIS . 16616 1 98 187 THR . 16616 1 99 188 VAL . 16616 1 100 189 THR . 16616 1 101 190 THR . 16616 1 102 191 THR . 16616 1 103 192 THR . 16616 1 104 193 LYS . 16616 1 105 194 GLY . 16616 1 106 195 GLU . 16616 1 107 196 ASN . 16616 1 108 197 PHE . 16616 1 109 198 THR . 16616 1 110 199 GLU . 16616 1 111 200 THR . 16616 1 112 201 ASP . 16616 1 113 202 ILE . 16616 1 114 203 LYS . 16616 1 115 204 ILE . 16616 1 116 205 MET . 16616 1 117 206 GLU . 16616 1 118 207 ARG . 16616 1 119 208 VAL . 16616 1 120 209 VAL . 16616 1 121 210 GLU . 16616 1 122 211 GLN . 16616 1 123 212 MET . 16616 1 124 213 CYS . 16616 1 125 214 VAL . 16616 1 126 215 THR . 16616 1 127 216 GLN . 16616 1 128 217 TYR . 16616 1 129 218 GLN . 16616 1 130 219 GLN . 16616 1 131 220 GLU . 16616 1 132 221 SER . 16616 1 133 222 GLN . 16616 1 134 223 ALA . 16616 1 135 224 ALA . 16616 1 136 225 TYR . 16616 1 137 226 GLN . 16616 1 138 227 ARG . 16616 1 139 228 ALA . 16616 1 140 229 HIS . 16616 1 141 230 HIS . 16616 1 142 231 HIS . 16616 1 143 232 HIS . 16616 1 144 233 HIS . 16616 1 145 234 HIS . 16616 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 16616 1 . GLN 2 2 16616 1 . GLY 3 3 16616 1 . GLY 4 4 16616 1 . THR 5 5 16616 1 . HIS 6 6 16616 1 . ASN 7 7 16616 1 . GLN 8 8 16616 1 . TRP 9 9 16616 1 . GLY 10 10 16616 1 . LYS 11 11 16616 1 . PRO 12 12 16616 1 . SER 13 13 16616 1 . LYS 14 14 16616 1 . PRO 15 15 16616 1 . LYS 16 16 16616 1 . THR 17 17 16616 1 . SER 18 18 16616 1 . MET 19 19 16616 1 . LYS 20 20 16616 1 . HIS 21 21 16616 1 . VAL 22 22 16616 1 . ALA 23 23 16616 1 . GLY 24 24 16616 1 . ALA 25 25 16616 1 . ALA 26 26 16616 1 . ALA 27 27 16616 1 . ALA 28 28 16616 1 . GLY 29 29 16616 1 . ALA 30 30 16616 1 . VAL 31 31 16616 1 . VAL 32 32 16616 1 . GLY 33 33 16616 1 . GLY 34 34 16616 1 . LEU 35 35 16616 1 . GLY 36 36 16616 1 . GLY 37 37 16616 1 . TYR 38 38 16616 1 . MET 39 39 16616 1 . LEU 40 40 16616 1 . GLY 41 41 16616 1 . SER 42 42 16616 1 . ALA 43 43 16616 1 . MET 44 44 16616 1 . SER 45 45 16616 1 . ARG 46 46 16616 1 . PRO 47 47 16616 1 . LEU 48 48 16616 1 . ILE 49 49 16616 1 . HIS 50 50 16616 1 . PHE 51 51 16616 1 . GLY 52 52 16616 1 . ASN 53 53 16616 1 . ASP 54 54 16616 1 . TYR 55 55 16616 1 . GLU 56 56 16616 1 . ASP 57 57 16616 1 . ARG 58 58 16616 1 . TYR 59 59 16616 1 . TYR 60 60 16616 1 . ARG 61 61 16616 1 . GLU 62 62 16616 1 . ASN 63 63 16616 1 . MET 64 64 16616 1 . TYR 65 65 16616 1 . ARG 66 66 16616 1 . TYR 67 67 16616 1 . PRO 68 68 16616 1 . ASN 69 69 16616 1 . GLN 70 70 16616 1 . VAL 71 71 16616 1 . TYR 72 72 16616 1 . TYR 73 73 16616 1 . ARG 74 74 16616 1 . PRO 75 75 16616 1 . VAL 76 76 16616 1 . ASP 77 77 16616 1 . GLN 78 78 16616 1 . TYR 79 79 16616 1 . SER 80 80 16616 1 . ASN 81 81 16616 1 . GLN 82 82 16616 1 . ASN 83 83 16616 1 . SER 84 84 16616 1 . PHE 85 85 16616 1 . VAL 86 86 16616 1 . HIS 87 87 16616 1 . ASP 88 88 16616 1 . CYS 89 89 16616 1 . VAL 90 90 16616 1 . ASN 91 91 16616 1 . ILE 92 92 16616 1 . THR 93 93 16616 1 . VAL 94 94 16616 1 . LYS 95 95 16616 1 . GLN 96 96 16616 1 . HIS 97 97 16616 1 . THR 98 98 16616 1 . VAL 99 99 16616 1 . THR 100 100 16616 1 . THR 101 101 16616 1 . THR 102 102 16616 1 . THR 103 103 16616 1 . LYS 104 104 16616 1 . GLY 105 105 16616 1 . GLU 106 106 16616 1 . ASN 107 107 16616 1 . PHE 108 108 16616 1 . THR 109 109 16616 1 . GLU 110 110 16616 1 . THR 111 111 16616 1 . ASP 112 112 16616 1 . ILE 113 113 16616 1 . LYS 114 114 16616 1 . ILE 115 115 16616 1 . MET 116 116 16616 1 . GLU 117 117 16616 1 . ARG 118 118 16616 1 . VAL 119 119 16616 1 . VAL 120 120 16616 1 . GLU 121 121 16616 1 . GLN 122 122 16616 1 . MET 123 123 16616 1 . CYS 124 124 16616 1 . VAL 125 125 16616 1 . THR 126 126 16616 1 . GLN 127 127 16616 1 . TYR 128 128 16616 1 . GLN 129 129 16616 1 . GLN 130 130 16616 1 . GLU 131 131 16616 1 . SER 132 132 16616 1 . GLN 133 133 16616 1 . ALA 134 134 16616 1 . ALA 135 135 16616 1 . TYR 136 136 16616 1 . GLN 137 137 16616 1 . ARG 138 138 16616 1 . ALA 139 139 16616 1 . HIS 140 140 16616 1 . HIS 141 141 16616 1 . HIS 142 142 16616 1 . HIS 143 143 16616 1 . HIS 144 144 16616 1 . HIS 145 145 16616 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 16616 _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 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 16616 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 16616 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET30a . . . . . . 16616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16616 _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 '[U-100% 13C; U-100% 15N]' . . 1 $prion . . 1 . . mM . . . . 16616 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16616 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16616 1 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16616 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16616 _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 16616 1 pH 4.5 . pH 16616 1 pressure 1 . atm 16616 1 temperature 298.15 . K 16616 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16616 _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 . . 16616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16616 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 16616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 16616 _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 Unity . 600 . . . 16616 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 16616 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16616 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16616 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16616 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16616 _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 na indirect 0.251449530 . . . . . . . . . 16616 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 16616 1 N 15 water protons . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16616 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16616 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16616 1 2 '3D HNCACB' . . . 16616 1 3 '3D CBCA(CO)NH' . . . 16616 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16616 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HB2 H 1 2.009 0.001 . 1 . . . . 91 GLN HB2 . 16616 1 2 . 1 1 2 2 GLN HB3 H 1 2.009 0.001 . 1 . . . . 91 GLN HB3 . 16616 1 3 . 1 1 2 2 GLN HG2 H 1 2.339 0.001 . 1 . . . . 91 GLN HG2 . 16616 1 4 . 1 1 2 2 GLN HG3 H 1 2.339 0.001 . 1 . . . . 91 GLN HG3 . 16616 1 5 . 1 1 2 2 GLN CB C 13 29.935 0.001 . 1 . . . . 91 GLN CB . 16616 1 6 . 1 1 3 3 GLY H H 1 8.614 0.001 . 1 . . . . 92 GLY H . 16616 1 7 . 1 1 3 3 GLY HA2 H 1 3.918 0.001 . 1 . . . . 92 GLY HA2 . 16616 1 8 . 1 1 3 3 GLY HA3 H 1 3.918 0.001 . 1 . . . . 92 GLY HA3 . 16616 1 9 . 1 1 3 3 GLY N N 15 111.44 0.001 . 1 . . . . 92 GLY N . 16616 1 10 . 1 1 4 4 GLY H H 1 8.341 0.029 . 1 . . . . 93 GLY H . 16616 1 11 . 1 1 4 4 GLY HA2 H 1 3.971 0.025 . 1 . . . . 93 GLY HA2 . 16616 1 12 . 1 1 4 4 GLY HA3 H 1 3.971 0.025 . 1 . . . . 93 GLY HA3 . 16616 1 13 . 1 1 4 4 GLY CA C 13 45.177 0.001 . 1 . . . . 93 GLY CA . 16616 1 14 . 1 1 4 4 GLY N N 15 108.561 0.071 . 1 . . . . 93 GLY N . 16616 1 15 . 1 1 5 5 THR H H 1 8.134 0.022 . 1 . . . . 94 THR H . 16616 1 16 . 1 1 5 5 THR HA H 1 4.259 0.058 . 1 . . . . 94 THR HA . 16616 1 17 . 1 1 5 5 THR HB H 1 4.166 0.02 . 1 . . . . 94 THR HB . 16616 1 18 . 1 1 5 5 THR HG21 H 1 1.166 0.027 . 1 . . . . 94 THR HG21 . 16616 1 19 . 1 1 5 5 THR HG22 H 1 1.166 0.027 . 1 . . . . 94 THR HG21 . 16616 1 20 . 1 1 5 5 THR HG23 H 1 1.166 0.027 . 1 . . . . 94 THR HG21 . 16616 1 21 . 1 1 5 5 THR CA C 13 62.657 0.146 . 1 . . . . 94 THR CA . 16616 1 22 . 1 1 5 5 THR CB C 13 70.36 0.002 . 1 . . . . 94 THR CB . 16616 1 23 . 1 1 5 5 THR CG2 C 13 22.23 0.399 . 1 . . . . 94 THR CG2 . 16616 1 24 . 1 1 5 5 THR N N 15 113.326 0.096 . 1 . . . . 94 THR N . 16616 1 25 . 1 1 6 6 HIS H H 1 8.573 0.001 . 1 . . . . 95 HIS H . 16616 1 26 . 1 1 6 6 HIS HA H 1 4.582 0.028 . 1 . . . . 95 HIS HA . 16616 1 27 . 1 1 6 6 HIS HB2 H 1 3.062 0.001 . 1 . . . . 95 HIS HB2 . 16616 1 28 . 1 1 6 6 HIS HB3 H 1 3.135 0.017 . 1 . . . . 95 HIS HB3 . 16616 1 29 . 1 1 6 6 HIS HD2 H 1 7.09 0.001 . 1 . . . . 95 HIS HD2 . 16616 1 30 . 1 1 6 6 HIS CA C 13 56.578 0.087 . 1 . . . . 95 HIS CA . 16616 1 31 . 1 1 6 6 HIS CB C 13 30.082 0.135 . 1 . . . . 95 HIS CB . 16616 1 32 . 1 1 6 6 HIS N N 15 120.62 0.001 . 1 . . . . 95 HIS N . 16616 1 33 . 1 1 7 7 ASN H H 1 8.39 0.009 . 1 . . . . 96 ASN H . 16616 1 34 . 1 1 7 7 ASN HA H 1 4.581 0.007 . 1 . . . . 96 ASN HA . 16616 1 35 . 1 1 7 7 ASN HB2 H 1 2.631 0.016 . 1 . . . . 96 ASN HB2 . 16616 1 36 . 1 1 7 7 ASN HB3 H 1 2.631 0.016 . 1 . . . . 96 ASN HB3 . 16616 1 37 . 1 1 7 7 ASN CB C 13 38.808 0.14 . 1 . . . . 96 ASN CB . 16616 1 38 . 1 1 7 7 ASN N N 15 119.924 0.001 . 1 . . . . 96 ASN N . 16616 1 39 . 1 1 8 8 GLN H H 1 8.364 0.001 . 1 . . . . 97 GLN H . 16616 1 40 . 1 1 8 8 GLN HA H 1 4.206 0.013 . 1 . . . . 97 GLN HA . 16616 1 41 . 1 1 8 8 GLN HB2 H 1 1.839 0.003 . 1 . . . . 97 GLN HB2 . 16616 1 42 . 1 1 8 8 GLN HB3 H 1 1.811 0.006 . 1 . . . . 97 GLN HB3 . 16616 1 43 . 1 1 8 8 GLN HG2 H 1 2.179 0.001 . 1 . . . . 97 GLN HG2 . 16616 1 44 . 1 1 8 8 GLN CA C 13 57.171 0.206 . 1 . . . . 97 GLN CA . 16616 1 45 . 1 1 8 8 GLN CB C 13 29.629 0.102 . 1 . . . . 97 GLN CB . 16616 1 46 . 1 1 8 8 GLN N N 15 120.673 0.066 . 1 . . . . 97 GLN N . 16616 1 47 . 1 1 9 9 TRP H H 1 8.126 0.001 . 1 . . . . 98 TRP H . 16616 1 48 . 1 1 9 9 TRP HA H 1 4.703 0.044 . 1 . . . . 98 TRP HA . 16616 1 49 . 1 1 9 9 TRP HB2 H 1 3.205 0.003 . 1 . . . . 98 TRP HB2 . 16616 1 50 . 1 1 9 9 TRP HB3 H 1 3.348 0.006 . 1 . . . . 98 TRP HB3 . 16616 1 51 . 1 1 9 9 TRP HD1 H 1 7.604 0.001 . 1 . . . . 98 TRP HD1 . 16616 1 52 . 1 1 9 9 TRP HE3 H 1 7.213 0.001 . 1 . . . . 98 TRP HE3 . 16616 1 53 . 1 1 9 9 TRP HZ3 H 1 6.609 0.023 . 1 . . . . 98 TRP HZ3 . 16616 1 54 . 1 1 9 9 TRP CA C 13 57.979 0.019 . 1 . . . . 98 TRP CA . 16616 1 55 . 1 1 9 9 TRP CB C 13 30.068 0.038 . 1 . . . . 98 TRP CB . 16616 1 56 . 1 1 9 9 TRP N N 15 121.861 0.001 . 1 . . . . 98 TRP N . 16616 1 57 . 1 1 10 10 GLY H H 1 8.179 0.008 . 1 . . . . 99 GLY H . 16616 1 58 . 1 1 10 10 GLY HA2 H 1 3.816 0.032 . 1 . . . . 99 GLY HA2 . 16616 1 59 . 1 1 10 10 GLY HA3 H 1 3.816 0.032 . 1 . . . . 99 GLY HA3 . 16616 1 60 . 1 1 10 10 GLY N N 15 110.491 0.363 . 1 . . . . 99 GLY N . 16616 1 61 . 1 1 11 11 LYS H H 1 8.049 0.003 . 1 . . . . 100 LYS H . 16616 1 62 . 1 1 11 11 LYS HA H 1 4.594 0.003 . 1 . . . . 100 LYS HA . 16616 1 63 . 1 1 11 11 LYS HB2 H 1 1.766 0.054 . 1 . . . . 100 LYS HB2 . 16616 1 64 . 1 1 11 11 LYS HB3 H 1 1.708 0.037 . 1 . . . . 100 LYS HB3 . 16616 1 65 . 1 1 11 11 LYS HD2 H 1 1.637 0.001 . 1 . . . . 100 LYS HD2 . 16616 1 66 . 1 1 11 11 LYS HD3 H 1 1.637 0.001 . 1 . . . . 100 LYS HD3 . 16616 1 67 . 1 1 11 11 LYS HE2 H 1 2.994 0.001 . 1 . . . . 100 LYS HE2 . 16616 1 68 . 1 1 11 11 LYS HE3 H 1 2.994 0.001 . 1 . . . . 100 LYS HE3 . 16616 1 69 . 1 1 11 11 LYS HG2 H 1 1.452 0.011 . 1 . . . . 100 LYS HG2 . 16616 1 70 . 1 1 11 11 LYS HG3 H 1 1.452 0.011 . 1 . . . . 100 LYS HG3 . 16616 1 71 . 1 1 11 11 LYS CA C 13 54.885 0.015 . 1 . . . . 100 LYS CA . 16616 1 72 . 1 1 11 11 LYS CB C 13 33.256 0.103 . 1 . . . . 100 LYS CB . 16616 1 73 . 1 1 11 11 LYS CE C 13 42.228 0.001 . 1 . . . . 100 LYS CE . 16616 1 74 . 1 1 11 11 LYS CG C 13 25.26 0.045 . 1 . . . . 100 LYS CG . 16616 1 75 . 1 1 11 11 LYS N N 15 121.664 0.194 . 1 . . . . 100 LYS N . 16616 1 76 . 1 1 12 12 PRO HA H 1 4.433 0.025 . 1 . . . . 101 PRO HA . 16616 1 77 . 1 1 12 12 PRO HB2 H 1 1.896 0.01 . 1 . . . . 101 PRO HB2 . 16616 1 78 . 1 1 12 12 PRO HB3 H 1 2.288 0.012 . 1 . . . . 101 PRO HB3 . 16616 1 79 . 1 1 12 12 PRO HD2 H 1 3.817 0.011 . 1 . . . . 101 PRO HD2 . 16616 1 80 . 1 1 12 12 PRO HD3 H 1 3.626 0.015 . 1 . . . . 101 PRO HD3 . 16616 1 81 . 1 1 12 12 PRO HG2 H 1 1.999 0.013 . 1 . . . . 101 PRO HG2 . 16616 1 82 . 1 1 12 12 PRO HG3 H 1 1.999 0.013 . 1 . . . . 101 PRO HG3 . 16616 1 83 . 1 1 12 12 PRO CA C 13 63.896 0.001 . 1 . . . . 101 PRO CA . 16616 1 84 . 1 1 12 12 PRO CB C 13 32.885 0.048 . 1 . . . . 101 PRO CB . 16616 1 85 . 1 1 12 12 PRO CD C 13 51.409 0.202 . 1 . . . . 101 PRO CD . 16616 1 86 . 1 1 12 12 PRO CG C 13 28.105 0.036 . 1 . . . . 101 PRO CG . 16616 1 87 . 1 1 13 13 SER HA H 1 4.42 0.029 . 1 . . . . 102 SER HA . 16616 1 88 . 1 1 13 13 SER HB2 H 1 3.829 0.001 . 1 . . . . 102 SER HB2 . 16616 1 89 . 1 1 13 13 SER HB3 H 1 3.829 0.001 . 1 . . . . 102 SER HB3 . 16616 1 90 . 1 1 13 13 SER CA C 13 58.917 0.012 . 1 . . . . 102 SER CA . 16616 1 91 . 1 1 13 13 SER CB C 13 64.206 0.001 . 1 . . . . 102 SER CB . 16616 1 92 . 1 1 13 13 SER N N 15 117.097 0.001 . 1 . . . . 102 SER N . 16616 1 93 . 1 1 14 14 LYS H H 1 8.332 0.003 . 1 . . . . 103 LYS H . 16616 1 94 . 1 1 14 14 LYS HA H 1 4.582 0.047 . 1 . . . . 103 LYS HA . 16616 1 95 . 1 1 14 14 LYS HB2 H 1 1.756 0.001 . 1 . . . . 103 LYS HB2 . 16616 1 96 . 1 1 14 14 LYS HB3 H 1 1.791 0.053 . 1 . . . . 103 LYS HB3 . 16616 1 97 . 1 1 14 14 LYS HD2 H 1 1.686 0.029 . 1 . . . . 103 LYS HD2 . 16616 1 98 . 1 1 14 14 LYS HD3 H 1 1.686 0.029 . 1 . . . . 103 LYS HD3 . 16616 1 99 . 1 1 14 14 LYS HE2 H 1 2.92 0.007 . 1 . . . . 103 LYS HE2 . 16616 1 100 . 1 1 14 14 LYS HE3 H 1 2.92 0.007 . 1 . . . . 103 LYS HE3 . 16616 1 101 . 1 1 14 14 LYS HG2 H 1 1.459 0.012 . 1 . . . . 103 LYS HG2 . 16616 1 102 . 1 1 14 14 LYS HG3 H 1 1.459 0.012 . 1 . . . . 103 LYS HG3 . 16616 1 103 . 1 1 14 14 LYS CA C 13 54.885 0.015 . 1 . . . . 103 LYS CA . 16616 1 104 . 1 1 14 14 LYS CB C 13 33.203 0.118 . 1 . . . . 103 LYS CB . 16616 1 105 . 1 1 14 14 LYS CD C 13 29.761 0.057 . 1 . . . . 103 LYS CD . 16616 1 106 . 1 1 14 14 LYS CE C 13 42.699 0.001 . 1 . . . . 103 LYS CE . 16616 1 107 . 1 1 14 14 LYS CG C 13 24.415 0.001 . 1 . . . . 103 LYS CG . 16616 1 108 . 1 1 14 14 LYS N N 15 124.341 0.004 . 1 . . . . 103 LYS N . 16616 1 109 . 1 1 15 15 PRO HA H 1 4.385 0.01 . 1 . . . . 104 PRO HA . 16616 1 110 . 1 1 15 15 PRO HB2 H 1 2.287 0.013 . 1 . . . . 104 PRO HB2 . 16616 1 111 . 1 1 15 15 PRO HB3 H 1 1.877 0.017 . 1 . . . . 104 PRO HB3 . 16616 1 112 . 1 1 15 15 PRO HD2 H 1 3.81 0.017 . 1 . . . . 104 PRO HD2 . 16616 1 113 . 1 1 15 15 PRO HD3 H 1 3.622 0.011 . 1 . . . . 104 PRO HD3 . 16616 1 114 . 1 1 15 15 PRO HG2 H 1 2.029 0.061 . 1 . . . . 104 PRO HG2 . 16616 1 115 . 1 1 15 15 PRO HG3 H 1 2.029 0.061 . 1 . . . . 104 PRO HG3 . 16616 1 116 . 1 1 15 15 PRO CA C 13 63.514 0.001 . 1 . . . . 104 PRO CA . 16616 1 117 . 1 1 15 15 PRO CB C 13 32.91 0.096 . 1 . . . . 104 PRO CB . 16616 1 118 . 1 1 15 15 PRO CD C 13 51.419 0.175 . 1 . . . . 104 PRO CD . 16616 1 119 . 1 1 15 15 PRO CG C 13 28.086 0.022 . 1 . . . . 104 PRO CG . 16616 1 120 . 1 1 16 16 LYS H H 1 8.536 0.002 . 1 . . . . 105 LYS H . 16616 1 121 . 1 1 16 16 LYS HA H 1 4.359 0.028 . 1 . . . . 105 LYS HA . 16616 1 122 . 1 1 16 16 LYS HB2 H 1 1.812 0.001 . 1 . . . . 105 LYS HB2 . 16616 1 123 . 1 1 16 16 LYS HB3 H 1 1.85 0.01 . 1 . . . . 105 LYS HB3 . 16616 1 124 . 1 1 16 16 LYS HD2 H 1 1.655 0.036 . 1 . . . . 105 LYS HD2 . 16616 1 125 . 1 1 16 16 LYS HD3 H 1 1.655 0.036 . 1 . . . . 105 LYS HD3 . 16616 1 126 . 1 1 16 16 LYS HG2 H 1 1.326 0.001 . 1 . . . . 105 LYS HG2 . 16616 1 127 . 1 1 16 16 LYS CB C 13 33.131 0.035 . 1 . . . . 105 LYS CB . 16616 1 128 . 1 1 16 16 LYS CG C 13 25.367 0.001 . 1 . . . . 105 LYS CG . 16616 1 129 . 1 1 16 16 LYS N N 15 122.248 0.012 . 1 . . . . 105 LYS N . 16616 1 130 . 1 1 17 17 THR H H 1 8.134 0.001 . 1 . . . . 106 THR H . 16616 1 131 . 1 1 17 17 THR HA H 1 4.358 0.004 . 1 . . . . 106 THR HA . 16616 1 132 . 1 1 17 17 THR HB H 1 4.223 0.055 . 1 . . . . 106 THR HB . 16616 1 133 . 1 1 17 17 THR HG21 H 1 1.186 0.003 . 1 . . . . 106 THR HG2 . 16616 1 134 . 1 1 17 17 THR HG22 H 1 1.186 0.003 . 1 . . . . 106 THR HG2 . 16616 1 135 . 1 1 17 17 THR HG23 H 1 1.186 0.003 . 1 . . . . 106 THR HG2 . 16616 1 136 . 1 1 17 17 THR CA C 13 62.06 0.289 . 1 . . . . 106 THR CA . 16616 1 137 . 1 1 17 17 THR CB C 13 70.592 0.054 . 1 . . . . 106 THR CB . 16616 1 138 . 1 1 17 17 THR N N 15 115.669 0.001 . 1 . . . . 106 THR N . 16616 1 139 . 1 1 18 18 SER H H 1 8.393 0.001 . 1 . . . . 107 SER H . 16616 1 140 . 1 1 18 18 SER HA H 1 4.456 0.023 . 1 . . . . 107 SER HA . 16616 1 141 . 1 1 18 18 SER HB2 H 1 3.848 0.019 . 1 . . . . 107 SER HB2 . 16616 1 142 . 1 1 18 18 SER HB3 H 1 3.984 0.103 . 1 . . . . 107 SER HB3 . 16616 1 143 . 1 1 18 18 SER CA C 13 58.898 0.001 . 1 . . . . 107 SER CA . 16616 1 144 . 1 1 18 18 SER CB C 13 64.206 0.001 . 1 . . . . 107 SER CB . 16616 1 145 . 1 1 18 18 SER N N 15 118.219 0.13 . 1 . . . . 107 SER N . 16616 1 146 . 1 1 19 19 MET H H 1 8.416 0.001 . 1 . . . . 108 MET H . 16616 1 147 . 1 1 19 19 MET HA H 1 4.474 0.009 . 1 . . . . 108 MET HA . 16616 1 148 . 1 1 19 19 MET HB2 H 1 2.101 0.091 . 1 . . . . 108 MET HB2 . 16616 1 149 . 1 1 19 19 MET HB3 H 1 2.013 0.007 . 1 . . . . 108 MET HB3 . 16616 1 150 . 1 1 19 19 MET HG2 H 1 2.525 0.001 . 1 . . . . 108 MET HG2 . 16616 1 151 . 1 1 19 19 MET CA C 13 55.931 0.362 . 1 . . . . 108 MET CA . 16616 1 152 . 1 1 19 19 MET CB C 13 33.482 0.001 . 1 . . . . 108 MET CB . 16616 1 153 . 1 1 19 19 MET N N 15 122.95 0.009 . 1 . . . . 108 MET N . 16616 1 154 . 1 1 20 20 LYS H H 1 8.296 0.001 . 1 . . . . 109 LYS H . 16616 1 155 . 1 1 20 20 LYS HA H 1 4.263 0.02 . 1 . . . . 109 LYS HA . 16616 1 156 . 1 1 20 20 LYS HB2 H 1 1.712 0.02 . 1 . . . . 109 LYS HB2 . 16616 1 157 . 1 1 20 20 LYS HB3 H 1 1.712 0.02 . 1 . . . . 109 LYS HB3 . 16616 1 158 . 1 1 20 20 LYS HD2 H 1 1.648 0.009 . 1 . . . . 109 LYS HD2 . 16616 1 159 . 1 1 20 20 LYS HD3 H 1 1.648 0.009 . 1 . . . . 109 LYS HD3 . 16616 1 160 . 1 1 20 20 LYS HE2 H 1 2.895 0.001 . 1 . . . . 109 LYS HE2 . 16616 1 161 . 1 1 20 20 LYS HE3 H 1 2.895 0.001 . 1 . . . . 109 LYS HE3 . 16616 1 162 . 1 1 20 20 LYS HG2 H 1 1.412 0.034 . 1 . . . . 109 LYS HG2 . 16616 1 163 . 1 1 20 20 LYS CA C 13 56.485 0.49 . 1 . . . . 109 LYS CA . 16616 1 164 . 1 1 20 20 LYS CB C 13 33.31 0.001 . 1 . . . . 109 LYS CB . 16616 1 165 . 1 1 20 20 LYS CD C 13 29.645 0.001 . 1 . . . . 109 LYS CD . 16616 1 166 . 1 1 20 20 LYS CG C 13 25.451 0.191 . 1 . . . . 109 LYS CG . 16616 1 167 . 1 1 20 20 LYS N N 15 122.861 0.011 . 1 . . . . 109 LYS N . 16616 1 168 . 1 1 21 21 HIS H H 1 8.578 0.01 . 1 . . . . 110 HIS H . 16616 1 169 . 1 1 21 21 HIS HA H 1 4.636 0.047 . 1 . . . . 110 HIS HA . 16616 1 170 . 1 1 21 21 HIS HB2 H 1 3.096 0.026 . 1 . . . . 110 HIS HB2 . 16616 1 171 . 1 1 21 21 HIS HB3 H 1 3.148 0.018 . 1 . . . . 110 HIS HB3 . 16616 1 172 . 1 1 21 21 HIS HD1 H 1 7.098 0.005 . 1 . . . . 110 HIS HD1 . 16616 1 173 . 1 1 21 21 HIS CB C 13 30.145 0.07 . 1 . . . . 110 HIS CB . 16616 1 174 . 1 1 21 21 HIS N N 15 120.868 0.05 . 1 . . . . 110 HIS N . 16616 1 175 . 1 1 22 22 VAL H H 1 8.232 0.001 . 1 . . . . 111 VAL H . 16616 1 176 . 1 1 22 22 VAL HA H 1 4.047 0.045 . 1 . . . . 111 VAL HA . 16616 1 177 . 1 1 22 22 VAL HB H 1 2.01 0.012 . 1 . . . . 111 VAL HB . 16616 1 178 . 1 1 22 22 VAL HG11 H 1 0.884 0.02 . 1 . . . . 111 VAL HG1 . 16616 1 179 . 1 1 22 22 VAL HG12 H 1 0.884 0.02 . 1 . . . . 111 VAL HG1 . 16616 1 180 . 1 1 22 22 VAL HG13 H 1 0.884 0.02 . 1 . . . . 111 VAL HG1 . 16616 1 181 . 1 1 22 22 VAL HG21 H 1 1.054 0.001 . 1 . . . . 111 VAL HG2 . 16616 1 182 . 1 1 22 22 VAL HG22 H 1 1.054 0.001 . 1 . . . . 111 VAL HG2 . 16616 1 183 . 1 1 22 22 VAL HG23 H 1 1.054 0.001 . 1 . . . . 111 VAL HG2 . 16616 1 184 . 1 1 22 22 VAL CA C 13 62.719 0.558 . 1 . . . . 111 VAL CA . 16616 1 185 . 1 1 22 22 VAL CB C 13 33.38 0.007 . 1 . . . . 111 VAL CB . 16616 1 186 . 1 1 22 22 VAL CG1 C 13 21.709 0.016 . 1 . . . . 111 VAL CG1 . 16616 1 187 . 1 1 22 22 VAL CG2 C 13 21.709 0.016 . 1 . . . . 111 VAL CG2 . 16616 1 188 . 1 1 22 22 VAL N N 15 123.017 0.009 . 1 . . . . 111 VAL N . 16616 1 189 . 1 1 23 23 ALA H H 1 8.474 0.002 . 1 . . . . 112 ALA H . 16616 1 190 . 1 1 23 23 ALA HA H 1 4.323 0.04 . 1 . . . . 112 ALA HA . 16616 1 191 . 1 1 23 23 ALA HB1 H 1 1.349 0.031 . 1 . . . . 112 ALA HB . 16616 1 192 . 1 1 23 23 ALA HB2 H 1 1.349 0.031 . 1 . . . . 112 ALA HB . 16616 1 193 . 1 1 23 23 ALA HB3 H 1 1.349 0.031 . 1 . . . . 112 ALA HB . 16616 1 194 . 1 1 23 23 ALA CA C 13 53.212 0.059 . 1 . . . . 112 ALA CA . 16616 1 195 . 1 1 23 23 ALA CB C 13 20.093 0.009 . 1 . . . . 112 ALA CB . 16616 1 196 . 1 1 23 23 ALA N N 15 128.831 0.026 . 1 . . . . 112 ALA N . 16616 1 197 . 1 1 24 24 GLY H H 1 8.361 0.003 . 1 . . . . 113 GLY H . 16616 1 198 . 1 1 24 24 GLY HA2 H 1 3.93 0.006 . 1 . . . . 113 GLY HA2 . 16616 1 199 . 1 1 24 24 GLY HA3 H 1 3.93 0.006 . 1 . . . . 113 GLY HA3 . 16616 1 200 . 1 1 24 24 GLY CA C 13 45.849 0.001 . 1 . . . . 113 GLY CA . 16616 1 201 . 1 1 24 24 GLY N N 15 108.802 0.091 . 1 . . . . 113 GLY N . 16616 1 202 . 1 1 25 25 ALA H H 1 8.158 0.001 . 1 . . . . 114 ALA H . 16616 1 203 . 1 1 25 25 ALA HA H 1 4.278 0.004 . 1 . . . . 114 ALA HA . 16616 1 204 . 1 1 25 25 ALA HB1 H 1 1.379 0.015 . 1 . . . . 114 ALA HB . 16616 1 205 . 1 1 25 25 ALA HB2 H 1 1.379 0.015 . 1 . . . . 114 ALA HB . 16616 1 206 . 1 1 25 25 ALA HB3 H 1 1.379 0.015 . 1 . . . . 114 ALA HB . 16616 1 207 . 1 1 25 25 ALA CA C 13 53.271 0.001 . 1 . . . . 114 ALA CA . 16616 1 208 . 1 1 25 25 ALA CB C 13 19.81 0.258 . 1 . . . . 114 ALA CB . 16616 1 209 . 1 1 25 25 ALA N N 15 123.98 0.018 . 1 . . . . 114 ALA N . 16616 1 210 . 1 1 26 26 ALA H H 1 8.296 0.001 . 1 . . . . 115 ALA H . 16616 1 211 . 1 1 26 26 ALA HA H 1 4.274 0.001 . 1 . . . . 115 ALA HA . 16616 1 212 . 1 1 26 26 ALA HB1 H 1 1.37 0.001 . 1 . . . . 115 ALA HB . 16616 1 213 . 1 1 26 26 ALA HB2 H 1 1.37 0.001 . 1 . . . . 115 ALA HB . 16616 1 214 . 1 1 26 26 ALA HB3 H 1 1.37 0.001 . 1 . . . . 115 ALA HB . 16616 1 215 . 1 1 26 26 ALA CA C 13 53.271 0.001 . 1 . . . . 115 ALA CA . 16616 1 216 . 1 1 26 26 ALA N N 15 123.497 0.035 . 1 . . . . 115 ALA N . 16616 1 217 . 1 1 27 27 ALA HA H 1 4.279 0.007 . 1 . . . . 116 ALA HA . 16616 1 218 . 1 1 27 27 ALA HB1 H 1 1.389 0.018 . 1 . . . . 116 ALA HB . 16616 1 219 . 1 1 27 27 ALA HB2 H 1 1.389 0.018 . 1 . . . . 116 ALA HB . 16616 1 220 . 1 1 27 27 ALA HB3 H 1 1.389 0.018 . 1 . . . . 116 ALA HB . 16616 1 221 . 1 1 27 27 ALA CA C 13 53.105 0.255 . 1 . . . . 116 ALA CA . 16616 1 222 . 1 1 28 28 ALA H H 1 8.214 0.001 . 1 . . . . 117 ALA H . 16616 1 223 . 1 1 28 28 ALA HA H 1 4.284 0.015 . 1 . . . . 117 ALA HA . 16616 1 224 . 1 1 28 28 ALA HB1 H 1 1.37 0.027 . 1 . . . . 117 ALA HB . 16616 1 225 . 1 1 28 28 ALA HB2 H 1 1.37 0.027 . 1 . . . . 117 ALA HB . 16616 1 226 . 1 1 28 28 ALA HB3 H 1 1.37 0.027 . 1 . . . . 117 ALA HB . 16616 1 227 . 1 1 28 28 ALA CA C 13 53.271 0.001 . 1 . . . . 117 ALA CA . 16616 1 228 . 1 1 28 28 ALA CB C 13 20.078 0.001 . 1 . . . . 117 ALA CB . 16616 1 229 . 1 1 28 28 ALA N N 15 123.546 0.003 . 1 . . . . 117 ALA N . 16616 1 230 . 1 1 29 29 GLY H H 1 8.281 0.007 . 1 . . . . 118 GLY H . 16616 1 231 . 1 1 29 29 GLY HA2 H 1 3.924 0.006 . 1 . . . . 118 GLY HA2 . 16616 1 232 . 1 1 29 29 GLY HA3 H 1 3.924 0.006 . 1 . . . . 118 GLY HA3 . 16616 1 233 . 1 1 29 29 GLY CA C 13 45.834 0.001 . 1 . . . . 118 GLY CA . 16616 1 234 . 1 1 29 29 GLY N N 15 107.993 0.539 . 1 . . . . 118 GLY N . 16616 1 235 . 1 1 30 30 ALA H H 1 8.055 0.001 . 1 . . . . 119 ALA H . 16616 1 236 . 1 1 30 30 ALA HA H 1 4.316 0.031 . 1 . . . . 119 ALA HA . 16616 1 237 . 1 1 30 30 ALA HB1 H 1 1.373 0.014 . 1 . . . . 119 ALA HB . 16616 1 238 . 1 1 30 30 ALA HB2 H 1 1.373 0.014 . 1 . . . . 119 ALA HB . 16616 1 239 . 1 1 30 30 ALA HB3 H 1 1.373 0.014 . 1 . . . . 119 ALA HB . 16616 1 240 . 1 1 30 30 ALA CB C 13 20.085 0.007 . 1 . . . . 119 ALA CB . 16616 1 241 . 1 1 30 30 ALA N N 15 123.663 0.026 . 1 . . . . 119 ALA N . 16616 1 242 . 1 1 31 31 VAL H H 1 8.125 0.001 . 1 . . . . 120 VAL H . 16616 1 243 . 1 1 31 31 VAL HA H 1 4.127 0.006 . 1 . . . . 120 VAL HA . 16616 1 244 . 1 1 31 31 VAL HB H 1 2.025 0.02 . 1 . . . . 120 VAL HB . 16616 1 245 . 1 1 31 31 VAL HG21 H 1 0.88 0.022 . 1 . . . . 120 VAL HG2 . 16616 1 246 . 1 1 31 31 VAL HG22 H 1 0.88 0.022 . 1 . . . . 120 VAL HG2 . 16616 1 247 . 1 1 31 31 VAL HG23 H 1 0.88 0.022 . 1 . . . . 120 VAL HG2 . 16616 1 248 . 1 1 31 31 VAL CA C 13 62.298 0.011 . 1 . . . . 120 VAL CA . 16616 1 249 . 1 1 31 31 VAL CB C 13 33.387 0.001 . 1 . . . . 120 VAL CB . 16616 1 250 . 1 1 31 31 VAL CG1 C 13 22.003 0.22 . 1 . . . . 120 VAL CG1 . 16616 1 251 . 1 1 31 31 VAL CG2 C 13 22.003 0.22 . 1 . . . . 120 VAL CG2 . 16616 1 252 . 1 1 31 31 VAL N N 15 119.568 0.073 . 1 . . . . 120 VAL N . 16616 1 253 . 1 1 32 32 VAL H H 1 8.266 0.001 . 1 . . . . 121 VAL H . 16616 1 254 . 1 1 32 32 VAL HA H 1 4.049 0.04 . 1 . . . . 121 VAL HA . 16616 1 255 . 1 1 32 32 VAL HB H 1 2.045 0.061 . 1 . . . . 121 VAL HB . 16616 1 256 . 1 1 32 32 VAL HG11 H 1 0.898 0.025 . 1 . . . . 121 VAL HG1 . 16616 1 257 . 1 1 32 32 VAL HG12 H 1 0.898 0.025 . 1 . . . . 121 VAL HG1 . 16616 1 258 . 1 1 32 32 VAL HG13 H 1 0.898 0.025 . 1 . . . . 121 VAL HG1 . 16616 1 259 . 1 1 32 32 VAL CA C 13 63.263 0.014 . 1 . . . . 121 VAL CA . 16616 1 260 . 1 1 32 32 VAL CB C 13 33.373 0.001 . 1 . . . . 121 VAL CB . 16616 1 261 . 1 1 32 32 VAL N N 15 124.845 0.014 . 1 . . . . 121 VAL N . 16616 1 262 . 1 1 33 33 GLY H H 1 8.511 0.015 . 1 . . . . 122 GLY H . 16616 1 263 . 1 1 33 33 GLY HA2 H 1 3.935 0.015 . 1 . . . . 122 GLY HA2 . 16616 1 264 . 1 1 33 33 GLY HA3 H 1 3.978 0.051 . 1 . . . . 122 GLY HA3 . 16616 1 265 . 1 1 33 33 GLY CA C 13 45.945 0.098 . 1 . . . . 122 GLY CA . 16616 1 266 . 1 1 33 33 GLY N N 15 113.182 0.053 . 1 . . . . 122 GLY N . 16616 1 267 . 1 1 34 34 GLY H H 1 8.28 0.061 . 1 . . . . 123 GLY H . 16616 1 268 . 1 1 34 34 GLY HA2 H 1 3.944 0.02 . 1 . . . . 123 GLY HA2 . 16616 1 269 . 1 1 34 34 GLY HA3 H 1 3.944 0.02 . 1 . . . . 123 GLY HA3 . 16616 1 270 . 1 1 34 34 GLY N N 15 108.666 0.264 . 1 . . . . 123 GLY N . 16616 1 271 . 1 1 35 35 LEU H H 1 8.219 0.001 . 1 . . . . 124 LEU H . 16616 1 272 . 1 1 35 35 LEU HA H 1 4.322 0.036 . 1 . . . . 124 LEU HA . 16616 1 273 . 1 1 35 35 LEU HB2 H 1 1.57 0.033 . 1 . . . . 124 LEU HB2 . 16616 1 274 . 1 1 35 35 LEU HB3 H 1 1.572 0.034 . 1 . . . . 124 LEU HB3 . 16616 1 275 . 1 1 35 35 LEU HD11 H 1 0.612 0.038 . 1 . . . . 124 LEU HD1 . 16616 1 276 . 1 1 35 35 LEU HD12 H 1 0.612 0.038 . 1 . . . . 124 LEU HD1 . 16616 1 277 . 1 1 35 35 LEU HD13 H 1 0.612 0.038 . 1 . . . . 124 LEU HD1 . 16616 1 278 . 1 1 35 35 LEU HD21 H 1 0.512 0.027 . 1 . . . . 124 LEU HD2 . 16616 1 279 . 1 1 35 35 LEU HD22 H 1 0.512 0.027 . 1 . . . . 124 LEU HD2 . 16616 1 280 . 1 1 35 35 LEU HD23 H 1 0.512 0.027 . 1 . . . . 124 LEU HD2 . 16616 1 281 . 1 1 35 35 LEU HG H 1 1.482 0.028 . 1 . . . . 124 LEU HG . 16616 1 282 . 1 1 35 35 LEU CA C 13 55.688 0.237 . 1 . . . . 124 LEU CA . 16616 1 283 . 1 1 35 35 LEU CB C 13 43.051 0.334 . 1 . . . . 124 LEU CB . 16616 1 284 . 1 1 35 35 LEU CD1 C 13 25.224 0.249 . 1 . . . . 124 LEU CD1 . 16616 1 285 . 1 1 35 35 LEU CD2 C 13 24.104 0.001 . 1 . . . . 124 LEU CD2 . 16616 1 286 . 1 1 35 35 LEU CG C 13 27.195 0.262 . 1 . . . . 124 LEU CG . 16616 1 287 . 1 1 35 35 LEU N N 15 121.603 0.022 . 1 . . . . 124 LEU N . 16616 1 288 . 1 1 36 36 GLY H H 1 8.52 0.014 . 1 . . . . 125 GLY H . 16616 1 289 . 1 1 36 36 GLY HA2 H 1 3.879 0.047 . 2 . . . . 125 GLY HA2 . 16616 1 290 . 1 1 36 36 GLY CA C 13 46.396 0.087 . 1 . . . . 125 GLY CA . 16616 1 291 . 1 1 36 36 GLY N N 15 109.68 0.228 . 1 . . . . 125 GLY N . 16616 1 292 . 1 1 37 37 GLY H H 1 8.399 0.044 . 1 . . . . 126 GLY H . 16616 1 293 . 1 1 37 37 GLY HA2 H 1 3.812 0.032 . 1 . . . . 126 GLY HA2 . 16616 1 294 . 1 1 37 37 GLY HA3 H 1 3.894 0.029 . 1 . . . . 126 GLY HA3 . 16616 1 295 . 1 1 37 37 GLY CA C 13 45.673 0.39 . 1 . . . . 126 GLY CA . 16616 1 296 . 1 1 37 37 GLY N N 15 109.372 0.059 . 1 . . . . 126 GLY N . 16616 1 297 . 1 1 38 38 TYR H H 1 7.806 0.024 . 1 . . . . 127 TYR H . 16616 1 298 . 1 1 38 38 TYR HA H 1 4.399 0.043 . 1 . . . . 127 TYR HA . 16616 1 299 . 1 1 38 38 TYR HB2 H 1 2.887 0.033 . 1 . . . . 127 TYR HB2 . 16616 1 300 . 1 1 38 38 TYR HB3 H 1 2.927 0.027 . 1 . . . . 127 TYR HB3 . 16616 1 301 . 1 1 38 38 TYR HD1 H 1 6.856 0.022 . 1 . . . . 127 TYR HD1 . 16616 1 302 . 1 1 38 38 TYR HD2 H 1 6.901 0.008 . 1 . . . . 127 TYR HD2 . 16616 1 303 . 1 1 38 38 TYR HE2 H 1 8.314 0.005 . 3 . . . . 127 TYR HE2 . 16616 1 304 . 1 1 38 38 TYR HH H 1 8.61 0.001 . 1 . . . . 127 TYR HH . 16616 1 305 . 1 1 38 38 TYR CA C 13 58.924 0.394 . 1 . . . . 127 TYR CA . 16616 1 306 . 1 1 38 38 TYR CB C 13 40.641 0.278 . 1 . . . . 127 TYR CB . 16616 1 307 . 1 1 38 38 TYR N N 15 117.892 0.221 . 1 . . . . 127 TYR N . 16616 1 308 . 1 1 39 39 MET H H 1 9.105 0.023 . 1 . . . . 128 MET H . 16616 1 309 . 1 1 39 39 MET HA H 1 4.495 0.044 . 1 . . . . 128 MET HA . 16616 1 310 . 1 1 39 39 MET HB2 H 1 1.594 0.018 . 1 . . . . 128 MET HB2 . 16616 1 311 . 1 1 39 39 MET HB3 H 1 1.013 0.042 . 1 . . . . 128 MET HB3 . 16616 1 312 . 1 1 39 39 MET HE1 H 1 1.961 0.013 . 1 . . . . 128 MET HE . 16616 1 313 . 1 1 39 39 MET HE2 H 1 1.961 0.013 . 1 . . . . 128 MET HE . 16616 1 314 . 1 1 39 39 MET HE3 H 1 1.961 0.013 . 1 . . . . 128 MET HE . 16616 1 315 . 1 1 39 39 MET HG2 H 1 2.199 0.027 . 1 . . . . 128 MET HG2 . 16616 1 316 . 1 1 39 39 MET HG3 H 1 2.017 0.035 . 1 . . . . 128 MET HG3 . 16616 1 317 . 1 1 39 39 MET CA C 13 54.367 0.23 . 1 . . . . 128 MET CA . 16616 1 318 . 1 1 39 39 MET CB C 13 35.004 0.275 . 1 . . . . 128 MET CB . 16616 1 319 . 1 1 39 39 MET CE C 13 17.917 0.036 . 1 . . . . 128 MET CE . 16616 1 320 . 1 1 39 39 MET CG C 13 32.485 0.012 . 1 . . . . 128 MET CG . 16616 1 321 . 1 1 39 39 MET N N 15 121.438 0.049 . 1 . . . . 128 MET N . 16616 1 322 . 1 1 40 40 LEU H H 1 8.041 0.011 . 1 . . . . 129 LEU H . 16616 1 323 . 1 1 40 40 LEU HA H 1 4.51 0.024 . 1 . . . . 129 LEU HA . 16616 1 324 . 1 1 40 40 LEU HB2 H 1 1.627 0.036 . 1 . . . . 129 LEU HB2 . 16616 1 325 . 1 1 40 40 LEU HB3 H 1 0.986 0.031 . 1 . . . . 129 LEU HB3 . 16616 1 326 . 1 1 40 40 LEU HD11 H 1 0.597 0.017 . 1 . . . . 129 LEU HD1 . 16616 1 327 . 1 1 40 40 LEU HD12 H 1 0.597 0.017 . 1 . . . . 129 LEU HD1 . 16616 1 328 . 1 1 40 40 LEU HD13 H 1 0.597 0.017 . 1 . . . . 129 LEU HD1 . 16616 1 329 . 1 1 40 40 LEU HD21 H 1 -0.016 0.025 . 1 . . . . 129 LEU HD2 . 16616 1 330 . 1 1 40 40 LEU HD22 H 1 -0.016 0.025 . 1 . . . . 129 LEU HD2 . 16616 1 331 . 1 1 40 40 LEU HD23 H 1 -0.016 0.025 . 1 . . . . 129 LEU HD2 . 16616 1 332 . 1 1 40 40 LEU HG H 1 1.405 0.031 . 1 . . . . 129 LEU HG . 16616 1 333 . 1 1 40 40 LEU CA C 13 54.192 0.26 . 1 . . . . 129 LEU CA . 16616 1 334 . 1 1 40 40 LEU CB C 13 44.334 0.273 . 1 . . . . 129 LEU CB . 16616 1 335 . 1 1 40 40 LEU CD1 C 13 26.448 0.025 . 1 . . . . 129 LEU CD1 . 16616 1 336 . 1 1 40 40 LEU CD2 C 13 22.617 0.087 . 1 . . . . 129 LEU CD2 . 16616 1 337 . 1 1 40 40 LEU CG C 13 26.076 0.376 . 1 . . . . 129 LEU CG . 16616 1 338 . 1 1 40 40 LEU N N 15 121.396 0.067 . 1 . . . . 129 LEU N . 16616 1 339 . 1 1 41 41 GLY H H 1 9.341 0.015 . 1 . . . . 130 GLY H . 16616 1 340 . 1 1 41 41 GLY HA2 H 1 4.43 0.021 . 1 . . . . 130 GLY HA2 . 16616 1 341 . 1 1 41 41 GLY HA3 H 1 4.153 0.024 . 1 . . . . 130 GLY HA3 . 16616 1 342 . 1 1 41 41 GLY CA C 13 45.467 0.353 . 1 . . . . 130 GLY CA . 16616 1 343 . 1 1 41 41 GLY N N 15 114.732 0.28 . 1 . . . . 130 GLY N . 16616 1 344 . 1 1 42 42 SER H H 1 8.355 0.026 . 1 . . . . 131 SER H . 16616 1 345 . 1 1 42 42 SER HA H 1 4.405 0.008 . 1 . . . . 131 SER HA . 16616 1 346 . 1 1 42 42 SER HB2 H 1 3.931 0.028 . 1 . . . . 131 SER HB2 . 16616 1 347 . 1 1 42 42 SER HB3 H 1 3.933 0.014 . 1 . . . . 131 SER HB3 . 16616 1 348 . 1 1 42 42 SER CA C 13 58.973 0.331 . 1 . . . . 131 SER CA . 16616 1 349 . 1 1 42 42 SER CB C 13 64.137 0.085 . 1 . . . . 131 SER CB . 16616 1 350 . 1 1 42 42 SER N N 15 113.362 0.298 . 1 . . . . 131 SER N . 16616 1 351 . 1 1 43 43 ALA H H 1 8.605 0.018 . 1 . . . . 132 ALA H . 16616 1 352 . 1 1 43 43 ALA HA H 1 4.372 0.005 . 1 . . . . 132 ALA HA . 16616 1 353 . 1 1 43 43 ALA HB1 H 1 1.257 0.019 . 1 . . . . 132 ALA HB . 16616 1 354 . 1 1 43 43 ALA HB2 H 1 1.257 0.019 . 1 . . . . 132 ALA HB . 16616 1 355 . 1 1 43 43 ALA HB3 H 1 1.257 0.019 . 1 . . . . 132 ALA HB . 16616 1 356 . 1 1 43 43 ALA CA C 13 53.516 0.317 . 1 . . . . 132 ALA CA . 16616 1 357 . 1 1 43 43 ALA CB C 13 19.038 0.25 . 1 . . . . 132 ALA CB . 16616 1 358 . 1 1 43 43 ALA N N 15 124.998 0.092 . 1 . . . . 132 ALA N . 16616 1 359 . 1 1 44 44 MET H H 1 8.815 0.021 . 1 . . . . 133 MET H . 16616 1 360 . 1 1 44 44 MET HA H 1 4.722 0.016 . 1 . . . . 133 MET HA . 16616 1 361 . 1 1 44 44 MET HB2 H 1 2.081 0.023 . 1 . . . . 133 MET HB2 . 16616 1 362 . 1 1 44 44 MET HB3 H 1 1.971 0.037 . 1 . . . . 133 MET HB3 . 16616 1 363 . 1 1 44 44 MET HE1 H 1 1.891 0.031 . 1 . . . . 133 MET HE . 16616 1 364 . 1 1 44 44 MET HE2 H 1 1.891 0.031 . 1 . . . . 133 MET HE . 16616 1 365 . 1 1 44 44 MET HE3 H 1 1.891 0.031 . 1 . . . . 133 MET HE . 16616 1 366 . 1 1 44 44 MET HG2 H 1 2.538 0.022 . 1 . . . . 133 MET HG2 . 16616 1 367 . 1 1 44 44 MET HG3 H 1 2.455 0.017 . 1 . . . . 133 MET HG3 . 16616 1 368 . 1 1 44 44 MET CA C 13 54.518 0.374 . 1 . . . . 133 MET CA . 16616 1 369 . 1 1 44 44 MET CB C 13 37.002 0.366 . 1 . . . . 133 MET CB . 16616 1 370 . 1 1 44 44 MET CE C 13 17.571 0.004 . 1 . . . . 133 MET CE . 16616 1 371 . 1 1 44 44 MET CG C 13 32.11 0.186 . 1 . . . . 133 MET CG . 16616 1 372 . 1 1 44 44 MET N N 15 121.886 0.169 . 1 . . . . 133 MET N . 16616 1 373 . 1 1 45 45 SER H H 1 8.433 0.006 . 1 . . . . 134 SER H . 16616 1 374 . 1 1 45 45 SER HA H 1 4.35 0.02 . 1 . . . . 134 SER HA . 16616 1 375 . 1 1 45 45 SER HB2 H 1 3.703 0.035 . 1 . . . . 134 SER HB2 . 16616 1 376 . 1 1 45 45 SER HB3 H 1 3.806 0.009 . 1 . . . . 134 SER HB3 . 16616 1 377 . 1 1 45 45 SER CA C 13 59.221 0.313 . 1 . . . . 134 SER CA . 16616 1 378 . 1 1 45 45 SER CB C 13 63.604 0.257 . 1 . . . . 134 SER CB . 16616 1 379 . 1 1 45 45 SER N N 15 116.15 0.171 . 1 . . . . 134 SER N . 16616 1 380 . 1 1 46 46 ARG H H 1 8.597 0.005 . 1 . . . . 135 ARG H . 16616 1 381 . 1 1 46 46 ARG HA H 1 4.377 0.013 . 1 . . . . 135 ARG HA . 16616 1 382 . 1 1 46 46 ARG HB2 H 1 1.861 0.011 . 1 . . . . 135 ARG HB2 . 16616 1 383 . 1 1 46 46 ARG HB3 H 1 1.861 0.011 . 1 . . . . 135 ARG HB3 . 16616 1 384 . 1 1 46 46 ARG HD2 H 1 3.061 0.043 . 1 . . . . 135 ARG HD2 . 16616 1 385 . 1 1 46 46 ARG HD3 H 1 3.138 0.032 . 1 . . . . 135 ARG HD3 . 16616 1 386 . 1 1 46 46 ARG HG2 H 1 1.711 0.03 . 1 . . . . 135 ARG HG2 . 16616 1 387 . 1 1 46 46 ARG HG3 H 1 1.833 0.026 . 1 . . . . 135 ARG HG3 . 16616 1 388 . 1 1 46 46 ARG CA C 13 55.661 0.28 . 1 . . . . 135 ARG CA . 16616 1 389 . 1 1 46 46 ARG CB C 13 29.971 0.44 . 1 . . . . 135 ARG CB . 16616 1 390 . 1 1 46 46 ARG CD C 13 44.315 0.406 . 1 . . . . 135 ARG CD . 16616 1 391 . 1 1 46 46 ARG CG C 13 27.672 0.081 . 1 . . . . 135 ARG CG . 16616 1 392 . 1 1 46 46 ARG N N 15 126.221 0.181 . 1 . . . . 135 ARG N . 16616 1 393 . 1 1 47 47 PRO HA H 1 4.383 0.016 . 1 . . . . 136 PRO HA . 16616 1 394 . 1 1 47 47 PRO HB2 H 1 2.245 0.027 . 1 . . . . 136 PRO HB2 . 16616 1 395 . 1 1 47 47 PRO HB3 H 1 1.857 0.003 . 1 . . . . 136 PRO HB3 . 16616 1 396 . 1 1 47 47 PRO HD2 H 1 3.868 0.034 . 1 . . . . 136 PRO HD2 . 16616 1 397 . 1 1 47 47 PRO HD3 H 1 3.623 0.011 . 1 . . . . 136 PRO HD3 . 16616 1 398 . 1 1 47 47 PRO HG2 H 1 1.717 0.044 . 1 . . . . 136 PRO HG2 . 16616 1 399 . 1 1 47 47 PRO HG3 H 1 2.054 0.061 . 1 . . . . 136 PRO HG3 . 16616 1 400 . 1 1 47 47 PRO CA C 13 63.119 0.448 . 1 . . . . 136 PRO CA . 16616 1 401 . 1 1 47 47 PRO CB C 13 32.533 0.336 . 1 . . . . 136 PRO CB . 16616 1 402 . 1 1 47 47 PRO CD C 13 51.453 0.046 . 1 . . . . 136 PRO CD . 16616 1 403 . 1 1 47 47 PRO CG C 13 28.147 0.077 . 1 . . . . 136 PRO CG . 16616 1 404 . 1 1 48 48 LEU H H 1 8.663 0.018 . 1 . . . . 137 LEU H . 16616 1 405 . 1 1 48 48 LEU HA H 1 4.551 0.008 . 1 . . . . 137 LEU HA . 16616 1 406 . 1 1 48 48 LEU HB2 H 1 1.659 0.043 . 1 . . . . 137 LEU HB2 . 16616 1 407 . 1 1 48 48 LEU HB3 H 1 1.545 0.046 . 1 . . . . 137 LEU HB3 . 16616 1 408 . 1 1 48 48 LEU HD11 H 1 0.912 0.017 . 1 . . . . 137 LEU HD1 . 16616 1 409 . 1 1 48 48 LEU HD12 H 1 0.912 0.017 . 1 . . . . 137 LEU HD1 . 16616 1 410 . 1 1 48 48 LEU HD13 H 1 0.912 0.017 . 1 . . . . 137 LEU HD1 . 16616 1 411 . 1 1 48 48 LEU HD21 H 1 0.89 0.043 . 1 . . . . 137 LEU HD2 . 16616 1 412 . 1 1 48 48 LEU HD22 H 1 0.89 0.043 . 1 . . . . 137 LEU HD2 . 16616 1 413 . 1 1 48 48 LEU HD23 H 1 0.89 0.043 . 1 . . . . 137 LEU HD2 . 16616 1 414 . 1 1 48 48 LEU HG H 1 1.613 0.03 . 1 . . . . 137 LEU HG . 16616 1 415 . 1 1 48 48 LEU CA C 13 54.935 0.322 . 1 . . . . 137 LEU CA . 16616 1 416 . 1 1 48 48 LEU CB C 13 40.767 0.288 . 1 . . . . 137 LEU CB . 16616 1 417 . 1 1 48 48 LEU CD1 C 13 25.28 0.031 . 1 . . . . 137 LEU CD1 . 16616 1 418 . 1 1 48 48 LEU CD2 C 13 24.104 0.001 . 1 . . . . 137 LEU CD2 . 16616 1 419 . 1 1 48 48 LEU CG C 13 27.741 0.049 . 1 . . . . 137 LEU CG . 16616 1 420 . 1 1 48 48 LEU N N 15 125.122 0.096 . 1 . . . . 137 LEU N . 16616 1 421 . 1 1 49 49 ILE H H 1 6.967 0.01 . 1 . . . . 138 ILE H . 16616 1 422 . 1 1 49 49 ILE HA H 1 3.917 0.009 . 1 . . . . 138 ILE HA . 16616 1 423 . 1 1 49 49 ILE HB H 1 1.181 0.112 . 1 . . . . 138 ILE HB . 16616 1 424 . 1 1 49 49 ILE HD11 H 1 0.392 0.015 . 1 . . . . 138 ILE HD1 . 16616 1 425 . 1 1 49 49 ILE HD12 H 1 0.392 0.015 . 1 . . . . 138 ILE HD1 . 16616 1 426 . 1 1 49 49 ILE HD13 H 1 0.392 0.015 . 1 . . . . 138 ILE HD1 . 16616 1 427 . 1 1 49 49 ILE HG12 H 1 0.718 0.044 . 1 . . . . 138 ILE HG12 . 16616 1 428 . 1 1 49 49 ILE HG13 H 1 0.9 0.051 . 1 . . . . 138 ILE HG13 . 16616 1 429 . 1 1 49 49 ILE HG21 H 1 0.005 0.005 . 1 . . . . 138 ILE HG2 . 16616 1 430 . 1 1 49 49 ILE HG22 H 1 0.005 0.005 . 1 . . . . 138 ILE HG2 . 16616 1 431 . 1 1 49 49 ILE HG23 H 1 0.005 0.005 . 1 . . . . 138 ILE HG2 . 16616 1 432 . 1 1 49 49 ILE CA C 13 59.97 0.409 . 1 . . . . 138 ILE CA . 16616 1 433 . 1 1 49 49 ILE CB C 13 40.199 0.292 . 1 . . . . 138 ILE CB . 16616 1 434 . 1 1 49 49 ILE CD1 C 13 13.886 0.165 . 1 . . . . 138 ILE CD1 . 16616 1 435 . 1 1 49 49 ILE CG1 C 13 27.347 0.189 . 1 . . . . 138 ILE CG1 . 16616 1 436 . 1 1 49 49 ILE CG2 C 13 17.844 0.016 . 1 . . . . 138 ILE CG2 . 16616 1 437 . 1 1 49 49 ILE N N 15 122.558 0.03 . 1 . . . . 138 ILE N . 16616 1 438 . 1 1 50 50 HIS H H 1 8.301 0.01 . 1 . . . . 139 HIS H . 16616 1 439 . 1 1 50 50 HIS HA H 1 4.923 0.006 . 1 . . . . 139 HIS HA . 16616 1 440 . 1 1 50 50 HIS HB2 H 1 3.297 0.022 . 1 . . . . 139 HIS HB2 . 16616 1 441 . 1 1 50 50 HIS HB3 H 1 2.957 0.036 . 1 . . . . 139 HIS HB3 . 16616 1 442 . 1 1 50 50 HIS HD1 H 1 12.515 0.004 . 1 . . . . 139 HIS HD1 . 16616 1 443 . 1 1 50 50 HIS HE1 H 1 7.212 0.001 . 1 . . . . 139 HIS HE1 . 16616 1 444 . 1 1 50 50 HIS CA C 13 54.556 0.402 . 1 . . . . 139 HIS CA . 16616 1 445 . 1 1 50 50 HIS CB C 13 29.86 0.429 . 1 . . . . 139 HIS CB . 16616 1 446 . 1 1 50 50 HIS N N 15 122.187 0.058 . 1 . . . . 139 HIS N . 16616 1 447 . 1 1 51 51 PHE H H 1 10.361 0.015 . 1 . . . . 140 PHE H . 16616 1 448 . 1 1 51 51 PHE HA H 1 4.226 0.029 . 1 . . . . 140 PHE HA . 16616 1 449 . 1 1 51 51 PHE HB2 H 1 3.325 0.016 . 1 . . . . 140 PHE HB2 . 16616 1 450 . 1 1 51 51 PHE HB3 H 1 2.851 0.019 . 1 . . . . 140 PHE HB3 . 16616 1 451 . 1 1 51 51 PHE HD1 H 1 7.35 0.021 . 1 . . . . 140 PHE HD1 . 16616 1 452 . 1 1 51 51 PHE HD2 H 1 7.35 0.021 . 1 . . . . 140 PHE HD2 . 16616 1 453 . 1 1 51 51 PHE HZ H 1 7.248 0.001 . 1 . . . . 140 PHE HZ . 16616 1 454 . 1 1 51 51 PHE CA C 13 60.223 0.267 . 1 . . . . 140 PHE CA . 16616 1 455 . 1 1 51 51 PHE CB C 13 41.064 0.011 . 1 . . . . 140 PHE CB . 16616 1 456 . 1 1 51 51 PHE N N 15 125.358 0.138 . 1 . . . . 140 PHE N . 16616 1 457 . 1 1 52 52 GLY H H 1 9.02 0.015 . 1 . . . . 141 GLY H . 16616 1 458 . 1 1 52 52 GLY HA2 H 1 4.136 0.022 . 1 . . . . 141 GLY HA2 . 16616 1 459 . 1 1 52 52 GLY HA3 H 1 3.741 0.023 . 1 . . . . 141 GLY HA3 . 16616 1 460 . 1 1 52 52 GLY CA C 13 45.95 0.292 . 1 . . . . 141 GLY CA . 16616 1 461 . 1 1 52 52 GLY N N 15 108.457 0.506 . 1 . . . . 141 GLY N . 16616 1 462 . 1 1 53 53 ASN H H 1 7.243 0.024 . 1 . . . . 142 ASN H . 16616 1 463 . 1 1 53 53 ASN HA H 1 4.853 0.006 . 1 . . . . 142 ASN HA . 16616 1 464 . 1 1 53 53 ASN HB2 H 1 2.805 0.027 . 1 . . . . 142 ASN HB2 . 16616 1 465 . 1 1 53 53 ASN HB3 H 1 2.813 0.034 . 1 . . . . 142 ASN HB3 . 16616 1 466 . 1 1 53 53 ASN HD21 H 1 7.521 0.004 . 1 . . . . 142 ASN HD21 . 16616 1 467 . 1 1 53 53 ASN CA C 13 53.069 0.308 . 1 . . . . 142 ASN CA . 16616 1 468 . 1 1 53 53 ASN CB C 13 41.918 0.324 . 1 . . . . 142 ASN CB . 16616 1 469 . 1 1 53 53 ASN N N 15 114.383 0.254 . 1 . . . . 142 ASN N . 16616 1 470 . 1 1 54 54 ASP H H 1 8.971 0.014 . 1 . . . . 143 ASP H . 16616 1 471 . 1 1 54 54 ASP HA H 1 4.432 0.042 . 1 . . . . 143 ASP HA . 16616 1 472 . 1 1 54 54 ASP HB2 H 1 2.968 0.007 . 1 . . . . 143 ASP HB2 . 16616 1 473 . 1 1 54 54 ASP HB3 H 1 2.74 0.032 . 1 . . . . 143 ASP HB3 . 16616 1 474 . 1 1 54 54 ASP CA C 13 58.279 0.355 . 1 . . . . 143 ASP CA . 16616 1 475 . 1 1 54 54 ASP CB C 13 42.247 0.301 . 1 . . . . 143 ASP CB . 16616 1 476 . 1 1 54 54 ASP N N 15 123.818 0.045 . 1 . . . . 143 ASP N . 16616 1 477 . 1 1 55 55 TYR H H 1 8.363 0.017 . 1 . . . . 144 TYR H . 16616 1 478 . 1 1 55 55 TYR HA H 1 4.208 0.026 . 1 . . . . 144 TYR HA . 16616 1 479 . 1 1 55 55 TYR HB2 H 1 3.226 0.016 . 1 . . . . 144 TYR HB2 . 16616 1 480 . 1 1 55 55 TYR HB3 H 1 3.049 0.01 . 1 . . . . 144 TYR HB3 . 16616 1 481 . 1 1 55 55 TYR HD1 H 1 7.047 0.02 . 1 . . . . 144 TYR HD1 . 16616 1 482 . 1 1 55 55 TYR HD2 H 1 7.047 0.02 . 1 . . . . 144 TYR HD2 . 16616 1 483 . 1 1 55 55 TYR HE1 H 1 6.663 0.038 . 1 . . . . 144 TYR HE1 . 16616 1 484 . 1 1 55 55 TYR CA C 13 62.154 0.389 . 1 . . . . 144 TYR CA . 16616 1 485 . 1 1 55 55 TYR CB C 13 38.289 0.311 . 1 . . . . 144 TYR CB . 16616 1 486 . 1 1 55 55 TYR N N 15 120.106 0.078 . 1 . . . . 144 TYR N . 16616 1 487 . 1 1 56 56 GLU H H 1 8.321 0.016 . 1 . . . . 145 GLU H . 16616 1 488 . 1 1 56 56 GLU HA H 1 3.527 0.016 . 1 . . . . 145 GLU HA . 16616 1 489 . 1 1 56 56 GLU HB2 H 1 1.911 0.046 . 1 . . . . 145 GLU HB2 . 16616 1 490 . 1 1 56 56 GLU HB3 H 1 1.381 0.018 . 1 . . . . 145 GLU HB3 . 16616 1 491 . 1 1 56 56 GLU HG2 H 1 2.474 0.016 . 1 . . . . 145 GLU HG2 . 16616 1 492 . 1 1 56 56 GLU HG3 H 1 1.853 0.023 . 1 . . . . 145 GLU HG3 . 16616 1 493 . 1 1 56 56 GLU CA C 13 60.539 0.376 . 1 . . . . 145 GLU CA . 16616 1 494 . 1 1 56 56 GLU CB C 13 29.953 0.417 . 1 . . . . 145 GLU CB . 16616 1 495 . 1 1 56 56 GLU CG C 13 38.695 0.233 . 1 . . . . 145 GLU CG . 16616 1 496 . 1 1 56 56 GLU N N 15 119.57 0.179 . 1 . . . . 145 GLU N . 16616 1 497 . 1 1 57 57 ASP H H 1 8.046 0.027 . 1 . . . . 146 ASP H . 16616 1 498 . 1 1 57 57 ASP HA H 1 4.671 0.016 . 1 . . . . 146 ASP HA . 16616 1 499 . 1 1 57 57 ASP HB2 H 1 2.911 0.047 . 1 . . . . 146 ASP HB2 . 16616 1 500 . 1 1 57 57 ASP HB3 H 1 2.75 0.049 . 1 . . . . 146 ASP HB3 . 16616 1 501 . 1 1 57 57 ASP CA C 13 55.656 7.366 . 1 . . . . 146 ASP CA . 16616 1 502 . 1 1 57 57 ASP CB C 13 41.707 0.458 . 1 . . . . 146 ASP CB . 16616 1 503 . 1 1 57 57 ASP N N 15 118.199 0.097 . 1 . . . . 146 ASP N . 16616 1 504 . 1 1 58 58 ARG H H 1 8.067 0.031 . 1 . . . . 147 ARG H . 16616 1 505 . 1 1 58 58 ARG HA H 1 3.998 0.021 . 1 . . . . 147 ARG HA . 16616 1 506 . 1 1 58 58 ARG HB2 H 1 1.919 0.016 . 1 . . . . 147 ARG HB2 . 16616 1 507 . 1 1 58 58 ARG HD2 H 1 3.197 0.028 . 1 . . . . 147 ARG HD2 . 16616 1 508 . 1 1 58 58 ARG HD3 H 1 3.211 0.044 . 1 . . . . 147 ARG HD3 . 16616 1 509 . 1 1 58 58 ARG HE H 1 7.205 0.016 . 1 . . . . 147 ARG HE . 16616 1 510 . 1 1 58 58 ARG HG2 H 1 1.783 0.075 . 1 . . . . 147 ARG HG2 . 16616 1 511 . 1 1 58 58 ARG HG3 H 1 1.548 0.055 . 1 . . . . 147 ARG HG3 . 16616 1 512 . 1 1 58 58 ARG CA C 13 60.201 0.357 . 1 . . . . 147 ARG CA . 16616 1 513 . 1 1 58 58 ARG CB C 13 30.201 0.208 . 1 . . . . 147 ARG CB . 16616 1 514 . 1 1 58 58 ARG CD C 13 44.066 0.271 . 1 . . . . 147 ARG CD . 16616 1 515 . 1 1 58 58 ARG CG C 13 28.212 0.29 . 1 . . . . 147 ARG CG . 16616 1 516 . 1 1 58 58 ARG N N 15 120.11 0.194 . 1 . . . . 147 ARG N . 16616 1 517 . 1 1 58 58 ARG NE N 15 83.88 0.337 . 1 . . . . 147 ARG NE . 16616 1 518 . 1 1 59 59 TYR H H 1 8.442 0.012 . 1 . . . . 148 TYR H . 16616 1 519 . 1 1 59 59 TYR HA H 1 3.848 0.048 . 1 . . . . 148 TYR HA . 16616 1 520 . 1 1 59 59 TYR HB2 H 1 2.747 0.043 . 1 . . . . 148 TYR HB2 . 16616 1 521 . 1 1 59 59 TYR HB3 H 1 2.566 0.039 . 1 . . . . 148 TYR HB3 . 16616 1 522 . 1 1 59 59 TYR HD1 H 1 6.832 0.015 . 1 . . . . 148 TYR HD1 . 16616 1 523 . 1 1 59 59 TYR HD2 H 1 7.314 0.001 . 1 . . . . 148 TYR HD2 . 16616 1 524 . 1 1 59 59 TYR HE1 H 1 6.879 0.043 . 3 . . . . 148 TYR HE1 . 16616 1 525 . 1 1 59 59 TYR CA C 13 62.682 0.333 . 1 . . . . 148 TYR CA . 16616 1 526 . 1 1 59 59 TYR CB C 13 39.297 0.004 . 1 . . . . 148 TYR CB . 16616 1 527 . 1 1 59 59 TYR N N 15 121.168 0.066 . 1 . . . . 148 TYR N . 16616 1 528 . 1 1 60 60 TYR H H 1 8.837 0.044 . 1 . . . . 149 TYR H . 16616 1 529 . 1 1 60 60 TYR HA H 1 4.247 0.03 . 1 . . . . 149 TYR HA . 16616 1 530 . 1 1 60 60 TYR HB2 H 1 3.218 0.015 . 1 . . . . 149 TYR HB2 . 16616 1 531 . 1 1 60 60 TYR HB3 H 1 3.048 0.009 . 1 . . . . 149 TYR HB3 . 16616 1 532 . 1 1 60 60 TYR HD1 H 1 6.932 0.001 . 1 . . . . 149 TYR HD1 . 16616 1 533 . 1 1 60 60 TYR HD2 H 1 6.685 0.017 . 1 . . . . 149 TYR HD2 . 16616 1 534 . 1 1 60 60 TYR HE1 H 1 7.006 0.006 . 1 . . . . 149 TYR HE1 . 16616 1 535 . 1 1 60 60 TYR HE2 H 1 7.321 0.004 . 1 . . . . 149 TYR HE2 . 16616 1 536 . 1 1 60 60 TYR HH H 1 6.933 0.021 . 1 . . . . 149 TYR HH . 16616 1 537 . 1 1 60 60 TYR CA C 13 62.112 0.441 . 1 . . . . 149 TYR CA . 16616 1 538 . 1 1 60 60 TYR CB C 13 38.469 0.122 . 1 . . . . 149 TYR CB . 16616 1 539 . 1 1 60 60 TYR N N 15 119.158 0.104 . 1 . . . . 149 TYR N . 16616 1 540 . 1 1 61 61 ARG H H 1 7.651 0.013 . 1 . . . . 150 ARG H . 16616 1 541 . 1 1 61 61 ARG HA H 1 3.67 0.012 . 1 . . . . 150 ARG HA . 16616 1 542 . 1 1 61 61 ARG HB2 H 1 1.923 0.032 . 1 . . . . 150 ARG HB2 . 16616 1 543 . 1 1 61 61 ARG HB3 H 1 2.286 0.001 . 1 . . . . 150 ARG HB3 . 16616 1 544 . 1 1 61 61 ARG HD2 H 1 3.246 0.024 . 1 . . . . 150 ARG HD2 . 16616 1 545 . 1 1 61 61 ARG HD3 H 1 3.227 0.025 . 1 . . . . 150 ARG HD3 . 16616 1 546 . 1 1 61 61 ARG HE H 1 7.442 0.012 . 1 . . . . 150 ARG HE . 16616 1 547 . 1 1 61 61 ARG HG2 H 1 1.89 0.053 . 1 . . . . 150 ARG HG2 . 16616 1 548 . 1 1 61 61 ARG HG3 H 1 1.69 0.022 . 1 . . . . 150 ARG HG3 . 16616 1 549 . 1 1 61 61 ARG CA C 13 60.573 0.289 . 1 . . . . 150 ARG CA . 16616 1 550 . 1 1 61 61 ARG CB C 13 29.692 0.252 . 1 . . . . 150 ARG CB . 16616 1 551 . 1 1 61 61 ARG CD C 13 44.067 0.054 . 1 . . . . 150 ARG CD . 16616 1 552 . 1 1 61 61 ARG CG C 13 27.981 1.785 . 1 . . . . 150 ARG CG . 16616 1 553 . 1 1 61 61 ARG N N 15 116.515 0.17 . 1 . . . . 150 ARG N . 16616 1 554 . 1 1 61 61 ARG NE N 15 85.311 0.387 . 1 . . . . 150 ARG NE . 16616 1 555 . 1 1 62 62 GLU H H 1 7.949 0.023 . 1 . . . . 151 GLU H . 16616 1 556 . 1 1 62 62 GLU HA H 1 4.054 0.032 . 1 . . . . 151 GLU HA . 16616 1 557 . 1 1 62 62 GLU HB2 H 1 1.961 0.026 . 1 . . . . 151 GLU HB2 . 16616 1 558 . 1 1 62 62 GLU HB3 H 1 2.179 0.037 . 1 . . . . 151 GLU HB3 . 16616 1 559 . 1 1 62 62 GLU HG2 H 1 2.195 0.044 . 1 . . . . 151 GLU HG2 . 16616 1 560 . 1 1 62 62 GLU HG3 H 1 2.364 0.045 . 1 . . . . 151 GLU HG3 . 16616 1 561 . 1 1 62 62 GLU CA C 13 58.389 0.443 . 1 . . . . 151 GLU CA . 16616 1 562 . 1 1 62 62 GLU CB C 13 30.067 0.23 . 1 . . . . 151 GLU CB . 16616 1 563 . 1 1 62 62 GLU CG C 13 37.184 0.248 . 1 . . . . 151 GLU CG . 16616 1 564 . 1 1 62 62 GLU N N 15 115.554 0.324 . 1 . . . . 151 GLU N . 16616 1 565 . 1 1 63 63 ASN H H 1 7.557 0.008 . 1 . . . . 152 ASN H . 16616 1 566 . 1 1 63 63 ASN HA H 1 4.588 0.022 . 1 . . . . 152 ASN HA . 16616 1 567 . 1 1 63 63 ASN HB2 H 1 2.3 0.033 . 1 . . . . 152 ASN HB2 . 16616 1 568 . 1 1 63 63 ASN HB3 H 1 2.271 0.026 . 1 . . . . 152 ASN HB3 . 16616 1 569 . 1 1 63 63 ASN HD21 H 1 6.746 0.039 . 1 . . . . 152 ASN HD21 . 16616 1 570 . 1 1 63 63 ASN HD22 H 1 6.537 0.018 . 1 . . . . 152 ASN HD22 . 16616 1 571 . 1 1 63 63 ASN CA C 13 54.932 0.343 . 1 . . . . 152 ASN CA . 16616 1 572 . 1 1 63 63 ASN CB C 13 41.338 0.437 . 1 . . . . 152 ASN CB . 16616 1 573 . 1 1 63 63 ASN N N 15 115.136 0.261 . 1 . . . . 152 ASN N . 16616 1 574 . 1 1 63 63 ASN ND2 N 15 116.606 0.197 . 1 . . . . 152 ASN ND2 . 16616 1 575 . 1 1 64 64 MET H H 1 7.505 0.011 . 1 . . . . 153 MET H . 16616 1 576 . 1 1 64 64 MET HA H 1 3.681 0.026 . 1 . . . . 153 MET HA . 16616 1 577 . 1 1 64 64 MET HB2 H 1 1.725 0.024 . 1 . . . . 153 MET HB2 . 16616 1 578 . 1 1 64 64 MET HB3 H 1 1.907 0.022 . 1 . . . . 153 MET HB3 . 16616 1 579 . 1 1 64 64 MET HE1 H 1 1.819 0.027 . 1 . . . . 153 MET HE . 16616 1 580 . 1 1 64 64 MET HE2 H 1 1.819 0.027 . 1 . . . . 153 MET HE . 16616 1 581 . 1 1 64 64 MET HE3 H 1 1.819 0.027 . 1 . . . . 153 MET HE . 16616 1 582 . 1 1 64 64 MET HG2 H 1 2.577 0.019 . 1 . . . . 153 MET HG2 . 16616 1 583 . 1 1 64 64 MET HG3 H 1 2.12 0.03 . 1 . . . . 153 MET HG3 . 16616 1 584 . 1 1 64 64 MET CA C 13 60.396 0.354 . 1 . . . . 153 MET CA . 16616 1 585 . 1 1 64 64 MET CB C 13 32.901 0.262 . 1 . . . . 153 MET CB . 16616 1 586 . 1 1 64 64 MET CE C 13 17.587 0.018 . 1 . . . . 153 MET CE . 16616 1 587 . 1 1 64 64 MET CG C 13 32.008 0.184 . 1 . . . . 153 MET CG . 16616 1 588 . 1 1 64 64 MET N N 15 118.782 0.184 . 1 . . . . 153 MET N . 16616 1 589 . 1 1 65 65 TYR H H 1 7.631 0.017 . 1 . . . . 154 TYR H . 16616 1 590 . 1 1 65 65 TYR HA H 1 4.218 0.014 . 1 . . . . 154 TYR HA . 16616 1 591 . 1 1 65 65 TYR HB2 H 1 3.038 0.019 . 1 . . . . 154 TYR HB2 . 16616 1 592 . 1 1 65 65 TYR HB3 H 1 2.986 0.031 . 1 . . . . 154 TYR HB3 . 16616 1 593 . 1 1 65 65 TYR HD1 H 1 7.06 0.018 . 1 . . . . 154 TYR HD1 . 16616 1 594 . 1 1 65 65 TYR HD2 H 1 7.06 0.018 . 1 . . . . 154 TYR HD2 . 16616 1 595 . 1 1 65 65 TYR HE1 H 1 6.929 0.001 . 3 . . . . 154 TYR HE1 . 16616 1 596 . 1 1 65 65 TYR CA C 13 59.874 0.412 . 1 . . . . 154 TYR CA . 16616 1 597 . 1 1 65 65 TYR CB C 13 36.886 0.276 . 1 . . . . 154 TYR CB . 16616 1 598 . 1 1 65 65 TYR N N 15 114.485 0.43 . 1 . . . . 154 TYR N . 16616 1 599 . 1 1 66 66 ARG H H 1 7.608 0.011 . 1 . . . . 155 ARG H . 16616 1 600 . 1 1 66 66 ARG HA H 1 4.015 0.027 . 1 . . . . 155 ARG HA . 16616 1 601 . 1 1 66 66 ARG HB2 H 1 1.843 0.033 . 1 . . . . 155 ARG HB2 . 16616 1 602 . 1 1 66 66 ARG HB3 H 1 1.943 0.019 . 1 . . . . 155 ARG HB3 . 16616 1 603 . 1 1 66 66 ARG HD2 H 1 3.086 0.031 . 1 . . . . 155 ARG HD2 . 16616 1 604 . 1 1 66 66 ARG HD3 H 1 3.276 0.059 . 1 . . . . 155 ARG HD3 . 16616 1 605 . 1 1 66 66 ARG HE H 1 6.892 0.053 . 1 . . . . 155 ARG HE . 16616 1 606 . 1 1 66 66 ARG HG2 H 1 1.301 0.055 . 1 . . . . 155 ARG HG2 . 16616 1 607 . 1 1 66 66 ARG HG3 H 1 1.593 0.041 . 1 . . . . 155 ARG HG3 . 16616 1 608 . 1 1 66 66 ARG CA C 13 57.238 0.295 . 1 . . . . 155 ARG CA . 16616 1 609 . 1 1 66 66 ARG CB C 13 30.587 0.505 . 1 . . . . 155 ARG CB . 16616 1 610 . 1 1 66 66 ARG CG C 13 27.778 0.047 . 1 . . . . 155 ARG CG . 16616 1 611 . 1 1 66 66 ARG N N 15 118.611 0.095 . 1 . . . . 155 ARG N . 16616 1 612 . 1 1 66 66 ARG NE N 15 85.877 0.227 . 1 . . . . 155 ARG NE . 16616 1 613 . 1 1 67 67 TYR H H 1 7.319 0.013 . 1 . . . . 156 TYR H . 16616 1 614 . 1 1 67 67 TYR HA H 1 4.976 0.02 . 1 . . . . 156 TYR HA . 16616 1 615 . 1 1 67 67 TYR HB2 H 1 3.18 0.04 . 1 . . . . 156 TYR HB2 . 16616 1 616 . 1 1 67 67 TYR HB3 H 1 3.071 0.001 . 1 . . . . 156 TYR HB3 . 16616 1 617 . 1 1 67 67 TYR HD1 H 1 7.014 0.008 . 1 . . . . 156 TYR HD1 . 16616 1 618 . 1 1 67 67 TYR HD2 H 1 7.324 0.001 . 1 . . . . 156 TYR HD2 . 16616 1 619 . 1 1 67 67 TYR HE1 H 1 7.785 0.01 . 3 . . . . 156 TYR HE1 . 16616 1 620 . 1 1 67 67 TYR CA C 13 54.427 0.08 . 1 . . . . 156 TYR CA . 16616 1 621 . 1 1 67 67 TYR CB C 13 36.089 0.001 . 1 . . . . 156 TYR CB . 16616 1 622 . 1 1 67 67 TYR N N 15 119.597 0.151 . 1 . . . . 156 TYR N . 16616 1 623 . 1 1 68 68 PRO HA H 1 4.403 0.022 . 1 . . . . 157 PRO HA . 16616 1 624 . 1 1 68 68 PRO HB2 H 1 2.289 0.022 . 1 . . . . 157 PRO HB2 . 16616 1 625 . 1 1 68 68 PRO HB3 H 1 1.889 0.032 . 1 . . . . 157 PRO HB3 . 16616 1 626 . 1 1 68 68 PRO HD2 H 1 3.619 0.009 . 1 . . . . 157 PRO HD2 . 16616 1 627 . 1 1 68 68 PRO HD3 H 1 3.814 0.019 . 1 . . . . 157 PRO HD3 . 16616 1 628 . 1 1 68 68 PRO HG2 H 1 1.675 0.014 . 1 . . . . 157 PRO HG2 . 16616 1 629 . 1 1 68 68 PRO HG3 H 1 2.06 0.008 . 1 . . . . 157 PRO HG3 . 16616 1 630 . 1 1 68 68 PRO CA C 13 63.648 0.248 . 1 . . . . 157 PRO CA . 16616 1 631 . 1 1 68 68 PRO CB C 13 32.725 0.27 . 1 . . . . 157 PRO CB . 16616 1 632 . 1 1 68 68 PRO CD C 13 51.465 0.032 . 1 . . . . 157 PRO CD . 16616 1 633 . 1 1 68 68 PRO CG C 13 28.417 0.094 . 1 . . . . 157 PRO CG . 16616 1 634 . 1 1 69 69 ASN H H 1 8.487 0.018 . 1 . . . . 158 ASN H . 16616 1 635 . 1 1 69 69 ASN HA H 1 4.711 0.021 . 1 . . . . 158 ASN HA . 16616 1 636 . 1 1 69 69 ASN HB2 H 1 2.409 0.039 . 1 . . . . 158 ASN HB2 . 16616 1 637 . 1 1 69 69 ASN HB3 H 1 3.633 0.019 . 1 . . . . 158 ASN HB3 . 16616 1 638 . 1 1 69 69 ASN HD21 H 1 6.853 0.001 . 1 . . . . 158 ASN HD21 . 16616 1 639 . 1 1 69 69 ASN CA C 13 52.503 0.356 . 1 . . . . 158 ASN CA . 16616 1 640 . 1 1 69 69 ASN CB C 13 38.807 0.345 . 1 . . . . 158 ASN CB . 16616 1 641 . 1 1 69 69 ASN N N 15 115.761 0.25 . 1 . . . . 158 ASN N . 16616 1 642 . 1 1 70 70 GLN H H 1 7.201 0.009 . 1 . . . . 159 GLN H . 16616 1 643 . 1 1 70 70 GLN HA H 1 4.561 0.056 . 1 . . . . 159 GLN HA . 16616 1 644 . 1 1 70 70 GLN HB2 H 1 1.992 0.029 . 1 . . . . 159 GLN HB2 . 16616 1 645 . 1 1 70 70 GLN HB3 H 1 2.139 0.016 . 1 . . . . 159 GLN HB3 . 16616 1 646 . 1 1 70 70 GLN HE21 H 1 6.755 0.001 . 2 . . . . 159 GLN HE21 . 16616 1 647 . 1 1 70 70 GLN HG2 H 1 2.326 0.031 . 1 . . . . 159 GLN HG2 . 16616 1 648 . 1 1 70 70 GLN HG3 H 1 2.326 0.031 . 1 . . . . 159 GLN HG3 . 16616 1 649 . 1 1 70 70 GLN CA C 13 54.809 0.254 . 1 . . . . 159 GLN CA . 16616 1 650 . 1 1 70 70 GLN CB C 13 34.532 0.31 . 1 . . . . 159 GLN CB . 16616 1 651 . 1 1 70 70 GLN N N 15 114.045 0.461 . 1 . . . . 159 GLN N . 16616 1 652 . 1 1 71 71 VAL H H 1 8.507 0.023 . 1 . . . . 160 VAL H . 16616 1 653 . 1 1 71 71 VAL HA H 1 4.917 0.013 . 1 . . . . 160 VAL HA . 16616 1 654 . 1 1 71 71 VAL HB H 1 2.596 0.009 . 1 . . . . 160 VAL HB . 16616 1 655 . 1 1 71 71 VAL HG11 H 1 0.939 0.022 . 1 . . . . 160 VAL HG1 . 16616 1 656 . 1 1 71 71 VAL HG12 H 1 0.939 0.022 . 1 . . . . 160 VAL HG1 . 16616 1 657 . 1 1 71 71 VAL HG13 H 1 0.939 0.022 . 1 . . . . 160 VAL HG1 . 16616 1 658 . 1 1 71 71 VAL HG21 H 1 0.749 0.025 . 1 . . . . 160 VAL HG2 . 16616 1 659 . 1 1 71 71 VAL HG22 H 1 0.749 0.025 . 1 . . . . 160 VAL HG2 . 16616 1 660 . 1 1 71 71 VAL HG23 H 1 0.749 0.025 . 1 . . . . 160 VAL HG2 . 16616 1 661 . 1 1 71 71 VAL CA C 13 59.431 0.245 . 1 . . . . 160 VAL CA . 16616 1 662 . 1 1 71 71 VAL CB C 13 34.404 0.202 . 1 . . . . 160 VAL CB . 16616 1 663 . 1 1 71 71 VAL CG1 C 13 24.104 0.001 . 1 . . . . 160 VAL CG1 . 16616 1 664 . 1 1 71 71 VAL CG2 C 13 19.198 0.108 . 1 . . . . 160 VAL CG2 . 16616 1 665 . 1 1 71 71 VAL N N 15 112.494 0.313 . 1 . . . . 160 VAL N . 16616 1 666 . 1 1 72 72 TYR H H 1 8.426 0.007 . 1 . . . . 161 TYR H . 16616 1 667 . 1 1 72 72 TYR HA H 1 5.571 0.016 . 1 . . . . 161 TYR HA . 16616 1 668 . 1 1 72 72 TYR HB2 H 1 2.624 0.023 . 1 . . . . 161 TYR HB2 . 16616 1 669 . 1 1 72 72 TYR HB3 H 1 2.602 0.043 . 1 . . . . 161 TYR HB3 . 16616 1 670 . 1 1 72 72 TYR HD1 H 1 6.901 0.019 . 1 . . . . 161 TYR HD1 . 16616 1 671 . 1 1 72 72 TYR HD2 H 1 6.659 0.012 . 1 . . . . 161 TYR HD2 . 16616 1 672 . 1 1 72 72 TYR HE1 H 1 6.321 0.006 . 1 . . . . 161 TYR HE1 . 16616 1 673 . 1 1 72 72 TYR HE2 H 1 6.858 0.025 . 1 . . . . 161 TYR HE2 . 16616 1 674 . 1 1 72 72 TYR HH H 1 8.652 0.001 . 1 . . . . 161 TYR HH . 16616 1 675 . 1 1 72 72 TYR CA C 13 57.602 0.53 . 1 . . . . 161 TYR CA . 16616 1 676 . 1 1 72 72 TYR CB C 13 42.513 0.341 . 1 . . . . 161 TYR CB . 16616 1 677 . 1 1 72 72 TYR N N 15 121.038 0.098 . 1 . . . . 161 TYR N . 16616 1 678 . 1 1 73 73 TYR H H 1 8.581 0.008 . 1 . . . . 162 TYR H . 16616 1 679 . 1 1 73 73 TYR HA H 1 4.86 0.014 . 1 . . . . 162 TYR HA . 16616 1 680 . 1 1 73 73 TYR HB2 H 1 2.883 0.045 . 1 . . . . 162 TYR HB2 . 16616 1 681 . 1 1 73 73 TYR HB3 H 1 2.696 0.037 . 1 . . . . 162 TYR HB3 . 16616 1 682 . 1 1 73 73 TYR HD1 H 1 7.155 0.016 . 1 . . . . 162 TYR HD1 . 16616 1 683 . 1 1 73 73 TYR HE1 H 1 6.487 0.014 . 1 . . . . 162 TYR HE1 . 16616 1 684 . 1 1 73 73 TYR HE2 H 1 6.636 0.021 . 3 . . . . 162 TYR HE2 . 16616 1 685 . 1 1 73 73 TYR CA C 13 56.629 0.311 . 1 . . . . 162 TYR CA . 16616 1 686 . 1 1 73 73 TYR CB C 13 40.624 0.281 . 1 . . . . 162 TYR CB . 16616 1 687 . 1 1 73 73 TYR N N 15 110.931 0.392 . 1 . . . . 162 TYR N . 16616 1 688 . 1 1 74 74 ARG H H 1 7.933 0.022 . 1 . . . . 163 ARG H . 16616 1 689 . 1 1 74 74 ARG HA H 1 4.616 0.012 . 1 . . . . 163 ARG HA . 16616 1 690 . 1 1 74 74 ARG HB2 H 1 2.01 0.001 . 1 . . . . 163 ARG HB2 . 16616 1 691 . 1 1 74 74 ARG HB3 H 1 2 0.001 . 1 . . . . 163 ARG HB3 . 16616 1 692 . 1 1 74 74 ARG HD2 H 1 3.397 0.023 . 1 . . . . 163 ARG HD2 . 16616 1 693 . 1 1 74 74 ARG HD3 H 1 2.919 0.017 . 1 . . . . 163 ARG HD3 . 16616 1 694 . 1 1 74 74 ARG HG2 H 1 1.636 0.031 . 1 . . . . 163 ARG HG2 . 16616 1 695 . 1 1 74 74 ARG CA C 13 54.413 0.327 . 1 . . . . 163 ARG CA . 16616 1 696 . 1 1 74 74 ARG CB C 13 33.37 0.001 . 1 . . . . 163 ARG CB . 16616 1 697 . 1 1 74 74 ARG CD C 13 42.714 0.018 . 1 . . . . 163 ARG CD . 16616 1 698 . 1 1 74 74 ARG N N 15 120.465 0.138 . 1 . . . . 163 ARG N . 16616 1 699 . 1 1 75 75 PRO HA H 1 4.587 0.017 . 1 . . . . 164 PRO HA . 16616 1 700 . 1 1 75 75 PRO HB2 H 1 2.011 0.038 . 1 . . . . 164 PRO HB2 . 16616 1 701 . 1 1 75 75 PRO HB3 H 1 2.472 0.04 . 1 . . . . 164 PRO HB3 . 16616 1 702 . 1 1 75 75 PRO HD2 H 1 3.428 0.017 . 1 . . . . 164 PRO HD2 . 16616 1 703 . 1 1 75 75 PRO HD3 H 1 3.65 0.021 . 1 . . . . 164 PRO HD3 . 16616 1 704 . 1 1 75 75 PRO HG2 H 1 2.1 0.037 . 1 . . . . 164 PRO HG2 . 16616 1 705 . 1 1 75 75 PRO HG3 H 1 2.1 0.037 . 1 . . . . 164 PRO HG3 . 16616 1 706 . 1 1 75 75 PRO CA C 13 63.907 0.134 . 1 . . . . 164 PRO CA . 16616 1 707 . 1 1 75 75 PRO CB C 13 33.094 0.356 . 1 . . . . 164 PRO CB . 16616 1 708 . 1 1 75 75 PRO CD C 13 51.04 0.216 . 1 . . . . 164 PRO CD . 16616 1 709 . 1 1 76 76 VAL H H 1 8.588 0.014 . 1 . . . . 165 VAL H . 16616 1 710 . 1 1 76 76 VAL HA H 1 4.302 0.007 . 1 . . . . 165 VAL HA . 16616 1 711 . 1 1 76 76 VAL HB H 1 2.125 0.056 . 1 . . . . 165 VAL HB . 16616 1 712 . 1 1 76 76 VAL HG11 H 1 0.846 0.018 . 1 . . . . 165 VAL HG1 . 16616 1 713 . 1 1 76 76 VAL HG12 H 1 0.846 0.018 . 1 . . . . 165 VAL HG1 . 16616 1 714 . 1 1 76 76 VAL HG13 H 1 0.846 0.018 . 1 . . . . 165 VAL HG1 . 16616 1 715 . 1 1 76 76 VAL HG21 H 1 1.027 0.078 . 1 . . . . 165 VAL HG2 . 16616 1 716 . 1 1 76 76 VAL HG22 H 1 1.027 0.078 . 1 . . . . 165 VAL HG2 . 16616 1 717 . 1 1 76 76 VAL HG23 H 1 1.027 0.078 . 1 . . . . 165 VAL HG2 . 16616 1 718 . 1 1 76 76 VAL CA C 13 66.226 0.222 . 1 . . . . 165 VAL CA . 16616 1 719 . 1 1 76 76 VAL CB C 13 32.912 0.393 . 1 . . . . 165 VAL CB . 16616 1 720 . 1 1 76 76 VAL CG1 C 13 22.183 0.05 . 1 . . . . 165 VAL CG1 . 16616 1 721 . 1 1 76 76 VAL CG2 C 13 22.174 0.123 . 1 . . . . 165 VAL CG2 . 16616 1 722 . 1 1 76 76 VAL N N 15 118.467 0.083 . 1 . . . . 165 VAL N . 16616 1 723 . 1 1 77 77 ASP H H 1 8.277 0.015 . 1 . . . . 166 ASP H . 16616 1 724 . 1 1 77 77 ASP HA H 1 4.588 0.039 . 1 . . . . 166 ASP HA . 16616 1 725 . 1 1 77 77 ASP HB2 H 1 2.906 0.015 . 1 . . . . 166 ASP HB2 . 16616 1 726 . 1 1 77 77 ASP HB3 H 1 2.694 0.021 . 1 . . . . 166 ASP HB3 . 16616 1 727 . 1 1 77 77 ASP CA C 13 55.152 0.464 . 1 . . . . 166 ASP CA . 16616 1 728 . 1 1 77 77 ASP CB C 13 40.204 0.457 . 1 . . . . 166 ASP CB . 16616 1 729 . 1 1 77 77 ASP N N 15 117.188 0.141 . 1 . . . . 166 ASP N . 16616 1 730 . 1 1 78 78 GLN H H 1 8.241 0.024 . 1 . . . . 167 GLN H . 16616 1 731 . 1 1 78 78 GLN HA H 1 4.103 0.01 . 1 . . . . 167 GLN HA . 16616 1 732 . 1 1 78 78 GLN HB2 H 1 1.912 0.024 . 1 . . . . 167 GLN HB2 . 16616 1 733 . 1 1 78 78 GLN HB3 H 1 1.741 0.024 . 1 . . . . 167 GLN HB3 . 16616 1 734 . 1 1 78 78 GLN HG2 H 1 2.23 0.011 . 1 . . . . 167 GLN HG2 . 16616 1 735 . 1 1 78 78 GLN HG3 H 1 2.224 0.012 . 1 . . . . 167 GLN HG3 . 16616 1 736 . 1 1 78 78 GLN CA C 13 56.266 0.434 . 1 . . . . 167 GLN CA . 16616 1 737 . 1 1 78 78 GLN CB C 13 27.45 0.105 . 1 . . . . 167 GLN CB . 16616 1 738 . 1 1 78 78 GLN CG C 13 34.852 0.199 . 1 . . . . 167 GLN CG . 16616 1 739 . 1 1 78 78 GLN N N 15 117.295 0.164 . 1 . . . . 167 GLN N . 16616 1 740 . 1 1 79 79 TYR H H 1 7.866 0.012 . 1 . . . . 168 TYR H . 16616 1 741 . 1 1 79 79 TYR HA H 1 4.974 0.212 . 1 . . . . 168 TYR HA . 16616 1 742 . 1 1 79 79 TYR HB2 H 1 3.397 0.036 . 1 . . . . 168 TYR HB2 . 16616 1 743 . 1 1 79 79 TYR HB3 H 1 3.012 0.029 . 1 . . . . 168 TYR HB3 . 16616 1 744 . 1 1 79 79 TYR HD1 H 1 7.37 0.056 . 1 . . . . 168 TYR HD1 . 16616 1 745 . 1 1 79 79 TYR HD2 H 1 7.35 0.014 . 1 . . . . 168 TYR HD2 . 16616 1 746 . 1 1 79 79 TYR HE2 H 1 6.949 0.001 . 1 . . . . 168 TYR HE2 . 16616 1 747 . 1 1 79 79 TYR CA C 13 57.657 0.346 . 1 . . . . 168 TYR CA . 16616 1 748 . 1 1 79 79 TYR CB C 13 42.588 0.283 . 1 . . . . 168 TYR CB . 16616 1 749 . 1 1 79 79 TYR N N 15 117.017 0.168 . 1 . . . . 168 TYR N . 16616 1 750 . 1 1 80 80 SER H H 1 9.231 0.057 . 1 . . . . 169 SER H . 16616 1 751 . 1 1 80 80 SER HA H 1 4.524 0.014 . 1 . . . . 169 SER HA . 16616 1 752 . 1 1 80 80 SER HB2 H 1 3.999 0.011 . 1 . . . . 169 SER HB2 . 16616 1 753 . 1 1 80 80 SER HB3 H 1 3.999 0.011 . 1 . . . . 169 SER HB3 . 16616 1 754 . 1 1 80 80 SER CA C 13 59.276 0.36 . 1 . . . . 169 SER CA . 16616 1 755 . 1 1 80 80 SER CB C 13 64.457 0.32 . 1 . . . . 169 SER CB . 16616 1 756 . 1 1 80 80 SER N N 15 114.994 0.209 . 1 . . . . 169 SER N . 16616 1 757 . 1 1 81 81 ASN H H 1 7.544 0.041 . 1 . . . . 170 ASN H . 16616 1 758 . 1 1 81 81 ASN HA H 1 4.77 0.014 . 1 . . . . 170 ASN HA . 16616 1 759 . 1 1 81 81 ASN HB2 H 1 3.215 0.031 . 1 . . . . 170 ASN HB2 . 16616 1 760 . 1 1 81 81 ASN HB3 H 1 3.024 0.037 . 1 . . . . 170 ASN HB3 . 16616 1 761 . 1 1 81 81 ASN HD21 H 1 6.753 0.001 . 1 . . . . 170 ASN HD21 . 16616 1 762 . 1 1 81 81 ASN CA C 13 52.661 0.295 . 1 . . . . 170 ASN CA . 16616 1 763 . 1 1 81 81 ASN CB C 13 40.702 0.34 . 1 . . . . 170 ASN CB . 16616 1 764 . 1 1 81 81 ASN N N 15 113.315 0.266 . 1 . . . . 170 ASN N . 16616 1 765 . 1 1 82 82 GLN H H 1 8.634 0.012 . 1 . . . . 171 GLN H . 16616 1 766 . 1 1 82 82 GLN HA H 1 3.753 0.05 . 1 . . . . 171 GLN HA . 16616 1 767 . 1 1 82 82 GLN HE21 H 1 6.772 0.001 . 1 . . . . 171 GLN HE21 . 16616 1 768 . 1 1 82 82 GLN HE22 H 1 7.381 0.044 . 1 . . . . 171 GLN HE22 . 16616 1 769 . 1 1 82 82 GLN HG2 H 1 2.474 0.022 . 1 . . . . 171 GLN HG2 . 16616 1 770 . 1 1 82 82 GLN HG3 H 1 2.709 0.017 . 1 . . . . 171 GLN HG3 . 16616 1 771 . 1 1 82 82 GLN CA C 13 59.768 0.287 . 1 . . . . 171 GLN CA . 16616 1 772 . 1 1 82 82 GLN CB C 13 29.563 0.001 . 1 . . . . 171 GLN CB . 16616 1 773 . 1 1 82 82 GLN CG C 13 34.463 0.078 . 1 . . . . 171 GLN CG . 16616 1 774 . 1 1 82 82 GLN N N 15 119.573 0.112 . 1 . . . . 171 GLN N . 16616 1 775 . 1 1 82 82 GLN NE2 N 15 110.977 0.26 . 1 . . . . 171 GLN NE2 . 16616 1 776 . 1 1 83 83 ASN H H 1 8.514 0.021 . 1 . . . . 172 ASN H . 16616 1 777 . 1 1 83 83 ASN HA H 1 4.243 0.025 . 1 . . . . 172 ASN HA . 16616 1 778 . 1 1 83 83 ASN HB2 H 1 2.738 0.037 . 1 . . . . 172 ASN HB2 . 16616 1 779 . 1 1 83 83 ASN HB3 H 1 2.711 0.064 . 1 . . . . 172 ASN HB3 . 16616 1 780 . 1 1 83 83 ASN HD21 H 1 7.564 0.006 . 1 . . . . 172 ASN HD21 . 16616 1 781 . 1 1 83 83 ASN HD22 H 1 6.896 0.004 . 1 . . . . 172 ASN HD22 . 16616 1 782 . 1 1 83 83 ASN CA C 13 57.179 0.324 . 1 . . . . 172 ASN CA . 16616 1 783 . 1 1 83 83 ASN CB C 13 38.201 0.304 . 1 . . . . 172 ASN CB . 16616 1 784 . 1 1 83 83 ASN N N 15 117.009 0.137 . 1 . . . . 172 ASN N . 16616 1 785 . 1 1 84 84 SER H H 1 8.408 0.024 . 1 . . . . 173 SER H . 16616 1 786 . 1 1 84 84 SER HA H 1 4.27 0.024 . 1 . . . . 173 SER HA . 16616 1 787 . 1 1 84 84 SER HB2 H 1 4.202 0.001 . 1 . . . . 173 SER HB . 16616 1 788 . 1 1 84 84 SER HB3 H 1 4.202 0.001 . 1 . . . . 173 SER HB . 16616 1 789 . 1 1 84 84 SER CA C 13 62.202 0.298 . 1 . . . . 173 SER CA . 16616 1 790 . 1 1 84 84 SER CB C 13 63.065 0.084 . 1 . . . . 173 SER CB . 16616 1 791 . 1 1 84 84 SER N N 15 115.374 0.273 . 1 . . . . 173 SER N . 16616 1 792 . 1 1 85 85 PHE H H 1 7.104 0.009 . 1 . . . . 174 PHE H . 16616 1 793 . 1 1 85 85 PHE HA H 1 4.186 0.103 . 1 . . . . 174 PHE HA . 16616 1 794 . 1 1 85 85 PHE HB2 H 1 2.752 0.037 . 1 . . . . 174 PHE HB2 . 16616 1 795 . 1 1 85 85 PHE HB3 H 1 2.903 0.012 . 1 . . . . 174 PHE HB3 . 16616 1 796 . 1 1 85 85 PHE HE1 H 1 7.187 0.031 . 3 . . . . 174 PHE HE1 . 16616 1 797 . 1 1 85 85 PHE HZ H 1 6.702 0.001 . 1 . . . . 174 PHE HZ . 16616 1 798 . 1 1 85 85 PHE CA C 13 60.962 0.039 . 1 . . . . 174 PHE CA . 16616 1 799 . 1 1 85 85 PHE CB C 13 40.603 0.001 . 1 . . . . 174 PHE CB . 16616 1 800 . 1 1 85 85 PHE N N 15 123.404 0.048 . 1 . . . . 174 PHE N . 16616 1 801 . 1 1 86 86 VAL H H 1 8.89 0.023 . 1 . . . . 175 VAL H . 16616 1 802 . 1 1 86 86 VAL HA H 1 3.394 0.022 . 1 . . . . 175 VAL HA . 16616 1 803 . 1 1 86 86 VAL HB H 1 2.217 0.049 . 1 . . . . 175 VAL HB . 16616 1 804 . 1 1 86 86 VAL HG11 H 1 1.046 0.045 . 1 . . . . 175 VAL HG1 . 16616 1 805 . 1 1 86 86 VAL HG12 H 1 1.046 0.045 . 1 . . . . 175 VAL HG1 . 16616 1 806 . 1 1 86 86 VAL HG13 H 1 1.046 0.045 . 1 . . . . 175 VAL HG1 . 16616 1 807 . 1 1 86 86 VAL HG21 H 1 1.048 0.046 . 1 . . . . 175 VAL HG2 . 16616 1 808 . 1 1 86 86 VAL HG22 H 1 1.048 0.046 . 1 . . . . 175 VAL HG2 . 16616 1 809 . 1 1 86 86 VAL HG23 H 1 1.048 0.046 . 1 . . . . 175 VAL HG2 . 16616 1 810 . 1 1 86 86 VAL CA C 13 67.94 0.705 . 1 . . . . 175 VAL CA . 16616 1 811 . 1 1 86 86 VAL CB C 13 32.591 0.081 . 1 . . . . 175 VAL CB . 16616 1 812 . 1 1 86 86 VAL CG1 C 13 22.819 0.195 . 1 . . . . 175 VAL CG1 . 16616 1 813 . 1 1 86 86 VAL CG2 C 13 25.33 0.139 . 1 . . . . 175 VAL CG2 . 16616 1 814 . 1 1 86 86 VAL N N 15 120.119 0.087 . 1 . . . . 175 VAL N . 16616 1 815 . 1 1 87 87 HIS H H 1 8.375 0.022 . 1 . . . . 176 HIS H . 16616 1 816 . 1 1 87 87 HIS HA H 1 4.283 0.021 . 1 . . . . 176 HIS HA . 16616 1 817 . 1 1 87 87 HIS HB2 H 1 3.326 0.027 . 1 . . . . 176 HIS HB2 . 16616 1 818 . 1 1 87 87 HIS HB3 H 1 3.326 0.027 . 1 . . . . 176 HIS HB3 . 16616 1 819 . 1 1 87 87 HIS HD1 H 1 7.349 0.001 . 1 . . . . 176 HIS HD1 . 16616 1 820 . 1 1 87 87 HIS HD2 H 1 8.165 0.064 . 1 . . . . 176 HIS HD2 . 16616 1 821 . 1 1 87 87 HIS CA C 13 59.952 0.401 . 1 . . . . 176 HIS CA . 16616 1 822 . 1 1 87 87 HIS CB C 13 28.787 0.469 . 1 . . . . 176 HIS CB . 16616 1 823 . 1 1 87 87 HIS N N 15 116.273 0.287 . 1 . . . . 176 HIS N . 16616 1 824 . 1 1 88 88 ASP H H 1 7.38 0.015 . 1 . . . . 177 ASP H . 16616 1 825 . 1 1 88 88 ASP HA H 1 4.566 0.031 . 1 . . . . 177 ASP HA . 16616 1 826 . 1 1 88 88 ASP HB2 H 1 3.004 0.04 . 1 . . . . 177 ASP HB2 . 16616 1 827 . 1 1 88 88 ASP HB3 H 1 2.989 0.016 . 1 . . . . 177 ASP HB3 . 16616 1 828 . 1 1 88 88 ASP CA C 13 57.756 0.363 . 1 . . . . 177 ASP CA . 16616 1 829 . 1 1 88 88 ASP CB C 13 41.811 0.533 . 1 . . . . 177 ASP CB . 16616 1 830 . 1 1 88 88 ASP N N 15 118.458 0.115 . 1 . . . . 177 ASP N . 16616 1 831 . 1 1 89 89 CYS H H 1 8.137 0.02 . 1 . . . . 178 CYS H . 16616 1 832 . 1 1 89 89 CYS HA H 1 4.67 0.036 . 1 . . . . 178 CYS HA . 16616 1 833 . 1 1 89 89 CYS HB2 H 1 2.848 0.023 . 1 . . . . 178 CYS HB2 . 16616 1 834 . 1 1 89 89 CYS HB3 H 1 3.201 0.035 . 1 . . . . 178 CYS HB3 . 16616 1 835 . 1 1 89 89 CYS CA C 13 59.424 0.306 . 1 . . . . 178 CYS CA . 16616 1 836 . 1 1 89 89 CYS CB C 13 39.612 3.743 . 1 . . . . 178 CYS CB . 16616 1 837 . 1 1 89 89 CYS N N 15 119.236 0.122 . 1 . . . . 178 CYS N . 16616 1 838 . 1 1 90 90 VAL H H 1 9.209 0.05 . 1 . . . . 179 VAL H . 16616 1 839 . 1 1 90 90 VAL HA H 1 3.675 0.026 . 1 . . . . 179 VAL HA . 16616 1 840 . 1 1 90 90 VAL HB H 1 2.141 0.047 . 1 . . . . 179 VAL HB . 16616 1 841 . 1 1 90 90 VAL HG11 H 1 1.035 0.028 . 1 . . . . 179 VAL HG1 . 16616 1 842 . 1 1 90 90 VAL HG12 H 1 1.035 0.028 . 1 . . . . 179 VAL HG1 . 16616 1 843 . 1 1 90 90 VAL HG13 H 1 1.035 0.028 . 1 . . . . 179 VAL HG1 . 16616 1 844 . 1 1 90 90 VAL HG21 H 1 0.963 0.03 . 1 . . . . 179 VAL HG2 . 16616 1 845 . 1 1 90 90 VAL HG22 H 1 0.963 0.03 . 1 . . . . 179 VAL HG2 . 16616 1 846 . 1 1 90 90 VAL HG23 H 1 0.963 0.03 . 1 . . . . 179 VAL HG2 . 16616 1 847 . 1 1 90 90 VAL CA C 13 66.761 0.249 . 1 . . . . 179 VAL CA . 16616 1 848 . 1 1 90 90 VAL CB C 13 32.623 0.713 . 1 . . . . 179 VAL CB . 16616 1 849 . 1 1 90 90 VAL CG1 C 13 22.808 0.16 . 1 . . . . 179 VAL CG1 . 16616 1 850 . 1 1 90 90 VAL CG2 C 13 22.067 0.1 . 1 . . . . 179 VAL CG2 . 16616 1 851 . 1 1 90 90 VAL N N 15 124.198 0.157 . 1 . . . . 179 VAL N . 16616 1 852 . 1 1 91 91 ASN H H 1 7.646 0.015 . 1 . . . . 180 ASN H . 16616 1 853 . 1 1 91 91 ASN HA H 1 4.321 0.035 . 1 . . . . 180 ASN HA . 16616 1 854 . 1 1 91 91 ASN HB2 H 1 2.859 0.026 . 1 . . . . 180 ASN HB2 . 16616 1 855 . 1 1 91 91 ASN HB3 H 1 2.81 0.03 . 1 . . . . 180 ASN HB3 . 16616 1 856 . 1 1 91 91 ASN HD21 H 1 6.789 0.019 . 1 . . . . 180 ASN HD21 . 16616 1 857 . 1 1 91 91 ASN HD22 H 1 7.614 0.04 . 1 . . . . 180 ASN HD22 . 16616 1 858 . 1 1 91 91 ASN CA C 13 57.208 0.35 . 1 . . . . 180 ASN CA . 16616 1 859 . 1 1 91 91 ASN CB C 13 39.419 0.375 . 1 . . . . 180 ASN CB . 16616 1 860 . 1 1 91 91 ASN N N 15 116.526 0.238 . 1 . . . . 180 ASN N . 16616 1 861 . 1 1 91 91 ASN ND2 N 15 112.002 0.302 . 1 . . . . 180 ASN ND2 . 16616 1 862 . 1 1 92 92 ILE H H 1 8.675 0.016 . 1 . . . . 181 ILE H . 16616 1 863 . 1 1 92 92 ILE HA H 1 3.757 0.027 . 1 . . . . 181 ILE HA . 16616 1 864 . 1 1 92 92 ILE HB H 1 1.61 0.02 . 1 . . . . 181 ILE HB . 16616 1 865 . 1 1 92 92 ILE HD11 H 1 0.406 0.027 . 1 . . . . 181 ILE HD1 . 16616 1 866 . 1 1 92 92 ILE HD12 H 1 0.406 0.027 . 1 . . . . 181 ILE HD1 . 16616 1 867 . 1 1 92 92 ILE HD13 H 1 0.406 0.027 . 1 . . . . 181 ILE HD1 . 16616 1 868 . 1 1 92 92 ILE HG12 H 1 0.861 0.044 . 1 . . . . 181 ILE HG11 . 16616 1 869 . 1 1 92 92 ILE HG13 H 1 0.983 0.025 . 1 . . . . 181 ILE HG12 . 16616 1 870 . 1 1 92 92 ILE HG21 H 1 0.227 0.018 . 1 . . . . 181 ILE HG2 . 16616 1 871 . 1 1 92 92 ILE HG22 H 1 0.227 0.018 . 1 . . . . 181 ILE HG2 . 16616 1 872 . 1 1 92 92 ILE HG23 H 1 0.227 0.018 . 1 . . . . 181 ILE HG2 . 16616 1 873 . 1 1 92 92 ILE CA C 13 62.772 0.306 . 1 . . . . 181 ILE CA . 16616 1 874 . 1 1 92 92 ILE CB C 13 37.063 0.235 . 1 . . . . 181 ILE CB . 16616 1 875 . 1 1 92 92 ILE CD1 C 13 11.844 0.193 . 1 . . . . 181 ILE CD1 . 16616 1 876 . 1 1 92 92 ILE CG1 C 13 28.153 0.072 . 1 . . . . 181 ILE CG1 . 16616 1 877 . 1 1 92 92 ILE CG2 C 13 19.176 0.039 . 1 . . . . 181 ILE CG2 . 16616 1 878 . 1 1 92 92 ILE N N 15 117.951 0.131 . 1 . . . . 181 ILE N . 16616 1 879 . 1 1 93 93 THR H H 1 8.091 0.021 . 1 . . . . 182 THR H . 16616 1 880 . 1 1 93 93 THR HA H 1 4.059 0.074 . 1 . . . . 182 THR HA . 16616 1 881 . 1 1 93 93 THR HB H 1 4.505 0.017 . 1 . . . . 182 THR HB . 16616 1 882 . 1 1 93 93 THR HG21 H 1 1.474 0.025 . 1 . . . . 182 THR HG2 . 16616 1 883 . 1 1 93 93 THR HG22 H 1 1.474 0.025 . 1 . . . . 182 THR HG2 . 16616 1 884 . 1 1 93 93 THR HG23 H 1 1.474 0.025 . 1 . . . . 182 THR HG2 . 16616 1 885 . 1 1 93 93 THR CA C 13 69.187 0.268 . 1 . . . . 182 THR CA . 16616 1 886 . 1 1 93 93 THR CB C 13 69.109 0.055 . 1 . . . . 182 THR CB . 16616 1 887 . 1 1 93 93 THR CG2 C 13 23.18 0.038 . 1 . . . . 182 THR CG2 . 16616 1 888 . 1 1 93 93 THR N N 15 117.951 0.136 . 1 . . . . 182 THR N . 16616 1 889 . 1 1 94 94 VAL H H 1 8.808 0.014 . 1 . . . . 183 VAL H . 16616 1 890 . 1 1 94 94 VAL HA H 1 3.601 0.022 . 1 . . . . 183 VAL HA . 16616 1 891 . 1 1 94 94 VAL HB H 1 2.285 0.024 . 1 . . . . 183 VAL HB . 16616 1 892 . 1 1 94 94 VAL HG11 H 1 1.023 0.039 . 1 . . . . 183 VAL HG1 . 16616 1 893 . 1 1 94 94 VAL HG12 H 1 1.023 0.039 . 1 . . . . 183 VAL HG1 . 16616 1 894 . 1 1 94 94 VAL HG13 H 1 1.023 0.039 . 1 . . . . 183 VAL HG1 . 16616 1 895 . 1 1 94 94 VAL HG21 H 1 1.003 0.031 . 1 . . . . 183 VAL HG2 . 16616 1 896 . 1 1 94 94 VAL HG22 H 1 1.003 0.031 . 1 . . . . 183 VAL HG2 . 16616 1 897 . 1 1 94 94 VAL HG23 H 1 1.003 0.031 . 1 . . . . 183 VAL HG2 . 16616 1 898 . 1 1 94 94 VAL CA C 13 68.248 0.338 . 1 . . . . 183 VAL CA . 16616 1 899 . 1 1 94 94 VAL CB C 13 32.006 0.504 . 1 . . . . 183 VAL CB . 16616 1 900 . 1 1 94 94 VAL CG1 C 13 24.208 0.147 . 1 . . . . 183 VAL CG1 . 16616 1 901 . 1 1 94 94 VAL CG2 C 13 24.104 0.001 . 1 . . . . 183 VAL CG2 . 16616 1 902 . 1 1 94 94 VAL N N 15 120.81 0.057 . 1 . . . . 183 VAL N . 16616 1 903 . 1 1 95 95 LYS H H 1 7.893 0.017 . 1 . . . . 184 LYS H . 16616 1 904 . 1 1 95 95 LYS HA H 1 4.062 0.019 . 1 . . . . 184 LYS HA . 16616 1 905 . 1 1 95 95 LYS HB2 H 1 1.945 0.041 . 1 . . . . 184 LYS HB2 . 16616 1 906 . 1 1 95 95 LYS HB3 H 1 1.965 0.032 . 1 . . . . 184 LYS HB3 . 16616 1 907 . 1 1 95 95 LYS HD2 H 1 1.624 0.039 . 1 . . . . 184 LYS HD2 . 16616 1 908 . 1 1 95 95 LYS HD3 H 1 1.651 0.001 . 1 . . . . 184 LYS HD3 . 16616 1 909 . 1 1 95 95 LYS HE2 H 1 2.913 0.013 . 1 . . . . 184 LYS HE2 . 16616 1 910 . 1 1 95 95 LYS HE3 H 1 2.913 0.013 . 1 . . . . 184 LYS HE3 . 16616 1 911 . 1 1 95 95 LYS HG2 H 1 1.516 0.04 . 1 . . . . 184 LYS HG2 . 16616 1 912 . 1 1 95 95 LYS HG3 H 1 1.417 0.037 . 1 . . . . 184 LYS HG3 . 16616 1 913 . 1 1 95 95 LYS CA C 13 60.25 0.459 . 1 . . . . 184 LYS CA . 16616 1 914 . 1 1 95 95 LYS CB C 13 32.771 0.436 . 1 . . . . 184 LYS CB . 16616 1 915 . 1 1 95 95 LYS CD C 13 29.597 0.332 . 1 . . . . 184 LYS CD . 16616 1 916 . 1 1 95 95 LYS CE C 13 42.656 0.035 . 1 . . . . 184 LYS CE . 16616 1 917 . 1 1 95 95 LYS CG C 13 25.499 0.362 . 1 . . . . 184 LYS CG . 16616 1 918 . 1 1 95 95 LYS N N 15 121.502 0.076 . 1 . . . . 184 LYS N . 16616 1 919 . 1 1 96 96 GLN H H 1 8.372 0.015 . 1 . . . . 185 GLN H . 16616 1 920 . 1 1 96 96 GLN HA H 1 3.95 0.038 . 1 . . . . 185 GLN HA . 16616 1 921 . 1 1 96 96 GLN HB2 H 1 2.149 0.02 . 1 . . . . 185 GLN HB2 . 16616 1 922 . 1 1 96 96 GLN HB3 H 1 2.149 0.02 . 1 . . . . 185 GLN HB3 . 16616 1 923 . 1 1 96 96 GLN HG2 H 1 2.346 0.02 . 1 . . . . 185 GLN HG2 . 16616 1 924 . 1 1 96 96 GLN HG3 H 1 2.425 0.001 . 1 . . . . 185 GLN HG3 . 16616 1 925 . 1 1 96 96 GLN CA C 13 57.857 0.001 . 1 . . . . 185 GLN CA . 16616 1 926 . 1 1 96 96 GLN CB C 13 28.615 0.271 . 1 . . . . 185 GLN CB . 16616 1 927 . 1 1 96 96 GLN N N 15 116.551 0.229 . 1 . . . . 185 GLN N . 16616 1 928 . 1 1 97 97 HIS H H 1 8.13 0.01 . 1 . . . . 186 HIS H . 16616 1 929 . 1 1 97 97 HIS HA H 1 4.593 0.035 . 1 . . . . 186 HIS HA . 16616 1 930 . 1 1 97 97 HIS HB2 H 1 3.139 0.015 . 1 . . . . 186 HIS HB2 . 16616 1 931 . 1 1 97 97 HIS HB3 H 1 3.412 0.041 . 1 . . . . 186 HIS HB3 . 16616 1 932 . 1 1 97 97 HIS HD2 H 1 6.905 0.01 . 1 . . . . 186 HIS HD2 . 16616 1 933 . 1 1 97 97 HIS CA C 13 60.731 0.009 . 1 . . . . 186 HIS CA . 16616 1 934 . 1 1 97 97 HIS CB C 13 31.85 0.692 . 1 . . . . 186 HIS CB . 16616 1 935 . 1 1 97 97 HIS N N 15 117.587 0.028 . 1 . . . . 186 HIS N . 16616 1 936 . 1 1 98 98 THR H H 1 8.163 0.019 . 1 . . . . 187 THR H . 16616 1 937 . 1 1 98 98 THR HA H 1 4.187 0.02 . 1 . . . . 187 THR HA . 16616 1 938 . 1 1 98 98 THR HB H 1 4.255 0.015 . 1 . . . . 187 THR HB . 16616 1 939 . 1 1 98 98 THR HG21 H 1 1.293 0.007 . 1 . . . . 187 THR HG2 . 16616 1 940 . 1 1 98 98 THR HG22 H 1 1.293 0.007 . 1 . . . . 187 THR HG2 . 16616 1 941 . 1 1 98 98 THR HG23 H 1 1.293 0.007 . 1 . . . . 187 THR HG2 . 16616 1 942 . 1 1 98 98 THR CA C 13 65.234 0.194 . 1 . . . . 187 THR CA . 16616 1 943 . 1 1 98 98 THR CB C 13 69.617 0.203 . 1 . . . . 187 THR CB . 16616 1 944 . 1 1 98 98 THR CG2 C 13 22.549 0.036 . 1 . . . . 187 THR CG2 . 16616 1 945 . 1 1 98 98 THR N N 15 112.974 0.336 . 1 . . . . 187 THR N . 16616 1 946 . 1 1 99 99 VAL H H 1 8.014 0.018 . 1 . . . . 188 VAL H . 16616 1 947 . 1 1 99 99 VAL HA H 1 4.037 0.018 . 1 . . . . 188 VAL HA . 16616 1 948 . 1 1 99 99 VAL HB H 1 2.226 0.007 . 1 . . . . 188 VAL HB . 16616 1 949 . 1 1 99 99 VAL HG11 H 1 1.213 0.023 . 1 . . . . 188 VAL HG1 . 16616 1 950 . 1 1 99 99 VAL HG12 H 1 1.213 0.023 . 1 . . . . 188 VAL HG1 . 16616 1 951 . 1 1 99 99 VAL HG13 H 1 1.213 0.023 . 1 . . . . 188 VAL HG1 . 16616 1 952 . 1 1 99 99 VAL HG21 H 1 0.746 0.001 . 1 . . . . 188 VAL HG2 . 16616 1 953 . 1 1 99 99 VAL HG22 H 1 0.746 0.001 . 1 . . . . 188 VAL HG2 . 16616 1 954 . 1 1 99 99 VAL HG23 H 1 0.746 0.001 . 1 . . . . 188 VAL HG2 . 16616 1 955 . 1 1 99 99 VAL CA C 13 65.754 0.042 . 1 . . . . 188 VAL CA . 16616 1 956 . 1 1 99 99 VAL CB C 13 32.253 0.26 . 1 . . . . 188 VAL CB . 16616 1 957 . 1 1 99 99 VAL CG1 C 13 22.258 0.094 . 1 . . . . 188 VAL CG1 . 16616 1 958 . 1 1 99 99 VAL CG2 C 13 22.952 0.001 . 1 . . . . 188 VAL CG2 . 16616 1 959 . 1 1 99 99 VAL N N 15 122.228 0.015 . 1 . . . . 188 VAL N . 16616 1 960 . 1 1 100 100 THR H H 1 8.116 0.009 . 1 . . . . 189 THR H . 16616 1 961 . 1 1 100 100 THR HA H 1 4.203 0.031 . 1 . . . . 189 THR HA . 16616 1 962 . 1 1 100 100 THR HB H 1 4.175 0.072 . 1 . . . . 189 THR HB . 16616 1 963 . 1 1 100 100 THR HG21 H 1 1.314 0.024 . 1 . . . . 189 THR HG2 . 16616 1 964 . 1 1 100 100 THR HG22 H 1 1.314 0.024 . 1 . . . . 189 THR HG2 . 16616 1 965 . 1 1 100 100 THR HG23 H 1 1.314 0.024 . 1 . . . . 189 THR HG2 . 16616 1 966 . 1 1 100 100 THR CA C 13 64.28 0.001 . 1 . . . . 189 THR CA . 16616 1 967 . 1 1 100 100 THR CB C 13 69.368 0.007 . 1 . . . . 189 THR CB . 16616 1 968 . 1 1 100 100 THR N N 15 115.376 0.203 . 1 . . . . 189 THR N . 16616 1 969 . 1 1 101 101 THR H H 1 7.977 0.023 . 1 . . . . 190 THR H . 16616 1 970 . 1 1 101 101 THR HA H 1 4.145 0.051 . 1 . . . . 190 THR HA . 16616 1 971 . 1 1 101 101 THR HB H 1 4.436 0.005 . 1 . . . . 190 THR HB . 16616 1 972 . 1 1 101 101 THR HG21 H 1 0.881 0.017 . 1 . . . . 190 THR HG2 . 16616 1 973 . 1 1 101 101 THR HG22 H 1 0.881 0.017 . 1 . . . . 190 THR HG2 . 16616 1 974 . 1 1 101 101 THR HG23 H 1 0.881 0.017 . 1 . . . . 190 THR HG2 . 16616 1 975 . 1 1 101 101 THR CB C 13 69.341 0.022 . 1 . . . . 190 THR CB . 16616 1 976 . 1 1 101 101 THR N N 15 115.122 0.228 . 1 . . . . 190 THR N . 16616 1 977 . 1 1 102 102 THR H H 1 8.16 0.016 . 1 . . . . 191 THR H . 16616 1 978 . 1 1 102 102 THR HA H 1 4.381 0.014 . 1 . . . . 191 THR HA . 16616 1 979 . 1 1 102 102 THR HB H 1 4.339 0.016 . 1 . . . . 191 THR HB . 16616 1 980 . 1 1 102 102 THR HG21 H 1 1.343 0.102 . 1 . . . . 191 THR HG2 . 16616 1 981 . 1 1 102 102 THR HG22 H 1 1.343 0.102 . 1 . . . . 191 THR HG2 . 16616 1 982 . 1 1 102 102 THR HG23 H 1 1.343 0.102 . 1 . . . . 191 THR HG2 . 16616 1 983 . 1 1 102 102 THR CA C 13 65.717 0.007 . 1 . . . . 191 THR CA . 16616 1 984 . 1 1 102 102 THR CB C 13 69.505 0.168 . 1 . . . . 191 THR CB . 16616 1 985 . 1 1 102 102 THR CG2 C 13 22.566 0.007 . 1 . . . . 191 THR CG2 . 16616 1 986 . 1 1 102 102 THR N N 15 116.154 0.125 . 1 . . . . 191 THR N . 16616 1 987 . 1 1 103 103 THR H H 1 7.996 0.034 . 1 . . . . 192 THR H . 16616 1 988 . 1 1 103 103 THR HA H 1 4.246 0.001 . 1 . . . . 192 THR HA . 16616 1 989 . 1 1 103 103 THR HB H 1 4.284 0.019 . 1 . . . . 192 THR HB . 16616 1 990 . 1 1 103 103 THR HG21 H 1 1.288 0.018 . 1 . . . . 192 THR HG2 . 16616 1 991 . 1 1 103 103 THR HG22 H 1 1.288 0.018 . 1 . . . . 192 THR HG2 . 16616 1 992 . 1 1 103 103 THR HG23 H 1 1.288 0.018 . 1 . . . . 192 THR HG2 . 16616 1 993 . 1 1 103 103 THR CA C 13 64.068 0.001 . 1 . . . . 192 THR CA . 16616 1 994 . 1 1 103 103 THR CB C 13 69.434 0.206 . 1 . . . . 192 THR CB . 16616 1 995 . 1 1 103 103 THR CG2 C 13 22.553 0.006 . 1 . . . . 192 THR CG2 . 16616 1 996 . 1 1 103 103 THR N N 15 116.281 0.289 . 1 . . . . 192 THR N . 16616 1 997 . 1 1 104 104 LYS H H 1 7.802 0.02 . 1 . . . . 193 LYS H . 16616 1 998 . 1 1 104 104 LYS HA H 1 4.378 0.003 . 1 . . . . 193 LYS HA . 16616 1 999 . 1 1 104 104 LYS HB2 H 1 1.981 0.021 . 1 . . . . 193 LYS HB2 . 16616 1 1000 . 1 1 104 104 LYS HB3 H 1 1.862 0.011 . 1 . . . . 193 LYS HB3 . 16616 1 1001 . 1 1 104 104 LYS HD2 H 1 1.731 0.016 . 1 . . . . 193 LYS HD2 . 16616 1 1002 . 1 1 104 104 LYS HD3 H 1 1.731 0.016 . 1 . . . . 193 LYS HD3 . 16616 1 1003 . 1 1 104 104 LYS HE2 H 1 2.939 0.031 . 1 . . . . 193 LYS HE2 . 16616 1 1004 . 1 1 104 104 LYS HE3 H 1 2.939 0.031 . 1 . . . . 193 LYS HE3 . 16616 1 1005 . 1 1 104 104 LYS HG2 H 1 1.509 0.037 . 1 . . . . 193 LYS HG2 . 16616 1 1006 . 1 1 104 104 LYS HG3 H 1 1.649 0.002 . 1 . . . . 193 LYS HG3 . 16616 1 1007 . 1 1 104 104 LYS CA C 13 56.934 0.278 . 1 . . . . 193 LYS CA . 16616 1 1008 . 1 1 104 104 LYS CB C 13 32.853 0.222 . 1 . . . . 193 LYS CB . 16616 1 1009 . 1 1 104 104 LYS CE C 13 42.668 0.02 . 1 . . . . 193 LYS CE . 16616 1 1010 . 1 1 104 104 LYS CG C 13 25.648 0.189 . 1 . . . . 193 LYS CG . 16616 1 1011 . 1 1 104 104 LYS N N 15 120.841 0.049 . 1 . . . . 193 LYS N . 16616 1 1012 . 1 1 105 105 GLY H H 1 8.066 0.015 . 1 . . . . 194 GLY H . 16616 1 1013 . 1 1 105 105 GLY HA2 H 1 4.099 0.007 . 1 . . . . 194 GLY HA2 . 16616 1 1014 . 1 1 105 105 GLY HA3 H 1 3.842 0.003 . 1 . . . . 194 GLY HA3 . 16616 1 1015 . 1 1 105 105 GLY CA C 13 45.503 0.03 . 1 . . . . 194 GLY CA . 16616 1 1016 . 1 1 105 105 GLY N N 15 108.429 0.447 . 1 . . . . 194 GLY N . 16616 1 1017 . 1 1 106 106 GLU H H 1 7.718 0.007 . 1 . . . . 195 GLU H . 16616 1 1018 . 1 1 106 106 GLU HA H 1 4.271 0.016 . 1 . . . . 195 GLU HA . 16616 1 1019 . 1 1 106 106 GLU HB2 H 1 1.617 0.007 . 1 . . . . 195 GLU HB2 . 16616 1 1020 . 1 1 106 106 GLU HB3 H 1 1.606 0.014 . 1 . . . . 195 GLU HB3 . 16616 1 1021 . 1 1 106 106 GLU HG2 H 1 2.035 0.036 . 1 . . . . 195 GLU HG2 . 16616 1 1022 . 1 1 106 106 GLU HG3 H 1 1.921 0.062 . 1 . . . . 195 GLU HG3 . 16616 1 1023 . 1 1 106 106 GLU CA C 13 56.213 0.286 . 1 . . . . 195 GLU CA . 16616 1 1024 . 1 1 106 106 GLU CB C 13 31.568 0.409 . 1 . . . . 195 GLU CB . 16616 1 1025 . 1 1 106 106 GLU CG C 13 36.783 0.01 . 1 . . . . 195 GLU CG . 16616 1 1026 . 1 1 106 106 GLU N N 15 119.915 0.121 . 1 . . . . 195 GLU N . 16616 1 1027 . 1 1 107 107 ASN H H 1 8.448 0.008 . 1 . . . . 196 ASN H . 16616 1 1028 . 1 1 107 107 ASN HA H 1 4.697 0.008 . 1 . . . . 196 ASN HA . 16616 1 1029 . 1 1 107 107 ASN HB2 H 1 2.658 0.025 . 1 . . . . 196 ASN HB2 . 16616 1 1030 . 1 1 107 107 ASN HB3 H 1 2.616 0.027 . 1 . . . . 196 ASN HB3 . 16616 1 1031 . 1 1 107 107 ASN CA C 13 53.294 0.416 . 1 . . . . 196 ASN CA . 16616 1 1032 . 1 1 107 107 ASN CB C 13 41.122 0.765 . 1 . . . . 196 ASN CB . 16616 1 1033 . 1 1 107 107 ASN N N 15 119.5 0.09 . 1 . . . . 196 ASN N . 16616 1 1034 . 1 1 108 108 PHE H H 1 8.573 0.01 . 1 . . . . 197 PHE H . 16616 1 1035 . 1 1 108 108 PHE HA H 1 5.267 0.031 . 1 . . . . 197 PHE HA . 16616 1 1036 . 1 1 108 108 PHE HB2 H 1 3.191 0.018 . 1 . . . . 197 PHE HB2 . 16616 1 1037 . 1 1 108 108 PHE HB3 H 1 2.965 0.026 . 1 . . . . 197 PHE HB3 . 16616 1 1038 . 1 1 108 108 PHE HD1 H 1 7.334 0.023 . 1 . . . . 197 PHE HD1 . 16616 1 1039 . 1 1 108 108 PHE HD2 H 1 7.599 0.001 . 1 . . . . 197 PHE HD2 . 16616 1 1040 . 1 1 108 108 PHE HE1 H 1 6.935 0.001 . 1 . . . . 197 PHE HE1 . 16616 1 1041 . 1 1 108 108 PHE HE2 H 1 6.643 0.018 . 1 . . . . 197 PHE HE2 . 16616 1 1042 . 1 1 108 108 PHE CA C 13 57.243 0.242 . 1 . . . . 197 PHE CA . 16616 1 1043 . 1 1 108 108 PHE CB C 13 40.513 2.557 . 1 . . . . 197 PHE CB . 16616 1 1044 . 1 1 108 108 PHE N N 15 121.885 0.036 . 1 . . . . 197 PHE N . 16616 1 1045 . 1 1 109 109 THR H H 1 9.556 0.013 . 1 . . . . 198 THR H . 16616 1 1046 . 1 1 109 109 THR HA H 1 4.621 0.007 . 1 . . . . 198 THR HA . 16616 1 1047 . 1 1 109 109 THR HB H 1 4.812 0.023 . 1 . . . . 198 THR HB . 16616 1 1048 . 1 1 109 109 THR HG21 H 1 1.421 0.022 . 1 . . . . 198 THR HG2 . 16616 1 1049 . 1 1 109 109 THR HG22 H 1 1.421 0.022 . 1 . . . . 198 THR HG2 . 16616 1 1050 . 1 1 109 109 THR HG23 H 1 1.421 0.022 . 1 . . . . 198 THR HG2 . 16616 1 1051 . 1 1 109 109 THR CA C 13 60.895 0.303 . 1 . . . . 198 THR CA . 16616 1 1052 . 1 1 109 109 THR CB C 13 72.533 0.278 . 1 . . . . 198 THR CB . 16616 1 1053 . 1 1 109 109 THR CG2 C 13 22.581 0.058 . 1 . . . . 198 THR CG2 . 16616 1 1054 . 1 1 109 109 THR N N 15 115.686 0.228 . 1 . . . . 198 THR N . 16616 1 1055 . 1 1 110 110 GLU H H 1 9.068 0.025 . 1 . . . . 199 GLU H . 16616 1 1056 . 1 1 110 110 GLU HA H 1 4.04 0.02 . 1 . . . . 199 GLU HA . 16616 1 1057 . 1 1 110 110 GLU HB2 H 1 2.092 0.037 . 1 . . . . 199 GLU HB2 . 16616 1 1058 . 1 1 110 110 GLU HB3 H 1 2.092 0.037 . 1 . . . . 199 GLU HB3 . 16616 1 1059 . 1 1 110 110 GLU HG2 H 1 2.381 0.02 . 1 . . . . 199 GLU HG2 . 16616 1 1060 . 1 1 110 110 GLU HG3 H 1 2.325 0.034 . 1 . . . . 199 GLU HG3 . 16616 1 1061 . 1 1 110 110 GLU CA C 13 60.484 0.474 . 1 . . . . 199 GLU CA . 16616 1 1062 . 1 1 110 110 GLU CB C 13 29.111 0.144 . 1 . . . . 199 GLU CB . 16616 1 1063 . 1 1 110 110 GLU CG C 13 37.075 0.19 . 1 . . . . 199 GLU CG . 16616 1 1064 . 1 1 110 110 GLU N N 15 119.593 0.074 . 1 . . . . 199 GLU N . 16616 1 1065 . 1 1 111 111 THR H H 1 7.916 0.022 . 1 . . . . 200 THR H . 16616 1 1066 . 1 1 111 111 THR HA H 1 3.786 0.036 . 1 . . . . 200 THR HA . 16616 1 1067 . 1 1 111 111 THR HB H 1 3.779 0.119 . 1 . . . . 200 THR HB . 16616 1 1068 . 1 1 111 111 THR HG21 H 1 0.624 0.019 . 1 . . . . 200 THR HG2 . 16616 1 1069 . 1 1 111 111 THR HG22 H 1 0.624 0.019 . 1 . . . . 200 THR HG2 . 16616 1 1070 . 1 1 111 111 THR HG23 H 1 0.624 0.019 . 1 . . . . 200 THR HG2 . 16616 1 1071 . 1 1 111 111 THR CA C 13 67.104 0.227 . 1 . . . . 200 THR CA . 16616 1 1072 . 1 1 111 111 THR CB C 13 69.052 0.245 . 1 . . . . 200 THR CB . 16616 1 1073 . 1 1 111 111 THR CG2 C 13 21.866 0.161 . 1 . . . . 200 THR CG2 . 16616 1 1074 . 1 1 111 111 THR N N 15 116.086 0.239 . 1 . . . . 200 THR N . 16616 1 1075 . 1 1 112 112 ASP H H 1 7.48 0.012 . 1 . . . . 201 ASP H . 16616 1 1076 . 1 1 112 112 ASP HA H 1 4.521 0.019 . 1 . . . . 201 ASP HA . 16616 1 1077 . 1 1 112 112 ASP HB2 H 1 3.383 0.015 . 1 . . . . 201 ASP HB2 . 16616 1 1078 . 1 1 112 112 ASP HB3 H 1 2.562 0.033 . 1 . . . . 201 ASP HB3 . 16616 1 1079 . 1 1 112 112 ASP CA C 13 58.991 0.322 . 1 . . . . 201 ASP CA . 16616 1 1080 . 1 1 112 112 ASP CB C 13 42.535 0.378 . 1 . . . . 201 ASP CB . 16616 1 1081 . 1 1 112 112 ASP N N 15 119.417 0.101 . 1 . . . . 201 ASP N . 16616 1 1082 . 1 1 113 113 ILE H H 1 8.071 0.031 . 1 . . . . 202 ILE H . 16616 1 1083 . 1 1 113 113 ILE HA H 1 3.426 0.021 . 1 . . . . 202 ILE HA . 16616 1 1084 . 1 1 113 113 ILE HB H 1 1.959 0.045 . 1 . . . . 202 ILE HB . 16616 1 1085 . 1 1 113 113 ILE HD11 H 1 0.716 0.018 . 1 . . . . 202 ILE HD1 . 16616 1 1086 . 1 1 113 113 ILE HD12 H 1 0.716 0.018 . 1 . . . . 202 ILE HD1 . 16616 1 1087 . 1 1 113 113 ILE HD13 H 1 0.716 0.018 . 1 . . . . 202 ILE HD1 . 16616 1 1088 . 1 1 113 113 ILE HG12 H 1 1.541 0.022 . 1 . . . . 202 ILE HG12 . 16616 1 1089 . 1 1 113 113 ILE HG13 H 1 1.3 0.044 . 1 . . . . 202 ILE HG13 . 16616 1 1090 . 1 1 113 113 ILE HG21 H 1 0.828 0.02 . 1 . . . . 202 ILE HG2 . 16616 1 1091 . 1 1 113 113 ILE HG22 H 1 0.828 0.02 . 1 . . . . 202 ILE HG2 . 16616 1 1092 . 1 1 113 113 ILE HG23 H 1 0.828 0.02 . 1 . . . . 202 ILE HG2 . 16616 1 1093 . 1 1 113 113 ILE CA C 13 65.089 0.133 . 1 . . . . 202 ILE CA . 16616 1 1094 . 1 1 113 113 ILE CB C 13 37.305 0.361 . 1 . . . . 202 ILE CB . 16616 1 1095 . 1 1 113 113 ILE CD1 C 13 12.25 0.025 . 1 . . . . 202 ILE CD1 . 16616 1 1096 . 1 1 113 113 ILE CG1 C 13 29.221 0.049 . 1 . . . . 202 ILE CG1 . 16616 1 1097 . 1 1 113 113 ILE CG2 C 13 18.165 0.015 . 1 . . . . 202 ILE CG2 . 16616 1 1098 . 1 1 113 113 ILE N N 15 118.859 0.118 . 1 . . . . 202 ILE N . 16616 1 1099 . 1 1 114 114 LYS H H 1 7.732 0.017 . 1 . . . . 203 LYS H . 16616 1 1100 . 1 1 114 114 LYS HA H 1 4.057 0.022 . 1 . . . . 203 LYS HA . 16616 1 1101 . 1 1 114 114 LYS HB2 H 1 1.889 0.04 . 1 . . . . 203 LYS HB2 . 16616 1 1102 . 1 1 114 114 LYS HB3 H 1 1.628 0.025 . 1 . . . . 203 LYS HB3 . 16616 1 1103 . 1 1 114 114 LYS HD2 H 1 1.638 0.001 . 1 . . . . 203 LYS HD2 . 16616 1 1104 . 1 1 114 114 LYS HD3 H 1 1.638 0.001 . 1 . . . . 203 LYS HD3 . 16616 1 1105 . 1 1 114 114 LYS HE2 H 1 2.905 0.012 . 1 . . . . 203 LYS HE2 . 16616 1 1106 . 1 1 114 114 LYS HE3 H 1 2.905 0.012 . 1 . . . . 203 LYS HE3 . 16616 1 1107 . 1 1 114 114 LYS HG2 H 1 1.583 0.039 . 1 . . . . 203 LYS HG2 . 16616 1 1108 . 1 1 114 114 LYS HG3 H 1 1.439 0.09 . 1 . . . . 203 LYS HG3 . 16616 1 1109 . 1 1 114 114 LYS CA C 13 59.536 0.509 . 1 . . . . 203 LYS CA . 16616 1 1110 . 1 1 114 114 LYS CB C 13 32.67 0.366 . 1 . . . . 203 LYS CB . 16616 1 1111 . 1 1 114 114 LYS CD C 13 29.697 0.001 . 1 . . . . 203 LYS CD . 16616 1 1112 . 1 1 114 114 LYS CG C 13 25.71 0.178 . 1 . . . . 203 LYS CG . 16616 1 1113 . 1 1 114 114 LYS N N 15 119.436 0.067 . 1 . . . . 203 LYS N . 16616 1 1114 . 1 1 115 115 ILE H H 1 7.987 0.013 . 1 . . . . 204 ILE H . 16616 1 1115 . 1 1 115 115 ILE HA H 1 3.606 0.031 . 1 . . . . 204 ILE HA . 16616 1 1116 . 1 1 115 115 ILE HB H 1 1.94 0.013 . 1 . . . . 204 ILE HB . 16616 1 1117 . 1 1 115 115 ILE HD11 H 1 0.646 0.038 . 1 . . . . 204 ILE HD1 . 16616 1 1118 . 1 1 115 115 ILE HD12 H 1 0.646 0.038 . 1 . . . . 204 ILE HD1 . 16616 1 1119 . 1 1 115 115 ILE HD13 H 1 0.646 0.038 . 1 . . . . 204 ILE HD1 . 16616 1 1120 . 1 1 115 115 ILE HG12 H 1 1.567 0.022 . 1 . . . . 204 ILE HG12 . 16616 1 1121 . 1 1 115 115 ILE HG13 H 1 0.786 0.031 . 1 . . . . 204 ILE HG13 . 16616 1 1122 . 1 1 115 115 ILE HG21 H 1 0.783 0.024 . 1 . . . . 204 ILE HG2 . 16616 1 1123 . 1 1 115 115 ILE HG22 H 1 0.783 0.024 . 1 . . . . 204 ILE HG2 . 16616 1 1124 . 1 1 115 115 ILE HG23 H 1 0.783 0.024 . 1 . . . . 204 ILE HG2 . 16616 1 1125 . 1 1 115 115 ILE CA C 13 65.321 0.175 . 1 . . . . 204 ILE CA . 16616 1 1126 . 1 1 115 115 ILE CB C 13 37.426 0.379 . 1 . . . . 204 ILE CB . 16616 1 1127 . 1 1 115 115 ILE CD1 C 13 14.437 0.013 . 1 . . . . 204 ILE CD1 . 16616 1 1128 . 1 1 115 115 ILE CG1 C 13 28.875 0.583 . 1 . . . . 204 ILE CG1 . 16616 1 1129 . 1 1 115 115 ILE CG2 C 13 19.373 0.308 . 1 . . . . 204 ILE CG2 . 16616 1 1130 . 1 1 115 115 ILE N N 15 119.816 0.08 . 1 . . . . 204 ILE N . 16616 1 1131 . 1 1 116 116 MET H H 1 8.817 0.043 . 1 . . . . 205 MET H . 16616 1 1132 . 1 1 116 116 MET HA H 1 3.435 0.026 . 1 . . . . 205 MET HA . 16616 1 1133 . 1 1 116 116 MET HB2 H 1 1.979 0.031 . 1 . . . . 205 MET HB2 . 16616 1 1134 . 1 1 116 116 MET HB3 H 1 1.677 0.019 . 1 . . . . 205 MET HB3 . 16616 1 1135 . 1 1 116 116 MET HE1 H 1 1.483 0.032 . 1 . . . . 205 MET HE . 16616 1 1136 . 1 1 116 116 MET HE2 H 1 1.483 0.032 . 1 . . . . 205 MET HE . 16616 1 1137 . 1 1 116 116 MET HE3 H 1 1.483 0.032 . 1 . . . . 205 MET HE . 16616 1 1138 . 1 1 116 116 MET HG2 H 1 2.058 0.015 . 1 . . . . 205 MET HG2 . 16616 1 1139 . 1 1 116 116 MET HG3 H 1 1.995 0.008 . 1 . . . . 205 MET HG3 . 16616 1 1140 . 1 1 116 116 MET CA C 13 60.665 0.39 . 1 . . . . 205 MET CA . 16616 1 1141 . 1 1 116 116 MET CB C 13 33.928 0.696 . 1 . . . . 205 MET CB . 16616 1 1142 . 1 1 116 116 MET CE C 13 16.966 0.025 . 1 . . . . 205 MET CE . 16616 1 1143 . 1 1 116 116 MET CG C 13 33.028 0.275 . 1 . . . . 205 MET CG . 16616 1 1144 . 1 1 116 116 MET N N 15 119.123 0.09 . 1 . . . . 205 MET N . 16616 1 1145 . 1 1 117 117 GLU H H 1 8.495 0.019 . 1 . . . . 206 GLU H . 16616 1 1146 . 1 1 117 117 GLU HA H 1 3.632 0.035 . 1 . . . . 206 GLU HA . 16616 1 1147 . 1 1 117 117 GLU HB2 H 1 2.198 0.034 . 1 . . . . 206 GLU HB2 . 16616 1 1148 . 1 1 117 117 GLU HB3 H 1 1.955 0.033 . 1 . . . . 206 GLU HB3 . 16616 1 1149 . 1 1 117 117 GLU HG2 H 1 2.543 0.043 . 1 . . . . 206 GLU HG2 . 16616 1 1150 . 1 1 117 117 GLU HG3 H 1 2.112 0.051 . 1 . . . . 206 GLU HG3 . 16616 1 1151 . 1 1 117 117 GLU CA C 13 61.2 0.529 . 1 . . . . 206 GLU CA . 16616 1 1152 . 1 1 117 117 GLU CB C 13 28.575 0.036 . 1 . . . . 206 GLU CB . 16616 1 1153 . 1 1 117 117 GLU CG C 13 37.674 0.092 . 1 . . . . 206 GLU CG . 16616 1 1154 . 1 1 117 117 GLU N N 15 116.879 0.126 . 1 . . . . 206 GLU N . 16616 1 1155 . 1 1 118 118 ARG H H 1 7.212 0.019 . 1 . . . . 207 ARG H . 16616 1 1156 . 1 1 118 118 ARG HA H 1 4.129 0.041 . 1 . . . . 207 ARG HA . 16616 1 1157 . 1 1 118 118 ARG HB2 H 1 1.971 0.052 . 1 . . . . 207 ARG HB2 . 16616 1 1158 . 1 1 118 118 ARG HB3 H 1 1.937 0.024 . 1 . . . . 207 ARG HB3 . 16616 1 1159 . 1 1 118 118 ARG HD2 H 1 3.225 0.009 . 1 . . . . 207 ARG HD2 . 16616 1 1160 . 1 1 118 118 ARG HD3 H 1 3.171 0.012 . 1 . . . . 207 ARG HD3 . 16616 1 1161 . 1 1 118 118 ARG HE H 1 7.304 0.008 . 1 . . . . 207 ARG HE . 16616 1 1162 . 1 1 118 118 ARG HG2 H 1 1.779 0.023 . 1 . . . . 207 ARG HG2 . 16616 1 1163 . 1 1 118 118 ARG CA C 13 59.236 0.446 . 1 . . . . 207 ARG CA . 16616 1 1164 . 1 1 118 118 ARG CB C 13 30.221 0.141 . 1 . . . . 207 ARG CB . 16616 1 1165 . 1 1 118 118 ARG CD C 13 44.264 0.001 . 1 . . . . 207 ARG CD . 16616 1 1166 . 1 1 118 118 ARG CG C 13 28.512 0.052 . 1 . . . . 207 ARG CG . 16616 1 1167 . 1 1 118 118 ARG N N 15 117.96 0.174 . 1 . . . . 207 ARG N . 16616 1 1168 . 1 1 118 118 ARG NE N 15 84.248 0.13 . 1 . . . . 207 ARG NE . 16616 1 1169 . 1 1 119 119 VAL H H 1 8.25 0.029 . 1 . . . . 208 VAL H . 16616 1 1170 . 1 1 119 119 VAL HA H 1 3.515 0.03 . 1 . . . . 208 VAL HA . 16616 1 1171 . 1 1 119 119 VAL HB H 1 2.051 0.049 . 1 . . . . 208 VAL HB . 16616 1 1172 . 1 1 119 119 VAL HG11 H 1 1.094 0.024 . 1 . . . . 208 VAL HG1 . 16616 1 1173 . 1 1 119 119 VAL HG12 H 1 1.094 0.024 . 1 . . . . 208 VAL HG1 . 16616 1 1174 . 1 1 119 119 VAL HG13 H 1 1.094 0.024 . 1 . . . . 208 VAL HG1 . 16616 1 1175 . 1 1 119 119 VAL HG21 H 1 1.038 0.034 . 1 . . . . 208 VAL HG2 . 16616 1 1176 . 1 1 119 119 VAL HG22 H 1 1.038 0.034 . 1 . . . . 208 VAL HG2 . 16616 1 1177 . 1 1 119 119 VAL HG23 H 1 1.038 0.034 . 1 . . . . 208 VAL HG2 . 16616 1 1178 . 1 1 119 119 VAL CA C 13 66.808 0.214 . 1 . . . . 208 VAL CA . 16616 1 1179 . 1 1 119 119 VAL CB C 13 32.755 0.307 . 1 . . . . 208 VAL CB . 16616 1 1180 . 1 1 119 119 VAL CG1 C 13 22.24 0.046 . 1 . . . . 208 VAL CG1 . 16616 1 1181 . 1 1 119 119 VAL CG2 C 13 24.104 0.001 . 1 . . . . 208 VAL CG2 . 16616 1 1182 . 1 1 119 119 VAL N N 15 120.148 0.045 . 1 . . . . 208 VAL N . 16616 1 1183 . 1 1 120 120 VAL H H 1 8.96 0.02 . 1 . . . . 209 VAL H . 16616 1 1184 . 1 1 120 120 VAL HA H 1 3.632 0.041 . 1 . . . . 209 VAL HA . 16616 1 1185 . 1 1 120 120 VAL HB H 1 2.159 0.034 . 1 . . . . 209 VAL HB . 16616 1 1186 . 1 1 120 120 VAL HG11 H 1 0.946 0.048 . 1 . . . . 209 VAL HG1 . 16616 1 1187 . 1 1 120 120 VAL HG12 H 1 0.946 0.048 . 1 . . . . 209 VAL HG1 . 16616 1 1188 . 1 1 120 120 VAL HG13 H 1 0.946 0.048 . 1 . . . . 209 VAL HG1 . 16616 1 1189 . 1 1 120 120 VAL HG21 H 1 1.218 0.022 . 1 . . . . 209 VAL HG2 . 16616 1 1190 . 1 1 120 120 VAL HG22 H 1 1.218 0.022 . 1 . . . . 209 VAL HG2 . 16616 1 1191 . 1 1 120 120 VAL HG23 H 1 1.218 0.022 . 1 . . . . 209 VAL HG2 . 16616 1 1192 . 1 1 120 120 VAL CA C 13 66.639 0.264 . 1 . . . . 209 VAL CA . 16616 1 1193 . 1 1 120 120 VAL CB C 13 31.611 0.613 . 1 . . . . 209 VAL CB . 16616 1 1194 . 1 1 120 120 VAL CG1 C 13 24.448 0.22 . 1 . . . . 209 VAL CG1 . 16616 1 1195 . 1 1 120 120 VAL CG2 C 13 25.511 0.115 . 1 . . . . 209 VAL CG2 . 16616 1 1196 . 1 1 120 120 VAL N N 15 118.947 0.235 . 1 . . . . 209 VAL N . 16616 1 1197 . 1 1 121 121 GLU H H 1 8.147 0.041 . 1 . . . . 210 GLU H . 16616 1 1198 . 1 1 121 121 GLU HA H 1 3.605 0.043 . 1 . . . . 210 GLU HA . 16616 1 1199 . 1 1 121 121 GLU HB2 H 1 2.158 0.03 . 1 . . . . 210 GLU HB2 . 16616 1 1200 . 1 1 121 121 GLU HG2 H 1 2.166 0.015 . 1 . . . . 210 GLU HG2 . 16616 1 1201 . 1 1 121 121 GLU HG3 H 1 2.381 0.045 . 1 . . . . 210 GLU HG3 . 16616 1 1202 . 1 1 121 121 GLU CA C 13 61.383 0.438 . 1 . . . . 210 GLU CA . 16616 1 1203 . 1 1 121 121 GLU CB C 13 29.302 0.427 . 1 . . . . 210 GLU CB . 16616 1 1204 . 1 1 121 121 GLU CG C 13 36.891 0.001 . 1 . . . . 210 GLU CG . 16616 1 1205 . 1 1 121 121 GLU N N 15 121.042 0.2 . 1 . . . . 210 GLU N . 16616 1 1206 . 1 1 122 122 GLN H H 1 7.211 0.011 . 1 . . . . 211 GLN H . 16616 1 1207 . 1 1 122 122 GLN HA H 1 3.978 0.054 . 1 . . . . 211 GLN HA . 16616 1 1208 . 1 1 122 122 GLN HB2 H 1 2.142 0.026 . 1 . . . . 211 GLN HB2 . 16616 1 1209 . 1 1 122 122 GLN HB3 H 1 2.142 0.027 . 1 . . . . 211 GLN HB3 . 16616 1 1210 . 1 1 122 122 GLN HE22 H 1 6.967 0.016 . 1 . . . . 211 GLN HE22 . 16616 1 1211 . 1 1 122 122 GLN HG2 H 1 2.449 0.054 . 1 . . . . 211 GLN HG2 . 16616 1 1212 . 1 1 122 122 GLN HG3 H 1 2.38 0.029 . 1 . . . . 211 GLN HG3 . 16616 1 1213 . 1 1 122 122 GLN CA C 13 59.5 0.346 . 1 . . . . 211 GLN CA . 16616 1 1214 . 1 1 122 122 GLN CB C 13 28.138 0.42 . 1 . . . . 211 GLN CB . 16616 1 1215 . 1 1 122 122 GLN CG C 13 34.509 0.088 . 1 . . . . 211 GLN CG . 16616 1 1216 . 1 1 122 122 GLN N N 15 115.226 0.19 . 1 . . . . 211 GLN N . 16616 1 1217 . 1 1 123 123 MET H H 1 7.993 0.011 . 1 . . . . 212 MET H . 16616 1 1218 . 1 1 123 123 MET HA H 1 4.121 0.045 . 1 . . . . 212 MET HA . 16616 1 1219 . 1 1 123 123 MET HB2 H 1 2.186 0.018 . 1 . . . . 212 MET HB2 . 16616 1 1220 . 1 1 123 123 MET HB3 H 1 2.333 0.039 . 1 . . . . 212 MET HB3 . 16616 1 1221 . 1 1 123 123 MET HE1 H 1 2.153 0.034 . 1 . . . . 212 MET HE . 16616 1 1222 . 1 1 123 123 MET HE2 H 1 2.153 0.034 . 1 . . . . 212 MET HE . 16616 1 1223 . 1 1 123 123 MET HE3 H 1 2.153 0.034 . 1 . . . . 212 MET HE . 16616 1 1224 . 1 1 123 123 MET HG2 H 1 2.752 0.045 . 1 . . . . 212 MET HG2 . 16616 1 1225 . 1 1 123 123 MET HG3 H 1 2.502 0.044 . 1 . . . . 212 MET HG3 . 16616 1 1226 . 1 1 123 123 MET CA C 13 60.637 0.372 . 1 . . . . 212 MET CA . 16616 1 1227 . 1 1 123 123 MET CB C 13 35.573 1.468 . 1 . . . . 212 MET CB . 16616 1 1228 . 1 1 123 123 MET CE C 13 18.505 0.004 . 1 . . . . 212 MET CE . 16616 1 1229 . 1 1 123 123 MET CG C 13 33.12 0.224 . 1 . . . . 212 MET CG . 16616 1 1230 . 1 1 123 123 MET N N 15 119.419 0.162 . 1 . . . . 212 MET N . 16616 1 1231 . 1 1 124 124 CYS H H 1 9.22 0.044 . 1 . . . . 213 CYS H . 16616 1 1232 . 1 1 124 124 CYS HA H 1 4.357 0.032 . 1 . . . . 213 CYS HA . 16616 1 1233 . 1 1 124 124 CYS HB2 H 1 3.551 0.037 . 1 . . . . 213 CYS HB2 . 16616 1 1234 . 1 1 124 124 CYS HB3 H 1 2.857 0.032 . 1 . . . . 213 CYS HB3 . 16616 1 1235 . 1 1 124 124 CYS CA C 13 60.785 0.399 . 1 . . . . 213 CYS CA . 16616 1 1236 . 1 1 124 124 CYS CB C 13 42.502 0.411 . 1 . . . . 213 CYS CB . 16616 1 1237 . 1 1 124 124 CYS N N 15 119.073 0.243 . 1 . . . . 213 CYS N . 16616 1 1238 . 1 1 125 125 VAL H H 1 8.371 0.02 . 1 . . . . 214 VAL H . 16616 1 1239 . 1 1 125 125 VAL HA H 1 3.409 0.033 . 1 . . . . 214 VAL HA . 16616 1 1240 . 1 1 125 125 VAL HB H 1 1.945 0.001 . 1 . . . . 214 VAL HB . 16616 1 1241 . 1 1 125 125 VAL HG11 H 1 0.929 0.015 . 1 . . . . 214 VAL HG1 . 16616 1 1242 . 1 1 125 125 VAL HG12 H 1 0.929 0.015 . 1 . . . . 214 VAL HG1 . 16616 1 1243 . 1 1 125 125 VAL HG13 H 1 0.929 0.015 . 1 . . . . 214 VAL HG1 . 16616 1 1244 . 1 1 125 125 VAL CA C 13 67.802 0.024 . 1 . . . . 214 VAL CA . 16616 1 1245 . 1 1 125 125 VAL CB C 13 31.659 0.035 . 1 . . . . 214 VAL CB . 16616 1 1246 . 1 1 125 125 VAL CG1 C 13 22.184 0.089 . 1 . . . . 214 VAL CG1 . 16616 1 1247 . 1 1 125 125 VAL N N 15 123.541 0.201 . 1 . . . . 214 VAL N . 16616 1 1248 . 1 1 126 126 THR H H 1 8.079 0.019 . 1 . . . . 215 THR H . 16616 1 1249 . 1 1 126 126 THR HA H 1 3.879 0.012 . 1 . . . . 215 THR HA . 16616 1 1250 . 1 1 126 126 THR HB H 1 4.304 0.016 . 1 . . . . 215 THR HB . 16616 1 1251 . 1 1 126 126 THR HG21 H 1 1.227 0.02 . 1 . . . . 215 THR HG2 . 16616 1 1252 . 1 1 126 126 THR HG22 H 1 1.227 0.02 . 1 . . . . 215 THR HG2 . 16616 1 1253 . 1 1 126 126 THR HG23 H 1 1.227 0.02 . 1 . . . . 215 THR HG2 . 16616 1 1254 . 1 1 126 126 THR CA C 13 67.576 0.303 . 1 . . . . 215 THR CA . 16616 1 1255 . 1 1 126 126 THR CB C 13 69.238 0.484 . 1 . . . . 215 THR CB . 16616 1 1256 . 1 1 126 126 THR CG2 C 13 22.849 0.101 . 1 . . . . 215 THR CG2 . 16616 1 1257 . 1 1 126 126 THR N N 15 118.036 0.119 . 1 . . . . 215 THR N . 16616 1 1258 . 1 1 127 127 GLN H H 1 8.755 0.02 . 1 . . . . 216 GLN H . 16616 1 1259 . 1 1 127 127 GLN HA H 1 3.673 0.053 . 1 . . . . 216 GLN HA . 16616 1 1260 . 1 1 127 127 GLN HB2 H 1 2.351 0.037 . 1 . . . . 216 GLN HB2 . 16616 1 1261 . 1 1 127 127 GLN HG2 H 1 1.659 0.031 . 1 . . . . 216 GLN HG2 . 16616 1 1262 . 1 1 127 127 GLN CA C 13 59.393 0.367 . 1 . . . . 216 GLN CA . 16616 1 1263 . 1 1 127 127 GLN CB C 13 28.699 0.279 . 1 . . . . 216 GLN CB . 16616 1 1264 . 1 1 127 127 GLN N N 15 122.557 0.106 . 1 . . . . 216 GLN N . 16616 1 1265 . 1 1 128 128 TYR H H 1 8.488 0.014 . 1 . . . . 217 TYR H . 16616 1 1266 . 1 1 128 128 TYR HA H 1 2.918 0.049 . 1 . . . . 217 TYR HA . 16616 1 1267 . 1 1 128 128 TYR HB2 H 1 2.541 0.043 . 1 . . . . 217 TYR HB2 . 16616 1 1268 . 1 1 128 128 TYR HB3 H 1 2.088 0.027 . 1 . . . . 217 TYR HB3 . 16616 1 1269 . 1 1 128 128 TYR HD1 H 1 6.157 0.01 . 3 . . . . 217 TYR HD1 . 16616 1 1270 . 1 1 128 128 TYR HE1 H 1 7.111 0.002 . 1 . . . . 217 TYR HE1 . 16616 1 1271 . 1 1 128 128 TYR HE2 H 1 8.284 0.001 . 1 . . . . 217 TYR HE2 . 16616 1 1272 . 1 1 128 128 TYR CA C 13 62.581 0.423 . 1 . . . . 217 TYR CA . 16616 1 1273 . 1 1 128 128 TYR CB C 13 37.638 0.145 . 1 . . . . 217 TYR CB . 16616 1 1274 . 1 1 128 128 TYR N N 15 119.841 0.141 . 1 . . . . 217 TYR N . 16616 1 1275 . 1 1 129 129 GLN H H 1 8.363 0.028 . 1 . . . . 218 GLN H . 16616 1 1276 . 1 1 129 129 GLN HA H 1 3.75 0.027 . 1 . . . . 218 GLN HA . 16616 1 1277 . 1 1 129 129 GLN HB2 H 1 2.321 0.011 . 1 . . . . 218 GLN HB2 . 16616 1 1278 . 1 1 129 129 GLN HB3 H 1 2.095 0.036 . 1 . . . . 218 GLN HB3 . 16616 1 1279 . 1 1 129 129 GLN HG2 H 1 2.715 0.013 . 1 . . . . 218 GLN HG2 . 16616 1 1280 . 1 1 129 129 GLN HG3 H 1 2.483 0.025 . 1 . . . . 218 GLN HG3 . 16616 1 1281 . 1 1 129 129 GLN CA C 13 59.656 0.324 . 1 . . . . 218 GLN CA . 16616 1 1282 . 1 1 129 129 GLN CB C 13 28.17 0.265 . 1 . . . . 218 GLN CB . 16616 1 1283 . 1 1 129 129 GLN CG C 13 34.188 0.332 . 1 . . . . 218 GLN CG . 16616 1 1284 . 1 1 129 129 GLN N N 15 120.218 0.142 . 1 . . . . 218 GLN N . 16616 1 1285 . 1 1 130 130 GLN H H 1 8.241 0.013 . 1 . . . . 219 GLN H . 16616 1 1286 . 1 1 130 130 GLN HA H 1 3.973 0.039 . 1 . . . . 219 GLN HA . 16616 1 1287 . 1 1 130 130 GLN HB2 H 1 2.111 0.023 . 1 . . . . 219 GLN HB2 . 16616 1 1288 . 1 1 130 130 GLN HG2 H 1 2.357 0.03 . 1 . . . . 219 GLN HG2 . 16616 1 1289 . 1 1 130 130 GLN HG3 H 1 2.491 0.012 . 1 . . . . 219 GLN HG3 . 16616 1 1290 . 1 1 130 130 GLN CA C 13 59.43 0.336 . 1 . . . . 219 GLN CA . 16616 1 1291 . 1 1 130 130 GLN CB C 13 28.536 0.07 . 1 . . . . 219 GLN CB . 16616 1 1292 . 1 1 130 130 GLN CG C 13 34.598 0.115 . 1 . . . . 219 GLN CG . 16616 1 1293 . 1 1 130 130 GLN N N 15 118.856 0.21 . 1 . . . . 219 GLN N . 16616 1 1294 . 1 1 131 131 GLU H H 1 8.494 0.014 . 1 . . . . 220 GLU H . 16616 1 1295 . 1 1 131 131 GLU HA H 1 4.07 0.01 . 1 . . . . 220 GLU HA . 16616 1 1296 . 1 1 131 131 GLU HB2 H 1 2.138 0.016 . 1 . . . . 220 GLU HB2 . 16616 1 1297 . 1 1 131 131 GLU HB3 H 1 1.881 0.018 . 1 . . . . 220 GLU HB3 . 16616 1 1298 . 1 1 131 131 GLU HG2 H 1 2.155 0.022 . 1 . . . . 220 GLU HG2 . 16616 1 1299 . 1 1 131 131 GLU HG3 H 1 2.407 0.025 . 1 . . . . 220 GLU HG3 . 16616 1 1300 . 1 1 131 131 GLU CA C 13 58.846 0.264 . 1 . . . . 220 GLU CA . 16616 1 1301 . 1 1 131 131 GLU CB C 13 30.589 0.53 . 1 . . . . 220 GLU CB . 16616 1 1302 . 1 1 131 131 GLU CG C 13 37.274 0.225 . 1 . . . . 220 GLU CG . 16616 1 1303 . 1 1 131 131 GLU N N 15 118.677 0.083 . 1 . . . . 220 GLU N . 16616 1 1304 . 1 1 132 132 SER H H 1 8.428 0.018 . 1 . . . . 221 SER H . 16616 1 1305 . 1 1 132 132 SER HA H 1 3.986 0.052 . 1 . . . . 221 SER HA . 16616 1 1306 . 1 1 132 132 SER HB2 H 1 3.572 0.019 . 1 . . . . 221 SER HB2 . 16616 1 1307 . 1 1 132 132 SER HB3 H 1 3.366 0.017 . 1 . . . . 221 SER HB3 . 16616 1 1308 . 1 1 132 132 SER CA C 13 62.45 0.001 . 1 . . . . 221 SER CA . 16616 1 1309 . 1 1 132 132 SER CB C 13 63.12 0.037 . 1 . . . . 221 SER CB . 16616 1 1310 . 1 1 132 132 SER N N 15 116.78 0.001 . 1 . . . . 221 SER N . 16616 1 1311 . 1 1 133 133 GLN H H 1 7.827 0.019 . 1 . . . . 222 GLN H . 16616 1 1312 . 1 1 133 133 GLN HA H 1 4.17 0.012 . 1 . . . . 222 GLN HA . 16616 1 1313 . 1 1 133 133 GLN HB2 H 1 2.144 0.017 . 1 . . . . 222 GLN HB2 . 16616 1 1314 . 1 1 133 133 GLN HE22 H 1 6.793 0.006 . 1 . . . . 222 GLN HE22 . 16616 1 1315 . 1 1 133 133 GLN HG2 H 1 2.478 0.013 . 1 . . . . 222 GLN HG2 . 16616 1 1316 . 1 1 133 133 GLN HG3 H 1 2.411 0.028 . 1 . . . . 222 GLN HG3 . 16616 1 1317 . 1 1 133 133 GLN CA C 13 59.231 0.259 . 1 . . . . 222 GLN CA . 16616 1 1318 . 1 1 133 133 GLN CB C 13 28.629 0.211 . 1 . . . . 222 GLN CB . 16616 1 1319 . 1 1 133 133 GLN CG C 13 34.526 0.066 . 1 . . . . 222 GLN CG . 16616 1 1320 . 1 1 133 133 GLN N N 15 122.359 0.028 . 1 . . . . 222 GLN N . 16616 1 1321 . 1 1 134 134 ALA H H 1 7.852 0.035 . 1 . . . . 223 ALA H . 16616 1 1322 . 1 1 134 134 ALA HA H 1 4.164 0.041 . 1 . . . . 223 ALA HA . 16616 1 1323 . 1 1 134 134 ALA HB1 H 1 1.53 0.069 . 1 . . . . 223 ALA HB . 16616 1 1324 . 1 1 134 134 ALA HB2 H 1 1.53 0.069 . 1 . . . . 223 ALA HB . 16616 1 1325 . 1 1 134 134 ALA HB3 H 1 1.53 0.069 . 1 . . . . 223 ALA HB . 16616 1 1326 . 1 1 134 134 ALA CA C 13 55.652 0.073 . 1 . . . . 223 ALA CA . 16616 1 1327 . 1 1 134 134 ALA N N 15 122.275 0.036 . 1 . . . . 223 ALA N . 16616 1 1328 . 1 1 135 135 ALA H H 1 8.004 0.01 . 1 . . . . 224 ALA H . 16616 1 1329 . 1 1 135 135 ALA HA H 1 4.089 0.036 . 1 . . . . 224 ALA HA . 16616 1 1330 . 1 1 135 135 ALA HB1 H 1 1.442 0.023 . 1 . . . . 224 ALA HB . 16616 1 1331 . 1 1 135 135 ALA HB2 H 1 1.442 0.023 . 1 . . . . 224 ALA HB . 16616 1 1332 . 1 1 135 135 ALA HB3 H 1 1.442 0.023 . 1 . . . . 224 ALA HB . 16616 1 1333 . 1 1 135 135 ALA CA C 13 55.444 0.386 . 1 . . . . 224 ALA CA . 16616 1 1334 . 1 1 135 135 ALA CB C 13 18.853 0.058 . 1 . . . . 224 ALA CB . 16616 1 1335 . 1 1 135 135 ALA N N 15 120.71 0.047 . 1 . . . . 224 ALA N . 16616 1 1336 . 1 1 136 136 TYR H H 1 7.973 0.004 . 1 . . . . 225 TYR H . 16616 1 1337 . 1 1 136 136 TYR HA H 1 4.293 0.042 . 1 . . . . 225 TYR HA . 16616 1 1338 . 1 1 136 136 TYR HB2 H 1 3.177 0.01 . 1 . . . . 225 TYR HB2 . 16616 1 1339 . 1 1 136 136 TYR HB3 H 1 3.163 0.011 . 1 . . . . 225 TYR HB3 . 16616 1 1340 . 1 1 136 136 TYR HD1 H 1 7.11 0.006 . 3 . . . . 225 TYR HD1 . 16616 1 1341 . 1 1 136 136 TYR CA C 13 61.007 0.388 . 1 . . . . 225 TYR CA . 16616 1 1342 . 1 1 136 136 TYR CB C 13 38.45 0.331 . 1 . . . . 225 TYR CB . 16616 1 1343 . 1 1 136 136 TYR N N 15 120.584 0.054 . 1 . . . . 225 TYR N . 16616 1 1344 . 1 1 137 137 GLN H H 1 8.101 0.034 . 1 . . . . 226 GLN H . 16616 1 1345 . 1 1 137 137 GLN HA H 1 3.9 0.007 . 1 . . . . 226 GLN HA . 16616 1 1346 . 1 1 137 137 GLN HB2 H 1 2.167 0.022 . 1 . . . . 226 GLN HB2 . 16616 1 1347 . 1 1 137 137 GLN HB3 H 1 2.167 0.022 . 1 . . . . 226 GLN HB3 . 16616 1 1348 . 1 1 137 137 GLN HG2 H 1 2.486 0.031 . 1 . . . . 226 GLN HG2 . 16616 1 1349 . 1 1 137 137 GLN CA C 13 58.769 0.324 . 1 . . . . 226 GLN CA . 16616 1 1350 . 1 1 137 137 GLN CB C 13 28.416 0.298 . 1 . . . . 226 GLN CB . 16616 1 1351 . 1 1 137 137 GLN CG C 13 34.468 0.055 . 1 . . . . 226 GLN CG . 16616 1 1352 . 1 1 137 137 GLN N N 15 118.295 0.167 . 1 . . . . 226 GLN N . 16616 1 1353 . 1 1 138 138 ARG H H 1 8.065 0.027 . 1 . . . . 227 ARG H . 16616 1 1354 . 1 1 138 138 ARG HA H 1 4.093 0.044 . 1 . . . . 227 ARG HA . 16616 1 1355 . 1 1 138 138 ARG HB2 H 1 1.962 0.008 . 1 . . . . 227 ARG HB2 . 16616 1 1356 . 1 1 138 138 ARG HB3 H 1 1.894 0.051 . 1 . . . . 227 ARG HB3 . 16616 1 1357 . 1 1 138 138 ARG HD2 H 1 3.26 0.045 . 1 . . . . 227 ARG HD2 . 16616 1 1358 . 1 1 138 138 ARG HD3 H 1 3.125 0.008 . 1 . . . . 227 ARG HD3 . 16616 1 1359 . 1 1 138 138 ARG HE H 1 7.321 0.012 . 1 . . . . 227 ARG HE . 16616 1 1360 . 1 1 138 138 ARG HG2 H 1 1.576 0.061 . 1 . . . . 227 ARG HG2 . 16616 1 1361 . 1 1 138 138 ARG HG3 H 1 1.8 0.057 . 1 . . . . 227 ARG HG3 . 16616 1 1362 . 1 1 138 138 ARG CA C 13 59.29 0.31 . 1 . . . . 227 ARG CA . 16616 1 1363 . 1 1 138 138 ARG CB C 13 30.541 0.031 . 1 . . . . 227 ARG CB . 16616 1 1364 . 1 1 138 138 ARG CD C 13 44.085 0.243 . 1 . . . . 227 ARG CD . 16616 1 1365 . 1 1 138 138 ARG CG C 13 28.637 0.032 . 1 . . . . 227 ARG CG . 16616 1 1366 . 1 1 138 138 ARG N N 15 118.874 0.105 . 1 . . . . 227 ARG N . 16616 1 1367 . 1 1 138 138 ARG NE N 15 84.612 0.177 . 1 . . . . 227 ARG NE . 16616 1 1368 . 1 1 139 139 ALA H H 1 7.736 0.003 . 1 . . . . 228 ALA H . 16616 1 1369 . 1 1 139 139 ALA HA H 1 4.152 0.007 . 1 . . . . 228 ALA HA . 16616 1 1370 . 1 1 139 139 ALA HB1 H 1 1.478 0.02 . 1 . . . . 228 ALA HB . 16616 1 1371 . 1 1 139 139 ALA HB2 H 1 1.478 0.02 . 1 . . . . 228 ALA HB . 16616 1 1372 . 1 1 139 139 ALA HB3 H 1 1.478 0.02 . 1 . . . . 228 ALA HB . 16616 1 1373 . 1 1 139 139 ALA CA C 13 54.648 0.309 . 1 . . . . 228 ALA CA . 16616 1 1374 . 1 1 139 139 ALA CB C 13 18.886 0.014 . 1 . . . . 228 ALA CB . 16616 1 1375 . 1 1 139 139 ALA N N 15 122.023 0.027 . 1 . . . . 228 ALA N . 16616 1 stop_ save_