data_6953 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6953 _Entry.Title ; NMR solution of rabbit Prion Protein (91-228) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-27 _Entry.Accession_date 2006-01-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Li . . . 6953 2 D. Lin . H. . 6953 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6953 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 6953 '15N chemical shifts' 156 6953 '1H chemical shifts' 927 6953 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 . . 2007-09-24 . original author 'original release' 6953 1 . . 2007-10-15 . update author 'complete the chemical shift reference' 6953 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6953 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17415669 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of rabbit prion protein (91-228)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 181 _Citation.Page_last 181 _Citation.Year 2007 _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 J. Li . . . 6953 1 2 F. Mei . H. . 6953 1 3 G. Xiao . F. . 6953 1 4 D. Lin . H. . 6953 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane protein' 6953 1 'prion protein' 6953 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6953 _Assembly.ID 1 _Assembly.Name 'Major prion protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6953 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Major prion protein' 1 $entity . . . native . . . . . 6953 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 88 88 SG . 1 . 1 CYS 123 123 SG . . . . . . . . . . 6953 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 . PDB 2FJ3 . . . . . . 6953 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Major prion protein' abbreviation 6953 1 'Major prion protein' system 6953 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 6953 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Major prion protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGGTHNQWGKPSKPKTSMKH VAGAAAAGAVVGGLGGYMLG SAMSRPLIHFGNDYEDRYYR ENMYRYPNQVYYRPVDQYSN QNSFVHDCVNITVKQHTVTT TTKGENFTETDIKIMERVVE QMCITQYQQESQAAYQRA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15394 . "rpp mutation S173N" . . . . . 100.00 138 98.55 99.28 8.29e-97 . . . . 6953 1 2 no BMRB 15399 . "rpp I214V" . . . . . 100.00 138 99.28 100.00 1.77e-98 . . . . 6953 1 3 no BMRB 16328 . prion_protein . . . . . 100.00 145 99.28 100.00 6.60e-98 . . . . 6953 1 4 no BMRB 16616 . prion . . . . . 100.00 145 99.28 100.00 2.12e-98 . . . . 6953 1 5 no BMRB 7142 . "prion protein" . . . . . 100.00 138 100.00 100.00 9.39e-99 . . . . 6953 1 6 no PDB 1TPX . "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 85.51 121 97.46 99.15 1.82e-79 . . . . 6953 1 7 no PDB 1TQB . "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 73.19 102 97.03 99.01 6.15e-67 . . . . 6953 1 8 no PDB 1TQC . "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" . . . . . 73.19 102 97.03 100.00 5.34e-67 . . . . 6953 1 9 no PDB 2FJ3 . "Nmr Solution Of Rabbit Prion Protein (91-228)" . . . . . 100.00 138 100.00 100.00 9.39e-99 . . . . 6953 1 10 no PDB 2JOH . "Nmr Structure Of Rabbit Prion Protein Mutation S173n" . . . . . 100.00 148 99.28 100.00 4.18e-98 . . . . 6953 1 11 no PDB 2JOM . "Nmr Structure Of Rabbit Prion Protein Mutation I214v" . . . . . 100.00 148 99.28 100.00 1.90e-98 . . . . 6953 1 12 no PDB 3O79 . "Crystal Structure Of Wild-Type Rabbit Prp 126-230" . . . . . 75.36 105 100.00 100.00 3.07e-71 . . . . 6953 1 13 no PDB 4HLS . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" . . . . . 79.71 132 99.09 100.00 1.01e-74 . . . . 6953 1 14 no PDB 4HMM . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" . . . . . 79.71 132 99.09 100.00 1.01e-74 . . . . 6953 1 15 no PDB 4HMR . "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" . . . . . 79.71 132 98.18 100.00 4.13e-74 . . . . 6953 1 16 no EMBL CBK44083 . "prnp [Sciurus lis]" . . . . . 93.48 180 96.90 100.00 1.63e-88 . . . . 6953 1 17 no GB AAC48697 . "major prion protein [Oryctolagus cuniculus]" . . . . . 100.00 252 100.00 100.00 8.37e-97 . . . . 6953 1 18 no GB AAD01554 . "prion protein [Oryctolagus cuniculus]" . . . . . 99.28 254 100.00 100.00 5.00e-96 . . . . 6953 1 19 no GB ABL75505 . "prion protein, partial [Oryctolagus cuniculus]" . . . . . 100.00 244 100.00 100.00 8.82e-97 . . . . 6953 1 20 no GB AEM44421 . "prion protein [Ovis aries]" . . . . . 70.29 97 97.94 98.97 8.44e-64 . . . . 6953 1 21 no GB AEM44422 . "prion protein [Ovis aries]" . . . . . 70.29 97 97.94 98.97 1.81e-63 . . . . 6953 1 22 no REF NP_001075490 . "major prion protein precursor [Oryctolagus cuniculus]" . . . . . 99.28 254 100.00 100.00 5.00e-96 . . . . 6953 1 23 no REF XP_008254357 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 100.00 252 100.00 100.00 8.37e-97 . . . . 6953 1 24 no REF XP_008254358 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 100.00 252 100.00 100.00 8.37e-97 . . . . 6953 1 25 no SP Q95211 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 252 100.00 100.00 8.37e-97 . . . . 6953 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Major prion protein' abbreviation 6953 1 'Major prion protein' common 6953 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 91 GLN . 6953 1 2 92 GLY . 6953 1 3 93 GLY . 6953 1 4 94 THR . 6953 1 5 95 HIS . 6953 1 6 96 ASN . 6953 1 7 97 GLN . 6953 1 8 98 TRP . 6953 1 9 99 GLY . 6953 1 10 100 LYS . 6953 1 11 101 PRO . 6953 1 12 102 SER . 6953 1 13 103 LYS . 6953 1 14 104 PRO . 6953 1 15 105 LYS . 6953 1 16 106 THR . 6953 1 17 107 SER . 6953 1 18 108 MET . 6953 1 19 109 LYS . 6953 1 20 110 HIS . 6953 1 21 111 VAL . 6953 1 22 112 ALA . 6953 1 23 113 GLY . 6953 1 24 114 ALA . 6953 1 25 115 ALA . 6953 1 26 116 ALA . 6953 1 27 117 ALA . 6953 1 28 118 GLY . 6953 1 29 119 ALA . 6953 1 30 120 VAL . 6953 1 31 121 VAL . 6953 1 32 122 GLY . 6953 1 33 123 GLY . 6953 1 34 124 LEU . 6953 1 35 125 GLY . 6953 1 36 126 GLY . 6953 1 37 127 TYR . 6953 1 38 128 MET . 6953 1 39 129 LEU . 6953 1 40 130 GLY . 6953 1 41 131 SER . 6953 1 42 132 ALA . 6953 1 43 133 MET . 6953 1 44 134 SER . 6953 1 45 135 ARG . 6953 1 46 136 PRO . 6953 1 47 137 LEU . 6953 1 48 138 ILE . 6953 1 49 139 HIS . 6953 1 50 140 PHE . 6953 1 51 141 GLY . 6953 1 52 142 ASN . 6953 1 53 143 ASP . 6953 1 54 144 TYR . 6953 1 55 145 GLU . 6953 1 56 146 ASP . 6953 1 57 147 ARG . 6953 1 58 148 TYR . 6953 1 59 149 TYR . 6953 1 60 150 ARG . 6953 1 61 151 GLU . 6953 1 62 152 ASN . 6953 1 63 153 MET . 6953 1 64 154 TYR . 6953 1 65 155 ARG . 6953 1 66 156 TYR . 6953 1 67 157 PRO . 6953 1 68 158 ASN . 6953 1 69 159 GLN . 6953 1 70 160 VAL . 6953 1 71 161 TYR . 6953 1 72 162 TYR . 6953 1 73 163 ARG . 6953 1 74 164 PRO . 6953 1 75 165 VAL . 6953 1 76 166 ASP . 6953 1 77 167 GLN . 6953 1 78 168 TYR . 6953 1 79 169 SER . 6953 1 80 170 ASN . 6953 1 81 171 GLN . 6953 1 82 172 ASN . 6953 1 83 173 SER . 6953 1 84 174 PHE . 6953 1 85 175 VAL . 6953 1 86 176 HIS . 6953 1 87 177 ASP . 6953 1 88 178 CYS . 6953 1 89 179 VAL . 6953 1 90 180 ASN . 6953 1 91 181 ILE . 6953 1 92 182 THR . 6953 1 93 183 VAL . 6953 1 94 184 LYS . 6953 1 95 185 GLN . 6953 1 96 186 HIS . 6953 1 97 187 THR . 6953 1 98 188 VAL . 6953 1 99 189 THR . 6953 1 100 190 THR . 6953 1 101 191 THR . 6953 1 102 192 THR . 6953 1 103 193 LYS . 6953 1 104 194 GLY . 6953 1 105 195 GLU . 6953 1 106 196 ASN . 6953 1 107 197 PHE . 6953 1 108 198 THR . 6953 1 109 199 GLU . 6953 1 110 200 THR . 6953 1 111 201 ASP . 6953 1 112 202 ILE . 6953 1 113 203 LYS . 6953 1 114 204 ILE . 6953 1 115 205 MET . 6953 1 116 206 GLU . 6953 1 117 207 ARG . 6953 1 118 208 VAL . 6953 1 119 209 VAL . 6953 1 120 210 GLU . 6953 1 121 211 GLN . 6953 1 122 212 MET . 6953 1 123 213 CYS . 6953 1 124 214 ILE . 6953 1 125 215 THR . 6953 1 126 216 GLN . 6953 1 127 217 TYR . 6953 1 128 218 GLN . 6953 1 129 219 GLN . 6953 1 130 220 GLU . 6953 1 131 221 SER . 6953 1 132 222 GLN . 6953 1 133 223 ALA . 6953 1 134 224 ALA . 6953 1 135 225 TYR . 6953 1 136 226 GLN . 6953 1 137 227 ARG . 6953 1 138 228 ALA . 6953 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 . GLN 1 1 6953 1 . GLY 2 2 6953 1 . GLY 3 3 6953 1 . THR 4 4 6953 1 . HIS 5 5 6953 1 . ASN 6 6 6953 1 . GLN 7 7 6953 1 . TRP 8 8 6953 1 . GLY 9 9 6953 1 . LYS 10 10 6953 1 . PRO 11 11 6953 1 . SER 12 12 6953 1 . LYS 13 13 6953 1 . PRO 14 14 6953 1 . LYS 15 15 6953 1 . THR 16 16 6953 1 . SER 17 17 6953 1 . MET 18 18 6953 1 . LYS 19 19 6953 1 . HIS 20 20 6953 1 . VAL 21 21 6953 1 . ALA 22 22 6953 1 . GLY 23 23 6953 1 . ALA 24 24 6953 1 . ALA 25 25 6953 1 . ALA 26 26 6953 1 . ALA 27 27 6953 1 . GLY 28 28 6953 1 . ALA 29 29 6953 1 . VAL 30 30 6953 1 . VAL 31 31 6953 1 . GLY 32 32 6953 1 . GLY 33 33 6953 1 . LEU 34 34 6953 1 . GLY 35 35 6953 1 . GLY 36 36 6953 1 . TYR 37 37 6953 1 . MET 38 38 6953 1 . LEU 39 39 6953 1 . GLY 40 40 6953 1 . SER 41 41 6953 1 . ALA 42 42 6953 1 . MET 43 43 6953 1 . SER 44 44 6953 1 . ARG 45 45 6953 1 . PRO 46 46 6953 1 . LEU 47 47 6953 1 . ILE 48 48 6953 1 . HIS 49 49 6953 1 . PHE 50 50 6953 1 . GLY 51 51 6953 1 . ASN 52 52 6953 1 . ASP 53 53 6953 1 . TYR 54 54 6953 1 . GLU 55 55 6953 1 . ASP 56 56 6953 1 . ARG 57 57 6953 1 . TYR 58 58 6953 1 . TYR 59 59 6953 1 . ARG 60 60 6953 1 . GLU 61 61 6953 1 . ASN 62 62 6953 1 . MET 63 63 6953 1 . TYR 64 64 6953 1 . ARG 65 65 6953 1 . TYR 66 66 6953 1 . PRO 67 67 6953 1 . ASN 68 68 6953 1 . GLN 69 69 6953 1 . VAL 70 70 6953 1 . TYR 71 71 6953 1 . TYR 72 72 6953 1 . ARG 73 73 6953 1 . PRO 74 74 6953 1 . VAL 75 75 6953 1 . ASP 76 76 6953 1 . GLN 77 77 6953 1 . TYR 78 78 6953 1 . SER 79 79 6953 1 . ASN 80 80 6953 1 . GLN 81 81 6953 1 . ASN 82 82 6953 1 . SER 83 83 6953 1 . PHE 84 84 6953 1 . VAL 85 85 6953 1 . HIS 86 86 6953 1 . ASP 87 87 6953 1 . CYS 88 88 6953 1 . VAL 89 89 6953 1 . ASN 90 90 6953 1 . ILE 91 91 6953 1 . THR 92 92 6953 1 . VAL 93 93 6953 1 . LYS 94 94 6953 1 . GLN 95 95 6953 1 . HIS 96 96 6953 1 . THR 97 97 6953 1 . VAL 98 98 6953 1 . THR 99 99 6953 1 . THR 100 100 6953 1 . THR 101 101 6953 1 . THR 102 102 6953 1 . LYS 103 103 6953 1 . GLY 104 104 6953 1 . GLU 105 105 6953 1 . ASN 106 106 6953 1 . PHE 107 107 6953 1 . THR 108 108 6953 1 . GLU 109 109 6953 1 . THR 110 110 6953 1 . ASP 111 111 6953 1 . ILE 112 112 6953 1 . LYS 113 113 6953 1 . ILE 114 114 6953 1 . MET 115 115 6953 1 . GLU 116 116 6953 1 . ARG 117 117 6953 1 . VAL 118 118 6953 1 . VAL 119 119 6953 1 . GLU 120 120 6953 1 . GLN 121 121 6953 1 . MET 122 122 6953 1 . CYS 123 123 6953 1 . ILE 124 124 6953 1 . THR 125 125 6953 1 . GLN 126 126 6953 1 . TYR 127 127 6953 1 . GLN 128 128 6953 1 . GLN 129 129 6953 1 . GLU 130 130 6953 1 . SER 131 131 6953 1 . GLN 132 132 6953 1 . ALA 133 133 6953 1 . ALA 134 134 6953 1 . TYR 135 135 6953 1 . GLN 136 136 6953 1 . ARG 137 137 6953 1 . ALA 138 138 6953 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 6953 _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 $entity . 9986 organism . 'Oryctolagus cuniculus' Rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 6953 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 6953 _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 $entity . 'recombiant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6953 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6953 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Major prion protein' '[U-15N; U-13C]' . . 1 $entity . . 1 . . mM . . . . 6953 1 2 'acetate buffer' . . . . . . . 20 . . mM . . . . 6953 1 3 H2O . . . . . . . 90 . . % . . . . 6953 1 4 D2O . . . . . . . 10 . . % . . . . 6953 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6953 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 6953 1 pressure 1 . atm 6953 1 temperature 298 . K 6953 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6953 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6953 1 stop_ save_ save_aria _Software.Sf_category software _Software.Sf_framecode aria _Software.Entry_ID 6953 _Software.ID 2 _Software.Name ARIA _Software.Version 1.2 _Software.Details Nigles loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6953 2 'structure solution' 6953 2 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 6953 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6953 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 6953 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 6953 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA-J . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6953 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6953 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6953 1 4 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6953 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6953 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6953 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6953 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6953 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6953 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6953 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 1 1 GLN HA H 1 4.423 0.003 . 1 . . . . . . . . 6953 1 2 . 1 1 1 1 GLN HB2 H 1 2.047 0.023 . 1 . . . . . . . . 6953 1 3 . 1 1 1 1 GLN HB3 H 1 2.047 0.023 . 1 . . . . . . . . 6953 1 4 . 1 1 1 1 GLN HG2 H 1 2.400 0.013 . 1 . . . . . . . . 6953 1 5 . 1 1 1 1 GLN HG3 H 1 2.400 0.013 . 1 . . . . . . . . 6953 1 6 . 1 1 1 1 GLN HE21 H 1 6.867 0.001 . 1 . . . . . . . . 6953 1 7 . 1 1 1 1 GLN HE22 H 1 7.522 0.001 . 1 . . . . . . . . 6953 1 8 . 1 1 1 1 GLN C C 13 176.095 0.002 . 1 . . . . . . . . 6953 1 9 . 1 1 1 1 GLN CA C 13 56.145 0.026 . 1 . . . . . . . . 6953 1 10 . 1 1 1 1 GLN CB C 13 29.725 0.114 . 1 . . . . . . . . 6953 1 11 . 1 1 1 1 GLN CG C 13 33.678 0.063 . 1 . . . . . . . . 6953 1 12 . 1 1 1 1 GLN NE2 N 15 111.846 0.082 . 1 . . . . . . . . 6953 1 13 . 1 1 2 2 GLY H H 1 8.610 0.001 . 1 . . . . . . . . 6953 1 14 . 1 1 2 2 GLY HA2 H 1 4.002 0.006 . 1 . . . . . . . . 6953 1 15 . 1 1 2 2 GLY HA3 H 1 4.002 0.006 . 1 . . . . . . . . 6953 1 16 . 1 1 2 2 GLY C C 13 174.514 0.036 . 1 . . . . . . . . 6953 1 17 . 1 1 2 2 GLY CA C 13 45.315 0.034 . 1 . . . . . . . . 6953 1 18 . 1 1 2 2 GLY N N 15 111.436 0.019 . 1 . . . . . . . . 6953 1 19 . 1 1 3 3 GLY H H 1 8.311 0.002 . 1 . . . . . . . . 6953 1 20 . 1 1 3 3 GLY HA2 H 1 4.010 0.005 . 1 . . . . . . . . 6953 1 21 . 1 1 3 3 GLY HA3 H 1 4.010 0.005 . 1 . . . . . . . . 6953 1 22 . 1 1 3 3 GLY C C 13 174.486 0.041 . 1 . . . . . . . . 6953 1 23 . 1 1 3 3 GLY CA C 13 45.331 0.128 . 1 . . . . . . . . 6953 1 24 . 1 1 3 3 GLY N N 15 108.625 0.038 . 1 . . . . . . . . 6953 1 25 . 1 1 4 4 THR H H 1 8.112 0.009 . 1 . . . . . . . . 6953 1 26 . 1 1 4 4 THR HA H 1 4.300 0.007 . 1 . . . . . . . . 6953 1 27 . 1 1 4 4 THR HB H 1 4.168 0.005 . 1 . . . . . . . . 6953 1 28 . 1 1 4 4 THR HG21 H 1 1.153 0.014 . 1 . . . . . . . . 6953 1 29 . 1 1 4 4 THR HG22 H 1 1.153 0.014 . 1 . . . . . . . . 6953 1 30 . 1 1 4 4 THR HG23 H 1 1.153 0.014 . 1 . . . . . . . . 6953 1 31 . 1 1 4 4 THR C C 13 174.613 0.054 . 1 . . . . . . . . 6953 1 32 . 1 1 4 4 THR CA C 13 62.003 0.160 . 1 . . . . . . . . 6953 1 33 . 1 1 4 4 THR CB C 13 69.891 0.140 . 1 . . . . . . . . 6953 1 34 . 1 1 4 4 THR CG2 C 13 21.674 0.213 . 1 . . . . . . . . 6953 1 35 . 1 1 4 4 THR N N 15 113.225 0.018 . 1 . . . . . . . . 6953 1 36 . 1 1 5 5 HIS H H 1 8.557 0.002 . 1 . . . . . . . . 6953 1 37 . 1 1 5 5 HIS HA H 1 4.616 0.034 . 1 . . . . . . . . 6953 1 38 . 1 1 5 5 HIS HB2 H 1 3.094 0.019 . 1 . . . . . . . . 6953 1 39 . 1 1 5 5 HIS HB3 H 1 3.157 0.034 . 1 . . . . . . . . 6953 1 40 . 1 1 5 5 HIS HD2 H 1 7.100 0.002 . 1 . . . . . . . . 6953 1 41 . 1 1 5 5 HIS C C 13 174.302 0.054 . 1 . . . . . . . . 6953 1 42 . 1 1 5 5 HIS CA C 13 55.665 0.356 . 1 . . . . . . . . 6953 1 43 . 1 1 5 5 HIS CB C 13 29.646 0.302 . 1 . . . . . . . . 6953 1 44 . 1 1 5 5 HIS N N 15 120.735 0.076 . 1 . . . . . . . . 6953 1 45 . 1 1 6 6 ASN H H 1 8.386 0.002 . 1 . . . . . . . . 6953 1 46 . 1 1 6 6 ASN HA H 1 4.578 0.015 . 1 . . . . . . . . 6953 1 47 . 1 1 6 6 ASN HB2 H 1 2.653 0.005 . 1 . . . . . . . . 6953 1 48 . 1 1 6 6 ASN HB3 H 1 2.653 0.005 . 1 . . . . . . . . 6953 1 49 . 1 1 6 6 ASN HD21 H 1 6.876 0.007 . 1 . . . . . . . . 6953 1 50 . 1 1 6 6 ASN HD22 H 1 7.498 0.002 . 1 . . . . . . . . 6953 1 51 . 1 1 6 6 ASN C C 13 175.153 0.043 . 1 . . . . . . . . 6953 1 52 . 1 1 6 6 ASN CA C 13 53.358 0.117 . 1 . . . . . . . . 6953 1 53 . 1 1 6 6 ASN CB C 13 38.890 0.167 . 1 . . . . . . . . 6953 1 54 . 1 1 6 6 ASN N N 15 119.928 0.022 . 1 . . . . . . . . 6953 1 55 . 1 1 6 6 ASN ND2 N 15 112.225 0.120 . 1 . . . . . . . . 6953 1 56 . 1 1 7 7 GLN H H 1 8.360 0.001 . 1 . . . . . . . . 6953 1 57 . 1 1 7 7 GLN HA H 1 4.216 0.007 . 1 . . . . . . . . 6953 1 58 . 1 1 7 7 GLN HB2 H 1 1.874 0.014 . 1 . . . . . . . . 6953 1 59 . 1 1 7 7 GLN HB3 H 1 1.815 0.008 . 1 . . . . . . . . 6953 1 60 . 1 1 7 7 GLN HG2 H 1 2.101 0.013 . 1 . . . . . . . . 6953 1 61 . 1 1 7 7 GLN HG3 H 1 2.060 0.004 . 1 . . . . . . . . 6953 1 62 . 1 1 7 7 GLN HE21 H 1 6.804 0.002 . 1 . . . . . . . . 6953 1 63 . 1 1 7 7 GLN HE22 H 1 7.340 0.002 . 1 . . . . . . . . 6953 1 64 . 1 1 7 7 GLN C C 13 175.655 0.026 . 1 . . . . . . . . 6953 1 65 . 1 1 7 7 GLN CA C 13 56.181 0.144 . 1 . . . . . . . . 6953 1 66 . 1 1 7 7 GLN CB C 13 29.238 0.176 . 1 . . . . . . . . 6953 1 67 . 1 1 7 7 GLN CG C 13 33.540 0.111 . 1 . . . . . . . . 6953 1 68 . 1 1 7 7 GLN N N 15 120.728 0.020 . 1 . . . . . . . . 6953 1 69 . 1 1 7 7 GLN NE2 N 15 111.712 0.070 . 1 . . . . . . . . 6953 1 70 . 1 1 8 8 TRP H H 1 8.121 0.001 . 1 . . . . . . . . 6953 1 71 . 1 1 8 8 TRP HA H 1 4.712 0.016 . 1 . . . . . . . . 6953 1 72 . 1 1 8 8 TRP HB2 H 1 3.220 0.002 . 1 . . . . . . . . 6953 1 73 . 1 1 8 8 TRP HB3 H 1 3.357 0.002 . 1 . . . . . . . . 6953 1 74 . 1 1 8 8 TRP HD1 H 1 7.643 0.020 . 1 . . . . . . . . 6953 1 75 . 1 1 8 8 TRP HE1 H 1 10.091 0.030 . 1 . . . . . . . . 6953 1 76 . 1 1 8 8 TRP HE3 H 1 7.238 0.023 . 1 . . . . . . . . 6953 1 77 . 1 1 8 8 TRP HZ3 H 1 6.632 0.004 . 1 . . . . . . . . 6953 1 78 . 1 1 8 8 TRP C C 13 176.696 0.020 . 1 . . . . . . . . 6953 1 79 . 1 1 8 8 TRP CA C 13 57.336 0.179 . 1 . . . . . . . . 6953 1 80 . 1 1 8 8 TRP CB C 13 29.810 0.057 . 1 . . . . . . . . 6953 1 81 . 1 1 8 8 TRP N N 15 121.826 0.024 . 1 . . . . . . . . 6953 1 82 . 1 1 8 8 TRP NE1 N 15 129.182 0.003 . 1 . . . . . . . . 6953 1 83 . 1 1 9 9 GLY H H 1 8.180 0.002 . 1 . . . . . . . . 6953 1 84 . 1 1 9 9 GLY HA2 H 1 3.854 0.004 . 1 . . . . . . . . 6953 1 85 . 1 1 9 9 GLY HA3 H 1 3.854 0.004 . 1 . . . . . . . . 6953 1 86 . 1 1 9 9 GLY C C 13 173.600 0.045 . 1 . . . . . . . . 6953 1 87 . 1 1 9 9 GLY CA C 13 45.224 0.056 . 1 . . . . . . . . 6953 1 88 . 1 1 9 9 GLY N N 15 110.260 0.020 . 1 . . . . . . . . 6953 1 89 . 1 1 10 10 LYS H H 1 8.045 0.001 . 1 . . . . . . . . 6953 1 90 . 1 1 10 10 LYS HA H 1 4.613 0.008 . 1 . . . . . . . . 6953 1 91 . 1 1 10 10 LYS HB2 H 1 1.812 0.012 . 1 . . . . . . . . 6953 1 92 . 1 1 10 10 LYS HB3 H 1 1.700 0.016 . 1 . . . . . . . . 6953 1 93 . 1 1 10 10 LYS HG2 H 1 1.457 0.005 . 1 . . . . . . . . 6953 1 94 . 1 1 10 10 LYS HG3 H 1 1.457 0.005 . 1 . . . . . . . . 6953 1 95 . 1 1 10 10 LYS HD2 H 1 1.699 0.016 . 1 . . . . . . . . 6953 1 96 . 1 1 10 10 LYS HD3 H 1 1.699 0.016 . 1 . . . . . . . . 6953 1 97 . 1 1 10 10 LYS HE2 H 1 2.998 0.002 . 1 . . . . . . . . 6953 1 98 . 1 1 10 10 LYS HE3 H 1 2.998 0.002 . 1 . . . . . . . . 6953 1 99 . 1 1 10 10 LYS C C 13 174.639 0.040 . 1 . . . . . . . . 6953 1 100 . 1 1 10 10 LYS CA C 13 54.340 0.209 . 1 . . . . . . . . 6953 1 101 . 1 1 10 10 LYS CB C 13 32.858 0.159 . 1 . . . . . . . . 6953 1 102 . 1 1 10 10 LYS CG C 13 25.109 0.039 . 1 . . . . . . . . 6953 1 103 . 1 1 10 10 LYS CD C 13 29.072 0.100 . 1 . . . . . . . . 6953 1 104 . 1 1 10 10 LYS CE C 13 41.964 0.005 . 1 . . . . . . . . 6953 1 105 . 1 1 10 10 LYS N N 15 121.811 0.022 . 1 . . . . . . . . 6953 1 106 . 1 1 11 11 PRO HA H 1 4.458 0.010 . 1 . . . . . . . . 6953 1 107 . 1 1 11 11 PRO HB2 H 1 1.906 0.013 . 1 . . . . . . . . 6953 1 108 . 1 1 11 11 PRO HB3 H 1 2.302 0.008 . 1 . . . . . . . . 6953 1 109 . 1 1 11 11 PRO HG2 H 1 2.018 0.011 . 1 . . . . . . . . 6953 1 110 . 1 1 11 11 PRO HG3 H 1 2.018 0.011 . 1 . . . . . . . . 6953 1 111 . 1 1 11 11 PRO HD2 H 1 3.829 0.005 . 1 . . . . . . . . 6953 1 112 . 1 1 11 11 PRO HD3 H 1 3.643 0.010 . 1 . . . . . . . . 6953 1 113 . 1 1 11 11 PRO C C 13 176.971 0.004 . 1 . . . . . . . . 6953 1 114 . 1 1 11 11 PRO CA C 13 63.201 0.193 . 1 . . . . . . . . 6953 1 115 . 1 1 11 11 PRO CB C 13 32.341 0.216 . 1 . . . . . . . . 6953 1 116 . 1 1 11 11 PRO CG C 13 27.615 0.251 . 1 . . . . . . . . 6953 1 117 . 1 1 11 11 PRO CD C 13 50.890 0.210 . 1 . . . . . . . . 6953 1 118 . 1 1 12 12 SER H H 1 8.431 0.001 . 1 . . . . . . . . 6953 1 119 . 1 1 12 12 SER HA H 1 4.433 0.010 . 1 . . . . . . . . 6953 1 120 . 1 1 12 12 SER HB2 H 1 3.838 0.004 . 1 . . . . . . . . 6953 1 121 . 1 1 12 12 SER HB3 H 1 3.838 0.004 . 1 . . . . . . . . 6953 1 122 . 1 1 12 12 SER C C 13 174.154 0.020 . 1 . . . . . . . . 6953 1 123 . 1 1 12 12 SER CA C 13 58.293 0.252 . 1 . . . . . . . . 6953 1 124 . 1 1 12 12 SER CB C 13 64.037 0.134 . 1 . . . . . . . . 6953 1 125 . 1 1 12 12 SER N N 15 116.987 0.024 . 1 . . . . . . . . 6953 1 126 . 1 1 13 13 LYS H H 1 8.324 0.001 . 1 . . . . . . . . 6953 1 127 . 1 1 13 13 LYS HA H 1 4.616 0.009 . 1 . . . . . . . . 6953 1 128 . 1 1 13 13 LYS HB2 H 1 1.759 0.020 . 1 . . . . . . . . 6953 1 129 . 1 1 13 13 LYS HB3 H 1 1.818 0.007 . 1 . . . . . . . . 6953 1 130 . 1 1 13 13 LYS HG2 H 1 1.464 0.006 . 1 . . . . . . . . 6953 1 131 . 1 1 13 13 LYS HG3 H 1 1.464 0.006 . 1 . . . . . . . . 6953 1 132 . 1 1 13 13 LYS HD2 H 1 1.696 0.013 . 1 . . . . . . . . 6953 1 133 . 1 1 13 13 LYS HD3 H 1 1.696 0.013 . 1 . . . . . . . . 6953 1 134 . 1 1 13 13 LYS HE2 H 1 2.991 0.019 . 1 . . . . . . . . 6953 1 135 . 1 1 13 13 LYS HE3 H 1 2.991 0.019 . 1 . . . . . . . . 6953 1 136 . 1 1 13 13 LYS C C 13 174.502 0.040 . 1 . . . . . . . . 6953 1 137 . 1 1 13 13 LYS CA C 13 54.372 0.154 . 1 . . . . . . . . 6953 1 138 . 1 1 13 13 LYS CB C 13 32.830 0.211 . 1 . . . . . . . . 6953 1 139 . 1 1 13 13 LYS CG C 13 24.713 0.183 . 1 . . . . . . . . 6953 1 140 . 1 1 13 13 LYS CD C 13 29.322 0.269 . 1 . . . . . . . . 6953 1 141 . 1 1 13 13 LYS CE C 13 41.995 0.156 . 1 . . . . . . . . 6953 1 142 . 1 1 13 13 LYS N N 15 124.227 0.018 . 1 . . . . . . . . 6953 1 143 . 1 1 14 14 PRO HA H 1 4.411 0.017 . 1 . . . . . . . . 6953 1 144 . 1 1 14 14 PRO HB2 H 1 2.301 0.009 . 1 . . . . . . . . 6953 1 145 . 1 1 14 14 PRO HB3 H 1 1.909 0.010 . 1 . . . . . . . . 6953 1 146 . 1 1 14 14 PRO HG2 H 1 2.023 0.008 . 1 . . . . . . . . 6953 1 147 . 1 1 14 14 PRO HG3 H 1 2.023 0.008 . 1 . . . . . . . . 6953 1 148 . 1 1 14 14 PRO HD2 H 1 3.833 0.009 . 1 . . . . . . . . 6953 1 149 . 1 1 14 14 PRO HD3 H 1 3.641 0.007 . 1 . . . . . . . . 6953 1 150 . 1 1 14 14 PRO CA C 13 63.285 0.388 . 1 . . . . . . . . 6953 1 151 . 1 1 14 14 PRO CB C 13 32.446 0.302 . 1 . . . . . . . . 6953 1 152 . 1 1 14 14 PRO CG C 13 27.683 0.246 . 1 . . . . . . . . 6953 1 153 . 1 1 14 14 PRO CD C 13 51.061 0.129 . 1 . . . . . . . . 6953 1 154 . 1 1 15 15 LYS H H 1 8.531 0.001 . 1 . . . . . . . . 6953 1 155 . 1 1 15 15 LYS HA H 1 4.340 0.008 . 1 . . . . . . . . 6953 1 156 . 1 1 15 15 LYS HB2 H 1 1.789 0.019 . 1 . . . . . . . . 6953 1 157 . 1 1 15 15 LYS HB3 H 1 1.845 0.022 . 1 . . . . . . . . 6953 1 158 . 1 1 15 15 LYS HG2 H 1 1.492 0.040 . 1 . . . . . . . . 6953 1 159 . 1 1 15 15 LYS HG3 H 1 1.356 0.025 . 1 . . . . . . . . 6953 1 160 . 1 1 15 15 LYS HD2 H 1 1.696 0.017 . 1 . . . . . . . . 6953 1 161 . 1 1 15 15 LYS HD3 H 1 1.696 0.017 . 1 . . . . . . . . 6953 1 162 . 1 1 15 15 LYS HE2 H 1 3.016 0.003 . 1 . . . . . . . . 6953 1 163 . 1 1 15 15 LYS HE3 H 1 3.016 0.003 . 1 . . . . . . . . 6953 1 164 . 1 1 15 15 LYS C C 13 176.948 0.010 . 1 . . . . . . . . 6953 1 165 . 1 1 15 15 LYS CA C 13 56.586 0.121 . 1 . . . . . . . . 6953 1 166 . 1 1 15 15 LYS CB C 13 33.018 0.161 . 1 . . . . . . . . 6953 1 167 . 1 1 15 15 LYS CG C 13 24.936 0.199 . 1 . . . . . . . . 6953 1 168 . 1 1 15 15 LYS CD C 13 28.906 0.123 . 1 . . . . . . . . 6953 1 169 . 1 1 15 15 LYS CE C 13 41.883 0.066 . 1 . . . . . . . . 6953 1 170 . 1 1 15 15 LYS N N 15 122.267 0.021 . 1 . . . . . . . . 6953 1 171 . 1 1 16 16 THR H H 1 8.134 0.002 . 1 . . . . . . . . 6953 1 172 . 1 1 16 16 THR HA H 1 4.377 0.030 . 1 . . . . . . . . 6953 1 173 . 1 1 16 16 THR HB H 1 4.201 0.015 . 1 . . . . . . . . 6953 1 174 . 1 1 16 16 THR HG1 H 1 1.209 0.005 . 1 . . . . . . . . 6953 1 175 . 1 1 16 16 THR HG21 H 1 1.221 0.016 . 1 . . . . . . . . 6953 1 176 . 1 1 16 16 THR HG22 H 1 1.221 0.016 . 1 . . . . . . . . 6953 1 177 . 1 1 16 16 THR HG23 H 1 1.221 0.016 . 1 . . . . . . . . 6953 1 178 . 1 1 16 16 THR C C 13 174.363 0.045 . 1 . . . . . . . . 6953 1 179 . 1 1 16 16 THR CA C 13 61.716 0.111 . 1 . . . . . . . . 6953 1 180 . 1 1 16 16 THR CB C 13 70.102 0.167 . 1 . . . . . . . . 6953 1 181 . 1 1 16 16 THR CG2 C 13 21.740 0.225 . 1 . . . . . . . . 6953 1 182 . 1 1 16 16 THR N N 15 115.564 0.022 . 1 . . . . . . . . 6953 1 183 . 1 1 17 17 SER H H 1 8.384 0.002 . 1 . . . . . . . . 6953 1 184 . 1 1 17 17 SER HA H 1 4.484 0.006 . 1 . . . . . . . . 6953 1 185 . 1 1 17 17 SER HB2 H 1 3.858 0.012 . 1 . . . . . . . . 6953 1 186 . 1 1 17 17 SER HB3 H 1 4.019 0.010 . 1 . . . . . . . . 6953 1 187 . 1 1 17 17 SER C C 13 174.380 0.006 . 1 . . . . . . . . 6953 1 188 . 1 1 17 17 SER CA C 13 58.185 0.126 . 1 . . . . . . . . 6953 1 189 . 1 1 17 17 SER CB C 13 64.039 0.192 . 1 . . . . . . . . 6953 1 190 . 1 1 17 17 SER N N 15 118.321 0.022 . 1 . . . . . . . . 6953 1 191 . 1 1 18 18 MET H H 1 8.407 0.001 . 1 . . . . . . . . 6953 1 192 . 1 1 18 18 MET HA H 1 4.484 0.006 . 1 . . . . . . . . 6953 1 193 . 1 1 18 18 MET HB2 H 1 2.036 0.015 . 1 . . . . . . . . 6953 1 194 . 1 1 18 18 MET HB3 H 1 1.979 0.004 . 1 . . . . . . . . 6953 1 195 . 1 1 18 18 MET HG2 H 1 2.553 0.011 . 1 . . . . . . . . 6953 1 196 . 1 1 18 18 MET HG3 H 1 2.518 0.002 . 1 . . . . . . . . 6953 1 197 . 1 1 18 18 MET HE1 H 1 2.087 0.001 . 1 . . . . . . . . 6953 1 198 . 1 1 18 18 MET HE2 H 1 2.087 0.001 . 1 . . . . . . . . 6953 1 199 . 1 1 18 18 MET HE3 H 1 2.087 0.001 . 1 . . . . . . . . 6953 1 200 . 1 1 18 18 MET C C 13 175.980 0.021 . 1 . . . . . . . . 6953 1 201 . 1 1 18 18 MET CA C 13 55.501 0.133 . 1 . . . . . . . . 6953 1 202 . 1 1 18 18 MET CB C 13 33.077 0.182 . 1 . . . . . . . . 6953 1 203 . 1 1 18 18 MET CG C 13 31.995 0.121 . 1 . . . . . . . . 6953 1 204 . 1 1 18 18 MET CE C 13 17.411 0.002 . 1 . . . . . . . . 6953 1 205 . 1 1 18 18 MET N N 15 122.919 0.023 . 1 . . . . . . . . 6953 1 206 . 1 1 19 19 LYS H H 1 8.289 0.001 . 1 . . . . . . . . 6953 1 207 . 1 1 19 19 LYS HA H 1 4.268 0.008 . 1 . . . . . . . . 6953 1 208 . 1 1 19 19 LYS HB2 H 1 1.728 0.010 . 1 . . . . . . . . 6953 1 209 . 1 1 19 19 LYS HB3 H 1 1.728 0.010 . 1 . . . . . . . . 6953 1 210 . 1 1 19 19 LYS HG2 H 1 1.384 0.026 . 1 . . . . . . . . 6953 1 211 . 1 1 19 19 LYS HG3 H 1 1.420 0.010 . 1 . . . . . . . . 6953 1 212 . 1 1 19 19 LYS HD2 H 1 1.654 0.010 . 1 . . . . . . . . 6953 1 213 . 1 1 19 19 LYS HD3 H 1 1.654 0.010 . 1 . . . . . . . . 6953 1 214 . 1 1 19 19 LYS HE2 H 1 2.964 0.021 . 1 . . . . . . . . 6953 1 215 . 1 1 19 19 LYS HE3 H 1 2.964 0.021 . 1 . . . . . . . . 6953 1 216 . 1 1 19 19 LYS C C 13 176.144 0.029 . 1 . . . . . . . . 6953 1 217 . 1 1 19 19 LYS CA C 13 56.434 0.210 . 1 . . . . . . . . 6953 1 218 . 1 1 19 19 LYS CB C 13 33.239 0.206 . 1 . . . . . . . . 6953 1 219 . 1 1 19 19 LYS CG C 13 25.103 0.308 . 1 . . . . . . . . 6953 1 220 . 1 1 19 19 LYS CD C 13 29.003 0.208 . 1 . . . . . . . . 6953 1 221 . 1 1 19 19 LYS CE C 13 41.877 0.060 . 1 . . . . . . . . 6953 1 222 . 1 1 19 19 LYS N N 15 122.837 0.030 . 1 . . . . . . . . 6953 1 223 . 1 1 20 20 HIS H H 1 8.561 0.005 . 1 . . . . . . . . 6953 1 224 . 1 1 20 20 HIS HA H 1 4.677 0.026 . 1 . . . . . . . . 6953 1 225 . 1 1 20 20 HIS HB2 H 1 3.112 0.019 . 1 . . . . . . . . 6953 1 226 . 1 1 20 20 HIS HB3 H 1 3.157 0.016 . 1 . . . . . . . . 6953 1 227 . 1 1 20 20 HIS HD1 H 1 7.096 0.007 . 1 . . . . . . . . 6953 1 228 . 1 1 20 20 HIS C C 13 174.753 0.584 . 1 . . . . . . . . 6953 1 229 . 1 1 20 20 HIS CA C 13 55.626 0.322 . 1 . . . . . . . . 6953 1 230 . 1 1 20 20 HIS CB C 13 29.985 0.242 . 1 . . . . . . . . 6953 1 231 . 1 1 20 20 HIS N N 15 120.919 0.038 . 1 . . . . . . . . 6953 1 232 . 1 1 21 21 VAL H H 1 8.215 0.003 . 1 . . . . . . . . 6953 1 233 . 1 1 21 21 VAL HA H 1 4.092 0.014 . 1 . . . . . . . . 6953 1 234 . 1 1 21 21 VAL HB H 1 2.028 0.011 . 1 . . . . . . . . 6953 1 235 . 1 1 21 21 VAL HG11 H 1 0.897 0.014 . 1 . . . . . . . . 6953 1 236 . 1 1 21 21 VAL HG12 H 1 0.897 0.014 . 1 . . . . . . . . 6953 1 237 . 1 1 21 21 VAL HG13 H 1 0.897 0.014 . 1 . . . . . . . . 6953 1 238 . 1 1 21 21 VAL HG21 H 1 1.000 0.005 . 1 . . . . . . . . 6953 1 239 . 1 1 21 21 VAL HG22 H 1 1.000 0.005 . 1 . . . . . . . . 6953 1 240 . 1 1 21 21 VAL HG23 H 1 1.000 0.005 . 1 . . . . . . . . 6953 1 241 . 1 1 21 21 VAL C C 13 175.533 0.009 . 1 . . . . . . . . 6953 1 242 . 1 1 21 21 VAL CA C 13 62.053 0.100 . 1 . . . . . . . . 6953 1 243 . 1 1 21 21 VAL CB C 13 33.069 0.154 . 1 . . . . . . . . 6953 1 244 . 1 1 21 21 VAL CG1 C 13 21.113 0.156 . 2 . . . . . . . . 6953 1 245 . 1 1 21 21 VAL N N 15 122.982 0.023 . 1 . . . . . . . . 6953 1 246 . 1 1 22 22 ALA H H 1 8.466 0.002 . 1 . . . . . . . . 6953 1 247 . 1 1 22 22 ALA HA H 1 4.309 0.013 . 1 . . . . . . . . 6953 1 248 . 1 1 22 22 ALA HB1 H 1 1.391 0.018 . 1 . . . . . . . . 6953 1 249 . 1 1 22 22 ALA HB2 H 1 1.391 0.018 . 1 . . . . . . . . 6953 1 250 . 1 1 22 22 ALA HB3 H 1 1.391 0.018 . 1 . . . . . . . . 6953 1 251 . 1 1 22 22 ALA C C 13 178.055 0.005 . 1 . . . . . . . . 6953 1 252 . 1 1 22 22 ALA CA C 13 52.712 0.119 . 1 . . . . . . . . 6953 1 253 . 1 1 22 22 ALA CB C 13 19.586 0.168 . 1 . . . . . . . . 6953 1 254 . 1 1 22 22 ALA N N 15 128.453 0.021 . 1 . . . . . . . . 6953 1 255 . 1 1 23 23 GLY H H 1 8.346 0.034 . 1 . . . . . . . . 6953 1 256 . 1 1 23 23 GLY HA2 H 1 3.941 0.007 . 1 . . . . . . . . 6953 1 257 . 1 1 23 23 GLY HA3 H 1 3.941 0.007 . 1 . . . . . . . . 6953 1 258 . 1 1 23 23 GLY C C 13 173.910 0.047 . 1 . . . . . . . . 6953 1 259 . 1 1 23 23 GLY CA C 13 45.285 0.154 . 1 . . . . . . . . 6953 1 260 . 1 1 23 23 GLY N N 15 108.596 0.318 . 1 . . . . . . . . 6953 1 261 . 1 1 24 24 ALA H H 1 8.153 0.001 . 1 . . . . . . . . 6953 1 262 . 1 1 24 24 ALA HA H 1 4.295 0.004 . 1 . . . . . . . . 6953 1 263 . 1 1 24 24 ALA HB1 H 1 1.386 0.011 . 1 . . . . . . . . 6953 1 264 . 1 1 24 24 ALA HB2 H 1 1.386 0.011 . 1 . . . . . . . . 6953 1 265 . 1 1 24 24 ALA HB3 H 1 1.386 0.011 . 1 . . . . . . . . 6953 1 266 . 1 1 24 24 ALA C C 13 177.687 0.010 . 1 . . . . . . . . 6953 1 267 . 1 1 24 24 ALA CA C 13 52.610 0.141 . 1 . . . . . . . . 6953 1 268 . 1 1 24 24 ALA CB C 13 19.412 0.215 . 1 . . . . . . . . 6953 1 269 . 1 1 24 24 ALA N N 15 123.952 0.015 . 1 . . . . . . . . 6953 1 270 . 1 1 25 25 ALA H H 1 8.291 0.001 . 1 . . . . . . . . 6953 1 271 . 1 1 25 25 ALA HA H 1 4.275 0.003 . 1 . . . . . . . . 6953 1 272 . 1 1 25 25 ALA HB1 H 1 1.379 0.010 . 1 . . . . . . . . 6953 1 273 . 1 1 25 25 ALA HB2 H 1 1.379 0.010 . 1 . . . . . . . . 6953 1 274 . 1 1 25 25 ALA HB3 H 1 1.379 0.010 . 1 . . . . . . . . 6953 1 275 . 1 1 25 25 ALA C C 13 177.635 0.010 . 1 . . . . . . . . 6953 1 276 . 1 1 25 25 ALA CA C 13 52.703 0.180 . 1 . . . . . . . . 6953 1 277 . 1 1 25 25 ALA CB C 13 19.468 0.010 . 1 . . . . . . . . 6953 1 278 . 1 1 25 25 ALA N N 15 123.455 0.011 . 1 . . . . . . . . 6953 1 279 . 1 1 26 26 ALA H H 1 8.206 0.010 . 1 . . . . . . . . 6953 1 280 . 1 1 26 26 ALA HA H 1 4.281 0.005 . 1 . . . . . . . . 6953 1 281 . 1 1 26 26 ALA HB1 H 1 1.377 0.002 . 1 . . . . . . . . 6953 1 282 . 1 1 26 26 ALA HB2 H 1 1.377 0.002 . 1 . . . . . . . . 6953 1 283 . 1 1 26 26 ALA HB3 H 1 1.377 0.002 . 1 . . . . . . . . 6953 1 284 . 1 1 26 26 ALA C C 13 177.570 0.005 . 1 . . . . . . . . 6953 1 285 . 1 1 26 26 ALA CA C 13 52.703 0.205 . 1 . . . . . . . . 6953 1 286 . 1 1 26 26 ALA CB C 13 19.520 0.003 . 1 . . . . . . . . 6953 1 287 . 1 1 26 26 ALA N N 15 123.478 0.005 . 1 . . . . . . . . 6953 1 288 . 1 1 27 27 ALA H H 1 8.218 0.006 . 1 . . . . . . . . 6953 1 289 . 1 1 27 27 ALA HA H 1 4.291 0.005 . 1 . . . . . . . . 6953 1 290 . 1 1 27 27 ALA HB1 H 1 1.388 0.009 . 1 . . . . . . . . 6953 1 291 . 1 1 27 27 ALA HB2 H 1 1.388 0.009 . 1 . . . . . . . . 6953 1 292 . 1 1 27 27 ALA HB3 H 1 1.388 0.009 . 1 . . . . . . . . 6953 1 293 . 1 1 27 27 ALA C C 13 178.259 0.015 . 1 . . . . . . . . 6953 1 294 . 1 1 27 27 ALA CA C 13 52.763 0.115 . 1 . . . . . . . . 6953 1 295 . 1 1 27 27 ALA CB C 13 19.518 0.115 . 1 . . . . . . . . 6953 1 296 . 1 1 27 27 ALA N N 15 123.453 0.019 . 1 . . . . . . . . 6953 1 297 . 1 1 28 28 GLY H H 1 8.288 0.019 . 1 . . . . . . . . 6953 1 298 . 1 1 28 28 GLY HA2 H 1 3.926 0.008 . 1 . . . . . . . . 6953 1 299 . 1 1 28 28 GLY HA3 H 1 3.926 0.008 . 1 . . . . . . . . 6953 1 300 . 1 1 28 28 GLY C C 13 173.786 0.044 . 1 . . . . . . . . 6953 1 301 . 1 1 28 28 GLY CA C 13 45.301 0.090 . 1 . . . . . . . . 6953 1 302 . 1 1 28 28 GLY N N 15 108.077 0.186 . 1 . . . . . . . . 6953 1 303 . 1 1 29 29 ALA H H 1 8.050 0.001 . 1 . . . . . . . . 6953 1 304 . 1 1 29 29 ALA HA H 1 4.349 0.006 . 1 . . . . . . . . 6953 1 305 . 1 1 29 29 ALA HB1 H 1 1.362 0.010 . 1 . . . . . . . . 6953 1 306 . 1 1 29 29 ALA HB2 H 1 1.362 0.010 . 1 . . . . . . . . 6953 1 307 . 1 1 29 29 ALA HB3 H 1 1.362 0.010 . 1 . . . . . . . . 6953 1 308 . 1 1 29 29 ALA C C 13 177.603 0.037 . 1 . . . . . . . . 6953 1 309 . 1 1 29 29 ALA CA C 13 52.465 0.120 . 1 . . . . . . . . 6953 1 310 . 1 1 29 29 ALA CB C 13 19.784 0.129 . 1 . . . . . . . . 6953 1 311 . 1 1 29 29 ALA N N 15 123.625 0.020 . 1 . . . . . . . . 6953 1 312 . 1 1 30 30 VAL H H 1 8.119 0.002 . 1 . . . . . . . . 6953 1 313 . 1 1 30 30 VAL HA H 1 4.130 0.009 . 1 . . . . . . . . 6953 1 314 . 1 1 30 30 VAL HB H 1 2.021 0.009 . 1 . . . . . . . . 6953 1 315 . 1 1 30 30 VAL HG11 H 1 0.960 0.020 . 1 . . . . . . . . 6953 1 316 . 1 1 30 30 VAL HG12 H 1 0.960 0.020 . 1 . . . . . . . . 6953 1 317 . 1 1 30 30 VAL HG13 H 1 0.960 0.020 . 1 . . . . . . . . 6953 1 318 . 1 1 30 30 VAL HG21 H 1 0.885 0.017 . 1 . . . . . . . . 6953 1 319 . 1 1 30 30 VAL HG22 H 1 0.885 0.017 . 1 . . . . . . . . 6953 1 320 . 1 1 30 30 VAL HG23 H 1 0.885 0.017 . 1 . . . . . . . . 6953 1 321 . 1 1 30 30 VAL C C 13 176.370 0.018 . 1 . . . . . . . . 6953 1 322 . 1 1 30 30 VAL CA C 13 62.288 0.169 . 1 . . . . . . . . 6953 1 323 . 1 1 30 30 VAL CB C 13 32.923 0.210 . 1 . . . . . . . . 6953 1 324 . 1 1 30 30 VAL CG2 C 13 20.820 0.001 . 1 . . . . . . . . 6953 1 325 . 1 1 30 30 VAL CG1 C 13 21.555 0.116 . 1 . . . . . . . . 6953 1 326 . 1 1 30 30 VAL N N 15 119.698 0.041 . 1 . . . . . . . . 6953 1 327 . 1 1 31 31 VAL H H 1 8.261 0.002 . 1 . . . . . . . . 6953 1 328 . 1 1 31 31 VAL HA H 1 4.084 0.008 . 1 . . . . . . . . 6953 1 329 . 1 1 31 31 VAL HB H 1 2.026 0.019 . 1 . . . . . . . . 6953 1 330 . 1 1 31 31 VAL HG11 H 1 0.899 0.015 . 2 . . . . . . . . 6953 1 331 . 1 1 31 31 VAL HG12 H 1 0.899 0.015 . 2 . . . . . . . . 6953 1 332 . 1 1 31 31 VAL HG13 H 1 0.899 0.015 . 2 . . . . . . . . 6953 1 333 . 1 1 31 31 VAL C C 13 176.624 0.033 . 1 . . . . . . . . 6953 1 334 . 1 1 31 31 VAL CA C 13 62.632 0.184 . 1 . . . . . . . . 6953 1 335 . 1 1 31 31 VAL CB C 13 32.901 0.144 . 1 . . . . . . . . 6953 1 336 . 1 1 31 31 VAL CG1 C 13 21.012 0.093 . 2 . . . . . . . . 6953 1 337 . 1 1 31 31 VAL N N 15 124.706 0.029 . 1 . . . . . . . . 6953 1 338 . 1 1 32 32 GLY H H 1 8.525 0.005 . 1 . . . . . . . . 6953 1 339 . 1 1 32 32 GLY C C 13 174.704 0.033 . 1 . . . . . . . . 6953 1 340 . 1 1 32 32 GLY CA C 13 45.510 0.122 . 1 . . . . . . . . 6953 1 341 . 1 1 32 32 GLY N N 15 113.205 0.022 . 1 . . . . . . . . 6953 1 342 . 1 1 33 33 GLY H H 1 8.247 0.004 . 1 . . . . . . . . 6953 1 343 . 1 1 33 33 GLY HA2 H 1 3.961 0.009 . 1 . . . . . . . . 6953 1 344 . 1 1 33 33 GLY HA3 H 1 3.961 0.009 . 1 . . . . . . . . 6953 1 345 . 1 1 33 33 GLY C C 13 174.454 0.051 . 1 . . . . . . . . 6953 1 346 . 1 1 33 33 GLY CA C 13 45.531 0.110 . 1 . . . . . . . . 6953 1 347 . 1 1 33 33 GLY N N 15 108.473 0.017 . 1 . . . . . . . . 6953 1 348 . 1 1 34 34 LEU H H 1 8.211 0.002 . 1 . . . . . . . . 6953 1 349 . 1 1 34 34 LEU HA H 1 4.343 0.007 . 1 . . . . . . . . 6953 1 350 . 1 1 34 34 LEU HB2 H 1 1.556 0.019 . 1 . . . . . . . . 6953 1 351 . 1 1 34 34 LEU HB3 H 1 1.602 0.018 . 1 . . . . . . . . 6953 1 352 . 1 1 34 34 LEU HG H 1 1.480 0.014 . 1 . . . . . . . . 6953 1 353 . 1 1 34 34 LEU HD11 H 1 0.641 0.016 . 1 . . . . . . . . 6953 1 354 . 1 1 34 34 LEU HD12 H 1 0.641 0.016 . 1 . . . . . . . . 6953 1 355 . 1 1 34 34 LEU HD13 H 1 0.641 0.016 . 1 . . . . . . . . 6953 1 356 . 1 1 34 34 LEU HD21 H 1 0.538 0.011 . 1 . . . . . . . . 6953 1 357 . 1 1 34 34 LEU HD22 H 1 0.538 0.011 . 1 . . . . . . . . 6953 1 358 . 1 1 34 34 LEU HD23 H 1 0.538 0.011 . 1 . . . . . . . . 6953 1 359 . 1 1 34 34 LEU C C 13 178.048 0.005 . 1 . . . . . . . . 6953 1 360 . 1 1 34 34 LEU CA C 13 55.209 0.162 . 1 . . . . . . . . 6953 1 361 . 1 1 34 34 LEU CB C 13 42.659 0.238 . 1 . . . . . . . . 6953 1 362 . 1 1 34 34 LEU CG C 13 27.066 0.246 . 1 . . . . . . . . 6953 1 363 . 1 1 34 34 LEU CD1 C 13 24.908 0.247 . 1 . . . . . . . . 6953 1 364 . 1 1 34 34 LEU CD2 C 13 23.745 0.252 . 1 . . . . . . . . 6953 1 365 . 1 1 34 34 LEU N N 15 121.645 0.019 . 1 . . . . . . . . 6953 1 366 . 1 1 35 35 GLY H H 1 8.520 0.004 . 1 . . . . . . . . 6953 1 367 . 1 1 35 35 GLY HA2 H 1 3.882 0.022 . 1 . . . . . . . . 6953 1 368 . 1 1 35 35 GLY C C 13 174.897 0.030 . 1 . . . . . . . . 6953 1 369 . 1 1 35 35 GLY CA C 13 46.584 0.189 . 1 . . . . . . . . 6953 1 370 . 1 1 35 35 GLY N N 15 109.804 0.031 . 1 . . . . . . . . 6953 1 371 . 1 1 36 36 GLY H H 1 8.370 0.007 . 1 . . . . . . . . 6953 1 372 . 1 1 36 36 GLY HA2 H 1 3.788 0.011 . 1 . . . . . . . . 6953 1 373 . 1 1 36 36 GLY HA3 H 1 3.921 0.014 . 1 . . . . . . . . 6953 1 374 . 1 1 36 36 GLY C C 13 174.022 0.028 . 1 . . . . . . . . 6953 1 375 . 1 1 36 36 GLY CA C 13 45.428 0.208 . 1 . . . . . . . . 6953 1 376 . 1 1 36 36 GLY N N 15 109.336 0.043 . 1 . . . . . . . . 6953 1 377 . 1 1 37 37 TYR H H 1 7.808 0.007 . 1 . . . . . . . . 6953 1 378 . 1 1 37 37 TYR HA H 1 4.416 0.010 . 1 . . . . . . . . 6953 1 379 . 1 1 37 37 TYR HB2 H 1 2.871 0.018 . 1 . . . . . . . . 6953 1 380 . 1 1 37 37 TYR HB3 H 1 2.938 0.016 . 1 . . . . . . . . 6953 1 381 . 1 1 37 37 TYR HD1 H 1 6.852 0.012 . 1 . . . . . . . . 6953 1 382 . 1 1 37 37 TYR HD2 H 1 6.972 0.013 . 1 . . . . . . . . 6953 1 383 . 1 1 37 37 TYR HE2 H 1 8.299 0.083 . 3 . . . . . . . . 6953 1 384 . 1 1 37 37 TYR HH H 1 8.591 0.030 . 1 . . . . . . . . 6953 1 385 . 1 1 37 37 TYR C C 13 175.671 0.050 . 1 . . . . . . . . 6953 1 386 . 1 1 37 37 TYR CA C 13 58.685 0.243 . 1 . . . . . . . . 6953 1 387 . 1 1 37 37 TYR CB C 13 40.454 0.237 . 1 . . . . . . . . 6953 1 388 . 1 1 37 37 TYR N N 15 118.075 0.043 . 1 . . . . . . . . 6953 1 389 . 1 1 38 38 MET H H 1 9.105 0.006 . 1 . . . . . . . . 6953 1 390 . 1 1 38 38 MET HA H 1 4.506 0.020 . 1 . . . . . . . . 6953 1 391 . 1 1 38 38 MET HB2 H 1 1.598 0.018 . 1 . . . . . . . . 6953 1 392 . 1 1 38 38 MET HB3 H 1 1.028 0.026 . 1 . . . . . . . . 6953 1 393 . 1 1 38 38 MET HG2 H 1 2.219 0.013 . 1 . . . . . . . . 6953 1 394 . 1 1 38 38 MET HG3 H 1 2.158 0.014 . 1 . . . . . . . . 6953 1 395 . 1 1 38 38 MET HE1 H 1 1.974 0.008 . 1 . . . . . . . . 6953 1 396 . 1 1 38 38 MET HE2 H 1 1.974 0.008 . 1 . . . . . . . . 6953 1 397 . 1 1 38 38 MET HE3 H 1 1.974 0.008 . 1 . . . . . . . . 6953 1 398 . 1 1 38 38 MET C C 13 173.112 0.041 . 1 . . . . . . . . 6953 1 399 . 1 1 38 38 MET CA C 13 54.019 0.168 . 1 . . . . . . . . 6953 1 400 . 1 1 38 38 MET CB C 13 34.641 0.284 . 1 . . . . . . . . 6953 1 401 . 1 1 38 38 MET CG C 13 32.053 0.288 . 1 . . . . . . . . 6953 1 402 . 1 1 38 38 MET CE C 13 17.569 0.020 . 1 . . . . . . . . 6953 1 403 . 1 1 38 38 MET N N 15 121.522 0.035 . 1 . . . . . . . . 6953 1 404 . 1 1 39 39 LEU H H 1 8.042 0.006 . 1 . . . . . . . . 6953 1 405 . 1 1 39 39 LEU HA H 1 4.527 0.017 . 1 . . . . . . . . 6953 1 406 . 1 1 39 39 LEU HB2 H 1 1.690 0.274 . 1 . . . . . . . . 6953 1 407 . 1 1 39 39 LEU HB3 H 1 1.320 0.687 . 1 . . . . . . . . 6953 1 408 . 1 1 39 39 LEU HG H 1 1.400 0.014 . 1 . . . . . . . . 6953 1 409 . 1 1 39 39 LEU HD11 H 1 0.626 0.074 . 1 . . . . . . . . 6953 1 410 . 1 1 39 39 LEU HD12 H 1 0.626 0.074 . 1 . . . . . . . . 6953 1 411 . 1 1 39 39 LEU HD13 H 1 0.626 0.074 . 1 . . . . . . . . 6953 1 412 . 1 1 39 39 LEU HD21 H 1 0.005 0.008 . 1 . . . . . . . . 6953 1 413 . 1 1 39 39 LEU HD22 H 1 0.005 0.008 . 1 . . . . . . . . 6953 1 414 . 1 1 39 39 LEU HD23 H 1 0.005 0.008 . 1 . . . . . . . . 6953 1 415 . 1 1 39 39 LEU C C 13 178.160 0.010 . 1 . . . . . . . . 6953 1 416 . 1 1 39 39 LEU CA C 13 53.747 0.206 . 1 . . . . . . . . 6953 1 417 . 1 1 39 39 LEU CB C 13 43.870 0.261 . 1 . . . . . . . . 6953 1 418 . 1 1 39 39 LEU CG C 13 26.177 0.180 . 1 . . . . . . . . 6953 1 419 . 1 1 39 39 LEU CD1 C 13 26.085 0.211 . 1 . . . . . . . . 6953 1 420 . 1 1 39 39 LEU CD2 C 13 22.127 0.209 . 1 . . . . . . . . 6953 1 421 . 1 1 39 39 LEU N N 15 121.479 0.031 . 1 . . . . . . . . 6953 1 422 . 1 1 40 40 GLY H H 1 9.347 0.008 . 1 . . . . . . . . 6953 1 423 . 1 1 40 40 GLY HA2 H 1 4.432 0.015 . 1 . . . . . . . . 6953 1 424 . 1 1 40 40 GLY HA3 H 1 4.453 0.005 . 1 . . . . . . . . 6953 1 425 . 1 1 40 40 GLY C C 13 172.969 0.040 . 1 . . . . . . . . 6953 1 426 . 1 1 40 40 GLY CA C 13 45.340 0.120 . 1 . . . . . . . . 6953 1 427 . 1 1 40 40 GLY N N 15 115.072 0.043 . 1 . . . . . . . . 6953 1 428 . 1 1 41 41 SER H H 1 8.351 0.008 . 1 . . . . . . . . 6953 1 429 . 1 1 41 41 SER HA H 1 4.409 0.005 . 1 . . . . . . . . 6953 1 430 . 1 1 41 41 SER HB2 H 1 3.949 0.023 . 1 . . . . . . . . 6953 1 431 . 1 1 41 41 SER HB3 H 1 3.901 0.006 . 1 . . . . . . . . 6953 1 432 . 1 1 41 41 SER C C 13 174.534 0.010 . 1 . . . . . . . . 6953 1 433 . 1 1 41 41 SER CA C 13 58.722 0.140 . 1 . . . . . . . . 6953 1 434 . 1 1 41 41 SER CB C 13 64.171 0.133 . 1 . . . . . . . . 6953 1 435 . 1 1 41 41 SER N N 15 113.680 0.025 . 1 . . . . . . . . 6953 1 436 . 1 1 42 42 ALA H H 1 8.606 0.003 . 1 . . . . . . . . 6953 1 437 . 1 1 42 42 ALA HA H 1 4.387 0.008 . 1 . . . . . . . . 6953 1 438 . 1 1 42 42 ALA HB1 H 1 1.267 0.016 . 1 . . . . . . . . 6953 1 439 . 1 1 42 42 ALA HB2 H 1 1.267 0.016 . 1 . . . . . . . . 6953 1 440 . 1 1 42 42 ALA HB3 H 1 1.267 0.016 . 1 . . . . . . . . 6953 1 441 . 1 1 42 42 ALA C C 13 177.606 0.004 . 1 . . . . . . . . 6953 1 442 . 1 1 42 42 ALA CA C 13 53.195 0.194 . 1 . . . . . . . . 6953 1 443 . 1 1 42 42 ALA CB C 13 18.713 0.209 . 1 . . . . . . . . 6953 1 444 . 1 1 42 42 ALA N N 15 124.942 0.029 . 1 . . . . . . . . 6953 1 445 . 1 1 43 43 MET H H 1 8.821 0.005 . 1 . . . . . . . . 6953 1 446 . 1 1 43 43 MET HA H 1 4.742 0.010 . 1 . . . . . . . . 6953 1 447 . 1 1 43 43 MET HB2 H 1 2.083 0.014 . 1 . . . . . . . . 6953 1 448 . 1 1 43 43 MET HB3 H 1 1.965 0.014 . 1 . . . . . . . . 6953 1 449 . 1 1 43 43 MET HG2 H 1 2.528 0.016 . 1 . . . . . . . . 6953 1 450 . 1 1 43 43 MET HG3 H 1 2.457 0.010 . 1 . . . . . . . . 6953 1 451 . 1 1 43 43 MET HE1 H 1 1.895 0.009 . 1 . . . . . . . . 6953 1 452 . 1 1 43 43 MET HE2 H 1 1.895 0.009 . 1 . . . . . . . . 6953 1 453 . 1 1 43 43 MET HE3 H 1 1.895 0.009 . 1 . . . . . . . . 6953 1 454 . 1 1 43 43 MET C C 13 175.869 0.004 . 1 . . . . . . . . 6953 1 455 . 1 1 43 43 MET CA C 13 54.200 0.179 . 1 . . . . . . . . 6953 1 456 . 1 1 43 43 MET CB C 13 37.001 0.141 . 1 . . . . . . . . 6953 1 457 . 1 1 43 43 MET CG C 13 31.631 0.188 . 1 . . . . . . . . 6953 1 458 . 1 1 43 43 MET CE C 13 17.133 0.006 . 1 . . . . . . . . 6953 1 459 . 1 1 43 43 MET N N 15 121.821 0.040 . 1 . . . . . . . . 6953 1 460 . 1 1 44 44 SER H H 1 8.435 0.003 . 1 . . . . . . . . 6953 1 461 . 1 1 44 44 SER HA H 1 4.350 0.009 . 1 . . . . . . . . 6953 1 462 . 1 1 44 44 SER HB2 H 1 3.749 0.004 . 1 . . . . . . . . 6953 1 463 . 1 1 44 44 SER HB3 H 1 3.796 0.017 . 1 . . . . . . . . 6953 1 464 . 1 1 44 44 SER C C 13 174.452 0.001 . 1 . . . . . . . . 6953 1 465 . 1 1 44 44 SER CA C 13 58.852 0.192 . 1 . . . . . . . . 6953 1 466 . 1 1 44 44 SER CB C 13 63.267 0.144 . 1 . . . . . . . . 6953 1 467 . 1 1 44 44 SER N N 15 116.423 0.078 . 1 . . . . . . . . 6953 1 468 . 1 1 45 45 ARG H H 1 8.595 0.006 . 1 . . . . . . . . 6953 1 469 . 1 1 45 45 ARG HA H 1 4.393 0.015 . 1 . . . . . . . . 6953 1 470 . 1 1 45 45 ARG HB2 H 1 1.865 0.015 . 1 . . . . . . . . 6953 1 471 . 1 1 45 45 ARG HB3 H 1 1.865 0.015 . 1 . . . . . . . . 6953 1 472 . 1 1 45 45 ARG HG2 H 1 1.693 0.012 . 1 . . . . . . . . 6953 1 473 . 1 1 45 45 ARG HG3 H 1 1.629 0.001 . 1 . . . . . . . . 6953 1 474 . 1 1 45 45 ARG HD2 H 1 3.047 0.023 . 1 . . . . . . . . 6953 1 475 . 1 1 45 45 ARG HD3 H 1 3.141 0.016 . 1 . . . . . . . . 6953 1 476 . 1 1 45 45 ARG HE H 1 8.611 0.001 . 1 . . . . . . . . 6953 1 477 . 1 1 45 45 ARG C C 13 175.010 0.005 . 1 . . . . . . . . 6953 1 478 . 1 1 45 45 ARG CA C 13 55.277 0.142 . 1 . . . . . . . . 6953 1 479 . 1 1 45 45 ARG CB C 13 29.247 0.054 . 1 . . . . . . . . 6953 1 480 . 1 1 45 45 ARG CG C 13 27.366 0.023 . 1 . . . . . . . . 6953 1 481 . 1 1 45 45 ARG CD C 13 44.228 0.269 . 1 . . . . . . . . 6953 1 482 . 1 1 45 45 ARG N N 15 126.165 0.063 . 1 . . . . . . . . 6953 1 483 . 1 1 45 45 ARG NE N 15 88.066 0.005 . 1 . . . . . . . . 6953 1 484 . 1 1 46 46 PRO HA H 1 4.402 0.021 . 1 . . . . . . . . 6953 1 485 . 1 1 46 46 PRO HB2 H 1 2.251 0.030 . 1 . . . . . . . . 6953 1 486 . 1 1 46 46 PRO HB3 H 1 1.893 0.015 . 1 . . . . . . . . 6953 1 487 . 1 1 46 46 PRO HG2 H 1 1.762 0.019 . 1 . . . . . . . . 6953 1 488 . 1 1 46 46 PRO HG3 H 1 2.042 0.016 . 1 . . . . . . . . 6953 1 489 . 1 1 46 46 PRO HD2 H 1 3.861 0.025 . 1 . . . . . . . . 6953 1 490 . 1 1 46 46 PRO HD3 H 1 3.640 0.008 . 1 . . . . . . . . 6953 1 491 . 1 1 46 46 PRO C C 13 176.239 0.002 . 1 . . . . . . . . 6953 1 492 . 1 1 46 46 PRO CA C 13 62.802 0.204 . 1 . . . . . . . . 6953 1 493 . 1 1 46 46 PRO CB C 13 32.635 0.167 . 1 . . . . . . . . 6953 1 494 . 1 1 46 46 PRO CG C 13 27.942 0.222 . 1 . . . . . . . . 6953 1 495 . 1 1 46 46 PRO CD C 13 51.109 0.068 . 1 . . . . . . . . 6953 1 496 . 1 1 47 47 LEU H H 1 8.667 0.005 . 1 . . . . . . . . 6953 1 497 . 1 1 47 47 LEU HA H 1 4.563 0.006 . 1 . . . . . . . . 6953 1 498 . 1 1 47 47 LEU HB2 H 1 1.656 0.014 . 1 . . . . . . . . 6953 1 499 . 1 1 47 47 LEU HB3 H 1 1.557 0.031 . 1 . . . . . . . . 6953 1 500 . 1 1 47 47 LEU HG H 1 1.607 0.012 . 1 . . . . . . . . 6953 1 501 . 1 1 47 47 LEU HD11 H 1 0.945 0.012 . 1 . . . . . . . . 6953 1 502 . 1 1 47 47 LEU HD12 H 1 0.945 0.012 . 1 . . . . . . . . 6953 1 503 . 1 1 47 47 LEU HD13 H 1 0.945 0.012 . 1 . . . . . . . . 6953 1 504 . 1 1 47 47 LEU HD21 H 1 0.880 0.008 . 1 . . . . . . . . 6953 1 505 . 1 1 47 47 LEU HD22 H 1 0.880 0.008 . 1 . . . . . . . . 6953 1 506 . 1 1 47 47 LEU HD23 H 1 0.880 0.008 . 1 . . . . . . . . 6953 1 507 . 1 1 47 47 LEU C C 13 176.035 0.001 . 1 . . . . . . . . 6953 1 508 . 1 1 47 47 LEU CA C 13 54.592 0.169 . 1 . . . . . . . . 6953 1 509 . 1 1 47 47 LEU CB C 13 40.359 0.220 . 1 . . . . . . . . 6953 1 510 . 1 1 47 47 LEU CG C 13 27.193 0.312 . 1 . . . . . . . . 6953 1 511 . 1 1 47 47 LEU CD1 C 13 24.812 0.183 . 1 . . . . . . . . 6953 1 512 . 1 1 47 47 LEU CD2 C 13 23.847 0.220 . 1 . . . . . . . . 6953 1 513 . 1 1 47 47 LEU N N 15 125.129 0.031 . 1 . . . . . . . . 6953 1 514 . 1 1 48 48 ILE H H 1 6.982 0.004 . 1 . . . . . . . . 6953 1 515 . 1 1 48 48 ILE HA H 1 3.945 0.015 . 1 . . . . . . . . 6953 1 516 . 1 1 48 48 ILE HB H 1 1.177 0.009 . 1 . . . . . . . . 6953 1 517 . 1 1 48 48 ILE HG12 H 1 0.712 0.016 . 1 . . . . . . . . 6953 1 518 . 1 1 48 48 ILE HG13 H 1 0.888 0.018 . 1 . . . . . . . . 6953 1 519 . 1 1 48 48 ILE HG21 H 1 0.052 0.009 . 1 . . . . . . . . 6953 1 520 . 1 1 48 48 ILE HG22 H 1 0.052 0.009 . 1 . . . . . . . . 6953 1 521 . 1 1 48 48 ILE HG23 H 1 0.052 0.009 . 1 . . . . . . . . 6953 1 522 . 1 1 48 48 ILE HD11 H 1 0.413 0.009 . 1 . . . . . . . . 6953 1 523 . 1 1 48 48 ILE HD12 H 1 0.413 0.009 . 1 . . . . . . . . 6953 1 524 . 1 1 48 48 ILE HD13 H 1 0.413 0.009 . 1 . . . . . . . . 6953 1 525 . 1 1 48 48 ILE C C 13 173.821 0.045 . 1 . . . . . . . . 6953 1 526 . 1 1 48 48 ILE CA C 13 59.698 0.178 . 1 . . . . . . . . 6953 1 527 . 1 1 48 48 ILE CB C 13 39.877 0.255 . 1 . . . . . . . . 6953 1 528 . 1 1 48 48 ILE CG1 C 13 26.909 0.298 . 1 . . . . . . . . 6953 1 529 . 1 1 48 48 ILE CG2 C 13 17.220 0.264 . 1 . . . . . . . . 6953 1 530 . 1 1 48 48 ILE CD1 C 13 13.400 0.295 . 1 . . . . . . . . 6953 1 531 . 1 1 48 48 ILE N N 15 122.414 0.033 . 1 . . . . . . . . 6953 1 532 . 1 1 49 49 HIS H H 1 8.301 0.003 . 1 . . . . . . . . 6953 1 533 . 1 1 49 49 HIS HA H 1 4.937 0.005 . 1 . . . . . . . . 6953 1 534 . 1 1 49 49 HIS HB2 H 1 3.286 0.008 . 1 . . . . . . . . 6953 1 535 . 1 1 49 49 HIS HB3 H 1 2.979 0.008 . 1 . . . . . . . . 6953 1 536 . 1 1 49 49 HIS HD1 H 1 12.479 0.002 . 1 . . . . . . . . 6953 1 537 . 1 1 49 49 HIS HD2 H 1 7.397 0.012 . 1 . . . . . . . . 6953 1 538 . 1 1 49 49 HIS HE1 H 1 7.168 0.020 . 1 . . . . . . . . 6953 1 539 . 1 1 49 49 HIS HE2 H 1 6.577 0.003 . 1 . . . . . . . . 6953 1 540 . 1 1 49 49 HIS C C 13 174.696 0.010 . 1 . . . . . . . . 6953 1 541 . 1 1 49 49 HIS CA C 13 54.351 0.189 . 1 . . . . . . . . 6953 1 542 . 1 1 49 49 HIS CB C 13 29.752 0.273 . 1 . . . . . . . . 6953 1 543 . 1 1 49 49 HIS N N 15 122.092 0.068 . 1 . . . . . . . . 6953 1 544 . 1 1 50 50 PHE H H 1 10.329 0.014 . 1 . . . . . . . . 6953 1 545 . 1 1 50 50 PHE HA H 1 4.234 0.019 . 1 . . . . . . . . 6953 1 546 . 1 1 50 50 PHE HB2 H 1 3.357 0.009 . 1 . . . . . . . . 6953 1 547 . 1 1 50 50 PHE HB3 H 1 2.859 0.015 . 1 . . . . . . . . 6953 1 548 . 1 1 50 50 PHE HD1 H 1 7.380 0.004 . 1 . . . . . . . . 6953 1 549 . 1 1 50 50 PHE HD2 H 1 7.380 0.004 . 1 . . . . . . . . 6953 1 550 . 1 1 50 50 PHE HE2 H 1 6.934 0.012 . 3 . . . . . . . . 6953 1 551 . 1 1 50 50 PHE HZ H 1 7.284 0.009 . 1 . . . . . . . . 6953 1 552 . 1 1 50 50 PHE C C 13 177.007 0.020 . 1 . . . . . . . . 6953 1 553 . 1 1 50 50 PHE CA C 13 60.081 0.162 . 1 . . . . . . . . 6953 1 554 . 1 1 50 50 PHE CB C 13 40.587 0.220 . 1 . . . . . . . . 6953 1 555 . 1 1 50 50 PHE N N 15 125.282 0.041 . 1 . . . . . . . . 6953 1 556 . 1 1 51 51 GLY H H 1 9.019 0.007 . 1 . . . . . . . . 6953 1 557 . 1 1 51 51 GLY HA2 H 1 4.125 0.008 . 1 . . . . . . . . 6953 1 558 . 1 1 51 51 GLY HA3 H 1 3.740 0.011 . 1 . . . . . . . . 6953 1 559 . 1 1 51 51 GLY C C 13 173.318 0.051 . 1 . . . . . . . . 6953 1 560 . 1 1 51 51 GLY CA C 13 45.860 0.130 . 1 . . . . . . . . 6953 1 561 . 1 1 51 51 GLY N N 15 108.876 0.044 . 1 . . . . . . . . 6953 1 562 . 1 1 52 52 ASN H H 1 7.248 0.008 . 1 . . . . . . . . 6953 1 563 . 1 1 52 52 ASN HA H 1 4.863 0.019 . 1 . . . . . . . . 6953 1 564 . 1 1 52 52 ASN HB2 H 1 2.815 0.014 . 1 . . . . . . . . 6953 1 565 . 1 1 52 52 ASN HB3 H 1 2.831 0.013 . 1 . . . . . . . . 6953 1 566 . 1 1 52 52 ASN HD21 H 1 7.545 0.010 . 1 . . . . . . . . 6953 1 567 . 1 1 52 52 ASN HD22 H 1 6.818 0.020 . 1 . . . . . . . . 6953 1 568 . 1 1 52 52 ASN C C 13 174.269 0.036 . 1 . . . . . . . . 6953 1 569 . 1 1 52 52 ASN CA C 13 52.760 0.148 . 1 . . . . . . . . 6953 1 570 . 1 1 52 52 ASN CB C 13 41.651 0.182 . 1 . . . . . . . . 6953 1 571 . 1 1 52 52 ASN N N 15 114.641 0.047 . 1 . . . . . . . . 6953 1 572 . 1 1 52 52 ASN ND2 N 15 112.647 0.037 . 1 . . . . . . . . 6953 1 573 . 1 1 53 53 ASP H H 1 8.964 0.007 . 1 . . . . . . . . 6953 1 574 . 1 1 53 53 ASP HA H 1 4.433 0.009 . 1 . . . . . . . . 6953 1 575 . 1 1 53 53 ASP HB2 H 1 2.942 0.020 . 1 . . . . . . . . 6953 1 576 . 1 1 53 53 ASP HB3 H 1 2.737 0.023 . 1 . . . . . . . . 6953 1 577 . 1 1 53 53 ASP C C 13 177.699 0.040 . 1 . . . . . . . . 6953 1 578 . 1 1 53 53 ASP CA C 13 58.005 0.200 . 1 . . . . . . . . 6953 1 579 . 1 1 53 53 ASP CB C 13 41.361 0.239 . 1 . . . . . . . . 6953 1 580 . 1 1 53 53 ASP N N 15 123.681 0.095 . 1 . . . . . . . . 6953 1 581 . 1 1 54 54 TYR H H 1 8.362 0.002 . 1 . . . . . . . . 6953 1 582 . 1 1 54 54 TYR HA H 1 4.217 0.019 . 1 . . . . . . . . 6953 1 583 . 1 1 54 54 TYR HB2 H 1 3.236 0.007 . 1 . . . . . . . . 6953 1 584 . 1 1 54 54 TYR HB3 H 1 3.049 0.008 . 1 . . . . . . . . 6953 1 585 . 1 1 54 54 TYR HD1 H 1 7.081 0.017 . 1 . . . . . . . . 6953 1 586 . 1 1 54 54 TYR HD2 H 1 7.081 0.017 . 1 . . . . . . . . 6953 1 587 . 1 1 54 54 TYR HE1 H 1 6.692 0.009 . 3 . . . . . . . . 6953 1 588 . 1 1 54 54 TYR C C 13 178.055 0.040 . 1 . . . . . . . . 6953 1 589 . 1 1 54 54 TYR CA C 13 61.830 0.238 . 1 . . . . . . . . 6953 1 590 . 1 1 54 54 TYR CB C 13 37.940 0.153 . 1 . . . . . . . . 6953 1 591 . 1 1 54 54 TYR N N 15 120.234 0.082 . 1 . . . . . . . . 6953 1 592 . 1 1 55 55 GLU H H 1 8.317 0.007 . 1 . . . . . . . . 6953 1 593 . 1 1 55 55 GLU HB2 H 1 1.890 0.016 . 1 . . . . . . . . 6953 1 594 . 1 1 55 55 GLU HB3 H 1 1.384 0.007 . 1 . . . . . . . . 6953 1 595 . 1 1 55 55 GLU HG2 H 1 2.484 0.014 . 1 . . . . . . . . 6953 1 596 . 1 1 55 55 GLU HG3 H 1 1.853 0.008 . 1 . . . . . . . . 6953 1 597 . 1 1 55 55 GLU C C 13 177.930 0.007 . 1 . . . . . . . . 6953 1 598 . 1 1 55 55 GLU CA C 13 60.144 0.226 . 1 . . . . . . . . 6953 1 599 . 1 1 55 55 GLU CB C 13 30.020 0.134 . 1 . . . . . . . . 6953 1 600 . 1 1 55 55 GLU CG C 13 38.506 0.244 . 1 . . . . . . . . 6953 1 601 . 1 1 55 55 GLU N N 15 119.668 0.028 . 1 . . . . . . . . 6953 1 602 . 1 1 56 56 ASP H H 1 8.023 0.010 . 1 . . . . . . . . 6953 1 603 . 1 1 56 56 ASP HA H 1 4.679 0.008 . 1 . . . . . . . . 6953 1 604 . 1 1 56 56 ASP HB2 H 1 2.944 0.018 . 1 . . . . . . . . 6953 1 605 . 1 1 56 56 ASP HB3 H 1 2.733 0.013 . 1 . . . . . . . . 6953 1 606 . 1 1 56 56 ASP C C 13 179.073 0.005 . 1 . . . . . . . . 6953 1 607 . 1 1 56 56 ASP CA C 13 58.932 0.222 . 1 . . . . . . . . 6953 1 608 . 1 1 56 56 ASP CB C 13 41.291 0.220 . 1 . . . . . . . . 6953 1 609 . 1 1 56 56 ASP N N 15 118.344 0.053 . 1 . . . . . . . . 6953 1 610 . 1 1 57 57 ARG H H 1 8.079 0.008 . 1 . . . . . . . . 6953 1 611 . 1 1 57 57 ARG HA H 1 4.006 0.015 . 1 . . . . . . . . 6953 1 612 . 1 1 57 57 ARG HB2 H 1 1.920 0.011 . 1 . . . . . . . . 6953 1 613 . 1 1 57 57 ARG HB3 H 1 1.832 0.002 . 1 . . . . . . . . 6953 1 614 . 1 1 57 57 ARG HG2 H 1 1.741 0.014 . 1 . . . . . . . . 6953 1 615 . 1 1 57 57 ARG HG3 H 1 1.542 0.020 . 1 . . . . . . . . 6953 1 616 . 1 1 57 57 ARG HD2 H 1 3.220 0.011 . 1 . . . . . . . . 6953 1 617 . 1 1 57 57 ARG HD3 H 1 3.178 0.015 . 1 . . . . . . . . 6953 1 618 . 1 1 57 57 ARG HE H 1 7.236 0.076 . 1 . . . . . . . . 6953 1 619 . 1 1 57 57 ARG C C 13 177.677 0.001 . 1 . . . . . . . . 6953 1 620 . 1 1 57 57 ARG CA C 13 59.728 0.262 . 1 . . . . . . . . 6953 1 621 . 1 1 57 57 ARG CB C 13 30.135 0.202 . 1 . . . . . . . . 6953 1 622 . 1 1 57 57 ARG CG C 13 27.839 0.300 . 1 . . . . . . . . 6953 1 623 . 1 1 57 57 ARG CD C 13 43.566 0.250 . 1 . . . . . . . . 6953 1 624 . 1 1 57 57 ARG N N 15 120.151 0.045 . 1 . . . . . . . . 6953 1 625 . 1 1 57 57 ARG NE N 15 87.333 0.397 . 1 . . . . . . . . 6953 1 626 . 1 1 58 58 TYR H H 1 8.443 0.005 . 1 . . . . . . . . 6953 1 627 . 1 1 58 58 TYR HA H 1 3.847 0.012 . 1 . . . . . . . . 6953 1 628 . 1 1 58 58 TYR HB2 H 1 2.767 0.027 . 1 . . . . . . . . 6953 1 629 . 1 1 58 58 TYR HB3 H 1 2.583 0.017 . 1 . . . . . . . . 6953 1 630 . 1 1 58 58 TYR HD1 H 1 6.875 0.003 . 1 . . . . . . . . 6953 1 631 . 1 1 58 58 TYR HD2 H 1 6.858 0.010 . 1 . . . . . . . . 6953 1 632 . 1 1 58 58 TYR HE1 H 1 6.897 0.020 . 3 . . . . . . . . 6953 1 633 . 1 1 58 58 TYR C C 13 179.693 0.050 . 1 . . . . . . . . 6953 1 634 . 1 1 58 58 TYR CA C 13 62.353 0.170 . 1 . . . . . . . . 6953 1 635 . 1 1 58 58 TYR CB C 13 38.842 0.256 . 1 . . . . . . . . 6953 1 636 . 1 1 58 58 TYR N N 15 121.269 0.055 . 1 . . . . . . . . 6953 1 637 . 1 1 59 59 TYR H H 1 8.830 0.009 . 1 . . . . . . . . 6953 1 638 . 1 1 59 59 TYR HA H 1 4.250 0.024 . 1 . . . . . . . . 6953 1 639 . 1 1 59 59 TYR HB2 H 1 3.232 0.009 . 1 . . . . . . . . 6953 1 640 . 1 1 59 59 TYR HB3 H 1 3.048 0.002 . 1 . . . . . . . . 6953 1 641 . 1 1 59 59 TYR HD1 H 1 6.958 0.007 . 1 . . . . . . . . 6953 1 642 . 1 1 59 59 TYR HD2 H 1 6.712 0.016 . 1 . . . . . . . . 6953 1 643 . 1 1 59 59 TYR HE1 H 1 7.009 0.040 . 1 . . . . . . . . 6953 1 644 . 1 1 59 59 TYR HE2 H 1 7.340 0.002 . 1 . . . . . . . . 6953 1 645 . 1 1 59 59 TYR HH H 1 6.936 0.017 . 1 . . . . . . . . 6953 1 646 . 1 1 59 59 TYR C C 13 176.497 0.005 . 1 . . . . . . . . 6953 1 647 . 1 1 59 59 TYR CA C 13 61.788 0.292 . 1 . . . . . . . . 6953 1 648 . 1 1 59 59 TYR CB C 13 38.459 0.217 . 1 . . . . . . . . 6953 1 649 . 1 1 59 59 TYR N N 15 119.402 0.034 . 1 . . . . . . . . 6953 1 650 . 1 1 60 60 ARG H H 1 7.646 0.006 . 1 . . . . . . . . 6953 1 651 . 1 1 60 60 ARG HA H 1 3.681 0.007 . 1 . . . . . . . . 6953 1 652 . 1 1 60 60 ARG HB2 H 1 1.941 0.014 . 1 . . . . . . . . 6953 1 653 . 1 1 60 60 ARG HB3 H 1 2.181 0.007 . 1 . . . . . . . . 6953 1 654 . 1 1 60 60 ARG HG2 H 1 1.918 0.008 . 1 . . . . . . . . 6953 1 655 . 1 1 60 60 ARG HG3 H 1 1.672 0.013 . 1 . . . . . . . . 6953 1 656 . 1 1 60 60 ARG HD2 H 1 3.271 0.019 . 1 . . . . . . . . 6953 1 657 . 1 1 60 60 ARG HD3 H 1 3.213 0.006 . 1 . . . . . . . . 6953 1 658 . 1 1 60 60 ARG HE H 1 7.443 0.001 . 1 . . . . . . . . 6953 1 659 . 1 1 60 60 ARG C C 13 179.086 0.020 . 1 . . . . . . . . 6953 1 660 . 1 1 60 60 ARG CA C 13 60.075 0.205 . 1 . . . . . . . . 6953 1 661 . 1 1 60 60 ARG CB C 13 29.957 0.204 . 1 . . . . . . . . 6953 1 662 . 1 1 60 60 ARG CG C 13 28.367 0.328 . 1 . . . . . . . . 6953 1 663 . 1 1 60 60 ARG CD C 13 43.497 0.241 . 1 . . . . . . . . 6953 1 664 . 1 1 60 60 ARG N N 15 116.787 0.050 . 1 . . . . . . . . 6953 1 665 . 1 1 60 60 ARG NE N 15 85.243 0.093 . 1 . . . . . . . . 6953 1 666 . 1 1 61 61 GLU H H 1 7.960 0.008 . 1 . . . . . . . . 6953 1 667 . 1 1 61 61 GLU HA H 1 4.081 0.018 . 1 . . . . . . . . 6953 1 668 . 1 1 61 61 GLU HB2 H 1 1.983 0.008 . 1 . . . . . . . . 6953 1 669 . 1 1 61 61 GLU HB3 H 1 2.244 0.006 . 1 . . . . . . . . 6953 1 670 . 1 1 61 61 GLU HG2 H 1 2.194 0.009 . 1 . . . . . . . . 6953 1 671 . 1 1 61 61 GLU HG3 H 1 2.406 0.030 . 1 . . . . . . . . 6953 1 672 . 1 1 61 61 GLU C C 13 177.517 0.014 . 1 . . . . . . . . 6953 1 673 . 1 1 61 61 GLU CA C 13 57.881 0.146 . 1 . . . . . . . . 6953 1 674 . 1 1 61 61 GLU CB C 13 30.152 0.174 . 1 . . . . . . . . 6953 1 675 . 1 1 61 61 GLU CG C 13 36.742 0.361 . 1 . . . . . . . . 6953 1 676 . 1 1 61 61 GLU N N 15 115.681 0.035 . 1 . . . . . . . . 6953 1 677 . 1 1 62 62 ASN H H 1 7.561 0.012 . 1 . . . . . . . . 6953 1 678 . 1 1 62 62 ASN HA H 1 4.597 0.018 . 1 . . . . . . . . 6953 1 679 . 1 1 62 62 ASN HB2 H 1 2.337 0.019 . 1 . . . . . . . . 6953 1 680 . 1 1 62 62 ASN HB3 H 1 2.273 0.015 . 1 . . . . . . . . 6953 1 681 . 1 1 62 62 ASN HD21 H 1 6.760 0.013 . 1 . . . . . . . . 6953 1 682 . 1 1 62 62 ASN HD22 H 1 6.560 0.022 . 1 . . . . . . . . 6953 1 683 . 1 1 62 62 ASN C C 13 175.389 0.041 . 1 . . . . . . . . 6953 1 684 . 1 1 62 62 ASN CA C 13 54.763 0.247 . 1 . . . . . . . . 6953 1 685 . 1 1 62 62 ASN CB C 13 41.285 0.267 . 1 . . . . . . . . 6953 1 686 . 1 1 62 62 ASN N N 15 115.337 0.082 . 1 . . . . . . . . 6953 1 687 . 1 1 62 62 ASN ND2 N 15 116.930 0.073 . 1 . . . . . . . . 6953 1 688 . 1 1 63 63 MET H H 1 7.512 0.008 . 1 . . . . . . . . 6953 1 689 . 1 1 63 63 MET HA H 1 3.686 0.009 . 1 . . . . . . . . 6953 1 690 . 1 1 63 63 MET HB2 H 1 1.710 0.010 . 1 . . . . . . . . 6953 1 691 . 1 1 63 63 MET HB3 H 1 1.892 0.012 . 1 . . . . . . . . 6953 1 692 . 1 1 63 63 MET HG2 H 1 2.576 0.003 . 1 . . . . . . . . 6953 1 693 . 1 1 63 63 MET HG3 H 1 2.139 0.012 . 1 . . . . . . . . 6953 1 694 . 1 1 63 63 MET HE1 H 1 1.831 0.007 . 1 . . . . . . . . 6953 1 695 . 1 1 63 63 MET HE2 H 1 1.831 0.007 . 1 . . . . . . . . 6953 1 696 . 1 1 63 63 MET HE3 H 1 1.831 0.007 . 1 . . . . . . . . 6953 1 697 . 1 1 63 63 MET C C 13 176.387 0.022 . 1 . . . . . . . . 6953 1 698 . 1 1 63 63 MET CA C 13 60.047 0.186 . 1 . . . . . . . . 6953 1 699 . 1 1 63 63 MET CB C 13 32.692 0.093 . 1 . . . . . . . . 6953 1 700 . 1 1 63 63 MET CG C 13 31.404 0.498 . 1 . . . . . . . . 6953 1 701 . 1 1 63 63 MET CE C 13 17.177 0.021 . 1 . . . . . . . . 6953 1 702 . 1 1 63 63 MET N N 15 118.894 0.053 . 1 . . . . . . . . 6953 1 703 . 1 1 64 64 TYR H H 1 7.631 0.004 . 1 . . . . . . . . 6953 1 704 . 1 1 64 64 TYR HA H 1 4.238 0.015 . 1 . . . . . . . . 6953 1 705 . 1 1 64 64 TYR HB2 H 1 3.037 0.022 . 1 . . . . . . . . 6953 1 706 . 1 1 64 64 TYR HB3 H 1 2.961 0.013 . 1 . . . . . . . . 6953 1 707 . 1 1 64 64 TYR HD1 H 1 7.085 0.007 . 1 . . . . . . . . 6953 1 708 . 1 1 64 64 TYR HD2 H 1 7.085 0.007 . 1 . . . . . . . . 6953 1 709 . 1 1 64 64 TYR HE1 H 1 6.920 0.024 . 1 . . . . . . . . 6953 1 710 . 1 1 64 64 TYR HE2 H 1 7.328 0.008 . 1 . . . . . . . . 6953 1 711 . 1 1 64 64 TYR C C 13 176.222 0.269 . 1 . . . . . . . . 6953 1 712 . 1 1 64 64 TYR CA C 13 59.450 0.196 . 1 . . . . . . . . 6953 1 713 . 1 1 64 64 TYR CB C 13 36.740 0.093 . 1 . . . . . . . . 6953 1 714 . 1 1 64 64 TYR CD1 C 13 131.373 0.050 . 1 . . . . . . . . 6953 1 715 . 1 1 64 64 TYR CD2 C 13 131.373 0.060 . 1 . . . . . . . . 6953 1 716 . 1 1 64 64 TYR N N 15 114.704 0.060 . 1 . . . . . . . . 6953 1 717 . 1 1 65 65 ARG H H 1 7.605 0.003 . 1 . . . . . . . . 6953 1 718 . 1 1 65 65 ARG HA H 1 4.043 0.023 . 1 . . . . . . . . 6953 1 719 . 1 1 65 65 ARG HB2 H 1 1.817 0.011 . 1 . . . . . . . . 6953 1 720 . 1 1 65 65 ARG HB3 H 1 1.940 0.015 . 1 . . . . . . . . 6953 1 721 . 1 1 65 65 ARG HG2 H 1 1.285 0.026 . 1 . . . . . . . . 6953 1 722 . 1 1 65 65 ARG HG3 H 1 1.551 0.027 . 1 . . . . . . . . 6953 1 723 . 1 1 65 65 ARG HD2 H 1 3.093 0.028 . 1 . . . . . . . . 6953 1 724 . 1 1 65 65 ARG HD3 H 1 3.212 0.009 . 1 . . . . . . . . 6953 1 725 . 1 1 65 65 ARG HE H 1 6.887 0.011 . 1 . . . . . . . . 6953 1 726 . 1 1 65 65 ARG C C 13 176.600 0.040 . 1 . . . . . . . . 6953 1 727 . 1 1 65 65 ARG CA C 13 56.772 0.206 . 1 . . . . . . . . 6953 1 728 . 1 1 65 65 ARG CB C 13 30.933 0.116 . 1 . . . . . . . . 6953 1 729 . 1 1 65 65 ARG CG C 13 27.561 0.073 . 1 . . . . . . . . 6953 1 730 . 1 1 65 65 ARG CD C 13 44.447 0.318 . 1 . . . . . . . . 6953 1 731 . 1 1 65 65 ARG N N 15 118.829 0.056 . 1 . . . . . . . . 6953 1 732 . 1 1 65 65 ARG NE N 15 85.686 0.017 . 1 . . . . . . . . 6953 1 733 . 1 1 66 66 TYR H H 1 7.341 0.009 . 1 . . . . . . . . 6953 1 734 . 1 1 66 66 TYR HA H 1 4.991 0.063 . 1 . . . . . . . . 6953 1 735 . 1 1 66 66 TYR HB2 H 1 3.209 0.028 . 1 . . . . . . . . 6953 1 736 . 1 1 66 66 TYR HB3 H 1 3.049 0.032 . 1 . . . . . . . . 6953 1 737 . 1 1 66 66 TYR HD1 H 1 7.041 0.019 . 1 . . . . . . . . 6953 1 738 . 1 1 66 66 TYR HD2 H 1 7.334 0.002 . 1 . . . . . . . . 6953 1 739 . 1 1 66 66 TYR HE1 H 1 7.829 0.018 . 1 . . . . . . . . 6953 1 740 . 1 1 66 66 TYR HE2 H 1 7.023 0.004 . 1 . . . . . . . . 6953 1 741 . 1 1 66 66 TYR C C 13 172.971 0.040 . 1 . . . . . . . . 6953 1 742 . 1 1 66 66 TYR CA C 13 54.053 0.172 . 1 . . . . . . . . 6953 1 743 . 1 1 66 66 TYR CB C 13 36.100 0.230 . 1 . . . . . . . . 6953 1 744 . 1 1 66 66 TYR N N 15 119.883 0.077 . 1 . . . . . . . . 6953 1 745 . 1 1 67 67 PRO HA H 1 4.414 0.021 . 1 . . . . . . . . 6953 1 746 . 1 1 67 67 PRO HB2 H 1 2.304 0.012 . 1 . . . . . . . . 6953 1 747 . 1 1 67 67 PRO HB3 H 1 1.906 0.013 . 1 . . . . . . . . 6953 1 748 . 1 1 67 67 PRO HG2 H 1 1.759 0.018 . 1 . . . . . . . . 6953 1 749 . 1 1 67 67 PRO HG3 H 1 2.040 0.012 . 1 . . . . . . . . 6953 1 750 . 1 1 67 67 PRO HD2 H 1 3.641 0.009 . 1 . . . . . . . . 6953 1 751 . 1 1 67 67 PRO HD3 H 1 3.829 0.011 . 1 . . . . . . . . 6953 1 752 . 1 1 67 67 PRO C C 13 175.091 0.020 . 1 . . . . . . . . 6953 1 753 . 1 1 67 67 PRO CA C 13 63.638 0.200 . 1 . . . . . . . . 6953 1 754 . 1 1 67 67 PRO CB C 13 32.622 0.101 . 1 . . . . . . . . 6953 1 755 . 1 1 67 67 PRO CG C 13 28.023 0.191 . 1 . . . . . . . . 6953 1 756 . 1 1 67 67 PRO CD C 13 50.957 0.217 . 1 . . . . . . . . 6953 1 757 . 1 1 68 68 ASN H H 1 8.507 0.012 . 1 . . . . . . . . 6953 1 758 . 1 1 68 68 ASN HA H 1 4.719 0.012 . 1 . . . . . . . . 6953 1 759 . 1 1 68 68 ASN HB2 H 1 2.438 0.017 . 1 . . . . . . . . 6953 1 760 . 1 1 68 68 ASN HB3 H 1 3.650 0.017 . 1 . . . . . . . . 6953 1 761 . 1 1 68 68 ASN HD21 H 1 6.870 0.003 . 1 . . . . . . . . 6953 1 762 . 1 1 68 68 ASN HD22 H 1 7.495 0.010 . 1 . . . . . . . . 6953 1 763 . 1 1 68 68 ASN C C 13 172.919 0.030 . 1 . . . . . . . . 6953 1 764 . 1 1 68 68 ASN CA C 13 52.149 0.210 . 1 . . . . . . . . 6953 1 765 . 1 1 68 68 ASN CB C 13 38.652 0.295 . 1 . . . . . . . . 6953 1 766 . 1 1 68 68 ASN N N 15 115.910 0.045 . 1 . . . . . . . . 6953 1 767 . 1 1 68 68 ASN ND2 N 15 112.182 0.027 . 1 . . . . . . . . 6953 1 768 . 1 1 69 69 GLN H H 1 7.204 0.006 . 1 . . . . . . . . 6953 1 769 . 1 1 69 69 GLN HA H 1 4.584 0.015 . 1 . . . . . . . . 6953 1 770 . 1 1 69 69 GLN HB2 H 1 2.000 0.015 . 1 . . . . . . . . 6953 1 771 . 1 1 69 69 GLN HB3 H 1 2.151 0.010 . 1 . . . . . . . . 6953 1 772 . 1 1 69 69 GLN HG2 H 1 2.381 0.013 . 1 . . . . . . . . 6953 1 773 . 1 1 69 69 GLN HG3 H 1 2.381 0.013 . 1 . . . . . . . . 6953 1 774 . 1 1 69 69 GLN HE21 H 1 6.779 0.008 . 1 . . . . . . . . 6953 1 775 . 1 1 69 69 GLN HE22 H 1 7.327 0.020 . 1 . . . . . . . . 6953 1 776 . 1 1 69 69 GLN C C 13 175.112 0.020 . 1 . . . . . . . . 6953 1 777 . 1 1 69 69 GLN CA C 13 54.425 0.182 . 1 . . . . . . . . 6953 1 778 . 1 1 69 69 GLN CB C 13 34.433 0.232 . 1 . . . . . . . . 6953 1 779 . 1 1 69 69 GLN CG C 13 33.511 0.044 . 1 . . . . . . . . 6953 1 780 . 1 1 69 69 GLN N N 15 114.228 0.070 . 1 . . . . . . . . 6953 1 781 . 1 1 69 69 GLN NE2 N 15 110.488 0.210 . 1 . . . . . . . . 6953 1 782 . 1 1 70 70 VAL H H 1 8.510 0.008 . 1 . . . . . . . . 6953 1 783 . 1 1 70 70 VAL HA H 1 4.931 0.011 . 1 . . . . . . . . 6953 1 784 . 1 1 70 70 VAL HB H 1 2.612 0.008 . 1 . . . . . . . . 6953 1 785 . 1 1 70 70 VAL HG11 H 1 0.940 0.010 . 1 . . . . . . . . 6953 1 786 . 1 1 70 70 VAL HG12 H 1 0.940 0.010 . 1 . . . . . . . . 6953 1 787 . 1 1 70 70 VAL HG13 H 1 0.940 0.010 . 1 . . . . . . . . 6953 1 788 . 1 1 70 70 VAL HG21 H 1 0.761 0.012 . 1 . . . . . . . . 6953 1 789 . 1 1 70 70 VAL HG22 H 1 0.761 0.012 . 1 . . . . . . . . 6953 1 790 . 1 1 70 70 VAL HG23 H 1 0.761 0.012 . 1 . . . . . . . . 6953 1 791 . 1 1 70 70 VAL C C 13 174.060 0.070 . 1 . . . . . . . . 6953 1 792 . 1 1 70 70 VAL CA C 13 58.943 0.180 . 1 . . . . . . . . 6953 1 793 . 1 1 70 70 VAL CB C 13 34.071 0.259 . 1 . . . . . . . . 6953 1 794 . 1 1 70 70 VAL CG1 C 13 24.098 0.157 . 1 . . . . . . . . 6953 1 795 . 1 1 70 70 VAL CG2 C 13 18.827 0.213 . 1 . . . . . . . . 6953 1 796 . 1 1 70 70 VAL N N 15 112.869 0.058 . 1 . . . . . . . . 6953 1 797 . 1 1 71 71 TYR H H 1 8.425 0.006 . 1 . . . . . . . . 6953 1 798 . 1 1 71 71 TYR HA H 1 5.588 0.017 . 1 . . . . . . . . 6953 1 799 . 1 1 71 71 TYR HB2 H 1 2.605 0.008 . 1 . . . . . . . . 6953 1 800 . 1 1 71 71 TYR HB3 H 1 2.584 0.015 . 1 . . . . . . . . 6953 1 801 . 1 1 71 71 TYR HD1 H 1 6.908 0.019 . 1 . . . . . . . . 6953 1 802 . 1 1 71 71 TYR HD2 H 1 6.679 0.100 . 1 . . . . . . . . 6953 1 803 . 1 1 71 71 TYR HE1 H 1 6.347 0.007 . 1 . . . . . . . . 6953 1 804 . 1 1 71 71 TYR HE2 H 1 6.862 0.015 . 1 . . . . . . . . 6953 1 805 . 1 1 71 71 TYR HH H 1 8.590 0.003 . 1 . . . . . . . . 6953 1 806 . 1 1 71 71 TYR C C 13 174.715 0.236 . 1 . . . . . . . . 6953 1 807 . 1 1 71 71 TYR CA C 13 57.423 0.179 . 1 . . . . . . . . 6953 1 808 . 1 1 71 71 TYR CB C 13 42.373 0.170 . 1 . . . . . . . . 6953 1 809 . 1 1 71 71 TYR N N 15 121.138 0.085 . 1 . . . . . . . . 6953 1 810 . 1 1 72 72 TYR H H 1 8.584 0.007 . 1 . . . . . . . . 6953 1 811 . 1 1 72 72 TYR HA H 1 4.871 0.011 . 1 . . . . . . . . 6953 1 812 . 1 1 72 72 TYR HB2 H 1 2.889 0.015 . 1 . . . . . . . . 6953 1 813 . 1 1 72 72 TYR HB3 H 1 2.709 0.017 . 1 . . . . . . . . 6953 1 814 . 1 1 72 72 TYR HD1 H 1 7.198 0.010 . 3 . . . . . . . . 6953 1 815 . 1 1 72 72 TYR HE1 H 1 6.501 0.013 . 1 . . . . . . . . 6953 1 816 . 1 1 72 72 TYR HE2 H 1 6.677 0.003 . 1 . . . . . . . . 6953 1 817 . 1 1 72 72 TYR C C 13 173.747 0.005 . 1 . . . . . . . . 6953 1 818 . 1 1 72 72 TYR CA C 13 56.385 0.140 . 1 . . . . . . . . 6953 1 819 . 1 1 72 72 TYR CB C 13 40.348 0.147 . 1 . . . . . . . . 6953 1 820 . 1 1 72 72 TYR N N 15 111.198 0.060 . 1 . . . . . . . . 6953 1 821 . 1 1 73 73 ARG H H 1 7.930 0.014 . 1 . . . . . . . . 6953 1 822 . 1 1 73 73 ARG HA H 1 4.633 0.016 . 1 . . . . . . . . 6953 1 823 . 1 1 73 73 ARG HB2 H 1 1.820 0.004 . 1 . . . . . . . . 6953 1 824 . 1 1 73 73 ARG HB3 H 1 1.995 0.004 . 1 . . . . . . . . 6953 1 825 . 1 1 73 73 ARG HG2 H 1 1.688 0.009 . 1 . . . . . . . . 6953 1 826 . 1 1 73 73 ARG HG3 H 1 1.653 0.007 . 1 . . . . . . . . 6953 1 827 . 1 1 73 73 ARG HD2 H 1 3.386 0.004 . 1 . . . . . . . . 6953 1 828 . 1 1 73 73 ARG HD3 H 1 3.003 0.002 . 1 . . . . . . . . 6953 1 829 . 1 1 73 73 ARG C C 13 172.514 0.010 . 1 . . . . . . . . 6953 1 830 . 1 1 73 73 ARG CA C 13 54.124 0.117 . 1 . . . . . . . . 6953 1 831 . 1 1 73 73 ARG CB C 13 31.376 0.114 . 1 . . . . . . . . 6953 1 832 . 1 1 73 73 ARG CG C 13 27.400 0.005 . 1 . . . . . . . . 6953 1 833 . 1 1 73 73 ARG CD C 13 42.436 0.035 . 1 . . . . . . . . 6953 1 834 . 1 1 73 73 ARG N N 15 120.587 0.058 . 1 . . . . . . . . 6953 1 835 . 1 1 74 74 PRO HA H 1 4.598 0.009 . 1 . . . . . . . . 6953 1 836 . 1 1 74 74 PRO HB2 H 1 2.010 0.011 . 1 . . . . . . . . 6953 1 837 . 1 1 74 74 PRO HB3 H 1 2.482 0.013 . 1 . . . . . . . . 6953 1 838 . 1 1 74 74 PRO HG2 H 1 2.084 0.012 . 1 . . . . . . . . 6953 1 839 . 1 1 74 74 PRO HG3 H 1 2.084 0.012 . 1 . . . . . . . . 6953 1 840 . 1 1 74 74 PRO HD2 H 1 3.429 0.010 . 1 . . . . . . . . 6953 1 841 . 1 1 74 74 PRO HD3 H 1 3.674 0.009 . 1 . . . . . . . . 6953 1 842 . 1 1 74 74 PRO C C 13 178.517 0.040 . 1 . . . . . . . . 6953 1 843 . 1 1 74 74 PRO CA C 13 63.885 0.189 . 1 . . . . . . . . 6953 1 844 . 1 1 74 74 PRO CB C 13 33.095 0.083 . 1 . . . . . . . . 6953 1 845 . 1 1 74 74 PRO CD C 13 50.622 0.062 . 1 . . . . . . . . 6953 1 846 . 1 1 75 75 VAL H H 1 8.591 0.006 . 1 . . . . . . . . 6953 1 847 . 1 1 75 75 VAL HA H 1 4.316 0.010 . 1 . . . . . . . . 6953 1 848 . 1 1 75 75 VAL HB H 1 2.122 0.012 . 1 . . . . . . . . 6953 1 849 . 1 1 75 75 VAL HG11 H 1 0.857 0.015 . 1 . . . . . . . . 6953 1 850 . 1 1 75 75 VAL HG12 H 1 0.857 0.015 . 1 . . . . . . . . 6953 1 851 . 1 1 75 75 VAL HG13 H 1 0.857 0.015 . 1 . . . . . . . . 6953 1 852 . 1 1 75 75 VAL HG21 H 1 0.947 0.011 . 1 . . . . . . . . 6953 1 853 . 1 1 75 75 VAL HG22 H 1 0.947 0.011 . 1 . . . . . . . . 6953 1 854 . 1 1 75 75 VAL HG23 H 1 0.947 0.011 . 1 . . . . . . . . 6953 1 855 . 1 1 75 75 VAL C C 13 176.810 0.017 . 1 . . . . . . . . 6953 1 856 . 1 1 75 75 VAL CA C 13 62.743 0.006 . 1 . . . . . . . . 6953 1 857 . 1 1 75 75 VAL CB C 13 32.747 0.120 . 1 . . . . . . . . 6953 1 858 . 1 1 75 75 VAL CG1 C 13 21.763 0.001 . 1 . . . . . . . . 6953 1 859 . 1 1 75 75 VAL CG2 C 13 21.766 0.198 . 1 . . . . . . . . 6953 1 860 . 1 1 75 75 VAL N N 15 118.638 0.063 . 1 . . . . . . . . 6953 1 861 . 1 1 76 76 ASP H H 1 8.273 0.004 . 1 . . . . . . . . 6953 1 862 . 1 1 76 76 ASP HA H 1 4.603 0.014 . 1 . . . . . . . . 6953 1 863 . 1 1 76 76 ASP HB2 H 1 2.906 0.014 . 1 . . . . . . . . 6953 1 864 . 1 1 76 76 ASP HB3 H 1 2.694 0.013 . 1 . . . . . . . . 6953 1 865 . 1 1 76 76 ASP C C 13 177.122 0.006 . 1 . . . . . . . . 6953 1 866 . 1 1 76 76 ASP CA C 13 54.880 0.175 . 1 . . . . . . . . 6953 1 867 . 1 1 76 76 ASP CB C 13 40.030 0.216 . 1 . . . . . . . . 6953 1 868 . 1 1 76 76 ASP N N 15 117.419 0.061 . 1 . . . . . . . . 6953 1 869 . 1 1 77 77 GLN H H 1 8.246 0.006 . 1 . . . . . . . . 6953 1 870 . 1 1 77 77 GLN HA H 1 4.113 0.007 . 1 . . . . . . . . 6953 1 871 . 1 1 77 77 GLN HB2 H 1 1.926 0.009 . 1 . . . . . . . . 6953 1 872 . 1 1 77 77 GLN HB3 H 1 1.712 0.012 . 1 . . . . . . . . 6953 1 873 . 1 1 77 77 GLN HG2 H 1 2.245 0.008 . 1 . . . . . . . . 6953 1 874 . 1 1 77 77 GLN HG3 H 1 2.221 0.005 . 1 . . . . . . . . 6953 1 875 . 1 1 77 77 GLN HE21 H 1 6.777 0.004 . 1 . . . . . . . . 6953 1 876 . 1 1 77 77 GLN HE22 H 1 7.321 0.006 . 1 . . . . . . . . 6953 1 877 . 1 1 77 77 GLN C C 13 174.787 0.007 . 1 . . . . . . . . 6953 1 878 . 1 1 77 77 GLN CA C 13 56.017 0.172 . 1 . . . . . . . . 6953 1 879 . 1 1 77 77 GLN CB C 13 27.618 0.050 . 1 . . . . . . . . 6953 1 880 . 1 1 77 77 GLN CG C 13 34.594 0.251 . 1 . . . . . . . . 6953 1 881 . 1 1 77 77 GLN N N 15 117.512 0.029 . 1 . . . . . . . . 6953 1 882 . 1 1 77 77 GLN NE2 N 15 110.530 0.210 . 1 . . . . . . . . 6953 1 883 . 1 1 78 78 TYR H H 1 7.875 0.004 . 1 . . . . . . . . 6953 1 884 . 1 1 78 78 TYR HA H 1 4.921 0.008 . 1 . . . . . . . . 6953 1 885 . 1 1 78 78 TYR HB2 H 1 3.420 0.009 . 1 . . . . . . . . 6953 1 886 . 1 1 78 78 TYR HB3 H 1 3.023 0.009 . 1 . . . . . . . . 6953 1 887 . 1 1 78 78 TYR HD1 H 1 7.377 0.006 . 1 . . . . . . . . 6953 1 888 . 1 1 78 78 TYR HD2 H 1 7.190 0.001 . 1 . . . . . . . . 6953 1 889 . 1 1 78 78 TYR HE2 H 1 6.982 0.040 . 3 . . . . . . . . 6953 1 890 . 1 1 78 78 TYR C C 13 176.190 0.014 . 1 . . . . . . . . 6953 1 891 . 1 1 78 78 TYR CA C 13 57.296 0.159 . 1 . . . . . . . . 6953 1 892 . 1 1 78 78 TYR CB C 13 42.405 0.221 . 1 . . . . . . . . 6953 1 893 . 1 1 78 78 TYR N N 15 117.263 0.043 . 1 . . . . . . . . 6953 1 894 . 1 1 79 79 SER H H 1 9.211 0.006 . 1 . . . . . . . . 6953 1 895 . 1 1 79 79 SER HA H 1 4.547 0.010 . 1 . . . . . . . . 6953 1 896 . 1 1 79 79 SER HB2 H 1 4.012 0.013 . 2 . . . . . . . . 6953 1 897 . 1 1 79 79 SER HB3 H 1 4.012 0.013 . 2 . . . . . . . . 6953 1 898 . 1 1 79 79 SER C C 13 174.239 0.045 . 1 . . . . . . . . 6953 1 899 . 1 1 79 79 SER CA C 13 59.181 0.185 . 1 . . . . . . . . 6953 1 900 . 1 1 79 79 SER CB C 13 64.254 0.146 . 1 . . . . . . . . 6953 1 901 . 1 1 79 79 SER N N 15 115.239 0.032 . 1 . . . . . . . . 6953 1 902 . 1 1 80 80 ASN H H 1 7.548 0.010 . 1 . . . . . . . . 6953 1 903 . 1 1 80 80 ASN HA H 1 4.762 0.020 . 1 . . . . . . . . 6953 1 904 . 1 1 80 80 ASN HB2 H 1 3.232 0.008 . 1 . . . . . . . . 6953 1 905 . 1 1 80 80 ASN HB3 H 1 3.029 0.012 . 1 . . . . . . . . 6953 1 906 . 1 1 80 80 ASN HD21 H 1 6.809 0.006 . 1 . . . . . . . . 6953 1 907 . 1 1 80 80 ASN HD22 H 1 7.541 0.100 . 1 . . . . . . . . 6953 1 908 . 1 1 80 80 ASN C C 13 173.668 0.078 . 1 . . . . . . . . 6953 1 909 . 1 1 80 80 ASN CA C 13 52.392 0.120 . 1 . . . . . . . . 6953 1 910 . 1 1 80 80 ASN CB C 13 40.542 0.106 . 1 . . . . . . . . 6953 1 911 . 1 1 80 80 ASN N N 15 113.665 0.045 . 1 . . . . . . . . 6953 1 912 . 1 1 80 80 ASN ND2 N 15 112.700 0.051 . 1 . . . . . . . . 6953 1 913 . 1 1 81 81 GLN H H 1 8.621 0.005 . 1 . . . . . . . . 6953 1 914 . 1 1 81 81 GLN HA H 1 3.749 0.007 . 1 . . . . . . . . 6953 1 915 . 1 1 81 81 GLN HB2 H 1 2.342 0.040 . 1 . . . . . . . . 6953 1 916 . 1 1 81 81 GLN HB3 H 1 2.088 0.030 . 1 . . . . . . . . 6953 1 917 . 1 1 81 81 GLN HG2 H 1 2.487 0.018 . 1 . . . . . . . . 6953 1 918 . 1 1 81 81 GLN HG3 H 1 2.720 0.009 . 1 . . . . . . . . 6953 1 919 . 1 1 81 81 GLN HE21 H 1 6.786 0.009 . 1 . . . . . . . . 6953 1 920 . 1 1 81 81 GLN HE22 H 1 7.407 0.019 . 1 . . . . . . . . 6953 1 921 . 1 1 81 81 GLN C C 13 177.046 0.030 . 1 . . . . . . . . 6953 1 922 . 1 1 81 81 GLN CA C 13 59.262 0.212 . 1 . . . . . . . . 6953 1 923 . 1 1 81 81 GLN CB C 13 29.830 0.023 . 1 . . . . . . . . 6953 1 924 . 1 1 81 81 GLN CG C 13 33.993 0.272 . 1 . . . . . . . . 6953 1 925 . 1 1 81 81 GLN N N 15 119.605 0.024 . 1 . . . . . . . . 6953 1 926 . 1 1 81 81 GLN NE2 N 15 110.888 0.097 . 1 . . . . . . . . 6953 1 927 . 1 1 82 82 ASN H H 1 8.509 0.004 . 1 . . . . . . . . 6953 1 928 . 1 1 82 82 ASN HA H 1 4.232 0.010 . 1 . . . . . . . . 6953 1 929 . 1 1 82 82 ASN HB2 H 1 2.756 0.022 . 1 . . . . . . . . 6953 1 930 . 1 1 82 82 ASN HB3 H 1 2.687 0.020 . 1 . . . . . . . . 6953 1 931 . 1 1 82 82 ASN HD21 H 1 7.605 0.012 . 1 . . . . . . . . 6953 1 932 . 1 1 82 82 ASN HD22 H 1 6.933 0.013 . 1 . . . . . . . . 6953 1 933 . 1 1 82 82 ASN C C 13 178.088 0.024 . 1 . . . . . . . . 6953 1 934 . 1 1 82 82 ASN CA C 13 56.795 0.171 . 1 . . . . . . . . 6953 1 935 . 1 1 82 82 ASN CB C 13 37.757 0.191 . 1 . . . . . . . . 6953 1 936 . 1 1 82 82 ASN N N 15 117.245 0.034 . 1 . . . . . . . . 6953 1 937 . 1 1 82 82 ASN ND2 N 15 111.958 0.061 . 1 . . . . . . . . 6953 1 938 . 1 1 83 83 SER H H 1 8.410 0.005 . 1 . . . . . . . . 6953 1 939 . 1 1 83 83 SER HA H 1 4.303 0.006 . 1 . . . . . . . . 6953 1 940 . 1 1 83 83 SER HB2 H 1 4.169 0.016 . 1 . . . . . . . . 6953 1 941 . 1 1 83 83 SER HB3 H 1 4.185 0.030 . 1 . . . . . . . . 6953 1 942 . 1 1 83 83 SER C C 13 176.319 0.004 . 1 . . . . . . . . 6953 1 943 . 1 1 83 83 SER CA C 13 61.829 0.168 . 1 . . . . . . . . 6953 1 944 . 1 1 83 83 SER CB C 13 63.230 0.118 . 1 . . . . . . . . 6953 1 945 . 1 1 83 83 SER N N 15 115.627 0.063 . 1 . . . . . . . . 6953 1 946 . 1 1 84 84 PHE H H 1 7.094 0.006 . 1 . . . . . . . . 6953 1 947 . 1 1 84 84 PHE HA H 1 4.185 0.021 . 1 . . . . . . . . 6953 1 948 . 1 1 84 84 PHE HB2 H 1 2.709 0.012 . 1 . . . . . . . . 6953 1 949 . 1 1 84 84 PHE HB3 H 1 2.904 0.009 . 1 . . . . . . . . 6953 1 950 . 1 1 84 84 PHE HE1 H 1 7.188 0.005 . 3 . . . . . . . . 6953 1 951 . 1 1 84 84 PHE HZ H 1 6.688 0.014 . 1 . . . . . . . . 6953 1 952 . 1 1 84 84 PHE C C 13 177.294 0.004 . 1 . . . . . . . . 6953 1 953 . 1 1 84 84 PHE CA C 13 60.923 0.033 . 1 . . . . . . . . 6953 1 954 . 1 1 84 84 PHE CB C 13 39.406 0.533 . 1 . . . . . . . . 6953 1 955 . 1 1 84 84 PHE N N 15 123.459 0.034 . 1 . . . . . . . . 6953 1 956 . 1 1 85 85 VAL H H 1 8.897 0.006 . 1 . . . . . . . . 6953 1 957 . 1 1 85 85 VAL HA H 1 3.405 0.012 . 1 . . . . . . . . 6953 1 958 . 1 1 85 85 VAL HB H 1 2.204 0.013 . 1 . . . . . . . . 6953 1 959 . 1 1 85 85 VAL HG11 H 1 1.047 0.012 . 1 . . . . . . . . 6953 1 960 . 1 1 85 85 VAL HG12 H 1 1.047 0.012 . 1 . . . . . . . . 6953 1 961 . 1 1 85 85 VAL HG13 H 1 1.047 0.012 . 1 . . . . . . . . 6953 1 962 . 1 1 85 85 VAL HG21 H 1 1.066 0.019 . 1 . . . . . . . . 6953 1 963 . 1 1 85 85 VAL HG22 H 1 1.066 0.019 . 1 . . . . . . . . 6953 1 964 . 1 1 85 85 VAL HG23 H 1 1.066 0.019 . 1 . . . . . . . . 6953 1 965 . 1 1 85 85 VAL C C 13 176.756 0.002 . 1 . . . . . . . . 6953 1 966 . 1 1 85 85 VAL CA C 13 67.785 0.226 . 1 . . . . . . . . 6953 1 967 . 1 1 85 85 VAL CB C 13 32.334 0.099 . 1 . . . . . . . . 6953 1 968 . 1 1 85 85 VAL CG1 C 13 22.455 0.230 . 1 . . . . . . . . 6953 1 969 . 1 1 85 85 VAL CG2 C 13 25.247 0.230 . 1 . . . . . . . . 6953 1 970 . 1 1 85 85 VAL N N 15 120.269 0.050 . 1 . . . . . . . . 6953 1 971 . 1 1 86 86 HIS H H 1 8.373 0.009 . 1 . . . . . . . . 6953 1 972 . 1 1 86 86 HIS HA H 1 4.301 0.008 . 1 . . . . . . . . 6953 1 973 . 1 1 86 86 HIS HB2 H 1 3.335 0.015 . 2 . . . . . . . . 6953 1 974 . 1 1 86 86 HIS HB3 H 1 3.335 0.015 . 2 . . . . . . . . 6953 1 975 . 1 1 86 86 HIS HD1 H 1 7.352 0.023 . 1 . . . . . . . . 6953 1 976 . 1 1 86 86 HIS HD2 H 1 8.171 0.013 . 1 . . . . . . . . 6953 1 977 . 1 1 86 86 HIS HE1 H 1 7.202 0.022 . 1 . . . . . . . . 6953 1 978 . 1 1 86 86 HIS HE2 H 1 8.118 0.013 . 1 . . . . . . . . 6953 1 979 . 1 1 86 86 HIS C C 13 177.016 0.007 . 1 . . . . . . . . 6953 1 980 . 1 1 86 86 HIS CA C 13 59.621 0.225 . 1 . . . . . . . . 6953 1 981 . 1 1 86 86 HIS CB C 13 28.729 0.233 . 1 . . . . . . . . 6953 1 982 . 1 1 86 86 HIS N N 15 116.628 0.055 . 1 . . . . . . . . 6953 1 983 . 1 1 87 87 ASP H H 1 7.359 0.009 . 1 . . . . . . . . 6953 1 984 . 1 1 87 87 ASP HA H 1 4.584 0.013 . 1 . . . . . . . . 6953 1 985 . 1 1 87 87 ASP HB2 H 1 2.990 0.012 . 1 . . . . . . . . 6953 1 986 . 1 1 87 87 ASP HB3 H 1 2.957 0.005 . 1 . . . . . . . . 6953 1 987 . 1 1 87 87 ASP C C 13 175.865 0.030 . 1 . . . . . . . . 6953 1 988 . 1 1 87 87 ASP CA C 13 57.397 0.190 . 1 . . . . . . . . 6953 1 989 . 1 1 87 87 ASP CB C 13 41.618 0.229 . 1 . . . . . . . . 6953 1 990 . 1 1 87 87 ASP N N 15 118.542 0.058 . 1 . . . . . . . . 6953 1 991 . 1 1 88 88 CYS H H 1 8.135 0.010 . 1 . . . . . . . . 6953 1 992 . 1 1 88 88 CYS HA H 1 4.689 0.012 . 1 . . . . . . . . 6953 1 993 . 1 1 88 88 CYS HB2 H 1 2.845 0.011 . 1 . . . . . . . . 6953 1 994 . 1 1 88 88 CYS HB3 H 1 3.192 0.019 . 1 . . . . . . . . 6953 1 995 . 1 1 88 88 CYS C C 13 177.494 0.050 . 1 . . . . . . . . 6953 1 996 . 1 1 88 88 CYS CA C 13 58.992 0.196 . 1 . . . . . . . . 6953 1 997 . 1 1 88 88 CYS CB C 13 41.445 0.198 . 1 . . . . . . . . 6953 1 998 . 1 1 88 88 CYS N N 15 119.359 0.080 . 1 . . . . . . . . 6953 1 999 . 1 1 89 89 VAL H H 1 9.220 0.011 . 1 . . . . . . . . 6953 1 1000 . 1 1 89 89 VAL HA H 1 3.681 0.013 . 1 . . . . . . . . 6953 1 1001 . 1 1 89 89 VAL HB H 1 2.137 0.013 . 1 . . . . . . . . 6953 1 1002 . 1 1 89 89 VAL HG11 H 1 1.057 0.012 . 1 . . . . . . . . 6953 1 1003 . 1 1 89 89 VAL HG12 H 1 1.057 0.012 . 1 . . . . . . . . 6953 1 1004 . 1 1 89 89 VAL HG13 H 1 1.057 0.012 . 1 . . . . . . . . 6953 1 1005 . 1 1 89 89 VAL HG21 H 1 0.953 0.010 . 1 . . . . . . . . 6953 1 1006 . 1 1 89 89 VAL HG22 H 1 0.953 0.010 . 1 . . . . . . . . 6953 1 1007 . 1 1 89 89 VAL HG23 H 1 0.953 0.010 . 1 . . . . . . . . 6953 1 1008 . 1 1 89 89 VAL C C 13 177.120 0.003 . 1 . . . . . . . . 6953 1 1009 . 1 1 89 89 VAL CA C 13 66.418 0.271 . 1 . . . . . . . . 6953 1 1010 . 1 1 89 89 VAL CB C 13 32.268 0.178 . 1 . . . . . . . . 6953 1 1011 . 1 1 89 89 VAL CG2 C 13 21.795 0.003 . 1 . . . . . . . . 6953 1 1012 . 1 1 89 89 VAL CG1 C 13 22.473 0.175 . 1 . . . . . . . . 6953 1 1013 . 1 1 89 89 VAL N N 15 124.182 0.076 . 1 . . . . . . . . 6953 1 1014 . 1 1 90 90 ASN H H 1 7.628 0.005 . 1 . . . . . . . . 6953 1 1015 . 1 1 90 90 ASN HA H 1 4.309 0.011 . 1 . . . . . . . . 6953 1 1016 . 1 1 90 90 ASN HB2 H 1 2.854 0.013 . 1 . . . . . . . . 6953 1 1017 . 1 1 90 90 ASN HB3 H 1 2.809 0.016 . 1 . . . . . . . . 6953 1 1018 . 1 1 90 90 ASN HD21 H 1 6.763 0.007 . 1 . . . . . . . . 6953 1 1019 . 1 1 90 90 ASN HD22 H 1 7.643 0.006 . 1 . . . . . . . . 6953 1 1020 . 1 1 90 90 ASN C C 13 178.377 0.022 . 1 . . . . . . . . 6953 1 1021 . 1 1 90 90 ASN CA C 13 56.915 0.163 . 1 . . . . . . . . 6953 1 1022 . 1 1 90 90 ASN CB C 13 39.178 0.195 . 1 . . . . . . . . 6953 1 1023 . 1 1 90 90 ASN N N 15 116.704 0.034 . 1 . . . . . . . . 6953 1 1024 . 1 1 90 90 ASN ND2 N 15 111.748 0.277 . 1 . . . . . . . . 6953 1 1025 . 1 1 91 91 ILE H H 1 8.660 0.006 . 1 . . . . . . . . 6953 1 1026 . 1 1 91 91 ILE HA H 1 3.766 0.015 . 1 . . . . . . . . 6953 1 1027 . 1 1 91 91 ILE HB H 1 1.622 0.014 . 1 . . . . . . . . 6953 1 1028 . 1 1 91 91 ILE HG12 H 1 0.858 0.023 . 1 . . . . . . . . 6953 1 1029 . 1 1 91 91 ILE HG13 H 1 0.997 0.016 . 1 . . . . . . . . 6953 1 1030 . 1 1 91 91 ILE HG21 H 1 0.252 0.011 . 1 . . . . . . . . 6953 1 1031 . 1 1 91 91 ILE HG22 H 1 0.252 0.011 . 1 . . . . . . . . 6953 1 1032 . 1 1 91 91 ILE HG23 H 1 0.252 0.011 . 1 . . . . . . . . 6953 1 1033 . 1 1 91 91 ILE HD11 H 1 0.413 0.024 . 1 . . . . . . . . 6953 1 1034 . 1 1 91 91 ILE HD12 H 1 0.413 0.024 . 1 . . . . . . . . 6953 1 1035 . 1 1 91 91 ILE HD13 H 1 0.413 0.024 . 1 . . . . . . . . 6953 1 1036 . 1 1 91 91 ILE CA C 13 62.315 0.208 . 1 . . . . . . . . 6953 1 1037 . 1 1 91 91 ILE CB C 13 36.759 0.214 . 1 . . . . . . . . 6953 1 1038 . 1 1 91 91 ILE CG1 C 13 27.773 0.281 . 1 . . . . . . . . 6953 1 1039 . 1 1 91 91 ILE CG2 C 13 18.656 0.250 . 1 . . . . . . . . 6953 1 1040 . 1 1 91 91 ILE CD1 C 13 11.208 0.278 . 1 . . . . . . . . 6953 1 1041 . 1 1 91 91 ILE N N 15 118.113 0.044 . 1 . . . . . . . . 6953 1 1042 . 1 1 92 92 THR H H 1 8.099 0.009 . 1 . . . . . . . . 6953 1 1043 . 1 1 92 92 THR HA H 1 4.086 0.018 . 1 . . . . . . . . 6953 1 1044 . 1 1 92 92 THR HB H 1 4.504 0.017 . 1 . . . . . . . . 6953 1 1045 . 1 1 92 92 THR HG21 H 1 1.487 0.011 . 1 . . . . . . . . 6953 1 1046 . 1 1 92 92 THR HG22 H 1 1.487 0.011 . 1 . . . . . . . . 6953 1 1047 . 1 1 92 92 THR HG23 H 1 1.487 0.011 . 1 . . . . . . . . 6953 1 1048 . 1 1 92 92 THR C C 13 177.590 0.050 . 1 . . . . . . . . 6953 1 1049 . 1 1 92 92 THR CA C 13 68.944 0.218 . 1 . . . . . . . . 6953 1 1050 . 1 1 92 92 THR CB C 13 68.894 0.122 . 1 . . . . . . . . 6953 1 1051 . 1 1 92 92 THR CG2 C 13 22.655 0.165 . 1 . . . . . . . . 6953 1 1052 . 1 1 92 92 THR N N 15 118.078 0.073 . 1 . . . . . . . . 6953 1 1053 . 1 1 93 93 VAL H H 1 8.801 0.005 . 1 . . . . . . . . 6953 1 1054 . 1 1 93 93 VAL HA H 1 3.614 0.014 . 1 . . . . . . . . 6953 1 1055 . 1 1 93 93 VAL HB H 1 2.296 0.016 . 1 . . . . . . . . 6953 1 1056 . 1 1 93 93 VAL HG11 H 1 1.038 0.014 . 1 . . . . . . . . 6953 1 1057 . 1 1 93 93 VAL HG12 H 1 1.038 0.014 . 1 . . . . . . . . 6953 1 1058 . 1 1 93 93 VAL HG13 H 1 1.038 0.014 . 1 . . . . . . . . 6953 1 1059 . 1 1 93 93 VAL HG21 H 1 0.969 0.013 . 1 . . . . . . . . 6953 1 1060 . 1 1 93 93 VAL HG22 H 1 0.969 0.013 . 1 . . . . . . . . 6953 1 1061 . 1 1 93 93 VAL HG23 H 1 0.969 0.013 . 1 . . . . . . . . 6953 1 1062 . 1 1 93 93 VAL C C 13 178.811 0.021 . 1 . . . . . . . . 6953 1 1063 . 1 1 93 93 VAL CA C 13 67.965 0.224 . 1 . . . . . . . . 6953 1 1064 . 1 1 93 93 VAL CB C 13 31.814 0.281 . 1 . . . . . . . . 6953 1 1065 . 1 1 93 93 VAL CG1 C 13 24.110 0.210 . 1 . . . . . . . . 6953 1 1066 . 1 1 93 93 VAL CG2 C 13 21.099 0.019 . 1 . . . . . . . . 6953 1 1067 . 1 1 93 93 VAL N N 15 120.913 0.028 . 1 . . . . . . . . 6953 1 1068 . 1 1 94 94 LYS H H 1 7.894 0.006 . 1 . . . . . . . . 6953 1 1069 . 1 1 94 94 LYS HA H 1 4.068 0.011 . 1 . . . . . . . . 6953 1 1070 . 1 1 94 94 LYS HB2 H 1 1.936 0.011 . 1 . . . . . . . . 6953 1 1071 . 1 1 94 94 LYS HB3 H 1 1.964 0.011 . 1 . . . . . . . . 6953 1 1072 . 1 1 94 94 LYS HG2 H 1 1.508 0.018 . 1 . . . . . . . . 6953 1 1073 . 1 1 94 94 LYS HG3 H 1 1.423 0.012 . 1 . . . . . . . . 6953 1 1074 . 1 1 94 94 LYS HD2 H 1 1.654 0.014 . 2 . . . . . . . . 6953 1 1075 . 1 1 94 94 LYS HD3 H 1 1.654 0.014 . 2 . . . . . . . . 6953 1 1076 . 1 1 94 94 LYS HE2 H 1 2.928 0.015 . 2 . . . . . . . . 6953 1 1077 . 1 1 94 94 LYS HE3 H 1 2.928 0.015 . 2 . . . . . . . . 6953 1 1078 . 1 1 94 94 LYS C C 13 178.963 0.044 . 1 . . . . . . . . 6953 1 1079 . 1 1 94 94 LYS CA C 13 55.316 0.128 . 1 . . . . . . . . 6953 1 1080 . 1 1 94 94 LYS CB C 13 32.559 0.070 . 1 . . . . . . . . 6953 1 1081 . 1 1 94 94 LYS CG C 13 25.478 0.204 . 1 . . . . . . . . 6953 1 1082 . 1 1 94 94 LYS CD C 13 29.439 0.084 . 1 . . . . . . . . 6953 1 1083 . 1 1 94 94 LYS CE C 13 42.123 0.279 . 1 . . . . . . . . 6953 1 1084 . 1 1 94 94 LYS N N 15 121.556 0.034 . 1 . . . . . . . . 6953 1 1085 . 1 1 95 95 GLN H H 1 8.400 0.018 . 1 . . . . . . . . 6953 1 1086 . 1 1 95 95 GLN HA H 1 4.024 0.019 . 1 . . . . . . . . 6953 1 1087 . 1 1 95 95 GLN HB2 H 1 2.155 0.014 . 2 . . . . . . . . 6953 1 1088 . 1 1 95 95 GLN HB3 H 1 2.155 0.014 . 2 . . . . . . . . 6953 1 1089 . 1 1 95 95 GLN HG2 H 1 2.354 0.015 . 1 . . . . . . . . 6953 1 1090 . 1 1 95 95 GLN HG3 H 1 2.503 0.010 . 1 . . . . . . . . 6953 1 1091 . 1 1 95 95 GLN HE21 H 1 7.345 0.018 . 1 . . . . . . . . 6953 1 1092 . 1 1 95 95 GLN HE22 H 1 6.790 0.012 . 1 . . . . . . . . 6953 1 1093 . 1 1 95 95 GLN C C 13 178.288 0.017 . 1 . . . . . . . . 6953 1 1094 . 1 1 95 95 GLN CA C 13 57.881 0.178 . 1 . . . . . . . . 6953 1 1095 . 1 1 95 95 GLN CB C 13 28.597 0.160 . 1 . . . . . . . . 6953 1 1096 . 1 1 95 95 GLN CG C 13 34.285 0.020 . 1 . . . . . . . . 6953 1 1097 . 1 1 95 95 GLN N N 15 116.814 0.051 . 1 . . . . . . . . 6953 1 1098 . 1 1 95 95 GLN NE2 N 15 110.239 0.043 . 1 . . . . . . . . 6953 1 1099 . 1 1 96 96 HIS H H 1 8.200 0.006 . 1 . . . . . . . . 6953 1 1100 . 1 1 96 96 HIS HA H 1 4.581 0.019 . 1 . . . . . . . . 6953 1 1101 . 1 1 96 96 HIS HB2 H 1 3.145 0.006 . 1 . . . . . . . . 6953 1 1102 . 1 1 96 96 HIS HB3 H 1 3.381 0.022 . 1 . . . . . . . . 6953 1 1103 . 1 1 96 96 HIS HD2 H 1 6.769 0.034 . 1 . . . . . . . . 6953 1 1104 . 1 1 96 96 HIS C C 13 177.421 0.300 . 1 . . . . . . . . 6953 1 1105 . 1 1 96 96 HIS CA C 13 59.814 0.565 . 1 . . . . . . . . 6953 1 1106 . 1 1 96 96 HIS CB C 13 32.025 0.491 . 1 . . . . . . . . 6953 1 1107 . 1 1 96 96 HIS N N 15 118.096 0.043 . 1 . . . . . . . . 6953 1 1108 . 1 1 97 97 THR H H 1 8.186 0.020 . 1 . . . . . . . . 6953 1 1109 . 1 1 97 97 THR HA H 1 4.181 0.010 . 1 . . . . . . . . 6953 1 1110 . 1 1 97 97 THR HB H 1 4.271 0.022 . 1 . . . . . . . . 6953 1 1111 . 1 1 97 97 THR HG21 H 1 1.302 0.013 . 1 . . . . . . . . 6953 1 1112 . 1 1 97 97 THR HG22 H 1 1.302 0.013 . 1 . . . . . . . . 6953 1 1113 . 1 1 97 97 THR HG23 H 1 1.302 0.013 . 1 . . . . . . . . 6953 1 1114 . 1 1 97 97 THR C C 13 176.079 0.230 . 1 . . . . . . . . 6953 1 1115 . 1 1 97 97 THR CA C 13 65.151 0.234 . 1 . . . . . . . . 6953 1 1116 . 1 1 97 97 THR CB C 13 69.271 0.205 . 1 . . . . . . . . 6953 1 1117 . 1 1 97 97 THR CG2 C 13 22.099 0.112 . 1 . . . . . . . . 6953 1 1118 . 1 1 97 97 THR N N 15 113.230 0.054 . 1 . . . . . . . . 6953 1 1119 . 1 1 98 98 VAL H H 1 8.017 0.009 . 1 . . . . . . . . 6953 1 1120 . 1 1 98 98 VAL HA H 1 4.037 0.024 . 1 . . . . . . . . 6953 1 1121 . 1 1 98 98 VAL HB H 1 2.214 0.011 . 1 . . . . . . . . 6953 1 1122 . 1 1 98 98 VAL HG11 H 1 1.221 0.002 . 1 . . . . . . . . 6953 1 1123 . 1 1 98 98 VAL HG12 H 1 1.221 0.002 . 1 . . . . . . . . 6953 1 1124 . 1 1 98 98 VAL HG13 H 1 1.221 0.002 . 1 . . . . . . . . 6953 1 1125 . 1 1 98 98 VAL HG21 H 1 0.749 0.007 . 1 . . . . . . . . 6953 1 1126 . 1 1 98 98 VAL HG22 H 1 0.749 0.007 . 1 . . . . . . . . 6953 1 1127 . 1 1 98 98 VAL HG23 H 1 0.749 0.007 . 1 . . . . . . . . 6953 1 1128 . 1 1 98 98 VAL C C 13 177.971 0.011 . 1 . . . . . . . . 6953 1 1129 . 1 1 98 98 VAL CA C 13 65.418 0.178 . 1 . . . . . . . . 6953 1 1130 . 1 1 98 98 VAL CB C 13 32.204 0.113 . 1 . . . . . . . . 6953 1 1131 . 1 1 98 98 VAL CG1 C 13 21.803 0.015 . 1 . . . . . . . . 6953 1 1132 . 1 1 98 98 VAL CG2 C 13 23.729 0.024 . 1 . . . . . . . . 6953 1 1133 . 1 1 98 98 VAL N N 15 122.358 0.059 . 1 . . . . . . . . 6953 1 1134 . 1 1 99 99 THR H H 1 8.133 0.010 . 1 . . . . . . . . 6953 1 1135 . 1 1 99 99 THR HA H 1 4.198 0.015 . 1 . . . . . . . . 6953 1 1136 . 1 1 99 99 THR HB H 1 4.288 0.073 . 1 . . . . . . . . 6953 1 1137 . 1 1 99 99 THR HG21 H 1 1.293 0.015 . 1 . . . . . . . . 6953 1 1138 . 1 1 99 99 THR HG22 H 1 1.293 0.015 . 1 . . . . . . . . 6953 1 1139 . 1 1 99 99 THR HG23 H 1 1.293 0.015 . 1 . . . . . . . . 6953 1 1140 . 1 1 99 99 THR C C 13 176.118 0.002 . 1 . . . . . . . . 6953 1 1141 . 1 1 99 99 THR CA C 13 64.549 0.069 . 1 . . . . . . . . 6953 1 1142 . 1 1 99 99 THR CB C 13 69.133 0.114 . 1 . . . . . . . . 6953 1 1143 . 1 1 99 99 THR CG2 C 13 22.165 0.084 . 1 . . . . . . . . 6953 1 1144 . 1 1 99 99 THR N N 15 115.646 0.056 . 1 . . . . . . . . 6953 1 1145 . 1 1 100 100 THR H H 1 7.993 0.002 . 1 . . . . . . . . 6953 1 1146 . 1 1 100 100 THR HA H 1 4.149 0.022 . 1 . . . . . . . . 6953 1 1147 . 1 1 100 100 THR HB H 1 4.443 0.008 . 1 . . . . . . . . 6953 1 1148 . 1 1 100 100 THR HG21 H 1 0.934 0.027 . 1 . . . . . . . . 6953 1 1149 . 1 1 100 100 THR HG22 H 1 0.934 0.027 . 1 . . . . . . . . 6953 1 1150 . 1 1 100 100 THR HG23 H 1 0.934 0.027 . 1 . . . . . . . . 6953 1 1151 . 1 1 100 100 THR C C 13 176.291 0.013 . 1 . . . . . . . . 6953 1 1152 . 1 1 100 100 THR CA C 13 64.440 0.005 . 1 . . . . . . . . 6953 1 1153 . 1 1 100 100 THR CB C 13 69.041 0.105 . 1 . . . . . . . . 6953 1 1154 . 1 1 100 100 THR CG2 C 13 21.984 0.010 . 1 . . . . . . . . 6953 1 1155 . 1 1 100 100 THR N N 15 115.122 0.025 . 1 . . . . . . . . 6953 1 1156 . 1 1 101 101 THR H H 1 8.161 0.005 . 1 . . . . . . . . 6953 1 1157 . 1 1 101 101 THR HA H 1 4.395 0.015 . 1 . . . . . . . . 6953 1 1158 . 1 1 101 101 THR HB H 1 4.366 0.012 . 1 . . . . . . . . 6953 1 1159 . 1 1 101 101 THR HG21 H 1 1.332 0.017 . 1 . . . . . . . . 6953 1 1160 . 1 1 101 101 THR HG22 H 1 1.332 0.017 . 1 . . . . . . . . 6953 1 1161 . 1 1 101 101 THR HG23 H 1 1.332 0.017 . 1 . . . . . . . . 6953 1 1162 . 1 1 101 101 THR C C 13 177.202 0.021 . 1 . . . . . . . . 6953 1 1163 . 1 1 101 101 THR CA C 13 64.853 0.301 . 1 . . . . . . . . 6953 1 1164 . 1 1 101 101 THR CB C 13 69.183 0.207 . 1 . . . . . . . . 6953 1 1165 . 1 1 101 101 THR CG2 C 13 21.947 0.136 . 1 . . . . . . . . 6953 1 1166 . 1 1 101 101 THR N N 15 116.681 0.092 . 1 . . . . . . . . 6953 1 1167 . 1 1 102 102 THR H H 1 7.976 0.008 . 1 . . . . . . . . 6953 1 1168 . 1 1 102 102 THR HA H 1 4.216 0.015 . 1 . . . . . . . . 6953 1 1169 . 1 1 102 102 THR HB H 1 4.307 0.040 . 1 . . . . . . . . 6953 1 1170 . 1 1 102 102 THR HG21 H 1 1.304 0.019 . 1 . . . . . . . . 6953 1 1171 . 1 1 102 102 THR HG22 H 1 1.304 0.019 . 1 . . . . . . . . 6953 1 1172 . 1 1 102 102 THR HG23 H 1 1.304 0.019 . 1 . . . . . . . . 6953 1 1173 . 1 1 102 102 THR C C 13 175.139 0.039 . 1 . . . . . . . . 6953 1 1174 . 1 1 102 102 THR CA C 13 64.292 0.117 . 1 . . . . . . . . 6953 1 1175 . 1 1 102 102 THR CB C 13 69.143 0.217 . 1 . . . . . . . . 6953 1 1176 . 1 1 102 102 THR CG2 C 13 22.159 0.025 . 1 . . . . . . . . 6953 1 1177 . 1 1 102 102 THR N N 15 116.471 0.028 . 1 . . . . . . . . 6953 1 1178 . 1 1 103 103 LYS H H 1 7.753 0.030 . 1 . . . . . . . . 6953 1 1179 . 1 1 103 103 LYS HA H 1 4.373 0.023 . 1 . . . . . . . . 6953 1 1180 . 1 1 103 103 LYS HB2 H 1 2.002 0.012 . 1 . . . . . . . . 6953 1 1181 . 1 1 103 103 LYS HB3 H 1 1.860 0.019 . 1 . . . . . . . . 6953 1 1182 . 1 1 103 103 LYS HG2 H 1 1.501 0.013 . 1 . . . . . . . . 6953 1 1183 . 1 1 103 103 LYS HG3 H 1 1.646 0.001 . 1 . . . . . . . . 6953 1 1184 . 1 1 103 103 LYS HD2 H 1 1.698 0.020 . 2 . . . . . . . . 6953 1 1185 . 1 1 103 103 LYS HD3 H 1 1.698 0.020 . 2 . . . . . . . . 6953 1 1186 . 1 1 103 103 LYS HE2 H 1 2.945 0.030 . 2 . . . . . . . . 6953 1 1187 . 1 1 103 103 LYS HE3 H 1 2.945 0.030 . 2 . . . . . . . . 6953 1 1188 . 1 1 103 103 LYS C C 13 176.810 0.008 . 1 . . . . . . . . 6953 1 1189 . 1 1 103 103 LYS CA C 13 56.630 0.124 . 1 . . . . . . . . 6953 1 1190 . 1 1 103 103 LYS CB C 13 32.867 0.153 . 1 . . . . . . . . 6953 1 1191 . 1 1 103 103 LYS CG C 13 25.353 0.303 . 1 . . . . . . . . 6953 1 1192 . 1 1 103 103 LYS CD C 13 29.032 0.249 . 1 . . . . . . . . 6953 1 1193 . 1 1 103 103 LYS CE C 13 42.217 0.200 . 1 . . . . . . . . 6953 1 1194 . 1 1 103 103 LYS N N 15 120.731 0.109 . 1 . . . . . . . . 6953 1 1195 . 1 1 104 104 GLY H H 1 8.045 0.015 . 1 . . . . . . . . 6953 1 1196 . 1 1 104 104 GLY HA2 H 1 4.106 0.008 . 1 . . . . . . . . 6953 1 1197 . 1 1 104 104 GLY HA3 H 1 3.834 0.006 . 1 . . . . . . . . 6953 1 1198 . 1 1 104 104 GLY C C 13 174.230 0.026 . 1 . . . . . . . . 6953 1 1199 . 1 1 104 104 GLY CA C 13 45.593 0.027 . 1 . . . . . . . . 6953 1 1200 . 1 1 104 104 GLY N N 15 108.603 0.099 . 1 . . . . . . . . 6953 1 1201 . 1 1 105 105 GLU H H 1 7.675 0.021 . 1 . . . . . . . . 6953 1 1202 . 1 1 105 105 GLU HA H 1 4.289 0.010 . 1 . . . . . . . . 6953 1 1203 . 1 1 105 105 GLU HB2 H 1 1.644 0.018 . 1 . . . . . . . . 6953 1 1204 . 1 1 105 105 GLU HB3 H 1 1.619 0.010 . 1 . . . . . . . . 6953 1 1205 . 1 1 105 105 GLU HG2 H 1 2.071 0.019 . 1 . . . . . . . . 6953 1 1206 . 1 1 105 105 GLU HG3 H 1 1.952 0.006 . 1 . . . . . . . . 6953 1 1207 . 1 1 105 105 GLU C C 13 175.136 0.036 . 1 . . . . . . . . 6953 1 1208 . 1 1 105 105 GLU CA C 13 55.841 0.174 . 1 . . . . . . . . 6953 1 1209 . 1 1 105 105 GLU CB C 13 31.328 0.293 . 1 . . . . . . . . 6953 1 1210 . 1 1 105 105 GLU CG C 13 36.207 0.278 . 1 . . . . . . . . 6953 1 1211 . 1 1 105 105 GLU N N 15 120.091 0.025 . 1 . . . . . . . . 6953 1 1212 . 1 1 106 106 ASN H H 1 8.451 0.004 . 1 . . . . . . . . 6953 1 1213 . 1 1 106 106 ASN HA H 1 4.713 0.013 . 1 . . . . . . . . 6953 1 1214 . 1 1 106 106 ASN HB2 H 1 2.659 0.011 . 1 . . . . . . . . 6953 1 1215 . 1 1 106 106 ASN HB3 H 1 2.616 0.011 . 1 . . . . . . . . 6953 1 1216 . 1 1 106 106 ASN HD21 H 1 7.540 0.020 . 1 . . . . . . . . 6953 1 1217 . 1 1 106 106 ASN HD22 H 1 6.817 0.010 . 1 . . . . . . . . 6953 1 1218 . 1 1 106 106 ASN C C 13 174.128 0.052 . 1 . . . . . . . . 6953 1 1219 . 1 1 106 106 ASN CA C 13 52.966 0.114 . 1 . . . . . . . . 6953 1 1220 . 1 1 106 106 ASN CB C 13 41.009 0.384 . 1 . . . . . . . . 6953 1 1221 . 1 1 106 106 ASN N N 15 119.609 0.095 . 1 . . . . . . . . 6953 1 1222 . 1 1 106 106 ASN ND2 N 15 112.658 0.033 . 1 . . . . . . . . 6953 1 1223 . 1 1 107 107 PHE H H 1 8.583 0.007 . 1 . . . . . . . . 6953 1 1224 . 1 1 107 107 PHE HA H 1 5.270 0.071 . 1 . . . . . . . . 6953 1 1225 . 1 1 107 107 PHE HB2 H 1 3.202 0.008 . 1 . . . . . . . . 6953 1 1226 . 1 1 107 107 PHE HB3 H 1 2.967 0.015 . 1 . . . . . . . . 6953 1 1227 . 1 1 107 107 PHE HD1 H 1 7.361 0.012 . 1 . . . . . . . . 6953 1 1228 . 1 1 107 107 PHE HD2 H 1 7.491 0.010 . 1 . . . . . . . . 6953 1 1229 . 1 1 107 107 PHE HE1 H 1 6.913 0.007 . 1 . . . . . . . . 6953 1 1230 . 1 1 107 107 PHE HE2 H 1 6.647 0.014 . 1 . . . . . . . . 6953 1 1231 . 1 1 107 107 PHE C C 13 176.615 0.022 . 1 . . . . . . . . 6953 1 1232 . 1 1 107 107 PHE CA C 13 56.875 0.165 . 1 . . . . . . . . 6953 1 1233 . 1 1 107 107 PHE CB C 13 40.804 0.261 . 1 . . . . . . . . 6953 1 1234 . 1 1 107 107 PHE N N 15 121.906 0.036 . 1 . . . . . . . . 6953 1 1235 . 1 1 108 108 THR H H 1 9.577 0.012 . 1 . . . . . . . . 6953 1 1236 . 1 1 108 108 THR HA H 1 4.642 0.014 . 1 . . . . . . . . 6953 1 1237 . 1 1 108 108 THR HB H 1 4.828 0.020 . 1 . . . . . . . . 6953 1 1238 . 1 1 108 108 THR HG21 H 1 1.430 0.009 . 1 . . . . . . . . 6953 1 1239 . 1 1 108 108 THR HG22 H 1 1.430 0.009 . 1 . . . . . . . . 6953 1 1240 . 1 1 108 108 THR HG23 H 1 1.430 0.009 . 1 . . . . . . . . 6953 1 1241 . 1 1 108 108 THR C C 13 175.395 0.004 . 1 . . . . . . . . 6953 1 1242 . 1 1 108 108 THR CA C 13 60.697 0.232 . 1 . . . . . . . . 6953 1 1243 . 1 1 108 108 THR CB C 13 72.275 0.191 . 1 . . . . . . . . 6953 1 1244 . 1 1 108 108 THR CG2 C 13 21.938 0.226 . 1 . . . . . . . . 6953 1 1245 . 1 1 108 108 THR N N 15 115.859 0.047 . 1 . . . . . . . . 6953 1 1246 . 1 1 109 109 GLU H H 1 9.070 0.007 . 1 . . . . . . . . 6953 1 1247 . 1 1 109 109 GLU HA H 1 4.053 0.009 . 1 . . . . . . . . 6953 1 1248 . 1 1 109 109 GLU HB2 H 1 1.967 0.003 . 1 . . . . . . . . 6953 1 1249 . 1 1 109 109 GLU HB3 H 1 2.100 0.011 . 1 . . . . . . . . 6953 1 1250 . 1 1 109 109 GLU HG2 H 1 2.392 0.008 . 1 . . . . . . . . 6953 1 1251 . 1 1 109 109 GLU HG3 H 1 2.330 0.020 . 1 . . . . . . . . 6953 1 1252 . 1 1 109 109 GLU C C 13 179.051 0.007 . 1 . . . . . . . . 6953 1 1253 . 1 1 109 109 GLU CA C 13 60.252 0.218 . 1 . . . . . . . . 6953 1 1254 . 1 1 109 109 GLU CB C 13 29.316 0.140 . 1 . . . . . . . . 6953 1 1255 . 1 1 109 109 GLU CG C 13 36.701 0.255 . 1 . . . . . . . . 6953 1 1256 . 1 1 109 109 GLU N N 15 119.724 0.026 . 1 . . . . . . . . 6953 1 1257 . 1 1 110 110 THR H H 1 7.914 0.005 . 1 . . . . . . . . 6953 1 1258 . 1 1 110 110 THR HA H 1 3.798 0.014 . 1 . . . . . . . . 6953 1 1259 . 1 1 110 110 THR HB H 1 3.717 0.014 . 1 . . . . . . . . 6953 1 1260 . 1 1 110 110 THR HG21 H 1 0.638 0.016 . 1 . . . . . . . . 6953 1 1261 . 1 1 110 110 THR HG22 H 1 0.638 0.016 . 1 . . . . . . . . 6953 1 1262 . 1 1 110 110 THR HG23 H 1 0.638 0.016 . 1 . . . . . . . . 6953 1 1263 . 1 1 110 110 THR C C 13 175.282 0.100 . 1 . . . . . . . . 6953 1 1264 . 1 1 110 110 THR CA C 13 66.956 0.182 . 1 . . . . . . . . 6953 1 1265 . 1 1 110 110 THR CB C 13 68.846 0.153 . 1 . . . . . . . . 6953 1 1266 . 1 1 110 110 THR CG2 C 13 20.999 0.027 . 1 . . . . . . . . 6953 1 1267 . 1 1 110 110 THR N N 15 116.331 0.022 . 1 . . . . . . . . 6953 1 1268 . 1 1 111 111 ASP H H 1 7.481 0.004 . 1 . . . . . . . . 6953 1 1269 . 1 1 111 111 ASP HA H 1 4.532 0.015 . 1 . . . . . . . . 6953 1 1270 . 1 1 111 111 ASP HB2 H 1 3.391 0.013 . 1 . . . . . . . . 6953 1 1271 . 1 1 111 111 ASP HB3 H 1 2.557 0.040 . 1 . . . . . . . . 6953 1 1272 . 1 1 111 111 ASP CA C 13 58.587 0.156 . 1 . . . . . . . . 6953 1 1273 . 1 1 111 111 ASP CB C 13 42.274 0.247 . 1 . . . . . . . . 6953 1 1274 . 1 1 111 111 ASP N N 15 119.524 0.049 . 1 . . . . . . . . 6953 1 1275 . 1 1 112 112 ILE H H 1 8.068 0.010 . 1 . . . . . . . . 6953 1 1276 . 1 1 112 112 ILE HA H 1 3.434 0.017 . 1 . . . . . . . . 6953 1 1277 . 1 1 112 112 ILE HB H 1 1.954 0.012 . 1 . . . . . . . . 6953 1 1278 . 1 1 112 112 ILE HG12 H 1 1.552 0.016 . 1 . . . . . . . . 6953 1 1279 . 1 1 112 112 ILE HG13 H 1 1.296 0.015 . 1 . . . . . . . . 6953 1 1280 . 1 1 112 112 ILE HG21 H 1 0.842 0.009 . 1 . . . . . . . . 6953 1 1281 . 1 1 112 112 ILE HG22 H 1 0.842 0.009 . 1 . . . . . . . . 6953 1 1282 . 1 1 112 112 ILE HG23 H 1 0.842 0.009 . 1 . . . . . . . . 6953 1 1283 . 1 1 112 112 ILE HD11 H 1 0.722 0.012 . 1 . . . . . . . . 6953 1 1284 . 1 1 112 112 ILE HD12 H 1 0.722 0.012 . 1 . . . . . . . . 6953 1 1285 . 1 1 112 112 ILE HD13 H 1 0.722 0.012 . 1 . . . . . . . . 6953 1 1286 . 1 1 112 112 ILE C C 13 177.356 0.006 . 1 . . . . . . . . 6953 1 1287 . 1 1 112 112 ILE CA C 13 64.771 0.226 . 1 . . . . . . . . 6953 1 1288 . 1 1 112 112 ILE CB C 13 37.122 0.234 . 1 . . . . . . . . 6953 1 1289 . 1 1 112 112 ILE CG1 C 13 28.767 0.294 . 1 . . . . . . . . 6953 1 1290 . 1 1 112 112 ILE CG2 C 13 17.558 0.161 . 1 . . . . . . . . 6953 1 1291 . 1 1 112 112 ILE CD1 C 13 11.564 0.318 . 1 . . . . . . . . 6953 1 1292 . 1 1 112 112 ILE N N 15 118.956 0.060 . 1 . . . . . . . . 6953 1 1293 . 1 1 113 113 LYS H H 1 7.742 0.013 . 1 . . . . . . . . 6953 1 1294 . 1 1 113 113 LYS HA H 1 4.059 0.015 . 1 . . . . . . . . 6953 1 1295 . 1 1 113 113 LYS HB2 H 1 1.881 0.017 . 1 . . . . . . . . 6953 1 1296 . 1 1 113 113 LYS HB3 H 1 1.630 0.010 . 1 . . . . . . . . 6953 1 1297 . 1 1 113 113 LYS HG2 H 1 1.571 0.012 . 1 . . . . . . . . 6953 1 1298 . 1 1 113 113 LYS HG3 H 1 1.413 0.009 . 1 . . . . . . . . 6953 1 1299 . 1 1 113 113 LYS HD2 H 1 1.663 0.006 . 2 . . . . . . . . 6953 1 1300 . 1 1 113 113 LYS HD3 H 1 1.663 0.006 . 2 . . . . . . . . 6953 1 1301 . 1 1 113 113 LYS HE2 H 1 2.916 0.012 . 2 . . . . . . . . 6953 1 1302 . 1 1 113 113 LYS HE3 H 1 2.916 0.012 . 2 . . . . . . . . 6953 1 1303 . 1 1 113 113 LYS C C 13 180.165 0.100 . 1 . . . . . . . . 6953 1 1304 . 1 1 113 113 LYS CA C 13 59.612 0.168 . 1 . . . . . . . . 6953 1 1305 . 1 1 113 113 LYS CB C 13 32.581 0.131 . 1 . . . . . . . . 6953 1 1306 . 1 1 113 113 LYS CG C 13 25.575 0.254 . 1 . . . . . . . . 6953 1 1307 . 1 1 113 113 LYS CD C 13 29.421 0.029 . 1 . . . . . . . . 6953 1 1308 . 1 1 113 113 LYS CE C 13 41.710 0.050 . 1 . . . . . . . . 6953 1 1309 . 1 1 113 113 LYS N N 15 119.559 0.051 . 1 . . . . . . . . 6953 1 1310 . 1 1 114 114 ILE H H 1 7.979 0.006 . 1 . . . . . . . . 6953 1 1311 . 1 1 114 114 ILE HA H 1 3.626 0.012 . 1 . . . . . . . . 6953 1 1312 . 1 1 114 114 ILE HB H 1 1.933 0.012 . 1 . . . . . . . . 6953 1 1313 . 1 1 114 114 ILE HG12 H 1 1.563 0.011 . 1 . . . . . . . . 6953 1 1314 . 1 1 114 114 ILE HG13 H 1 1.302 0.001 . 1 . . . . . . . . 6953 1 1315 . 1 1 114 114 ILE HG21 H 1 0.802 0.013 . 1 . . . . . . . . 6953 1 1316 . 1 1 114 114 ILE HG22 H 1 0.802 0.013 . 1 . . . . . . . . 6953 1 1317 . 1 1 114 114 ILE HG23 H 1 0.802 0.013 . 1 . . . . . . . . 6953 1 1318 . 1 1 114 114 ILE HD11 H 1 0.646 0.016 . 1 . . . . . . . . 6953 1 1319 . 1 1 114 114 ILE HD12 H 1 0.646 0.016 . 1 . . . . . . . . 6953 1 1320 . 1 1 114 114 ILE HD13 H 1 0.646 0.016 . 1 . . . . . . . . 6953 1 1321 . 1 1 114 114 ILE C C 13 177.724 0.100 . 1 . . . . . . . . 6953 1 1322 . 1 1 114 114 ILE CA C 13 65.022 0.223 . 1 . . . . . . . . 6953 1 1323 . 1 1 114 114 ILE CB C 13 37.736 0.215 . 1 . . . . . . . . 6953 1 1324 . 1 1 114 114 ILE CG1 C 13 29.018 0.173 . 1 . . . . . . . . 6953 1 1325 . 1 1 114 114 ILE CG2 C 13 18.934 0.275 . 1 . . . . . . . . 6953 1 1326 . 1 1 114 114 ILE CD1 C 13 13.901 0.276 . 1 . . . . . . . . 6953 1 1327 . 1 1 114 114 ILE N N 15 119.847 0.055 . 1 . . . . . . . . 6953 1 1328 . 1 1 115 115 MET H H 1 8.817 0.030 . 1 . . . . . . . . 6953 1 1329 . 1 1 115 115 MET HA H 1 3.446 0.015 . 1 . . . . . . . . 6953 1 1330 . 1 1 115 115 MET HB2 H 1 1.979 0.019 . 1 . . . . . . . . 6953 1 1331 . 1 1 115 115 MET HB3 H 1 1.666 0.014 . 1 . . . . . . . . 6953 1 1332 . 1 1 115 115 MET HG2 H 1 2.074 0.018 . 1 . . . . . . . . 6953 1 1333 . 1 1 115 115 MET HG3 H 1 2.099 0.065 . 1 . . . . . . . . 6953 1 1334 . 1 1 115 115 MET HE1 H 1 1.494 0.009 . 1 . . . . . . . . 6953 1 1335 . 1 1 115 115 MET HE2 H 1 1.494 0.009 . 1 . . . . . . . . 6953 1 1336 . 1 1 115 115 MET HE3 H 1 1.494 0.009 . 1 . . . . . . . . 6953 1 1337 . 1 1 115 115 MET C C 13 177.811 0.013 . 1 . . . . . . . . 6953 1 1338 . 1 1 115 115 MET CA C 13 60.402 0.257 . 1 . . . . . . . . 6953 1 1339 . 1 1 115 115 MET CB C 13 34.092 0.307 . 1 . . . . . . . . 6953 1 1340 . 1 1 115 115 MET CG C 13 32.434 0.156 . 1 . . . . . . . . 6953 1 1341 . 1 1 115 115 MET CE C 13 16.601 0.028 . 1 . . . . . . . . 6953 1 1342 . 1 1 115 115 MET N N 15 119.264 0.038 . 1 . . . . . . . . 6953 1 1343 . 1 1 116 116 GLU H H 1 8.526 0.008 . 1 . . . . . . . . 6953 1 1344 . 1 1 116 116 GLU HA H 1 3.635 0.009 . 1 . . . . . . . . 6953 1 1345 . 1 1 116 116 GLU HB2 H 1 2.208 0.013 . 1 . . . . . . . . 6953 1 1346 . 1 1 116 116 GLU HB3 H 1 1.964 0.005 . 1 . . . . . . . . 6953 1 1347 . 1 1 116 116 GLU HG2 H 1 2.568 0.018 . 1 . . . . . . . . 6953 1 1348 . 1 1 116 116 GLU HG3 H 1 2.124 0.008 . 1 . . . . . . . . 6953 1 1349 . 1 1 116 116 GLU C C 13 178.321 0.200 . 1 . . . . . . . . 6953 1 1350 . 1 1 116 116 GLU CA C 13 60.849 0.235 . 1 . . . . . . . . 6953 1 1351 . 1 1 116 116 GLU CB C 13 29.061 0.100 . 1 . . . . . . . . 6953 1 1352 . 1 1 116 116 GLU CG C 13 37.266 0.366 . 1 . . . . . . . . 6953 1 1353 . 1 1 116 116 GLU N N 15 117.203 0.057 . 1 . . . . . . . . 6953 1 1354 . 1 1 117 117 ARG H H 1 7.215 0.008 . 1 . . . . . . . . 6953 1 1355 . 1 1 117 117 ARG HA H 1 4.145 0.023 . 1 . . . . . . . . 6953 1 1356 . 1 1 117 117 ARG HB2 H 1 1.928 0.010 . 1 . . . . . . . . 6953 1 1357 . 1 1 117 117 ARG HB3 H 1 1.871 0.007 . 1 . . . . . . . . 6953 1 1358 . 1 1 117 117 ARG HG2 H 1 1.631 0.008 . 1 . . . . . . . . 6953 1 1359 . 1 1 117 117 ARG HG3 H 1 1.804 0.025 . 1 . . . . . . . . 6953 1 1360 . 1 1 117 117 ARG HD2 H 1 3.271 0.037 . 1 . . . . . . . . 6953 1 1361 . 1 1 117 117 ARG HD3 H 1 3.188 0.012 . 1 . . . . . . . . 6953 1 1362 . 1 1 117 117 ARG HE H 1 7.317 0.009 . 1 . . . . . . . . 6953 1 1363 . 1 1 117 117 ARG C C 13 179.216 0.004 . 1 . . . . . . . . 6953 1 1364 . 1 1 117 117 ARG CA C 13 58.865 0.228 . 1 . . . . . . . . 6953 1 1365 . 1 1 117 117 ARG CB C 13 30.618 0.289 . 1 . . . . . . . . 6953 1 1366 . 1 1 117 117 ARG CG C 13 27.617 0.104 . 1 . . . . . . . . 6953 1 1367 . 1 1 117 117 ARG CD C 13 43.890 0.142 . 1 . . . . . . . . 6953 1 1368 . 1 1 117 117 ARG N N 15 118.060 0.064 . 1 . . . . . . . . 6953 1 1369 . 1 1 117 117 ARG NE N 15 87.890 8.710 . 1 . . . . . . . . 6953 1 1370 . 1 1 118 118 VAL H H 1 8.270 0.008 . 1 . . . . . . . . 6953 1 1371 . 1 1 118 118 VAL HA H 1 3.518 0.021 . 1 . . . . . . . . 6953 1 1372 . 1 1 118 118 VAL HB H 1 2.110 0.009 . 1 . . . . . . . . 6953 1 1373 . 1 1 118 118 VAL HG11 H 1 1.110 0.016 . 1 . . . . . . . . 6953 1 1374 . 1 1 118 118 VAL HG12 H 1 1.110 0.016 . 1 . . . . . . . . 6953 1 1375 . 1 1 118 118 VAL HG13 H 1 1.110 0.016 . 1 . . . . . . . . 6953 1 1376 . 1 1 118 118 VAL HG21 H 1 1.041 0.023 . 1 . . . . . . . . 6953 1 1377 . 1 1 118 118 VAL HG22 H 1 1.041 0.023 . 1 . . . . . . . . 6953 1 1378 . 1 1 118 118 VAL HG23 H 1 1.041 0.023 . 1 . . . . . . . . 6953 1 1379 . 1 1 118 118 VAL C C 13 177.781 0.010 . 1 . . . . . . . . 6953 1 1380 . 1 1 118 118 VAL CA C 13 66.515 0.224 . 1 . . . . . . . . 6953 1 1381 . 1 1 118 118 VAL CB C 13 32.726 0.197 . 1 . . . . . . . . 6953 1 1382 . 1 1 118 118 VAL CG1 C 13 21.663 0.213 . 1 . . . . . . . . 6953 1 1383 . 1 1 118 118 VAL CG2 C 13 23.917 0.140 . 1 . . . . . . . . 6953 1 1384 . 1 1 118 118 VAL N N 15 120.393 0.071 . 1 . . . . . . . . 6953 1 1385 . 1 1 119 119 VAL H H 1 9.002 0.012 . 1 . . . . . . . . 6953 1 1386 . 1 1 119 119 VAL HA H 1 3.659 0.011 . 1 . . . . . . . . 6953 1 1387 . 1 1 119 119 VAL HB H 1 2.180 0.014 . 1 . . . . . . . . 6953 1 1388 . 1 1 119 119 VAL HG11 H 1 0.951 0.017 . 1 . . . . . . . . 6953 1 1389 . 1 1 119 119 VAL HG12 H 1 0.951 0.017 . 1 . . . . . . . . 6953 1 1390 . 1 1 119 119 VAL HG13 H 1 0.951 0.017 . 1 . . . . . . . . 6953 1 1391 . 1 1 119 119 VAL HG21 H 1 1.223 0.012 . 1 . . . . . . . . 6953 1 1392 . 1 1 119 119 VAL HG22 H 1 1.223 0.012 . 1 . . . . . . . . 6953 1 1393 . 1 1 119 119 VAL HG23 H 1 1.223 0.012 . 1 . . . . . . . . 6953 1 1394 . 1 1 119 119 VAL C C 13 177.464 0.060 . 1 . . . . . . . . 6953 1 1395 . 1 1 119 119 VAL CA C 13 66.361 0.210 . 1 . . . . . . . . 6953 1 1396 . 1 1 119 119 VAL CB C 13 31.551 0.239 . 1 . . . . . . . . 6953 1 1397 . 1 1 119 119 VAL CG1 C 13 24.702 0.244 . 1 . . . . . . . . 6953 1 1398 . 1 1 119 119 VAL CG2 C 13 25.387 0.077 . 1 . . . . . . . . 6953 1 1399 . 1 1 119 119 VAL N N 15 119.272 0.040 . 1 . . . . . . . . 6953 1 1400 . 1 1 120 120 GLU H H 1 8.144 0.009 . 1 . . . . . . . . 6953 1 1401 . 1 1 120 120 GLU HA H 1 3.557 0.009 . 1 . . . . . . . . 6953 1 1402 . 1 1 120 120 GLU HB2 H 1 2.162 0.006 . 1 . . . . . . . . 6953 1 1403 . 1 1 120 120 GLU HG2 H 1 2.138 0.006 . 1 . . . . . . . . 6953 1 1404 . 1 1 120 120 GLU HG3 H 1 2.333 0.006 . 1 . . . . . . . . 6953 1 1405 . 1 1 120 120 GLU C C 13 177.572 0.004 . 1 . . . . . . . . 6953 1 1406 . 1 1 120 120 GLU CA C 13 61.157 0.173 . 1 . . . . . . . . 6953 1 1407 . 1 1 120 120 GLU CB C 13 29.579 0.183 . 1 . . . . . . . . 6953 1 1408 . 1 1 120 120 GLU CG C 13 36.545 0.133 . 1 . . . . . . . . 6953 1 1409 . 1 1 120 120 GLU N N 15 121.272 0.054 . 1 . . . . . . . . 6953 1 1410 . 1 1 121 121 GLN H H 1 7.205 0.011 . 1 . . . . . . . . 6953 1 1411 . 1 1 121 121 GLN HA H 1 3.959 0.014 . 1 . . . . . . . . 6953 1 1412 . 1 1 121 121 GLN HB2 H 1 2.176 0.007 . 1 . . . . . . . . 6953 1 1413 . 1 1 121 121 GLN HB3 H 1 2.224 0.007 . 1 . . . . . . . . 6953 1 1414 . 1 1 121 121 GLN HG2 H 1 2.489 0.013 . 1 . . . . . . . . 6953 1 1415 . 1 1 121 121 GLN HG3 H 1 2.408 0.019 . 1 . . . . . . . . 6953 1 1416 . 1 1 121 121 GLN HE21 H 1 7.577 0.001 . 1 . . . . . . . . 6953 1 1417 . 1 1 121 121 GLN HE22 H 1 6.860 0.008 . 1 . . . . . . . . 6953 1 1418 . 1 1 121 121 GLN C C 13 178.878 0.003 . 1 . . . . . . . . 6953 1 1419 . 1 1 121 121 GLN CA C 13 58.872 0.277 . 1 . . . . . . . . 6953 1 1420 . 1 1 121 121 GLN CB C 13 28.111 0.202 . 1 . . . . . . . . 6953 1 1421 . 1 1 121 121 GLN CG C 13 34.137 0.145 . 1 . . . . . . . . 6953 1 1422 . 1 1 121 121 GLN N N 15 115.038 0.042 . 1 . . . . . . . . 6953 1 1423 . 1 1 121 121 GLN NE2 N 15 111.433 0.010 . 1 . . . . . . . . 6953 1 1424 . 1 1 122 122 MET H H 1 7.970 0.010 . 1 . . . . . . . . 6953 1 1425 . 1 1 122 122 MET HA H 1 4.107 0.019 . 1 . . . . . . . . 6953 1 1426 . 1 1 122 122 MET HB2 H 1 2.184 0.012 . 1 . . . . . . . . 6953 1 1427 . 1 1 122 122 MET HB3 H 1 2.324 0.014 . 1 . . . . . . . . 6953 1 1428 . 1 1 122 122 MET HG2 H 1 2.745 0.015 . 1 . . . . . . . . 6953 1 1429 . 1 1 122 122 MET HG3 H 1 2.494 0.012 . 1 . . . . . . . . 6953 1 1430 . 1 1 122 122 MET HE1 H 1 2.180 0.007 . 1 . . . . . . . . 6953 1 1431 . 1 1 122 122 MET HE2 H 1 2.180 0.007 . 1 . . . . . . . . 6953 1 1432 . 1 1 122 122 MET HE3 H 1 2.180 0.007 . 1 . . . . . . . . 6953 1 1433 . 1 1 122 122 MET C C 13 178.384 0.002 . 1 . . . . . . . . 6953 1 1434 . 1 1 122 122 MET CA C 13 60.147 0.214 . 1 . . . . . . . . 6953 1 1435 . 1 1 122 122 MET CB C 13 36.079 0.888 . 1 . . . . . . . . 6953 1 1436 . 1 1 122 122 MET CG C 13 32.745 0.101 . 1 . . . . . . . . 6953 1 1437 . 1 1 122 122 MET CE C 13 18.019 0.023 . 1 . . . . . . . . 6953 1 1438 . 1 1 122 122 MET N N 15 119.414 0.040 . 1 . . . . . . . . 6953 1 1439 . 1 1 123 123 CYS H H 1 9.244 0.007 . 1 . . . . . . . . 6953 1 1440 . 1 1 123 123 CYS HA H 1 4.370 0.017 . 1 . . . . . . . . 6953 1 1441 . 1 1 123 123 CYS HB2 H 1 3.550 0.011 . 1 . . . . . . . . 6953 1 1442 . 1 1 123 123 CYS HB3 H 1 2.863 0.019 . 1 . . . . . . . . 6953 1 1443 . 1 1 123 123 CYS C C 13 176.857 0.110 . 1 . . . . . . . . 6953 1 1444 . 1 1 123 123 CYS CA C 13 60.243 0.237 . 1 . . . . . . . . 6953 1 1445 . 1 1 123 123 CYS CB C 13 42.406 0.262 . 1 . . . . . . . . 6953 1 1446 . 1 1 123 123 CYS N N 15 119.042 0.070 . 1 . . . . . . . . 6953 1 1447 . 1 1 124 124 ILE H H 1 8.351 0.008 . 1 . . . . . . . . 6953 1 1448 . 1 1 124 124 ILE HA H 1 3.470 0.015 . 1 . . . . . . . . 6953 1 1449 . 1 1 124 124 ILE HB H 1 1.970 0.017 . 1 . . . . . . . . 6953 1 1450 . 1 1 124 124 ILE HG12 H 1 1.549 0.010 . 1 . . . . . . . . 6953 1 1451 . 1 1 124 124 ILE HG13 H 1 1.308 0.010 . 1 . . . . . . . . 6953 1 1452 . 1 1 124 124 ILE HG21 H 1 0.853 0.014 . 1 . . . . . . . . 6953 1 1453 . 1 1 124 124 ILE HG22 H 1 0.853 0.014 . 1 . . . . . . . . 6953 1 1454 . 1 1 124 124 ILE HG23 H 1 0.853 0.014 . 1 . . . . . . . . 6953 1 1455 . 1 1 124 124 ILE HD11 H 1 0.825 0.010 . 1 . . . . . . . . 6953 1 1456 . 1 1 124 124 ILE HD12 H 1 0.825 0.010 . 1 . . . . . . . . 6953 1 1457 . 1 1 124 124 ILE HD13 H 1 0.825 0.010 . 1 . . . . . . . . 6953 1 1458 . 1 1 124 124 ILE C C 13 177.739 0.100 . 1 . . . . . . . . 6953 1 1459 . 1 1 124 124 ILE CA C 13 67.047 0.216 . 1 . . . . . . . . 6953 1 1460 . 1 1 124 124 ILE CB C 13 38.763 0.070 . 1 . . . . . . . . 6953 1 1461 . 1 1 124 124 ILE CG1 C 13 28.770 0.173 . 1 . . . . . . . . 6953 1 1462 . 1 1 124 124 ILE CG2 C 13 17.440 0.223 . 1 . . . . . . . . 6953 1 1463 . 1 1 124 124 ILE CD1 C 13 14.473 0.050 . 1 . . . . . . . . 6953 1 1464 . 1 1 124 124 ILE N N 15 123.676 0.041 . 1 . . . . . . . . 6953 1 1465 . 1 1 125 125 THR H H 1 8.092 0.008 . 1 . . . . . . . . 6953 1 1466 . 1 1 125 125 THR HA H 1 3.886 0.009 . 1 . . . . . . . . 6953 1 1467 . 1 1 125 125 THR HB H 1 4.307 0.010 . 1 . . . . . . . . 6953 1 1468 . 1 1 125 125 THR HG21 H 1 1.240 0.011 . 1 . . . . . . . . 6953 1 1469 . 1 1 125 125 THR HG22 H 1 1.240 0.011 . 1 . . . . . . . . 6953 1 1470 . 1 1 125 125 THR HG23 H 1 1.240 0.011 . 1 . . . . . . . . 6953 1 1471 . 1 1 125 125 THR C C 13 176.495 0.120 . 1 . . . . . . . . 6953 1 1472 . 1 1 125 125 THR CA C 13 67.289 0.198 . 1 . . . . . . . . 6953 1 1473 . 1 1 125 125 THR CB C 13 68.571 0.202 . 1 . . . . . . . . 6953 1 1474 . 1 1 125 125 THR CG2 C 13 22.448 0.172 . 1 . . . . . . . . 6953 1 1475 . 1 1 125 125 THR N N 15 118.320 0.102 . 1 . . . . . . . . 6953 1 1476 . 1 1 126 126 GLN H H 1 8.745 0.011 . 1 . . . . . . . . 6953 1 1477 . 1 1 126 126 GLN HA H 1 3.682 0.018 . 1 . . . . . . . . 6953 1 1478 . 1 1 126 126 GLN HB2 H 1 2.324 0.009 . 2 . . . . . . . . 6953 1 1479 . 1 1 126 126 GLN HG2 H 1 1.653 0.020 . 1 . . . . . . . . 6953 1 1480 . 1 1 126 126 GLN C C 13 177.680 0.002 . 1 . . . . . . . . 6953 1 1481 . 1 1 126 126 GLN CA C 13 59.039 0.220 . 1 . . . . . . . . 6953 1 1482 . 1 1 126 126 GLN CB C 13 28.602 0.140 . 1 . . . . . . . . 6953 1 1483 . 1 1 126 126 GLN CG C 13 33.385 0.010 . 1 . . . . . . . . 6953 1 1484 . 1 1 126 126 GLN N N 15 122.543 0.057 . 1 . . . . . . . . 6953 1 1485 . 1 1 127 127 TYR H H 1 8.505 0.006 . 1 . . . . . . . . 6953 1 1486 . 1 1 127 127 TYR HA H 1 2.940 0.012 . 1 . . . . . . . . 6953 1 1487 . 1 1 127 127 TYR HB2 H 1 2.567 0.007 . 1 . . . . . . . . 6953 1 1488 . 1 1 127 127 TYR HB3 H 1 2.115 0.016 . 1 . . . . . . . . 6953 1 1489 . 1 1 127 127 TYR HD1 H 1 6.199 0.069 . 3 . . . . . . . . 6953 1 1490 . 1 1 127 127 TYR HE1 H 1 7.139 0.004 . 1 . . . . . . . . 6953 1 1491 . 1 1 127 127 TYR HE2 H 1 8.287 0.001 . 1 . . . . . . . . 6953 1 1492 . 1 1 127 127 TYR C C 13 178.468 0.020 . 1 . . . . . . . . 6953 1 1493 . 1 1 127 127 TYR CA C 13 62.388 0.189 . 1 . . . . . . . . 6953 1 1494 . 1 1 127 127 TYR CB C 13 37.413 0.095 . 1 . . . . . . . . 6953 1 1495 . 1 1 127 127 TYR N N 15 120.064 0.033 . 1 . . . . . . . . 6953 1 1496 . 1 1 128 128 GLN H H 1 8.346 0.030 . 1 . . . . . . . . 6953 1 1497 . 1 1 128 128 GLN HA H 1 3.747 0.013 . 1 . . . . . . . . 6953 1 1498 . 1 1 128 128 GLN HB2 H 1 2.337 0.006 . 1 . . . . . . . . 6953 1 1499 . 1 1 128 128 GLN HB3 H 1 2.088 0.006 . 1 . . . . . . . . 6953 1 1500 . 1 1 128 128 GLN HG2 H 1 2.723 0.010 . 1 . . . . . . . . 6953 1 1501 . 1 1 128 128 GLN HG3 H 1 2.480 0.016 . 1 . . . . . . . . 6953 1 1502 . 1 1 128 128 GLN CA C 13 59.280 0.214 . 1 . . . . . . . . 6953 1 1503 . 1 1 128 128 GLN CB C 13 27.933 0.088 . 1 . . . . . . . . 6953 1 1504 . 1 1 128 128 GLN CG C 13 34.058 0.228 . 1 . . . . . . . . 6953 1 1505 . 1 1 128 128 GLN N N 15 120.275 0.368 . 1 . . . . . . . . 6953 1 1506 . 1 1 129 129 GLN H H 1 8.268 0.071 . 1 . . . . . . . . 6953 1 1507 . 1 1 129 129 GLN HA H 1 4.004 0.011 . 1 . . . . . . . . 6953 1 1508 . 1 1 129 129 GLN HB2 H 1 2.098 0.013 . 1 . . . . . . . . 6953 1 1509 . 1 1 129 129 GLN HB3 H 1 2.040 0.090 . 1 . . . . . . . . 6953 1 1510 . 1 1 129 129 GLN HG2 H 1 2.346 0.016 . 1 . . . . . . . . 6953 1 1511 . 1 1 129 129 GLN HG3 H 1 2.448 0.028 . 1 . . . . . . . . 6953 1 1512 . 1 1 129 129 GLN C C 13 179.608 0.013 . 1 . . . . . . . . 6953 1 1513 . 1 1 129 129 GLN CA C 13 59.144 0.243 . 1 . . . . . . . . 6953 1 1514 . 1 1 129 129 GLN CB C 13 28.913 0.188 . 1 . . . . . . . . 6953 1 1515 . 1 1 129 129 GLN CG C 13 34.290 0.166 . 1 . . . . . . . . 6953 1 1516 . 1 1 129 129 GLN N N 15 119.006 0.053 . 1 . . . . . . . . 6953 1 1517 . 1 1 130 130 GLU H H 1 8.504 0.007 . 1 . . . . . . . . 6953 1 1518 . 1 1 130 130 GLU HA H 1 4.087 0.016 . 1 . . . . . . . . 6953 1 1519 . 1 1 130 130 GLU HB2 H 1 2.172 0.010 . 1 . . . . . . . . 6953 1 1520 . 1 1 130 130 GLU HB3 H 1 1.887 0.012 . 1 . . . . . . . . 6953 1 1521 . 1 1 130 130 GLU HG2 H 1 2.190 0.009 . 1 . . . . . . . . 6953 1 1522 . 1 1 130 130 GLU HG3 H 1 2.411 0.013 . 1 . . . . . . . . 6953 1 1523 . 1 1 130 130 GLU C C 13 179.687 0.046 . 1 . . . . . . . . 6953 1 1524 . 1 1 130 130 GLU CA C 13 58.356 0.182 . 1 . . . . . . . . 6953 1 1525 . 1 1 130 130 GLU CB C 13 30.593 0.307 . 1 . . . . . . . . 6953 1 1526 . 1 1 130 130 GLU CG C 13 37.105 0.087 . 1 . . . . . . . . 6953 1 1527 . 1 1 130 130 GLU N N 15 118.879 0.042 . 1 . . . . . . . . 6953 1 1528 . 1 1 131 131 SER H H 1 8.449 0.007 . 1 . . . . . . . . 6953 1 1529 . 1 1 131 131 SER HA H 1 3.968 0.011 . 1 . . . . . . . . 6953 1 1530 . 1 1 131 131 SER HB2 H 1 3.574 0.015 . 1 . . . . . . . . 6953 1 1531 . 1 1 131 131 SER HB3 H 1 3.367 0.007 . 1 . . . . . . . . 6953 1 1532 . 1 1 131 131 SER C C 13 176.632 0.001 . 1 . . . . . . . . 6953 1 1533 . 1 1 131 131 SER CA C 13 61.768 0.205 . 1 . . . . . . . . 6953 1 1534 . 1 1 131 131 SER CB C 13 62.394 0.213 . 1 . . . . . . . . 6953 1 1535 . 1 1 131 131 SER N N 15 116.762 0.048 . 1 . . . . . . . . 6953 1 1536 . 1 1 132 132 GLN H H 1 7.828 0.006 . 1 . . . . . . . . 6953 1 1537 . 1 1 132 132 GLN HA H 1 4.174 0.005 . 1 . . . . . . . . 6953 1 1538 . 1 1 132 132 GLN HB2 H 1 2.147 0.006 . 2 . . . . . . . . 6953 1 1539 . 1 1 132 132 GLN HG2 H 1 2.483 0.010 . 1 . . . . . . . . 6953 1 1540 . 1 1 132 132 GLN HG3 H 1 2.432 0.009 . 1 . . . . . . . . 6953 1 1541 . 1 1 132 132 GLN HE21 H 1 7.431 0.001 . 1 . . . . . . . . 6953 1 1542 . 1 1 132 132 GLN HE22 H 1 6.789 0.016 . 1 . . . . . . . . 6953 1 1543 . 1 1 132 132 GLN C C 13 178.058 0.006 . 1 . . . . . . . . 6953 1 1544 . 1 1 132 132 GLN CA C 13 58.719 0.181 . 1 . . . . . . . . 6953 1 1545 . 1 1 132 132 GLN CB C 13 28.381 0.174 . 1 . . . . . . . . 6953 1 1546 . 1 1 132 132 GLN CG C 13 34.107 0.165 . 1 . . . . . . . . 6953 1 1547 . 1 1 132 132 GLN N N 15 122.383 0.034 . 1 . . . . . . . . 6953 1 1548 . 1 1 132 132 GLN NE2 N 15 110.795 0.108 . 1 . . . . . . . . 6953 1 1549 . 1 1 133 133 ALA H H 1 7.842 0.009 . 1 . . . . . . . . 6953 1 1550 . 1 1 133 133 ALA HA H 1 4.193 0.011 . 1 . . . . . . . . 6953 1 1551 . 1 1 133 133 ALA HB1 H 1 1.504 0.015 . 1 . . . . . . . . 6953 1 1552 . 1 1 133 133 ALA HB2 H 1 1.504 0.015 . 1 . . . . . . . . 6953 1 1553 . 1 1 133 133 ALA HB3 H 1 1.504 0.015 . 1 . . . . . . . . 6953 1 1554 . 1 1 133 133 ALA C C 13 180.081 0.049 . 1 . . . . . . . . 6953 1 1555 . 1 1 133 133 ALA CA C 13 55.095 0.178 . 1 . . . . . . . . 6953 1 1556 . 1 1 133 133 ALA CB C 13 18.403 0.173 . 1 . . . . . . . . 6953 1 1557 . 1 1 133 133 ALA N N 15 122.285 0.043 . 1 . . . . . . . . 6953 1 1558 . 1 1 134 134 ALA H H 1 8.004 0.009 . 1 . . . . . . . . 6953 1 1559 . 1 1 134 134 ALA HA H 1 4.067 0.014 . 1 . . . . . . . . 6953 1 1560 . 1 1 134 134 ALA HB1 H 1 1.455 0.012 . 1 . . . . . . . . 6953 1 1561 . 1 1 134 134 ALA HB2 H 1 1.455 0.012 . 1 . . . . . . . . 6953 1 1562 . 1 1 134 134 ALA HB3 H 1 1.455 0.012 . 1 . . . . . . . . 6953 1 1563 . 1 1 134 134 ALA C C 13 180.264 0.040 . 1 . . . . . . . . 6953 1 1564 . 1 1 134 134 ALA CA C 13 55.200 0.161 . 1 . . . . . . . . 6953 1 1565 . 1 1 134 134 ALA CB C 13 18.401 0.166 . 1 . . . . . . . . 6953 1 1566 . 1 1 134 134 ALA N N 15 120.813 0.026 . 1 . . . . . . . . 6953 1 1567 . 1 1 135 135 TYR H H 1 7.969 0.002 . 1 . . . . . . . . 6953 1 1568 . 1 1 135 135 TYR HA H 1 4.325 0.013 . 1 . . . . . . . . 6953 1 1569 . 1 1 135 135 TYR HB2 H 1 3.197 0.012 . 1 . . . . . . . . 6953 1 1570 . 1 1 135 135 TYR HB3 H 1 3.174 0.010 . 1 . . . . . . . . 6953 1 1571 . 1 1 135 135 TYR HD1 H 1 7.128 0.011 . 3 . . . . . . . . 6953 1 1572 . 1 1 135 135 TYR C C 13 177.633 0.030 . 1 . . . . . . . . 6953 1 1573 . 1 1 135 135 TYR CA C 13 60.709 0.209 . 1 . . . . . . . . 6953 1 1574 . 1 1 135 135 TYR CB C 13 38.235 0.171 . 1 . . . . . . . . 6953 1 1575 . 1 1 135 135 TYR CD1 C 13 128.978 0.010 . 1 . . . . . . . . 6953 1 1576 . 1 1 135 135 TYR CD2 C 13 128.978 0.003 . 1 . . . . . . . . 6953 1 1577 . 1 1 135 135 TYR N N 15 120.680 0.018 . 1 . . . . . . . . 6953 1 1578 . 1 1 136 136 GLN H H 1 8.107 0.006 . 1 . . . . . . . . 6953 1 1579 . 1 1 136 136 GLN HA H 1 3.922 0.014 . 1 . . . . . . . . 6953 1 1580 . 1 1 136 136 GLN HB2 H 1 2.174 0.006 . 2 . . . . . . . . 6953 1 1581 . 1 1 136 136 GLN HB3 H 1 2.174 0.006 . 2 . . . . . . . . 6953 1 1582 . 1 1 136 136 GLN HG2 H 1 2.502 0.014 . 2 . . . . . . . . 6953 1 1583 . 1 1 136 136 GLN HE21 H 1 7.577 0.002 . 1 . . . . . . . . 6953 1 1584 . 1 1 136 136 GLN HE22 H 1 6.868 0.025 . 1 . . . . . . . . 6953 1 1585 . 1 1 136 136 GLN C C 13 178.660 0.002 . 1 . . . . . . . . 6953 1 1586 . 1 1 136 136 GLN CA C 13 58.486 0.141 . 1 . . . . . . . . 6953 1 1587 . 1 1 136 136 GLN CB C 13 28.412 0.269 . 1 . . . . . . . . 6953 1 1588 . 1 1 136 136 GLN CG C 13 33.930 0.256 . 1 . . . . . . . . 6953 1 1589 . 1 1 136 136 GLN N N 15 118.465 0.038 . 1 . . . . . . . . 6953 1 1590 . 1 1 136 136 GLN NE2 N 15 111.469 0.172 . 1 . . . . . . . . 6953 1 1591 . 1 1 137 137 ARG H H 1 8.070 0.007 . 1 . . . . . . . . 6953 1 1592 . 1 1 137 137 ARG HA H 1 4.116 0.011 . 1 . . . . . . . . 6953 1 1593 . 1 1 137 137 ARG HB2 H 1 1.950 0.007 . 1 . . . . . . . . 6953 1 1594 . 1 1 137 137 ARG HB3 H 1 1.858 0.026 . 1 . . . . . . . . 6953 1 1595 . 1 1 137 137 ARG HG2 H 1 1.616 0.011 . 1 . . . . . . . . 6953 1 1596 . 1 1 137 137 ARG HG3 H 1 1.825 0.013 . 1 . . . . . . . . 6953 1 1597 . 1 1 137 137 ARG HD2 H 1 3.288 0.021 . 1 . . . . . . . . 6953 1 1598 . 1 1 137 137 ARG HD3 H 1 3.154 0.024 . 1 . . . . . . . . 6953 1 1599 . 1 1 137 137 ARG HE H 1 7.302 0.039 . 1 . . . . . . . . 6953 1 1600 . 1 1 137 137 ARG C C 13 178.443 0.001 . 1 . . . . . . . . 6953 1 1601 . 1 1 137 137 ARG CA C 13 58.934 0.159 . 1 . . . . . . . . 6953 1 1602 . 1 1 137 137 ARG CB C 13 30.582 0.154 . 1 . . . . . . . . 6953 1 1603 . 1 1 137 137 ARG CG C 13 28.048 0.379 . 1 . . . . . . . . 6953 1 1604 . 1 1 137 137 ARG CD C 13 43.721 0.217 . 1 . . . . . . . . 6953 1 1605 . 1 1 137 137 ARG N N 15 119.037 0.063 . 1 . . . . . . . . 6953 1 1606 . 1 1 137 137 ARG NE N 15 87.857 7.873 . 1 . . . . . . . . 6953 1 1607 . 1 1 138 138 ALA H H 1 7.732 0.003 . 1 . . . . . . . . 6953 1 1608 . 1 1 138 138 ALA HA H 1 4.486 1.027 . 1 . . . . . . . . 6953 1 1609 . 1 1 138 138 ALA HB1 H 1 1.447 0.007 . 1 . . . . . . . . 6953 1 1610 . 1 1 138 138 ALA HB2 H 1 1.447 0.007 . 1 . . . . . . . . 6953 1 1611 . 1 1 138 138 ALA HB3 H 1 1.447 0.007 . 1 . . . . . . . . 6953 1 1612 . 1 1 138 138 ALA C C 13 179.569 0.024 . 1 . . . . . . . . 6953 1 1613 . 1 1 138 138 ALA CA C 13 54.266 0.144 . 1 . . . . . . . . 6953 1 1614 . 1 1 138 138 ALA CB C 13 18.400 0.177 . 1 . . . . . . . . 6953 1 1615 . 1 1 138 138 ALA N N 15 122.057 0.028 . 1 . . . . . . . . 6953 1 stop_ save_