data_18853 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18853 _Entry.Title ; Backbone and side-chain 1H, 13C, 15N NMR assignment of the N-terminal domain of Escherichia coli LpoA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-23 _Entry.Accession_date 2012-11-23 _Entry.Last_release_date 2014-02-14 _Entry.Original_release_date 2014-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nicolas Jean . L.P. . 18853 2 Catherine Bougault . . . 18853 3 Adeline Derouaux . . . 18853 4 Gilles Callens . . . 18853 5 Waldemar Vollmer . . . 18853 6 Jean-Pierre Simorre . . . 18853 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18853 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale, Biomolecular NMR spectroscopy group' . 18853 2 . 'Centre for Bacterial Cell Biology' . 18853 3 . 'Centre d'Ingenierie des Proteines' . 18853 4 . 'Eurogentec S.A.' . 18853 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18853 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1036 18853 '15N chemical shifts' 265 18853 '1H chemical shifts' 1618 18853 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-14 2012-11-23 original author . 18853 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18853 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24493340 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain (1)H, (13)C, and (15)N NMR assignments of the N-terminal domain of Escherichia coli LpoA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Nicolas Jean . L. . 18853 1 2 Catherine Bougault . . . 18853 1 3 Adeline Derouaux . . . 18853 1 4 Gilles Callens . . . 18853 1 5 Waldemar Vollmer . . . 18853 1 6 Jean-Pierre Simorre . . . 18853 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial cell wall' 18853 1 LpoA 18853 1 NMR 18853 1 'peptidoglycan synthesis' 18853 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18853 _Assembly.ID 1 _Assembly.Name LpoA_n-ter _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 28020.5087 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LpoA_n-ter 1 $LpoA_n-ter A . yes native yes no . . . 18853 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LpoA_n-ter _Entity.Sf_category entity _Entity.Sf_framecode LpoA_n-ter _Entity.Entry_ID 18853 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LpoA_n-ter _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MGTHTPDQSTAYMQGTAQAD SAFYLQQMQQSSDDTRINWQ LLAIRALVKEGKTGQAVELF NQLPQELNDAQRREKTLLAV EIKLAQKDFAGAQNLLAKIT PADLEQNQQARYWQAKIDAS QGRPSIDLLRALIAQEPLLG AKEKQQNIDATWQALSSMTQ EQANTLVINADENILQGWLD LQRVWFDNRNDPDMMKAGIA DWQKRYPNNPGAKMLPTQLV NVKAFKPAST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 22 to 250 in LpoA_N-ter correspond to residues 28 to 256 in the wild-type full-length LpoA' _Entity.Polymer_author_seq_details 'Residues 1 to 21 correspond to Hexahistidine-tag' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 250 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal domain of wild-type LpoA (residue 28 to 256) preceded by a His-tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28020.5087 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt P45464 . LpoA . . . . . . . . . . . . . . 18853 1 2 no PDB 2MHK . "E. Coli Lpoa N-terminal Domain" . . . . . 100.00 250 100.00 100.00 0.00e+00 . . . . 18853 1 3 no DBJ BAB37451 . "putative glycosylase [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.00 678 99.13 99.57 1.04e-158 . . . . 18853 1 4 no DBJ BAE77193 . "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 92.80 678 98.71 99.14 2.94e-159 . . . . 18853 1 5 no DBJ BAG78957 . "putative glycosylase [Escherichia coli SE11]" . . . . . 92.80 678 98.28 99.14 9.47e-159 . . . . 18853 1 6 no DBJ BAI27426 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 92.80 678 98.28 99.14 1.03e-158 . . . . 18853 1 7 no DBJ BAI32606 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 92.80 662 97.84 98.71 2.55e-158 . . . . 18853 1 8 no EMBL CAP77610 . "Uncharacterized protein yraM [Escherichia coli LF82]" . . . . . 92.80 678 97.84 98.28 9.31e-158 . . . . 18853 1 9 no EMBL CAQ33482 . "putative glycosylase [Escherichia coli BL21(DE3)]" . . . . . 92.80 678 98.71 99.14 3.73e-159 . . . . 18853 1 10 no EMBL CAR00111 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 92.80 678 98.28 99.14 1.03e-158 . . . . 18853 1 11 no EMBL CAR04759 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 92.80 678 97.84 98.28 7.26e-158 . . . . 18853 1 12 no EMBL CAR09810 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 92.80 678 97.84 98.28 8.00e-158 . . . . 18853 1 13 no GB AAA57950 . "ORF_o678 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.80 678 98.71 99.14 2.94e-159 . . . . 18853 1 14 no GB AAC76181 . "OM lipoprotein stimulator of MrcA transpeptidase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.80 678 98.71 99.14 2.94e-159 . . . . 18853 1 15 no GB AAG58283 . "putative glycosylase [Escherichia coli O157:H7 str. EDL933]" . . . . . 92.00 678 99.13 99.57 1.04e-158 . . . . 18853 1 16 no GB AAN44655 . "putative glycosylase [Shigella flexneri 2a str. 301]" . . . . . 92.80 678 97.84 98.71 5.36e-158 . . . . 18853 1 17 no GB AAN82341 . "Hypothetical protein yraM [Escherichia coli CFT073]" . . . . . 92.00 720 98.70 98.70 1.82e-157 . . . . 18853 1 18 no REF NP_312055 . "glycosylase [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.00 678 99.13 99.57 1.04e-158 . . . . 18853 1 19 no REF NP_417616 . "OM lipoprotein stimulator of MrcA transpeptidase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.80 678 98.71 99.14 2.94e-159 . . . . 18853 1 20 no REF NP_708948 . "glycosylase [Shigella flexneri 2a str. 301]" . . . . . 92.80 678 97.84 98.71 5.36e-158 . . . . 18853 1 21 no REF WP_000112978 . "Penicillin-binding protein activator LpoA, partial [Escherichia coli]" . . . . . 84.40 617 99.53 100.00 1.54e-144 . . . . 18853 1 22 no REF WP_000249084 . "penicillin-binding protein activator LpoA [Shigella dysenteriae]" . . . . . 92.80 678 96.98 97.84 6.94e-156 . . . . 18853 1 23 no SP D2A869 . "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" . . . . . 92.80 678 97.84 98.71 5.36e-158 . . . . 18853 1 24 no SP P45464 . "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; AltName: Full=Lipoprotein activator of PBP f" . . . . . 92.80 678 98.71 99.14 2.94e-159 . . . . 18853 1 25 no SP Q0T0D4 . "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" . . . . . 92.80 678 97.84 98.71 6.37e-158 . . . . 18853 1 26 no SP Q3YX94 . "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" . . . . . 92.80 678 97.84 99.14 3.02e-158 . . . . 18853 1 27 no SP Q8FDA1 . "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" . . . . . 92.80 678 97.84 98.28 7.26e-158 . . . . 18853 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 7 MET . 18853 1 2 8 GLY . 18853 1 3 9 SER . 18853 1 4 10 SER . 18853 1 5 11 HIS . 18853 1 6 12 HIS . 18853 1 7 13 HIS . 18853 1 8 14 HIS . 18853 1 9 15 HIS . 18853 1 10 16 HIS . 18853 1 11 17 SER . 18853 1 12 18 SER . 18853 1 13 19 GLY . 18853 1 14 20 LEU . 18853 1 15 21 VAL . 18853 1 16 22 PRO . 18853 1 17 23 ARG . 18853 1 18 24 GLY . 18853 1 19 25 SER . 18853 1 20 26 HIS . 18853 1 21 27 MET . 18853 1 22 28 GLY . 18853 1 23 29 THR . 18853 1 24 30 HIS . 18853 1 25 31 THR . 18853 1 26 32 PRO . 18853 1 27 33 ASP . 18853 1 28 34 GLN . 18853 1 29 35 SER . 18853 1 30 36 THR . 18853 1 31 37 ALA . 18853 1 32 38 TYR . 18853 1 33 39 MET . 18853 1 34 40 GLN . 18853 1 35 41 GLY . 18853 1 36 42 THR . 18853 1 37 43 ALA . 18853 1 38 44 GLN . 18853 1 39 45 ALA . 18853 1 40 46 ASP . 18853 1 41 47 SER . 18853 1 42 48 ALA . 18853 1 43 49 PHE . 18853 1 44 50 TYR . 18853 1 45 51 LEU . 18853 1 46 52 GLN . 18853 1 47 53 GLN . 18853 1 48 54 MET . 18853 1 49 55 GLN . 18853 1 50 56 GLN . 18853 1 51 57 SER . 18853 1 52 58 SER . 18853 1 53 59 ASP . 18853 1 54 60 ASP . 18853 1 55 61 THR . 18853 1 56 62 ARG . 18853 1 57 63 ILE . 18853 1 58 64 ASN . 18853 1 59 65 TRP . 18853 1 60 66 GLN . 18853 1 61 67 LEU . 18853 1 62 68 LEU . 18853 1 63 69 ALA . 18853 1 64 70 ILE . 18853 1 65 71 ARG . 18853 1 66 72 ALA . 18853 1 67 73 LEU . 18853 1 68 74 VAL . 18853 1 69 75 LYS . 18853 1 70 76 GLU . 18853 1 71 77 GLY . 18853 1 72 78 LYS . 18853 1 73 79 THR . 18853 1 74 80 GLY . 18853 1 75 81 GLN . 18853 1 76 82 ALA . 18853 1 77 83 VAL . 18853 1 78 84 GLU . 18853 1 79 85 LEU . 18853 1 80 86 PHE . 18853 1 81 87 ASN . 18853 1 82 88 GLN . 18853 1 83 89 LEU . 18853 1 84 90 PRO . 18853 1 85 91 GLN . 18853 1 86 92 GLU . 18853 1 87 93 LEU . 18853 1 88 94 ASN . 18853 1 89 95 ASP . 18853 1 90 96 ALA . 18853 1 91 97 GLN . 18853 1 92 98 ARG . 18853 1 93 99 ARG . 18853 1 94 100 GLU . 18853 1 95 101 LYS . 18853 1 96 102 THR . 18853 1 97 103 LEU . 18853 1 98 104 LEU . 18853 1 99 105 ALA . 18853 1 100 106 VAL . 18853 1 101 107 GLU . 18853 1 102 108 ILE . 18853 1 103 109 LYS . 18853 1 104 110 LEU . 18853 1 105 111 ALA . 18853 1 106 112 GLN . 18853 1 107 113 LYS . 18853 1 108 114 ASP . 18853 1 109 115 PHE . 18853 1 110 116 ALA . 18853 1 111 117 GLY . 18853 1 112 118 ALA . 18853 1 113 119 GLN . 18853 1 114 120 ASN . 18853 1 115 121 LEU . 18853 1 116 122 LEU . 18853 1 117 123 ALA . 18853 1 118 124 LYS . 18853 1 119 125 ILE . 18853 1 120 126 THR . 18853 1 121 127 PRO . 18853 1 122 128 ALA . 18853 1 123 129 ASP . 18853 1 124 130 LEU . 18853 1 125 131 GLU . 18853 1 126 132 GLN . 18853 1 127 133 ASN . 18853 1 128 134 GLN . 18853 1 129 135 GLN . 18853 1 130 136 ALA . 18853 1 131 137 ARG . 18853 1 132 138 TYR . 18853 1 133 139 TRP . 18853 1 134 140 GLN . 18853 1 135 141 ALA . 18853 1 136 142 LYS . 18853 1 137 143 ILE . 18853 1 138 144 ASP . 18853 1 139 145 ALA . 18853 1 140 146 SER . 18853 1 141 147 GLN . 18853 1 142 148 GLY . 18853 1 143 149 ARG . 18853 1 144 150 PRO . 18853 1 145 151 SER . 18853 1 146 152 ILE . 18853 1 147 153 ASP . 18853 1 148 154 LEU . 18853 1 149 155 LEU . 18853 1 150 156 ARG . 18853 1 151 157 ALA . 18853 1 152 158 LEU . 18853 1 153 159 ILE . 18853 1 154 160 ALA . 18853 1 155 161 GLN . 18853 1 156 162 GLU . 18853 1 157 163 PRO . 18853 1 158 164 LEU . 18853 1 159 165 LEU . 18853 1 160 166 GLY . 18853 1 161 167 ALA . 18853 1 162 168 LYS . 18853 1 163 169 GLU . 18853 1 164 170 LYS . 18853 1 165 171 GLN . 18853 1 166 172 GLN . 18853 1 167 173 ASN . 18853 1 168 174 ILE . 18853 1 169 175 ASP . 18853 1 170 176 ALA . 18853 1 171 177 THR . 18853 1 172 178 TRP . 18853 1 173 179 GLN . 18853 1 174 180 ALA . 18853 1 175 181 LEU . 18853 1 176 182 SER . 18853 1 177 183 SER . 18853 1 178 184 MET . 18853 1 179 185 THR . 18853 1 180 186 GLN . 18853 1 181 187 GLU . 18853 1 182 188 GLN . 18853 1 183 189 ALA . 18853 1 184 190 ASN . 18853 1 185 191 THR . 18853 1 186 192 LEU . 18853 1 187 193 VAL . 18853 1 188 194 ILE . 18853 1 189 195 ASN . 18853 1 190 196 ALA . 18853 1 191 197 ASP . 18853 1 192 198 GLU . 18853 1 193 199 ASN . 18853 1 194 200 ILE . 18853 1 195 201 LEU . 18853 1 196 202 GLN . 18853 1 197 203 GLY . 18853 1 198 204 TRP . 18853 1 199 205 LEU . 18853 1 200 206 ASP . 18853 1 201 207 LEU . 18853 1 202 208 GLN . 18853 1 203 209 ARG . 18853 1 204 210 VAL . 18853 1 205 211 TRP . 18853 1 206 212 PHE . 18853 1 207 213 ASP . 18853 1 208 214 ASN . 18853 1 209 215 ARG . 18853 1 210 216 ASN . 18853 1 211 217 ASP . 18853 1 212 218 PRO . 18853 1 213 219 ASP . 18853 1 214 220 MET . 18853 1 215 221 MET . 18853 1 216 222 LYS . 18853 1 217 223 ALA . 18853 1 218 224 GLY . 18853 1 219 225 ILE . 18853 1 220 226 ALA . 18853 1 221 227 ASP . 18853 1 222 228 TRP . 18853 1 223 229 GLN . 18853 1 224 230 LYS . 18853 1 225 231 ARG . 18853 1 226 232 TYR . 18853 1 227 233 PRO . 18853 1 228 234 ASN . 18853 1 229 235 ASN . 18853 1 230 236 PRO . 18853 1 231 237 GLY . 18853 1 232 238 ALA . 18853 1 233 239 LYS . 18853 1 234 240 MET . 18853 1 235 241 LEU . 18853 1 236 242 PRO . 18853 1 237 243 THR . 18853 1 238 244 GLN . 18853 1 239 245 LEU . 18853 1 240 246 VAL . 18853 1 241 247 ASN . 18853 1 242 248 VAL . 18853 1 243 249 LYS . 18853 1 244 250 ALA . 18853 1 245 251 PHE . 18853 1 246 252 LYS . 18853 1 247 253 PRO . 18853 1 248 254 ALA . 18853 1 249 255 SER . 18853 1 250 256 THR . 18853 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18853 1 . GLY 2 2 18853 1 . SER 3 3 18853 1 . SER 4 4 18853 1 . HIS 5 5 18853 1 . HIS 6 6 18853 1 . HIS 7 7 18853 1 . HIS 8 8 18853 1 . HIS 9 9 18853 1 . HIS 10 10 18853 1 . SER 11 11 18853 1 . SER 12 12 18853 1 . GLY 13 13 18853 1 . LEU 14 14 18853 1 . VAL 15 15 18853 1 . PRO 16 16 18853 1 . ARG 17 17 18853 1 . GLY 18 18 18853 1 . SER 19 19 18853 1 . HIS 20 20 18853 1 . MET 21 21 18853 1 . GLY 22 22 18853 1 . THR 23 23 18853 1 . HIS 24 24 18853 1 . THR 25 25 18853 1 . PRO 26 26 18853 1 . ASP 27 27 18853 1 . GLN 28 28 18853 1 . SER 29 29 18853 1 . THR 30 30 18853 1 . ALA 31 31 18853 1 . TYR 32 32 18853 1 . MET 33 33 18853 1 . GLN 34 34 18853 1 . GLY 35 35 18853 1 . THR 36 36 18853 1 . ALA 37 37 18853 1 . GLN 38 38 18853 1 . ALA 39 39 18853 1 . ASP 40 40 18853 1 . SER 41 41 18853 1 . ALA 42 42 18853 1 . PHE 43 43 18853 1 . TYR 44 44 18853 1 . LEU 45 45 18853 1 . GLN 46 46 18853 1 . GLN 47 47 18853 1 . MET 48 48 18853 1 . GLN 49 49 18853 1 . GLN 50 50 18853 1 . SER 51 51 18853 1 . SER 52 52 18853 1 . ASP 53 53 18853 1 . ASP 54 54 18853 1 . THR 55 55 18853 1 . ARG 56 56 18853 1 . ILE 57 57 18853 1 . ASN 58 58 18853 1 . TRP 59 59 18853 1 . GLN 60 60 18853 1 . LEU 61 61 18853 1 . LEU 62 62 18853 1 . ALA 63 63 18853 1 . ILE 64 64 18853 1 . ARG 65 65 18853 1 . ALA 66 66 18853 1 . LEU 67 67 18853 1 . VAL 68 68 18853 1 . LYS 69 69 18853 1 . GLU 70 70 18853 1 . GLY 71 71 18853 1 . LYS 72 72 18853 1 . THR 73 73 18853 1 . GLY 74 74 18853 1 . GLN 75 75 18853 1 . ALA 76 76 18853 1 . VAL 77 77 18853 1 . GLU 78 78 18853 1 . LEU 79 79 18853 1 . PHE 80 80 18853 1 . ASN 81 81 18853 1 . GLN 82 82 18853 1 . LEU 83 83 18853 1 . PRO 84 84 18853 1 . GLN 85 85 18853 1 . GLU 86 86 18853 1 . LEU 87 87 18853 1 . ASN 88 88 18853 1 . ASP 89 89 18853 1 . ALA 90 90 18853 1 . GLN 91 91 18853 1 . ARG 92 92 18853 1 . ARG 93 93 18853 1 . GLU 94 94 18853 1 . LYS 95 95 18853 1 . THR 96 96 18853 1 . LEU 97 97 18853 1 . LEU 98 98 18853 1 . ALA 99 99 18853 1 . VAL 100 100 18853 1 . GLU 101 101 18853 1 . ILE 102 102 18853 1 . LYS 103 103 18853 1 . LEU 104 104 18853 1 . ALA 105 105 18853 1 . GLN 106 106 18853 1 . LYS 107 107 18853 1 . ASP 108 108 18853 1 . PHE 109 109 18853 1 . ALA 110 110 18853 1 . GLY 111 111 18853 1 . ALA 112 112 18853 1 . GLN 113 113 18853 1 . ASN 114 114 18853 1 . LEU 115 115 18853 1 . LEU 116 116 18853 1 . ALA 117 117 18853 1 . LYS 118 118 18853 1 . ILE 119 119 18853 1 . THR 120 120 18853 1 . PRO 121 121 18853 1 . ALA 122 122 18853 1 . ASP 123 123 18853 1 . LEU 124 124 18853 1 . GLU 125 125 18853 1 . GLN 126 126 18853 1 . ASN 127 127 18853 1 . GLN 128 128 18853 1 . GLN 129 129 18853 1 . ALA 130 130 18853 1 . ARG 131 131 18853 1 . TYR 132 132 18853 1 . TRP 133 133 18853 1 . GLN 134 134 18853 1 . ALA 135 135 18853 1 . LYS 136 136 18853 1 . ILE 137 137 18853 1 . ASP 138 138 18853 1 . ALA 139 139 18853 1 . SER 140 140 18853 1 . GLN 141 141 18853 1 . GLY 142 142 18853 1 . ARG 143 143 18853 1 . PRO 144 144 18853 1 . SER 145 145 18853 1 . ILE 146 146 18853 1 . ASP 147 147 18853 1 . LEU 148 148 18853 1 . LEU 149 149 18853 1 . ARG 150 150 18853 1 . ALA 151 151 18853 1 . LEU 152 152 18853 1 . ILE 153 153 18853 1 . ALA 154 154 18853 1 . GLN 155 155 18853 1 . GLU 156 156 18853 1 . PRO 157 157 18853 1 . LEU 158 158 18853 1 . LEU 159 159 18853 1 . GLY 160 160 18853 1 . ALA 161 161 18853 1 . LYS 162 162 18853 1 . GLU 163 163 18853 1 . LYS 164 164 18853 1 . GLN 165 165 18853 1 . GLN 166 166 18853 1 . ASN 167 167 18853 1 . ILE 168 168 18853 1 . ASP 169 169 18853 1 . ALA 170 170 18853 1 . THR 171 171 18853 1 . TRP 172 172 18853 1 . GLN 173 173 18853 1 . ALA 174 174 18853 1 . LEU 175 175 18853 1 . SER 176 176 18853 1 . SER 177 177 18853 1 . MET 178 178 18853 1 . THR 179 179 18853 1 . GLN 180 180 18853 1 . GLU 181 181 18853 1 . GLN 182 182 18853 1 . ALA 183 183 18853 1 . ASN 184 184 18853 1 . THR 185 185 18853 1 . LEU 186 186 18853 1 . VAL 187 187 18853 1 . ILE 188 188 18853 1 . ASN 189 189 18853 1 . ALA 190 190 18853 1 . ASP 191 191 18853 1 . GLU 192 192 18853 1 . ASN 193 193 18853 1 . ILE 194 194 18853 1 . LEU 195 195 18853 1 . GLN 196 196 18853 1 . GLY 197 197 18853 1 . TRP 198 198 18853 1 . LEU 199 199 18853 1 . ASP 200 200 18853 1 . LEU 201 201 18853 1 . GLN 202 202 18853 1 . ARG 203 203 18853 1 . VAL 204 204 18853 1 . TRP 205 205 18853 1 . PHE 206 206 18853 1 . ASP 207 207 18853 1 . ASN 208 208 18853 1 . ARG 209 209 18853 1 . ASN 210 210 18853 1 . ASP 211 211 18853 1 . PRO 212 212 18853 1 . ASP 213 213 18853 1 . MET 214 214 18853 1 . MET 215 215 18853 1 . LYS 216 216 18853 1 . ALA 217 217 18853 1 . GLY 218 218 18853 1 . ILE 219 219 18853 1 . ALA 220 220 18853 1 . ASP 221 221 18853 1 . TRP 222 222 18853 1 . GLN 223 223 18853 1 . LYS 224 224 18853 1 . ARG 225 225 18853 1 . TYR 226 226 18853 1 . PRO 227 227 18853 1 . ASN 228 228 18853 1 . ASN 229 229 18853 1 . PRO 230 230 18853 1 . GLY 231 231 18853 1 . ALA 232 232 18853 1 . LYS 233 233 18853 1 . MET 234 234 18853 1 . LEU 235 235 18853 1 . PRO 236 236 18853 1 . THR 237 237 18853 1 . GLN 238 238 18853 1 . LEU 239 239 18853 1 . VAL 240 240 18853 1 . ASN 241 241 18853 1 . VAL 242 242 18853 1 . LYS 243 243 18853 1 . ALA 244 244 18853 1 . PHE 245 245 18853 1 . LYS 246 246 18853 1 . PRO 247 247 18853 1 . ALA 248 248 18853 1 . SER 249 249 18853 1 . THR 250 250 18853 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 18853 _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 $LpoA_n-ter . 562 organism . 'Escherichia coli' 'Escherichia coli' 'E. coli' . Bacteria . Escherichia coli K-12 . . . . . MG1655 . 47076 . . . . . . . lpoA . . . . 18853 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 18853 _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 $LpoA_n-ter . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21-DE3 . . . . . BL21-DE3 . . . . . . . . . pET28 . . . . . . 18853 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18853 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LpoA_n-ter '[U-100% 13C; U-100% 15N]' . . 1 $LpoA_n-ter . . 2.0 . . mM . . . . 18853 1 2 'CH3COOH/CH3COONa buffer' 'natural abundance' . . . . . . 100.0 . . mM . . . . 18853 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18853 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18853 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18853 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.100 . M 18853 1 pH 4.500 . pH 18853 1 pressure 1.000 . atm 18853 1 temperature 323.000 . K 18853 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18853 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18853 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis and assignment' 18853 1 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 18853 _Software.ID 2 _Software.Name NMRDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive & Kidney Diseases, 9000 Rockville Pike, Bethesda, MD 20892-0520, USA ; http://spin.niddk.nih.gov/NMRPipe/ 18853 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum display' 18853 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 18853 _Software.ID 3 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive & Kidney Diseases, 9000 Rockville Pike, Bethesda, MD 20892-0520, USA ; http://spin.niddk.nih.gov/NMRPipe/ 18853 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 18853 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18853 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model vnmrs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18853 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model vnmrs _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18853 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model US2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18853 _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 vnmrs . 600 . . . 18853 1 2 spectrometer_2 Varian vnmrs . 800 . . . 18853 1 3 spectrometer_3 Bruker US2 . 950 . . . 18853 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 18853 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 4 H[N[co[{CA|ca[C]}]]] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18853 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18853 1 6 H[N[ca[CO]]] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18853 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 8 HccoNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 9 '2D 1H-13C HSQC/HMQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18853 1 11 '2D 1H-13C HSQC/HMQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18853 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18853 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18853 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18853 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18853 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18853 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 18853 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18853 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18853 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 18853 1 2 '3D HNCO' 1 $sample_1 isotropic 18853 1 3 '3D HNCACB' 1 $sample_1 isotropic 18853 1 4 H[N[co[{CA|ca[C]}]]] 1 $sample_1 isotropic 18853 1 5 '3D HNCA' 1 $sample_1 isotropic 18853 1 6 H[N[ca[CO]]] 1 $sample_1 isotropic 18853 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 18853 1 8 HccoNH 1 $sample_1 isotropic 18853 1 9 '2D 1H-13C HSQC/HMQC aliphatic' 1 $sample_1 isotropic 18853 1 10 '3D HCCH-TOCSY' 1 $sample_1 isotropic 18853 1 11 '2D 1H-13C HSQC/HMQC aromatic' 1 $sample_1 isotropic 18853 1 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 18853 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 18853 1 14 '3D 1H-15N NOESY' 1 $sample_1 isotropic 18853 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 MET C C 13 178.198 0.1 . 1 . 459 . . 1 MET C . 18853 1 2 . 1 1 2 2 GLY H H 1 8.473 0.003 . 1 . 9 . . 2 GLY H . 18853 1 3 . 1 1 2 2 GLY CA C 13 46.380 0.041 . 1 . 894 . . 2 GLY CA . 18853 1 4 . 1 1 2 2 GLY N N 15 110.299 0.046 . 1 . 10 . . 2 GLY N . 18853 1 5 . 1 1 12 12 SER HA H 1 4.457 0.008 . 1 . 2227 . . 12 SER HA . 18853 1 6 . 1 1 12 12 SER HB2 H 1 3.852 0.016 . 2 . 2228 . . 12 SER HB2 . 18853 1 7 . 1 1 12 12 SER HB3 H 1 3.875 0.001 . 2 . 2256 . . 12 SER HB3 . 18853 1 8 . 1 1 12 12 SER C C 13 174.741 0.008 . 1 . 652 . . 12 SER C . 18853 1 9 . 1 1 12 12 SER CA C 13 59.630 0.045 . 1 . 1186 . . 12 SER CA . 18853 1 10 . 1 1 12 12 SER CB C 13 65.124 0.054 . 1 . 1187 . . 12 SER CB . 18853 1 11 . 1 1 13 13 GLY H H 1 8.277 0.005 . 1 . 359 . . 13 GLY H . 18853 1 12 . 1 1 13 13 GLY HA2 H 1 3.907 0.004 . 2 . 2225 . . 13 GLY HA2 . 18853 1 13 . 1 1 13 13 GLY HA3 H 1 3.946 0.009 . 2 . 2224 . . 13 GLY HA3 . 18853 1 14 . 1 1 13 13 GLY C C 13 173.706 0.058 . 1 . 745 . . 13 GLY C . 18853 1 15 . 1 1 13 13 GLY CA C 13 46.350 0.063 . 1 . 1079 . . 13 GLY CA . 18853 1 16 . 1 1 13 13 GLY N N 15 110.283 0.034 . 1 . 360 . . 13 GLY N . 18853 1 17 . 1 1 14 14 LEU H H 1 7.954 0.011 . 1 . 245 . . 14 LEU H . 18853 1 18 . 1 1 14 14 LEU HA H 1 4.337 0.005 . 1 . 2217 . . 14 LEU HA . 18853 1 19 . 1 1 14 14 LEU HB2 H 1 1.521 0.01 . 2 . 2220 . . 14 LEU HB2 . 18853 1 20 . 1 1 14 14 LEU HB3 H 1 1.550 0.011 . 2 . 2219 . . 14 LEU HB3 . 18853 1 21 . 1 1 14 14 LEU HG H 1 1.530 0.005 . 1 . 2226 . . 14 LEU HG . 18853 1 22 . 1 1 14 14 LEU HD11 H 1 0.811 0.006 . 2 . 2216 . . 14 LEU HD11 . 18853 1 23 . 1 1 14 14 LEU HD12 H 1 0.811 0.006 . 2 . 2216 . . 14 LEU HD12 . 18853 1 24 . 1 1 14 14 LEU HD13 H 1 0.811 0.006 . 2 . 2216 . . 14 LEU HD13 . 18853 1 25 . 1 1 14 14 LEU HD21 H 1 0.863 0.001 . 2 . 2215 . . 14 LEU HD21 . 18853 1 26 . 1 1 14 14 LEU HD22 H 1 0.863 0.001 . 2 . 2215 . . 14 LEU HD22 . 18853 1 27 . 1 1 14 14 LEU HD23 H 1 0.863 0.001 . 2 . 2215 . . 14 LEU HD23 . 18853 1 28 . 1 1 14 14 LEU C C 13 176.919 0.022 . 1 . 550 . . 14 LEU C . 18853 1 29 . 1 1 14 14 LEU CA C 13 56.191 0.057 . 1 . 1076 . . 14 LEU CA . 18853 1 30 . 1 1 14 14 LEU CB C 13 43.518 0.034 . 1 . 1075 . . 14 LEU CB . 18853 1 31 . 1 1 14 14 LEU CG C 13 27.973 0.087 . 1 . 1188 . . 14 LEU CG . 18853 1 32 . 1 1 14 14 LEU CD1 C 13 24.664 0.022 . 2 . 1190 . . 14 LEU CD1 . 18853 1 33 . 1 1 14 14 LEU CD2 C 13 25.840 0.1 . 2 . 1189 . . 14 LEU CD2 . 18853 1 34 . 1 1 14 14 LEU N N 15 121.729 0.041 . 1 . 246 . . 14 LEU N . 18853 1 35 . 1 1 15 15 VAL H H 1 7.969 0.01 . 1 . 173 . . 15 VAL H . 18853 1 36 . 1 1 15 15 VAL HA H 1 4.382 0.005 . 1 . 2223 . . 15 VAL HA . 18853 1 37 . 1 1 15 15 VAL HB H 1 2.025 0.003 . 1 . 2218 . . 15 VAL HB . 18853 1 38 . 1 1 15 15 VAL HG11 H 1 0.902 0.01 . 2 . 2221 . . 15 VAL HG11 . 18853 1 39 . 1 1 15 15 VAL HG12 H 1 0.902 0.01 . 2 . 2221 . . 15 VAL HG12 . 18853 1 40 . 1 1 15 15 VAL HG13 H 1 0.902 0.01 . 2 . 2221 . . 15 VAL HG13 . 18853 1 41 . 1 1 15 15 VAL HG21 H 1 0.910 0.008 . 2 . 2275 . . 15 VAL HG21 . 18853 1 42 . 1 1 15 15 VAL HG22 H 1 0.910 0.008 . 2 . 2275 . . 15 VAL HG22 . 18853 1 43 . 1 1 15 15 VAL HG23 H 1 0.910 0.008 . 2 . 2275 . . 15 VAL HG23 . 18853 1 44 . 1 1 15 15 VAL C C 13 172.714 0.1 . 1 . 1425 . . 15 VAL C . 18853 1 45 . 1 1 15 15 VAL CA C 13 60.714 0.087 . 1 . 1077 . . 15 VAL CA . 18853 1 46 . 1 1 15 15 VAL CB C 13 33.717 0.038 . 1 . 1078 . . 15 VAL CB . 18853 1 47 . 1 1 15 15 VAL CG1 C 13 21.356 0.1 . 1 . 2222 . . 15 VAL CG1 . 18853 1 48 . 1 1 15 15 VAL N N 15 122.570 0.042 . 1 . 174 . . 15 VAL N . 18853 1 49 . 1 1 16 16 PRO HA H 1 4.378 0.004 . 1 . 2207 . . 16 PRO HA . 18853 1 50 . 1 1 16 16 PRO HB2 H 1 2.244 0.004 . 2 . 2210 . . 16 PRO HB2 . 18853 1 51 . 1 1 16 16 PRO HB3 H 1 2.226 0.012 . 2 . 2211 . . 16 PRO HB3 . 18853 1 52 . 1 1 16 16 PRO HG2 H 1 1.999 0.012 . 2 . 2212 . . 16 PRO HG2 . 18853 1 53 . 1 1 16 16 PRO HG3 H 1 1.886 0.016 . 2 . 2213 . . 16 PRO HG3 . 18853 1 54 . 1 1 16 16 PRO HD2 H 1 3.818 0.003 . 2 . 2208 . . 16 PRO HD2 . 18853 1 55 . 1 1 16 16 PRO HD3 H 1 3.632 0.003 . 2 . 2209 . . 16 PRO HD3 . 18853 1 56 . 1 1 16 16 PRO C C 13 176.810 0.009 . 1 . 533 . . 16 PRO C . 18853 1 57 . 1 1 16 16 PRO CA C 13 64.158 0.031 . 1 . 757 . . 16 PRO CA . 18853 1 58 . 1 1 16 16 PRO CB C 13 33.036 0.029 . 1 . 756 . . 16 PRO CB . 18853 1 59 . 1 1 16 16 PRO CG C 13 28.393 0.058 . 1 . 1192 . . 16 PRO CG . 18853 1 60 . 1 1 16 16 PRO CD C 13 52.007 0.075 . 1 . 1191 . . 16 PRO CD . 18853 1 61 . 1 1 17 17 ARG H H 1 8.281 0.008 . 1 . 145 . . 17 ARG H . 18853 1 62 . 1 1 17 17 ARG HA H 1 4.297 0.004 . 1 . 2202 . . 17 ARG HA . 18853 1 63 . 1 1 17 17 ARG HB2 H 1 1.837 0.007 . 2 . 2203 . . 17 ARG HB2 . 18853 1 64 . 1 1 17 17 ARG HB3 H 1 1.762 0.007 . 2 . 2204 . . 17 ARG HB3 . 18853 1 65 . 1 1 17 17 ARG HG2 H 1 1.671 0.012 . 2 . 2205 . . 17 ARG HG2 . 18853 1 66 . 1 1 17 17 ARG HG3 H 1 1.637 0.013 . 2 . 2214 . . 17 ARG HG3 . 18853 1 67 . 1 1 17 17 ARG HD2 H 1 3.181 0.006 . 2 . 2206 . . 17 ARG HD2 . 18853 1 68 . 1 1 17 17 ARG HD3 H 1 3.193 0.005 . 2 . 2548 . . 17 ARG HD3 . 18853 1 69 . 1 1 17 17 ARG HE H 1 7.078 0.003 . 1 . 385 . . 17 ARG HE . 18853 1 70 . 1 1 17 17 ARG C C 13 176.860 0.032 . 1 . 468 . . 17 ARG C . 18853 1 71 . 1 1 17 17 ARG CA C 13 57.374 0.073 . 1 . 1193 . . 17 ARG CA . 18853 1 72 . 1 1 17 17 ARG CB C 13 31.933 0.052 . 1 . 760 . . 17 ARG CB . 18853 1 73 . 1 1 17 17 ARG CG C 13 28.080 0.071 . 1 . 1194 . . 17 ARG CG . 18853 1 74 . 1 1 17 17 ARG CD C 13 44.430 0.055 . 1 . 1195 . . 17 ARG CD . 18853 1 75 . 1 1 17 17 ARG CZ C 13 159.624 0.1 . 1 . 667 . . 17 ARG CZ . 18853 1 76 . 1 1 17 17 ARG N N 15 121.533 0.063 . 1 . 146 . . 17 ARG N . 18853 1 77 . 1 1 17 17 ARG NE N 15 84.922 0.003 . 1 . 386 . . 17 ARG NE . 18853 1 78 . 1 1 18 18 GLY H H 1 8.305 0.005 . 1 . 23 . . 18 GLY H . 18853 1 79 . 1 1 18 18 GLY HA2 H 1 3.940 0.006 . 2 . 2200 . . 18 GLY HA2 . 18853 1 80 . 1 1 18 18 GLY HA3 H 1 3.968 0.005 . 2 . 2201 . . 18 GLY HA3 . 18853 1 81 . 1 1 18 18 GLY C C 13 174.021 0.1 . 1 . 1426 . . 18 GLY C . 18853 1 82 . 1 1 18 18 GLY CA C 13 46.345 0.058 . 1 . 761 . . 18 GLY CA . 18853 1 83 . 1 1 18 18 GLY N N 15 109.874 0.029 . 1 . 24 . . 18 GLY N . 18853 1 84 . 1 1 20 20 HIS HA H 1 4.697 0.002 . 1 . 2197 . . 20 HIS HA . 18853 1 85 . 1 1 20 20 HIS HB2 H 1 3.266 0.004 . 2 . 2198 . . 20 HIS HB2 . 18853 1 86 . 1 1 20 20 HIS HB3 H 1 3.147 0.004 . 2 . 2199 . . 20 HIS HB3 . 18853 1 87 . 1 1 20 20 HIS C C 13 174.372 0.019 . 1 . 554 . . 20 HIS C . 18853 1 88 . 1 1 20 20 HIS CA C 13 56.514 0.057 . 1 . 1116 . . 20 HIS CA . 18853 1 89 . 1 1 20 20 HIS CB C 13 29.980 0.043 . 1 . 1117 . . 20 HIS CB . 18853 1 90 . 1 1 21 21 MET H H 1 8.269 0.003 . 1 . 181 . . 21 MET H . 18853 1 91 . 1 1 21 21 MET HA H 1 4.468 0.003 . 1 . 2192 . . 21 MET HA . 18853 1 92 . 1 1 21 21 MET HB2 H 1 1.965 0.007 . 2 . 2196 . . 21 MET HB2 . 18853 1 93 . 1 1 21 21 MET HB3 H 1 2.078 0.008 . 2 . 2195 . . 21 MET HB3 . 18853 1 94 . 1 1 21 21 MET HG2 H 1 2.554 0.004 . 2 . 2193 . . 21 MET HG2 . 18853 1 95 . 1 1 21 21 MET HG3 H 1 2.482 0.004 . 2 . 2194 . . 21 MET HG3 . 18853 1 96 . 1 1 21 21 MET C C 13 176.443 0.005 . 1 . 584 . . 21 MET C . 18853 1 97 . 1 1 21 21 MET CA C 13 56.700 0.087 . 1 . 1084 . . 21 MET CA . 18853 1 98 . 1 1 21 21 MET CB C 13 34.104 0.068 . 1 . 1083 . . 21 MET CB . 18853 1 99 . 1 1 21 21 MET CG C 13 33.016 0.094 . 1 . 1196 . . 21 MET CG . 18853 1 100 . 1 1 21 21 MET N N 15 121.253 0.061 . 1 . 182 . . 21 MET N . 18853 1 101 . 1 1 22 22 GLY H H 1 8.336 0.005 . 1 . 241 . . 22 GLY H . 18853 1 102 . 1 1 22 22 GLY HA2 H 1 3.997 0.007 . 2 . 2190 . . 22 GLY HA2 . 18853 1 103 . 1 1 22 22 GLY HA3 H 1 3.972 0.007 . 2 . 2191 . . 22 GLY HA3 . 18853 1 104 . 1 1 22 22 GLY C C 13 174.082 0.016 . 1 . 570 . . 22 GLY C . 18853 1 105 . 1 1 22 22 GLY CA C 13 46.367 0.06 . 1 . 1115 . . 22 GLY CA . 18853 1 106 . 1 1 22 22 GLY N N 15 109.899 0.046 . 1 . 242 . . 22 GLY N . 18853 1 107 . 1 1 23 23 THR H H 1 7.930 0.006 . 1 . 213 . . 23 THR H . 18853 1 108 . 1 1 23 23 THR HA H 1 4.312 0.004 . 1 . 1596 . . 23 THR HA . 18853 1 109 . 1 1 23 23 THR HB H 1 4.157 0.004 . 1 . 2266 . . 23 THR HB . 18853 1 110 . 1 1 23 23 THR HG21 H 1 1.141 0.003 . 1 . 1597 . . 23 THR HG21 . 18853 1 111 . 1 1 23 23 THR HG22 H 1 1.141 0.003 . 1 . 1597 . . 23 THR HG22 . 18853 1 112 . 1 1 23 23 THR HG23 H 1 1.141 0.003 . 1 . 1597 . . 23 THR HG23 . 18853 1 113 . 1 1 23 23 THR C C 13 174.360 0.021 . 1 . 477 . . 23 THR C . 18853 1 114 . 1 1 23 23 THR CA C 13 62.721 0.081 . 1 . 762 . . 23 THR CA . 18853 1 115 . 1 1 23 23 THR CB C 13 70.880 0.071 . 1 . 916 . . 23 THR CB . 18853 1 116 . 1 1 23 23 THR CG2 C 13 22.538 0.063 . 1 . 1197 . . 23 THR CG2 . 18853 1 117 . 1 1 23 23 THR N N 15 113.283 0.028 . 1 . 214 . . 23 THR N . 18853 1 118 . 1 1 24 24 HIS H H 1 8.465 0.007 . 1 . 41 . . 24 HIS H . 18853 1 119 . 1 1 24 24 HIS HA H 1 4.779 0.01 . 1 . 2184 . . 24 HIS HA . 18853 1 120 . 1 1 24 24 HIS HB2 H 1 3.261 0.005 . 2 . 2185 . . 24 HIS HB2 . 18853 1 121 . 1 1 24 24 HIS HB3 H 1 3.153 0.004 . 2 . 2186 . . 24 HIS HB3 . 18853 1 122 . 1 1 24 24 HIS C C 13 174.193 0.013 . 1 . 500 . . 24 HIS C . 18853 1 123 . 1 1 24 24 HIS CA C 13 56.250 0.064 . 1 . 1121 . . 24 HIS CA . 18853 1 124 . 1 1 24 24 HIS CB C 13 30.241 0.1 . 1 . 763 . . 24 HIS CB . 18853 1 125 . 1 1 24 24 HIS N N 15 120.843 0.056 . 1 . 42 . . 24 HIS N . 18853 1 126 . 1 1 25 25 THR H H 1 8.145 0.006 . 1 . 79 . . 25 THR H . 18853 1 127 . 1 1 25 25 THR HA H 1 4.563 0.013 . 1 . 2189 . . 25 THR HA . 18853 1 128 . 1 1 25 25 THR HB H 1 4.159 0.004 . 1 . 2188 . . 25 THR HB . 18853 1 129 . 1 1 25 25 THR HG21 H 1 1.233 0.004 . 1 . 2187 . . 25 THR HG21 . 18853 1 130 . 1 1 25 25 THR HG22 H 1 1.233 0.004 . 1 . 2187 . . 25 THR HG22 . 18853 1 131 . 1 1 25 25 THR HG23 H 1 1.233 0.004 . 1 . 2187 . . 25 THR HG23 . 18853 1 132 . 1 1 25 25 THR CA C 13 60.962 0.065 . 1 . 1122 . . 25 THR CA . 18853 1 133 . 1 1 25 25 THR CB C 13 70.521 0.077 . 1 . 1123 . . 25 THR CB . 18853 1 134 . 1 1 25 25 THR CG2 C 13 22.695 0.029 . 1 . 2245 . . 25 THR CG2 . 18853 1 135 . 1 1 25 25 THR N N 15 118.218 0.044 . 1 . 80 . . 25 THR N . 18853 1 136 . 1 1 26 26 PRO HA H 1 4.409 0.004 . 1 . 2178 . . 26 PRO HA . 18853 1 137 . 1 1 26 26 PRO HB2 H 1 1.922 0.003 . 2 . 2652 . . 26 PRO HB2 . 18853 1 138 . 1 1 26 26 PRO HB3 H 1 2.279 0.004 . 2 . 2183 . . 26 PRO HB3 . 18853 1 139 . 1 1 26 26 PRO HG2 H 1 2.028 0.008 . 2 . 2182 . . 26 PRO HG2 . 18853 1 140 . 1 1 26 26 PRO HG3 H 1 1.967 0.004 . 2 . 2181 . . 26 PRO HG3 . 18853 1 141 . 1 1 26 26 PRO HD2 H 1 3.697 0.004 . 2 . 2180 . . 26 PRO HD2 . 18853 1 142 . 1 1 26 26 PRO HD3 H 1 3.802 0.005 . 2 . 2179 . . 26 PRO HD3 . 18853 1 143 . 1 1 26 26 PRO C C 13 176.358 0.1 . 1 . 541 . . 26 PRO C . 18853 1 144 . 1 1 26 26 PRO CA C 13 64.465 0.033 . 1 . 1013 . . 26 PRO CA . 18853 1 145 . 1 1 26 26 PRO CB C 13 33.098 0.074 . 1 . 1012 . . 26 PRO CB . 18853 1 146 . 1 1 26 26 PRO CG C 13 28.356 0.059 . 1 . 1199 . . 26 PRO CG . 18853 1 147 . 1 1 26 26 PRO CD C 13 52.018 0.063 . 1 . 1198 . . 26 PRO CD . 18853 1 148 . 1 1 27 27 ASP H H 1 8.303 0.008 . 1 . 153 . . 27 ASP H . 18853 1 149 . 1 1 27 27 ASP HA H 1 4.685 0.006 . 1 . 2173 . . 27 ASP HA . 18853 1 150 . 1 1 27 27 ASP HB2 H 1 2.745 0.007 . 2 . 2312 . . 27 ASP HB2 . 18853 1 151 . 1 1 27 27 ASP HB3 H 1 2.761 0.007 . 2 . 2174 . . 27 ASP HB3 . 18853 1 152 . 1 1 27 27 ASP C C 13 177.100 0.012 . 1 . 657 . . 27 ASP C . 18853 1 153 . 1 1 27 27 ASP CA C 13 54.980 0.046 . 1 . 809 . . 27 ASP CA . 18853 1 154 . 1 1 27 27 ASP CB C 13 42.781 0.069 . 1 . 808 . . 27 ASP CB . 18853 1 155 . 1 1 27 27 ASP N N 15 120.592 0.05 . 1 . 154 . . 27 ASP N . 18853 1 156 . 1 1 28 28 GLN H H 1 8.708 0.011 . 1 . 363 . . 28 GLN H . 18853 1 157 . 1 1 28 28 GLN HA H 1 4.403 0.009 . 1 . 2171 . . 28 GLN HA . 18853 1 158 . 1 1 28 28 GLN HB2 H 1 2.269 0.009 . 2 . 2177 . . 28 GLN HB2 . 18853 1 159 . 1 1 28 28 GLN HB3 H 1 2.506 0.013 . 2 . 2176 . . 28 GLN HB3 . 18853 1 160 . 1 1 28 28 GLN HG2 H 1 2.621 0.007 . 2 . 2172 . . 28 GLN HG2 . 18853 1 161 . 1 1 28 28 GLN HG3 H 1 2.590 0.016 . 2 . 2331 . . 28 GLN HG3 . 18853 1 162 . 1 1 28 28 GLN HE21 H 1 6.862 0.007 . 1 . 952 . . 28 GLN HE21 . 18853 1 163 . 1 1 28 28 GLN HE22 H 1 7.500 0.012 . 1 . 950 . . 28 GLN HE22 . 18853 1 164 . 1 1 28 28 GLN C C 13 176.929 0.021 . 1 . 545 . . 28 GLN C . 18853 1 165 . 1 1 28 28 GLN CA C 13 58.172 0.124 . 1 . 815 . . 28 GLN CA . 18853 1 166 . 1 1 28 28 GLN CB C 13 30.538 0.065 . 1 . 1007 . . 28 GLN CB . 18853 1 167 . 1 1 28 28 GLN CG C 13 35.347 0.056 . 1 . 1200 . . 28 GLN CG . 18853 1 168 . 1 1 28 28 GLN CD C 13 180.427 0.002 . 1 . 2332 . . 28 GLN CD . 18853 1 169 . 1 1 28 28 GLN N N 15 122.296 0.032 . 1 . 364 . . 28 GLN N . 18853 1 170 . 1 1 28 28 GLN NE2 N 15 111.601 0.0 . 1 . 951 . . 28 GLN NE2 . 18853 1 171 . 1 1 29 29 SER H H 1 8.680 0.011 . 1 . 163 . . 29 SER H . 18853 1 172 . 1 1 29 29 SER HA H 1 3.691 0.015 . 1 . 2170 . . 29 SER HA . 18853 1 173 . 1 1 29 29 SER HB2 H 1 2.569 0.032 . 2 . 2437 . . 29 SER HB2 . 18853 1 174 . 1 1 29 29 SER HB3 H 1 2.967 0.019 . 2 . 2436 . . 29 SER HB3 . 18853 1 175 . 1 1 29 29 SER C C 13 176.454 0.008 . 1 . 701 . . 29 SER C . 18853 1 176 . 1 1 29 29 SER CA C 13 62.197 0.123 . 1 . 1006 . . 29 SER CA . 18853 1 177 . 1 1 29 29 SER CB C 13 63.629 0.101 . 1 . 1005 . . 29 SER CB . 18853 1 178 . 1 1 29 29 SER N N 15 115.429 0.026 . 1 . 164 . . 29 SER N . 18853 1 179 . 1 1 30 30 THR H H 1 7.543 0.008 . 1 . 433 . . 30 THR H . 18853 1 180 . 1 1 30 30 THR HA H 1 3.813 0.012 . 1 . 2168 . . 30 THR HA . 18853 1 181 . 1 1 30 30 THR HB H 1 4.091 0.007 . 1 . 2169 . . 30 THR HB . 18853 1 182 . 1 1 30 30 THR HG21 H 1 1.142 0.003 . 1 . 2167 . . 30 THR HG21 . 18853 1 183 . 1 1 30 30 THR HG22 H 1 1.142 0.003 . 1 . 2167 . . 30 THR HG22 . 18853 1 184 . 1 1 30 30 THR HG23 H 1 1.142 0.003 . 1 . 2167 . . 30 THR HG23 . 18853 1 185 . 1 1 30 30 THR C C 13 175.451 0.008 . 1 . 643 . . 30 THR C . 18853 1 186 . 1 1 30 30 THR CA C 13 66.915 0.137 . 1 . 1002 . . 30 THR CA . 18853 1 187 . 1 1 30 30 THR CB C 13 69.741 0.091 . 1 . 1003 . . 30 THR CB . 18853 1 188 . 1 1 30 30 THR CG2 C 13 22.744 0.067 . 1 . 1201 . . 30 THR CG2 . 18853 1 189 . 1 1 30 30 THR N N 15 118.141 0.054 . 1 . 434 . . 30 THR N . 18853 1 190 . 1 1 31 31 ALA H H 1 8.075 0.01 . 1 . 340 . . 31 ALA H . 18853 1 191 . 1 1 31 31 ALA HA H 1 4.039 0.008 . 1 . 2165 . . 31 ALA HA . 18853 1 192 . 1 1 31 31 ALA HB1 H 1 1.138 0.01 . 1 . 2164 . . 31 ALA HB1 . 18853 1 193 . 1 1 31 31 ALA HB2 H 1 1.138 0.01 . 1 . 2164 . . 31 ALA HB2 . 18853 1 194 . 1 1 31 31 ALA HB3 H 1 1.138 0.01 . 1 . 2164 . . 31 ALA HB3 . 18853 1 195 . 1 1 31 31 ALA C C 13 179.232 0.1 . 1 . 598 . . 31 ALA C . 18853 1 196 . 1 1 31 31 ALA CA C 13 55.841 0.077 . 1 . 1001 . . 31 ALA CA . 18853 1 197 . 1 1 31 31 ALA CB C 13 19.378 0.056 . 1 . 1004 . . 31 ALA CB . 18853 1 198 . 1 1 31 31 ALA N N 15 123.233 0.048 . 1 . 341 . . 31 ALA N . 18853 1 199 . 1 1 32 32 TYR H H 1 7.160 0.011 . 1 . 261 . . 32 TYR H . 18853 1 200 . 1 1 32 32 TYR HA H 1 4.523 0.014 . 1 . 2161 . . 32 TYR HA . 18853 1 201 . 1 1 32 32 TYR HB2 H 1 2.963 0.007 . 2 . 2162 . . 32 TYR HB2 . 18853 1 202 . 1 1 32 32 TYR HB3 H 1 3.392 0.006 . 2 . 2166 . . 32 TYR HB3 . 18853 1 203 . 1 1 32 32 TYR HD1 H 1 7.341 0.007 . 3 . 2605 . . 32 TYR HD1 . 18853 1 204 . 1 1 32 32 TYR HD2 H 1 7.341 0.007 . 3 . 2605 . . 32 TYR HD2 . 18853 1 205 . 1 1 32 32 TYR HE1 H 1 6.786 0.005 . 3 . 2602 . . 32 TYR HE1 . 18853 1 206 . 1 1 32 32 TYR HE2 H 1 6.786 0.005 . 3 . 2602 . . 32 TYR HE2 . 18853 1 207 . 1 1 32 32 TYR C C 13 179.065 0.1 . 1 . 642 . . 32 TYR C . 18853 1 208 . 1 1 32 32 TYR CA C 13 60.506 0.073 . 1 . 1110 . . 32 TYR CA . 18853 1 209 . 1 1 32 32 TYR CB C 13 39.516 0.075 . 1 . 1111 . . 32 TYR CB . 18853 1 210 . 1 1 32 32 TYR CD1 C 13 135.315 0.042 . 3 . 2604 . . 32 TYR CD1 . 18853 1 211 . 1 1 32 32 TYR CD2 C 13 135.315 0.042 . 3 . 2604 . . 32 TYR CD2 . 18853 1 212 . 1 1 32 32 TYR CE1 C 13 119.193 0.043 . 3 . 2603 . . 32 TYR CE1 . 18853 1 213 . 1 1 32 32 TYR CE2 C 13 119.193 0.043 . 3 . 2603 . . 32 TYR CE2 . 18853 1 214 . 1 1 32 32 TYR N N 15 116.050 0.044 . 1 . 262 . . 32 TYR N . 18853 1 215 . 1 1 33 33 MET H H 1 8.259 0.017 . 1 . 338 . . 33 MET H . 18853 1 216 . 1 1 33 33 MET HA H 1 4.196 0.006 . 1 . 2155 . . 33 MET HA . 18853 1 217 . 1 1 33 33 MET HB2 H 1 2.004 0.005 . 2 . 2160 . . 33 MET HB2 . 18853 1 218 . 1 1 33 33 MET HB3 H 1 2.111 0.012 . 2 . 2163 . . 33 MET HB3 . 18853 1 219 . 1 1 33 33 MET HG2 H 1 2.460 0.006 . 2 . 2158 . . 33 MET HG2 . 18853 1 220 . 1 1 33 33 MET HG3 H 1 2.374 0.006 . 2 . 2159 . . 33 MET HG3 . 18853 1 221 . 1 1 33 33 MET HE1 H 1 1.875 0.005 . 1 . 2529 . . 33 MET HE1 . 18853 1 222 . 1 1 33 33 MET HE2 H 1 1.875 0.005 . 1 . 2529 . . 33 MET HE2 . 18853 1 223 . 1 1 33 33 MET HE3 H 1 1.875 0.005 . 1 . 2529 . . 33 MET HE3 . 18853 1 224 . 1 1 33 33 MET C C 13 178.023 0.1 . 1 . 487 . . 33 MET C . 18853 1 225 . 1 1 33 33 MET CA C 13 58.760 0.101 . 1 . 767 . . 33 MET CA . 18853 1 226 . 1 1 33 33 MET CB C 13 33.267 0.104 . 1 . 1108 . . 33 MET CB . 18853 1 227 . 1 1 33 33 MET CG C 13 33.199 0.036 . 1 . 1202 . . 33 MET CG . 18853 1 228 . 1 1 33 33 MET CE C 13 17.705 0.036 . 1 . 2530 . . 33 MET CE . 18853 1 229 . 1 1 33 33 MET N N 15 120.936 0.048 . 1 . 339 . . 33 MET N . 18853 1 230 . 1 1 34 34 GLN H H 1 8.142 0.009 . 1 . 57 . . 34 GLN H . 18853 1 231 . 1 1 34 34 GLN HA H 1 4.254 0.005 . 1 . 2153 . . 34 GLN HA . 18853 1 232 . 1 1 34 34 GLN HB2 H 1 2.045 0.006 . 2 . 2157 . . 34 GLN HB2 . 18853 1 233 . 1 1 34 34 GLN HB3 H 1 2.167 0.006 . 2 . 2156 . . 34 GLN HB3 . 18853 1 234 . 1 1 34 34 GLN HG2 H 1 2.460 0.013 . 2 . 2154 . . 34 GLN HG2 . 18853 1 235 . 1 1 34 34 GLN HG3 H 1 2.414 0.008 . 2 . 2343 . . 34 GLN HG3 . 18853 1 236 . 1 1 34 34 GLN HE21 H 1 7.300 0.005 . 1 . 2341 . . 34 GLN HE21 . 18853 1 237 . 1 1 34 34 GLN HE22 H 1 6.664 0.008 . 1 . 2340 . . 34 GLN HE22 . 18853 1 238 . 1 1 34 34 GLN C C 13 176.454 0.003 . 1 . 624 . . 34 GLN C . 18853 1 239 . 1 1 34 34 GLN CA C 13 57.424 0.055 . 1 . 768 . . 34 GLN CA . 18853 1 240 . 1 1 34 34 GLN CB C 13 30.247 0.092 . 1 . 769 . . 34 GLN CB . 18853 1 241 . 1 1 34 34 GLN CG C 13 35.098 0.061 . 1 . 1203 . . 34 GLN CG . 18853 1 242 . 1 1 34 34 GLN CD C 13 180.125 0.001 . 1 . 2342 . . 34 GLN CD . 18853 1 243 . 1 1 34 34 GLN N N 15 115.516 0.062 . 1 . 58 . . 34 GLN N . 18853 1 244 . 1 1 34 34 GLN NE2 N 15 110.932 0.002 . 1 . 963 . . 34 GLN NE2 . 18853 1 245 . 1 1 35 35 GLY H H 1 7.674 0.005 . 1 . 300 . . 35 GLY H . 18853 1 246 . 1 1 35 35 GLY HA2 H 1 3.984 0.006 . 2 . 2152 . . 35 GLY HA2 . 18853 1 247 . 1 1 35 35 GLY HA3 H 1 4.174 0.01 . 2 . 2151 . . 35 GLY HA3 . 18853 1 248 . 1 1 35 35 GLY C C 13 174.474 0.01 . 1 . 628 . . 35 GLY C . 18853 1 249 . 1 1 35 35 GLY CA C 13 46.437 0.078 . 1 . 1109 . . 35 GLY CA . 18853 1 250 . 1 1 35 35 GLY N N 15 106.215 0.041 . 1 . 301 . . 35 GLY N . 18853 1 251 . 1 1 36 36 THR H H 1 8.024 0.009 . 1 . 310 . . 36 THR H . 18853 1 252 . 1 1 36 36 THR HA H 1 4.193 0.006 . 1 . 2148 . . 36 THR HA . 18853 1 253 . 1 1 36 36 THR HB H 1 4.236 0.005 . 1 . 2147 . . 36 THR HB . 18853 1 254 . 1 1 36 36 THR HG21 H 1 1.137 0.004 . 1 . 2150 . . 36 THR HG21 . 18853 1 255 . 1 1 36 36 THR HG22 H 1 1.137 0.004 . 1 . 2150 . . 36 THR HG22 . 18853 1 256 . 1 1 36 36 THR HG23 H 1 1.137 0.004 . 1 . 2150 . . 36 THR HG23 . 18853 1 257 . 1 1 36 36 THR C C 13 173.513 0.015 . 1 . 526 . . 36 THR C . 18853 1 258 . 1 1 36 36 THR CA C 13 63.745 0.089 . 1 . 880 . . 36 THR CA . 18853 1 259 . 1 1 36 36 THR CB C 13 69.704 0.049 . 1 . 881 . . 36 THR CB . 18853 1 260 . 1 1 36 36 THR CG2 C 13 23.008 0.017 . 1 . 1204 . . 36 THR CG2 . 18853 1 261 . 1 1 36 36 THR N N 15 112.811 0.039 . 1 . 311 . . 36 THR N . 18853 1 262 . 1 1 37 37 ALA H H 1 7.404 0.011 . 1 . 527 . . 37 ALA H . 18853 1 263 . 1 1 37 37 ALA HA H 1 4.366 0.007 . 1 . 2143 . . 37 ALA HA . 18853 1 264 . 1 1 37 37 ALA HB1 H 1 0.666 0.014 . 1 . 2149 . . 37 ALA HB1 . 18853 1 265 . 1 1 37 37 ALA HB2 H 1 0.666 0.014 . 1 . 2149 . . 37 ALA HB2 . 18853 1 266 . 1 1 37 37 ALA HB3 H 1 0.666 0.014 . 1 . 2149 . . 37 ALA HB3 . 18853 1 267 . 1 1 37 37 ALA C C 13 175.400 0.031 . 1 . 623 . . 37 ALA C . 18853 1 268 . 1 1 37 37 ALA CA C 13 52.014 0.048 . 1 . 992 . . 37 ALA CA . 18853 1 269 . 1 1 37 37 ALA CB C 13 21.843 0.069 . 1 . 991 . . 37 ALA CB . 18853 1 270 . 1 1 37 37 ALA N N 15 123.781 0.033 . 1 . 528 . . 37 ALA N . 18853 1 271 . 1 1 38 38 GLN H H 1 8.297 0.013 . 1 . 298 . . 38 GLN H . 18853 1 272 . 1 1 38 38 GLN HA H 1 4.685 0.01 . 1 . 2142 . . 38 GLN HA . 18853 1 273 . 1 1 38 38 GLN HB2 H 1 1.938 0.007 . 2 . 2145 . . 38 GLN HB2 . 18853 1 274 . 1 1 38 38 GLN HB3 H 1 2.092 0.004 . 2 . 2144 . . 38 GLN HB3 . 18853 1 275 . 1 1 38 38 GLN HG2 H 1 2.280 0.01 . 2 . 2141 . . 38 GLN HG2 . 18853 1 276 . 1 1 38 38 GLN HG3 H 1 2.300 0.007 . 2 . 2330 . . 38 GLN HG3 . 18853 1 277 . 1 1 38 38 GLN HE21 H 1 7.327 0.009 . 1 . 953 . . 38 GLN HE21 . 18853 1 278 . 1 1 38 38 GLN HE22 H 1 6.669 0.01 . 1 . 955 . . 38 GLN HE22 . 18853 1 279 . 1 1 38 38 GLN C C 13 173.778 0.029 . 1 . 520 . . 38 GLN C . 18853 1 280 . 1 1 38 38 GLN CA C 13 56.521 0.064 . 1 . 994 . . 38 GLN CA . 18853 1 281 . 1 1 38 38 GLN CB C 13 32.839 0.086 . 1 . 993 . . 38 GLN CB . 18853 1 282 . 1 1 38 38 GLN CG C 13 34.586 0.045 . 1 . 1205 . . 38 GLN CG . 18853 1 283 . 1 1 38 38 GLN CD C 13 180.556 0.0 . 1 . 2329 . . 38 GLN CD . 18853 1 284 . 1 1 38 38 GLN N N 15 118.096 0.058 . 1 . 299 . . 38 GLN N . 18853 1 285 . 1 1 38 38 GLN NE2 N 15 111.602 0.073 . 1 . 954 . . 38 GLN NE2 . 18853 1 286 . 1 1 39 39 ALA H H 1 7.945 0.007 . 1 . 125 . . 39 ALA H . 18853 1 287 . 1 1 39 39 ALA HA H 1 4.341 0.01 . 1 . 2139 . . 39 ALA HA . 18853 1 288 . 1 1 39 39 ALA HB1 H 1 0.849 0.008 . 1 . 2140 . . 39 ALA HB1 . 18853 1 289 . 1 1 39 39 ALA HB2 H 1 0.849 0.008 . 1 . 2140 . . 39 ALA HB2 . 18853 1 290 . 1 1 39 39 ALA HB3 H 1 0.849 0.008 . 1 . 2140 . . 39 ALA HB3 . 18853 1 291 . 1 1 39 39 ALA C C 13 174.087 0.04 . 1 . 461 . . 39 ALA C . 18853 1 292 . 1 1 39 39 ALA CA C 13 52.105 0.075 . 1 . 996 . . 39 ALA CA . 18853 1 293 . 1 1 39 39 ALA CB C 13 22.572 0.068 . 1 . 995 . . 39 ALA CB . 18853 1 294 . 1 1 39 39 ALA N N 15 125.139 0.051 . 1 . 126 . . 39 ALA N . 18853 1 295 . 1 1 40 40 ASP H H 1 7.459 0.005 . 1 . 15 . . 40 ASP H . 18853 1 296 . 1 1 40 40 ASP HA H 1 4.694 0.006 . 1 . 2135 . . 40 ASP HA . 18853 1 297 . 1 1 40 40 ASP HB2 H 1 2.679 0.009 . 2 . 2137 . . 40 ASP HB2 . 18853 1 298 . 1 1 40 40 ASP HB3 H 1 3.065 0.019 . 2 . 2136 . . 40 ASP HB3 . 18853 1 299 . 1 1 40 40 ASP C C 13 175.542 0.1 . 1 . 599 . . 40 ASP C . 18853 1 300 . 1 1 40 40 ASP CA C 13 52.973 0.062 . 1 . 997 . . 40 ASP CA . 18853 1 301 . 1 1 40 40 ASP CB C 13 42.978 0.044 . 1 . 998 . . 40 ASP CB . 18853 1 302 . 1 1 40 40 ASP N N 15 116.865 0.048 . 1 . 16 . . 40 ASP N . 18853 1 303 . 1 1 41 41 SER H H 1 9.748 0.005 . 1 . 263 . . 41 SER H . 18853 1 304 . 1 1 41 41 SER HA H 1 3.798 0.007 . 1 . 2138 . . 41 SER HA . 18853 1 305 . 1 1 41 41 SER C C 13 176.083 0.1 . 1 . 679 . . 41 SER C . 18853 1 306 . 1 1 41 41 SER CA C 13 63.959 0.069 . 1 . 1027 . . 41 SER CA . 18853 1 307 . 1 1 41 41 SER CB C 13 62.672 0.071 . 1 . 999 . . 41 SER CB . 18853 1 308 . 1 1 41 41 SER N N 15 115.039 0.029 . 1 . 264 . . 41 SER N . 18853 1 309 . 1 1 42 42 ALA H H 1 7.537 0.006 . 1 . 399 . . 42 ALA H . 18853 1 310 . 1 1 42 42 ALA HA H 1 3.994 0.01 . 1 . 2134 . . 42 ALA HA . 18853 1 311 . 1 1 42 42 ALA HB1 H 1 1.408 0.008 . 1 . 2130 . . 42 ALA HB1 . 18853 1 312 . 1 1 42 42 ALA HB2 H 1 1.408 0.008 . 1 . 2130 . . 42 ALA HB2 . 18853 1 313 . 1 1 42 42 ALA HB3 H 1 1.408 0.008 . 1 . 2130 . . 42 ALA HB3 . 18853 1 314 . 1 1 42 42 ALA C C 13 180.228 0.1 . 1 . 738 . . 42 ALA C . 18853 1 315 . 1 1 42 42 ALA CA C 13 56.433 0.065 . 1 . 1028 . . 42 ALA CA . 18853 1 316 . 1 1 42 42 ALA CB C 13 19.021 0.069 . 1 . 852 . . 42 ALA CB . 18853 1 317 . 1 1 42 42 ALA N N 15 123.346 0.029 . 1 . 400 . . 42 ALA N . 18853 1 318 . 1 1 43 43 PHE H H 1 7.547 0.007 . 1 . 736 . . 43 PHE H . 18853 1 319 . 1 1 43 43 PHE HA H 1 4.045 0.008 . 1 . 2133 . . 43 PHE HA . 18853 1 320 . 1 1 43 43 PHE HB2 H 1 2.654 0.009 . 2 . 2131 . . 43 PHE HB2 . 18853 1 321 . 1 1 43 43 PHE HB3 H 1 3.082 0.009 . 2 . 2132 . . 43 PHE HB3 . 18853 1 322 . 1 1 43 43 PHE HD1 H 1 6.685 0.004 . 3 . 2620 . . 43 PHE HD1 . 18853 1 323 . 1 1 43 43 PHE HD2 H 1 6.685 0.004 . 3 . 2620 . . 43 PHE HD2 . 18853 1 324 . 1 1 43 43 PHE HE1 H 1 6.898 0.01 . 3 . 2622 . . 43 PHE HE1 . 18853 1 325 . 1 1 43 43 PHE HE2 H 1 6.898 0.01 . 3 . 2622 . . 43 PHE HE2 . 18853 1 326 . 1 1 43 43 PHE HZ H 1 7.033 0.004 . 1 . 2761 . . 43 PHE HZ . 18853 1 327 . 1 1 43 43 PHE C C 13 177.487 0.1 . 1 . 595 . . 43 PHE C . 18853 1 328 . 1 1 43 43 PHE CA C 13 62.162 0.092 . 1 . 890 . . 43 PHE CA . 18853 1 329 . 1 1 43 43 PHE CB C 13 39.808 0.079 . 1 . 891 . . 43 PHE CB . 18853 1 330 . 1 1 43 43 PHE CD1 C 13 132.822 0.051 . 3 . 2621 . . 43 PHE CD1 . 18853 1 331 . 1 1 43 43 PHE CD2 C 13 132.822 0.051 . 3 . 2621 . . 43 PHE CD2 . 18853 1 332 . 1 1 43 43 PHE CE1 C 13 132.014 0.066 . 3 . 2623 . . 43 PHE CE1 . 18853 1 333 . 1 1 43 43 PHE CE2 C 13 132.014 0.066 . 3 . 2623 . . 43 PHE CE2 . 18853 1 334 . 1 1 43 43 PHE CZ C 13 130.559 0.046 . 1 . 2762 . . 43 PHE CZ . 18853 1 335 . 1 1 43 43 PHE N N 15 119.279 0.051 . 1 . 737 . . 43 PHE N . 18853 1 336 . 1 1 44 44 TYR H H 1 7.420 0.01 . 1 . 401 . . 44 TYR H . 18853 1 337 . 1 1 44 44 TYR HA H 1 3.942 0.005 . 1 . 2750 . . 44 TYR HA . 18853 1 338 . 1 1 44 44 TYR HB2 H 1 2.700 0.015 . 2 . 2128 . . 44 TYR HB2 . 18853 1 339 . 1 1 44 44 TYR HB3 H 1 3.489 0.006 . 2 . 2697 . . 44 TYR HB3 . 18853 1 340 . 1 1 44 44 TYR HD1 H 1 6.935 0.006 . 3 . 2608 . . 44 TYR HD1 . 18853 1 341 . 1 1 44 44 TYR HD2 H 1 6.935 0.006 . 3 . 2608 . . 44 TYR HD2 . 18853 1 342 . 1 1 44 44 TYR HE1 H 1 6.690 0.006 . 3 . 2606 . . 44 TYR HE1 . 18853 1 343 . 1 1 44 44 TYR HE2 H 1 6.690 0.006 . 3 . 2606 . . 44 TYR HE2 . 18853 1 344 . 1 1 44 44 TYR C C 13 178.300 0.1 . 1 . 697 . . 44 TYR C . 18853 1 345 . 1 1 44 44 TYR CA C 13 60.570 0.063 . 1 . 1029 . . 44 TYR CA . 18853 1 346 . 1 1 44 44 TYR CB C 13 38.366 0.05 . 1 . 1030 . . 44 TYR CB . 18853 1 347 . 1 1 44 44 TYR CD1 C 13 133.007 0.08 . 3 . 2609 . . 44 TYR CD1 . 18853 1 348 . 1 1 44 44 TYR CD2 C 13 133.007 0.08 . 3 . 2609 . . 44 TYR CD2 . 18853 1 349 . 1 1 44 44 TYR CE1 C 13 119.961 0.095 . 3 . 2607 . . 44 TYR CE1 . 18853 1 350 . 1 1 44 44 TYR CE2 C 13 119.961 0.095 . 3 . 2607 . . 44 TYR CE2 . 18853 1 351 . 1 1 44 44 TYR N N 15 118.653 0.074 . 1 . 402 . . 44 TYR N . 18853 1 352 . 1 1 45 45 LEU H H 1 8.878 0.011 . 1 . 425 . . 45 LEU H . 18853 1 353 . 1 1 45 45 LEU HA H 1 3.905 0.005 . 1 . 2124 . . 45 LEU HA . 18853 1 354 . 1 1 45 45 LEU HB2 H 1 1.848 0.011 . 2 . 2431 . . 45 LEU HB2 . 18853 1 355 . 1 1 45 45 LEU HB3 H 1 1.336 0.005 . 2 . 2430 . . 45 LEU HB3 . 18853 1 356 . 1 1 45 45 LEU HG H 1 1.734 0.004 . 1 . 2129 . . 45 LEU HG . 18853 1 357 . 1 1 45 45 LEU HD11 H 1 0.833 0.009 . 2 . 2429 . . 45 LEU HD11 . 18853 1 358 . 1 1 45 45 LEU HD12 H 1 0.833 0.009 . 2 . 2429 . . 45 LEU HD12 . 18853 1 359 . 1 1 45 45 LEU HD13 H 1 0.833 0.009 . 2 . 2429 . . 45 LEU HD13 . 18853 1 360 . 1 1 45 45 LEU HD21 H 1 0.818 0.011 . 2 . 2125 . . 45 LEU HD21 . 18853 1 361 . 1 1 45 45 LEU HD22 H 1 0.818 0.011 . 2 . 2125 . . 45 LEU HD22 . 18853 1 362 . 1 1 45 45 LEU HD23 H 1 0.818 0.011 . 2 . 2125 . . 45 LEU HD23 . 18853 1 363 . 1 1 45 45 LEU C C 13 179.349 0.1 . 1 . 1469 . . 45 LEU C . 18853 1 364 . 1 1 45 45 LEU CA C 13 59.131 0.053 . 1 . 1463 . . 45 LEU CA . 18853 1 365 . 1 1 45 45 LEU CB C 13 42.707 0.087 . 1 . 1464 . . 45 LEU CB . 18853 1 366 . 1 1 45 45 LEU CG C 13 28.184 0.086 . 1 . 2432 . . 45 LEU CG . 18853 1 367 . 1 1 45 45 LEU CD1 C 13 24.626 0.023 . 2 . 1468 . . 45 LEU CD1 . 18853 1 368 . 1 1 45 45 LEU CD2 C 13 26.527 0.053 . 2 . 1467 . . 45 LEU CD2 . 18853 1 369 . 1 1 45 45 LEU N N 15 118.909 0.019 . 1 . 426 . . 45 LEU N . 18853 1 370 . 1 1 46 46 GLN H H 1 7.527 0.009 . 1 . 87 . . 46 GLN H . 18853 1 371 . 1 1 46 46 GLN HA H 1 3.845 0.005 . 1 . 2123 . . 46 GLN HA . 18853 1 372 . 1 1 46 46 GLN HB2 H 1 1.976 0.006 . 2 . 2127 . . 46 GLN HB2 . 18853 1 373 . 1 1 46 46 GLN HB3 H 1 1.871 0.006 . 2 . 2126 . . 46 GLN HB3 . 18853 1 374 . 1 1 46 46 GLN HG2 H 1 2.225 0.006 . 2 . 2122 . . 46 GLN HG2 . 18853 1 375 . 1 1 46 46 GLN HG3 H 1 2.033 0.011 . 2 . 2121 . . 46 GLN HG3 . 18853 1 376 . 1 1 46 46 GLN HE21 H 1 7.096 0.008 . 1 . 982 . . 46 GLN HE21 . 18853 1 377 . 1 1 46 46 GLN HE22 H 1 6.573 0.007 . 1 . 2351 . . 46 GLN HE22 . 18853 1 378 . 1 1 46 46 GLN C C 13 178.681 0.1 . 1 . 750 . . 46 GLN C . 18853 1 379 . 1 1 46 46 GLN CA C 13 59.802 0.08 . 1 . 1010 . . 46 GLN CA . 18853 1 380 . 1 1 46 46 GLN CB C 13 28.896 0.065 . 1 . 1011 . . 46 GLN CB . 18853 1 381 . 1 1 46 46 GLN CG C 13 34.704 0.047 . 1 . 1466 . . 46 GLN CG . 18853 1 382 . 1 1 46 46 GLN CD C 13 180.070 0.1 . 1 . 2352 . . 46 GLN CD . 18853 1 383 . 1 1 46 46 GLN N N 15 119.847 0.036 . 1 . 88 . . 46 GLN N . 18853 1 384 . 1 1 46 46 GLN NE2 N 15 110.390 0.001 . 1 . 983 . . 46 GLN NE2 . 18853 1 385 . 1 1 47 47 GLN H H 1 7.450 0.005 . 1 . 748 . . 47 GLN H . 18853 1 386 . 1 1 47 47 GLN HA H 1 3.216 0.009 . 1 . 2474 . . 47 GLN HA . 18853 1 387 . 1 1 47 47 GLN HB2 H 1 0.255 0.008 . 2 . 2475 . . 47 GLN HB2 . 18853 1 388 . 1 1 47 47 GLN HB3 H 1 -0.376 0.011 . 2 . 2476 . . 47 GLN HB3 . 18853 1 389 . 1 1 47 47 GLN HG2 H 1 -0.111 0.012 . 2 . 2477 . . 47 GLN HG2 . 18853 1 390 . 1 1 47 47 GLN HG3 H 1 0.797 0.009 . 2 . 2478 . . 47 GLN HG3 . 18853 1 391 . 1 1 47 47 GLN HE21 H 1 6.329 0.004 . 1 . 2772 . . 47 GLN HE21 . 18853 1 392 . 1 1 47 47 GLN HE22 H 1 5.378 0.002 . 1 . 2775 . . 47 GLN HE22 . 18853 1 393 . 1 1 47 47 GLN C C 13 179.515 0.1 . 1 . 523 . . 47 GLN C . 18853 1 394 . 1 1 47 47 GLN CA C 13 58.227 0.073 . 1 . 1439 . . 47 GLN CA . 18853 1 395 . 1 1 47 47 GLN CB C 13 26.419 0.062 . 1 . 1438 . . 47 GLN CB . 18853 1 396 . 1 1 47 47 GLN CG C 13 32.953 0.069 . 1 . 1465 . . 47 GLN CG . 18853 1 397 . 1 1 47 47 GLN CD C 13 178.644 0.1 . 1 . 2774 . . 47 GLN CD . 18853 1 398 . 1 1 47 47 GLN N N 15 116.659 0.055 . 1 . 749 . . 47 GLN N . 18853 1 399 . 1 1 47 47 GLN NE2 N 15 112.432 0.1 . 1 . 2773 . . 47 GLN NE2 . 18853 1 400 . 1 1 48 48 MET H H 1 8.176 0.007 . 1 . 133 . . 48 MET H . 18853 1 401 . 1 1 48 48 MET HA H 1 3.728 0.006 . 1 . 2118 . . 48 MET HA . 18853 1 402 . 1 1 48 48 MET HB2 H 1 2.076 0.006 . 2 . 2120 . . 48 MET HB2 . 18853 1 403 . 1 1 48 48 MET HB3 H 1 2.211 0.013 . 2 . 2704 . . 48 MET HB3 . 18853 1 404 . 1 1 48 48 MET HG3 H 1 2.685 0.004 . 1 . 2117 . . 48 MET HG3 . 18853 1 405 . 1 1 48 48 MET HE1 H 1 1.970 0.004 . 1 . 2119 . . 48 MET HE1 . 18853 1 406 . 1 1 48 48 MET HE2 H 1 1.970 0.004 . 1 . 2119 . . 48 MET HE2 . 18853 1 407 . 1 1 48 48 MET HE3 H 1 1.970 0.004 . 1 . 2119 . . 48 MET HE3 . 18853 1 408 . 1 1 48 48 MET C C 13 177.306 0.1 . 1 . 539 . . 48 MET C . 18853 1 409 . 1 1 48 48 MET CA C 13 61.075 0.064 . 1 . 798 . . 48 MET CA . 18853 1 410 . 1 1 48 48 MET CB C 13 34.773 0.045 . 1 . 799 . . 48 MET CB . 18853 1 411 . 1 1 48 48 MET CG C 13 33.224 0.071 . 1 . 1434 . . 48 MET CG . 18853 1 412 . 1 1 48 48 MET CE C 13 18.417 0.044 . 1 . 2531 . . 48 MET CE . 18853 1 413 . 1 1 48 48 MET N N 15 119.715 0.038 . 1 . 134 . . 48 MET N . 18853 1 414 . 1 1 49 49 GLN H H 1 7.483 0.008 . 1 . 373 . . 49 GLN H . 18853 1 415 . 1 1 49 49 GLN HA H 1 4.029 0.006 . 1 . 2113 . . 49 GLN HA . 18853 1 416 . 1 1 49 49 GLN HB2 H 1 2.093 0.009 . 2 . 2114 . . 49 GLN HB2 . 18853 1 417 . 1 1 49 49 GLN HB3 H 1 2.105 0.004 . 2 . 2473 . . 49 GLN HB3 . 18853 1 418 . 1 1 49 49 GLN HG2 H 1 2.400 0.015 . 2 . 2115 . . 49 GLN HG2 . 18853 1 419 . 1 1 49 49 GLN HG3 H 1 2.436 0.017 . 2 . 2472 . . 49 GLN HG3 . 18853 1 420 . 1 1 49 49 GLN C C 13 177.026 0.01 . 1 . 482 . . 49 GLN C . 18853 1 421 . 1 1 49 49 GLN CA C 13 59.011 0.053 . 1 . 1024 . . 49 GLN CA . 18853 1 422 . 1 1 49 49 GLN CB C 13 29.834 0.048 . 1 . 835 . . 49 GLN CB . 18853 1 423 . 1 1 49 49 GLN CG C 13 34.860 0.078 . 1 . 1206 . . 49 GLN CG . 18853 1 424 . 1 1 49 49 GLN N N 15 114.536 0.038 . 1 . 374 . . 49 GLN N . 18853 1 425 . 1 1 50 50 GLN H H 1 7.151 0.006 . 1 . 45 . . 50 GLN H . 18853 1 426 . 1 1 50 50 GLN HA H 1 4.426 0.003 . 1 . 2111 . . 50 GLN HA . 18853 1 427 . 1 1 50 50 GLN HB2 H 1 2.155 0.008 . 2 . 2116 . . 50 GLN HB2 . 18853 1 428 . 1 1 50 50 GLN HB3 H 1 1.824 0.004 . 2 . 2748 . . 50 GLN HB3 . 18853 1 429 . 1 1 50 50 GLN HG2 H 1 2.303 0.005 . 2 . 2112 . . 50 GLN HG2 . 18853 1 430 . 1 1 50 50 GLN HG3 H 1 2.310 0.006 . 2 . 2471 . . 50 GLN HG3 . 18853 1 431 . 1 1 50 50 GLN HE21 H 1 7.034 0.005 . 1 . 984 . . 50 GLN HE21 . 18853 1 432 . 1 1 50 50 GLN HE22 H 1 6.583 0.001 . 1 . 2787 . . 50 GLN HE22 . 18853 1 433 . 1 1 50 50 GLN C C 13 175.230 0.027 . 1 . 530 . . 50 GLN C . 18853 1 434 . 1 1 50 50 GLN CA C 13 56.194 0.108 . 1 . 1069 . . 50 GLN CA . 18853 1 435 . 1 1 50 50 GLN CB C 13 30.354 0.054 . 1 . 802 . . 50 GLN CB . 18853 1 436 . 1 1 50 50 GLN CG C 13 34.693 0.065 . 1 . 1207 . . 50 GLN CG . 18853 1 437 . 1 1 50 50 GLN CD C 13 180.330 0.001 . 1 . 2788 . . 50 GLN CD . 18853 1 438 . 1 1 50 50 GLN N N 15 114.856 0.034 . 1 . 46 . . 50 GLN N . 18853 1 439 . 1 1 50 50 GLN NE2 N 15 110.352 0.0 . 1 . 985 . . 50 GLN NE2 . 18853 1 440 . 1 1 51 51 SER H H 1 7.314 0.004 . 1 . 139 . . 51 SER H . 18853 1 441 . 1 1 51 51 SER HA H 1 4.741 0.006 . 1 . 2109 . . 51 SER HA . 18853 1 442 . 1 1 51 51 SER HB2 H 1 3.959 0.009 . 2 . 2110 . . 51 SER HB2 . 18853 1 443 . 1 1 51 51 SER HB3 H 1 3.972 0.012 . 2 . 2255 . . 51 SER HB3 . 18853 1 444 . 1 1 51 51 SER C C 13 173.250 0.014 . 1 . 501 . . 51 SER C . 18853 1 445 . 1 1 51 51 SER CA C 13 59.604 0.061 . 1 . 801 . . 51 SER CA . 18853 1 446 . 1 1 51 51 SER CB C 13 66.562 0.093 . 1 . 800 . . 51 SER CB . 18853 1 447 . 1 1 51 51 SER N N 15 114.413 0.029 . 1 . 140 . . 51 SER N . 18853 1 448 . 1 1 52 52 SER H H 1 8.557 0.012 . 1 . 81 . . 52 SER H . 18853 1 449 . 1 1 52 52 SER HA H 1 4.736 0.004 . 1 . 2106 . . 52 SER HA . 18853 1 450 . 1 1 52 52 SER HB2 H 1 3.858 0.011 . 2 . 2108 . . 52 SER HB2 . 18853 1 451 . 1 1 52 52 SER HB3 H 1 3.951 0.006 . 2 . 2107 . . 52 SER HB3 . 18853 1 452 . 1 1 52 52 SER C C 13 173.926 0.016 . 1 . 485 . . 52 SER C . 18853 1 453 . 1 1 52 52 SER CA C 13 58.405 0.068 . 1 . 919 . . 52 SER CA . 18853 1 454 . 1 1 52 52 SER CB C 13 66.674 0.086 . 1 . 918 . . 52 SER CB . 18853 1 455 . 1 1 52 52 SER N N 15 115.428 0.034 . 1 . 82 . . 52 SER N . 18853 1 456 . 1 1 53 53 ASP H H 1 8.540 0.007 . 1 . 51 . . 53 ASP H . 18853 1 457 . 1 1 53 53 ASP HA H 1 4.455 0.006 . 1 . 2105 . . 53 ASP HA . 18853 1 458 . 1 1 53 53 ASP HB2 H 1 2.885 0.006 . 2 . 2104 . . 53 ASP HB2 . 18853 1 459 . 1 1 53 53 ASP HB3 H 1 2.976 0.006 . 2 . 2103 . . 53 ASP HB3 . 18853 1 460 . 1 1 53 53 ASP C C 13 176.474 0.031 . 1 . 604 . . 53 ASP C . 18853 1 461 . 1 1 53 53 ASP CA C 13 56.330 0.077 . 1 . 1070 . . 53 ASP CA . 18853 1 462 . 1 1 53 53 ASP CB C 13 41.981 0.084 . 1 . 1071 . . 53 ASP CB . 18853 1 463 . 1 1 53 53 ASP N N 15 120.544 0.038 . 1 . 52 . . 53 ASP N . 18853 1 464 . 1 1 54 54 ASP H H 1 8.549 0.006 . 1 . 273 . . 54 ASP H . 18853 1 465 . 1 1 54 54 ASP HA H 1 4.382 0.006 . 1 . 2102 . . 54 ASP HA . 18853 1 466 . 1 1 54 54 ASP HB2 H 1 2.695 0.004 . 2 . 2311 . . 54 ASP HB2 . 18853 1 467 . 1 1 54 54 ASP HB3 H 1 2.692 0.003 . 2 . 2101 . . 54 ASP HB3 . 18853 1 468 . 1 1 54 54 ASP C C 13 177.703 0.033 . 1 . 492 . . 54 ASP C . 18853 1 469 . 1 1 54 54 ASP CA C 13 58.043 0.076 . 1 . 772 . . 54 ASP CA . 18853 1 470 . 1 1 54 54 ASP CB C 13 41.075 0.07 . 1 . 771 . . 54 ASP CB . 18853 1 471 . 1 1 54 54 ASP N N 15 119.244 0.05 . 1 . 274 . . 54 ASP N . 18853 1 472 . 1 1 55 55 THR H H 1 8.037 0.005 . 1 . 61 . . 55 THR H . 18853 1 473 . 1 1 55 55 THR HA H 1 3.938 0.01 . 1 . 2096 . . 55 THR HA . 18853 1 474 . 1 1 55 55 THR HB H 1 4.342 0.008 . 1 . 2095 . . 55 THR HB . 18853 1 475 . 1 1 55 55 THR HG21 H 1 1.355 0.004 . 1 . 2093 . . 55 THR HG21 . 18853 1 476 . 1 1 55 55 THR HG22 H 1 1.355 0.004 . 1 . 2093 . . 55 THR HG22 . 18853 1 477 . 1 1 55 55 THR HG23 H 1 1.355 0.004 . 1 . 2093 . . 55 THR HG23 . 18853 1 478 . 1 1 55 55 THR C C 13 175.358 0.1 . 1 . 678 . . 55 THR C . 18853 1 479 . 1 1 55 55 THR CA C 13 66.488 0.078 . 1 . 770 . . 55 THR CA . 18853 1 480 . 1 1 55 55 THR CB C 13 70.154 0.085 . 1 . 917 . . 55 THR CB . 18853 1 481 . 1 1 55 55 THR CG2 C 13 23.561 0.07 . 1 . 1208 . . 55 THR CG2 . 18853 1 482 . 1 1 55 55 THR N N 15 114.843 0.045 . 1 . 62 . . 55 THR N . 18853 1 483 . 1 1 56 56 ARG H H 1 7.415 0.006 . 1 . 397 . . 56 ARG H . 18853 1 484 . 1 1 56 56 ARG HA H 1 4.083 0.006 . 1 . 2094 . . 56 ARG HA . 18853 1 485 . 1 1 56 56 ARG HD2 H 1 3.287 0.006 . 2 . 2098 . . 56 ARG HD2 . 18853 1 486 . 1 1 56 56 ARG HD3 H 1 3.195 0.007 . 2 . 2097 . . 56 ARG HD3 . 18853 1 487 . 1 1 56 56 ARG HE H 1 7.108 0.007 . 1 . 13 . . 56 ARG HE . 18853 1 488 . 1 1 56 56 ARG C C 13 177.488 0.1 . 1 . 641 . . 56 ARG C . 18853 1 489 . 1 1 56 56 ARG CA C 13 61.560 0.061 . 1 . 851 . . 56 ARG CA . 18853 1 490 . 1 1 56 56 ARG CB C 13 31.321 0.033 . 1 . 850 . . 56 ARG CB . 18853 1 491 . 1 1 56 56 ARG CG C 13 26.038 0.1 . 1 . 1209 . . 56 ARG CG . 18853 1 492 . 1 1 56 56 ARG CD C 13 44.568 0.034 . 1 . 1210 . . 56 ARG CD . 18853 1 493 . 1 1 56 56 ARG CZ C 13 159.592 0.1 . 1 . 2547 . . 56 ARG CZ . 18853 1 494 . 1 1 56 56 ARG N N 15 121.604 0.055 . 1 . 398 . . 56 ARG N . 18853 1 495 . 1 1 56 56 ARG NE N 15 85.827 0.026 . 1 . 14 . . 56 ARG NE . 18853 1 496 . 1 1 57 57 ILE H H 1 7.372 0.007 . 1 . 336 . . 57 ILE H . 18853 1 497 . 1 1 57 57 ILE HA H 1 3.667 0.008 . 1 . 2392 . . 57 ILE HA . 18853 1 498 . 1 1 57 57 ILE HB H 1 1.851 0.007 . 1 . 2091 . . 57 ILE HB . 18853 1 499 . 1 1 57 57 ILE HG12 H 1 0.979 0.01 . 2 . 2090 . . 57 ILE HG12 . 18853 1 500 . 1 1 57 57 ILE HG13 H 1 1.667 0.009 . 2 . 2092 . . 57 ILE HG13 . 18853 1 501 . 1 1 57 57 ILE HG21 H 1 0.664 0.005 . 1 . 2389 . . 57 ILE HG21 . 18853 1 502 . 1 1 57 57 ILE HG22 H 1 0.664 0.005 . 1 . 2389 . . 57 ILE HG22 . 18853 1 503 . 1 1 57 57 ILE HG23 H 1 0.664 0.005 . 1 . 2389 . . 57 ILE HG23 . 18853 1 504 . 1 1 57 57 ILE HD11 H 1 0.858 0.007 . 1 . 2391 . . 57 ILE HD11 . 18853 1 505 . 1 1 57 57 ILE HD12 H 1 0.858 0.007 . 1 . 2391 . . 57 ILE HD12 . 18853 1 506 . 1 1 57 57 ILE HD13 H 1 0.858 0.007 . 1 . 2391 . . 57 ILE HD13 . 18853 1 507 . 1 1 57 57 ILE C C 13 178.288 0.1 . 1 . 611 . . 57 ILE C . 18853 1 508 . 1 1 57 57 ILE CA C 13 65.061 0.1 . 1 . 1072 . . 57 ILE CA . 18853 1 509 . 1 1 57 57 ILE CB C 13 38.168 0.062 . 1 . 1421 . . 57 ILE CB . 18853 1 510 . 1 1 57 57 ILE CG1 C 13 29.867 0.114 . 1 . 2393 . . 57 ILE CG1 . 18853 1 511 . 1 1 57 57 ILE CG2 C 13 18.663 0.055 . 1 . 1422 . . 57 ILE CG2 . 18853 1 512 . 1 1 57 57 ILE CD1 C 13 13.927 0.069 . 1 . 2390 . . 57 ILE CD1 . 18853 1 513 . 1 1 57 57 ILE N N 15 116.630 0.035 . 1 . 337 . . 57 ILE N . 18853 1 514 . 1 1 58 58 ASN H H 1 7.560 0.009 . 1 . 281 . . 58 ASN H . 18853 1 515 . 1 1 58 58 ASN HA H 1 4.311 0.006 . 1 . 2089 . . 58 ASN HA . 18853 1 516 . 1 1 58 58 ASN HB2 H 1 2.663 0.01 . 2 . 2087 . . 58 ASN HB2 . 18853 1 517 . 1 1 58 58 ASN HB3 H 1 2.346 0.004 . 2 . 2696 . . 58 ASN HB3 . 18853 1 518 . 1 1 58 58 ASN C C 13 177.986 0.1 . 1 . 505 . . 58 ASN C . 18853 1 519 . 1 1 58 58 ASN CA C 13 57.241 0.044 . 1 . 1416 . . 58 ASN CA . 18853 1 520 . 1 1 58 58 ASN CB C 13 38.106 0.066 . 1 . 1415 . . 58 ASN CB . 18853 1 521 . 1 1 58 58 ASN N N 15 119.049 0.06 . 1 . 282 . . 58 ASN N . 18853 1 522 . 1 1 59 59 TRP H H 1 7.649 0.005 . 1 . 93 . . 59 TRP H . 18853 1 523 . 1 1 59 59 TRP HA H 1 4.625 0.003 . 1 . 2742 . . 59 TRP HA . 18853 1 524 . 1 1 59 59 TRP HB2 H 1 2.946 0.01 . 2 . 2088 . . 59 TRP HB2 . 18853 1 525 . 1 1 59 59 TRP HB3 H 1 3.463 0.01 . 2 . 2576 . . 59 TRP HB3 . 18853 1 526 . 1 1 59 59 TRP HD1 H 1 7.009 0.007 . 1 . 2569 . . 59 TRP HD1 . 18853 1 527 . 1 1 59 59 TRP HE1 H 1 10.067 0.007 . 1 . 159 . . 59 TRP HE1 . 18853 1 528 . 1 1 59 59 TRP HZ2 H 1 7.415 0.006 . 1 . 2592 . . 59 TRP HZ2 . 18853 1 529 . 1 1 59 59 TRP C C 13 177.541 0.1 . 1 . 636 . . 59 TRP C . 18853 1 530 . 1 1 59 59 TRP CA C 13 60.766 0.082 . 1 . 1417 . . 59 TRP CA . 18853 1 531 . 1 1 59 59 TRP CB C 13 30.807 0.067 . 1 . 1418 . . 59 TRP CB . 18853 1 532 . 1 1 59 59 TRP CD1 C 13 129.977 0.064 . 1 . 2568 . . 59 TRP CD1 . 18853 1 533 . 1 1 59 59 TRP CZ2 C 13 115.709 0.102 . 1 . 2591 . . 59 TRP CZ2 . 18853 1 534 . 1 1 59 59 TRP N N 15 117.621 0.029 . 1 . 94 . . 59 TRP N . 18853 1 535 . 1 1 59 59 TRP NE1 N 15 128.765 0.016 . 1 . 160 . . 59 TRP NE1 . 18853 1 536 . 1 1 60 60 GLN H H 1 8.502 0.006 . 1 . 326 . . 60 GLN H . 18853 1 537 . 1 1 60 60 GLN HA H 1 4.027 0.015 . 1 . 2083 . . 60 GLN HA . 18853 1 538 . 1 1 60 60 GLN HG2 H 1 2.321 0.01 . 2 . 2084 . . 60 GLN HG2 . 18853 1 539 . 1 1 60 60 GLN HG3 H 1 2.227 0.01 . 2 . 2085 . . 60 GLN HG3 . 18853 1 540 . 1 1 60 60 GLN HE21 H 1 6.393 0.009 . 1 . 2779 . . 60 GLN HE21 . 18853 1 541 . 1 1 60 60 GLN HE22 H 1 5.414 0.005 . 1 . 2781 . . 60 GLN HE22 . 18853 1 542 . 1 1 60 60 GLN C C 13 178.202 0.1 . 1 . 729 . . 60 GLN C . 18853 1 543 . 1 1 60 60 GLN CA C 13 61.051 0.058 . 1 . 1420 . . 60 GLN CA . 18853 1 544 . 1 1 60 60 GLN CB C 13 29.526 0.023 . 1 . 1419 . . 60 GLN CB . 18853 1 545 . 1 1 60 60 GLN N N 15 121.639 0.05 . 1 . 327 . . 60 GLN N . 18853 1 546 . 1 1 60 60 GLN NE2 N 15 104.104 0.1 . 1 . 2780 . . 60 GLN NE2 . 18853 1 547 . 1 1 61 61 LEU H H 1 8.492 0.009 . 1 . 727 . . 61 LEU H . 18853 1 548 . 1 1 61 61 LEU HD21 H 1 0.876 0.003 . 1 . 2734 . . 61 LEU HD21 . 18853 1 549 . 1 1 61 61 LEU HD22 H 1 0.876 0.003 . 1 . 2734 . . 61 LEU HD22 . 18853 1 550 . 1 1 61 61 LEU HD23 H 1 0.876 0.003 . 1 . 2734 . . 61 LEU HD23 . 18853 1 551 . 1 1 61 61 LEU CA C 13 59.461 0.083 . 1 . 1503 . . 61 LEU CA . 18853 1 552 . 1 1 61 61 LEU CB C 13 45.144 0.1 . 1 . 1504 . . 61 LEU CB . 18853 1 553 . 1 1 61 61 LEU CD2 C 13 27.565 0.071 . 1 . 2735 . . 61 LEU CD2 . 18853 1 554 . 1 1 61 61 LEU N N 15 118.438 0.068 . 1 . 728 . . 61 LEU N . 18853 1 555 . 1 1 62 62 LEU H H 1 7.678 0.013 . 1 . 2082 . . 62 LEU H . 18853 1 556 . 1 1 62 62 LEU HA H 1 3.677 0.007 . 1 . 2427 . . 62 LEU HA . 18853 1 557 . 1 1 62 62 LEU HB2 H 1 1.458 0.01 . 2 . 2744 . . 62 LEU HB2 . 18853 1 558 . 1 1 62 62 LEU HB3 H 1 -0.217 0.012 . 2 . 2743 . . 62 LEU HB3 . 18853 1 559 . 1 1 62 62 LEU HG H 1 1.421 0.011 . 1 . 2428 . . 62 LEU HG . 18853 1 560 . 1 1 62 62 LEU HD11 H 1 0.601 0.005 . 2 . 2081 . . 62 LEU HD11 . 18853 1 561 . 1 1 62 62 LEU HD12 H 1 0.601 0.005 . 2 . 2081 . . 62 LEU HD12 . 18853 1 562 . 1 1 62 62 LEU HD13 H 1 0.601 0.005 . 2 . 2081 . . 62 LEU HD13 . 18853 1 563 . 1 1 62 62 LEU HD21 H 1 0.600 0.004 . 2 . 2660 . . 62 LEU HD21 . 18853 1 564 . 1 1 62 62 LEU HD22 H 1 0.600 0.004 . 2 . 2660 . . 62 LEU HD22 . 18853 1 565 . 1 1 62 62 LEU HD23 H 1 0.600 0.004 . 2 . 2660 . . 62 LEU HD23 . 18853 1 566 . 1 1 62 62 LEU C C 13 178.444 0.1 . 1 . 691 . . 62 LEU C . 18853 1 567 . 1 1 62 62 LEU CA C 13 59.006 0.071 . 1 . 1507 . . 62 LEU CA . 18853 1 568 . 1 1 62 62 LEU CB C 13 41.128 0.056 . 1 . 1506 . . 62 LEU CB . 18853 1 569 . 1 1 62 62 LEU CG C 13 28.213 0.108 . 1 . 1508 . . 62 LEU CG . 18853 1 570 . 1 1 62 62 LEU CD1 C 13 24.225 0.045 . 2 . 1509 . . 62 LEU CD1 . 18853 1 571 . 1 1 62 62 LEU CD2 C 13 28.079 0.048 . 2 . 2661 . . 62 LEU CD2 . 18853 1 572 . 1 1 63 63 ALA H H 1 8.773 0.007 . 1 . 693 . . 63 ALA H . 18853 1 573 . 1 1 63 63 ALA HA H 1 4.013 0.007 . 1 . 2080 . . 63 ALA HA . 18853 1 574 . 1 1 63 63 ALA HB1 H 1 1.458 0.006 . 1 . 2079 . . 63 ALA HB1 . 18853 1 575 . 1 1 63 63 ALA HB2 H 1 1.458 0.006 . 1 . 2079 . . 63 ALA HB2 . 18853 1 576 . 1 1 63 63 ALA HB3 H 1 1.458 0.006 . 1 . 2079 . . 63 ALA HB3 . 18853 1 577 . 1 1 63 63 ALA C C 13 179.005 0.1 . 1 . 478 . . 63 ALA C . 18853 1 578 . 1 1 63 63 ALA CA C 13 57.174 0.069 . 1 . 866 . . 63 ALA CA . 18853 1 579 . 1 1 63 63 ALA CB C 13 19.093 0.083 . 1 . 865 . . 63 ALA CB . 18853 1 580 . 1 1 63 63 ALA N N 15 121.821 0.044 . 1 . 694 . . 63 ALA N . 18853 1 581 . 1 1 64 64 ILE H H 1 8.282 0.008 . 1 . 480 . . 64 ILE H . 18853 1 582 . 1 1 64 64 ILE HA H 1 3.517 0.005 . 1 . 2709 . . 64 ILE HA . 18853 1 583 . 1 1 64 64 ILE HB H 1 2.085 0.007 . 1 . 2736 . . 64 ILE HB . 18853 1 584 . 1 1 64 64 ILE HG21 H 1 1.081 0.006 . 1 . 2655 . . 64 ILE HG21 . 18853 1 585 . 1 1 64 64 ILE HG22 H 1 1.081 0.006 . 1 . 2655 . . 64 ILE HG22 . 18853 1 586 . 1 1 64 64 ILE HG23 H 1 1.081 0.006 . 1 . 2655 . . 64 ILE HG23 . 18853 1 587 . 1 1 64 64 ILE HD11 H 1 0.928 0.009 . 1 . 2656 . . 64 ILE HD11 . 18853 1 588 . 1 1 64 64 ILE HD12 H 1 0.928 0.009 . 1 . 2656 . . 64 ILE HD12 . 18853 1 589 . 1 1 64 64 ILE HD13 H 1 0.928 0.009 . 1 . 2656 . . 64 ILE HD13 . 18853 1 590 . 1 1 64 64 ILE CA C 13 67.761 0.03 . 1 . 1505 . . 64 ILE CA . 18853 1 591 . 1 1 64 64 ILE CB C 13 38.942 0.063 . 1 . 2737 . . 64 ILE CB . 18853 1 592 . 1 1 64 64 ILE CG2 C 13 20.784 0.044 . 1 . 2654 . . 64 ILE CG2 . 18853 1 593 . 1 1 64 64 ILE CD1 C 13 16.870 0.041 . 1 . 2657 . . 64 ILE CD1 . 18853 1 594 . 1 1 64 64 ILE N N 15 116.913 0.048 . 1 . 481 . . 64 ILE N . 18853 1 595 . 1 1 65 65 ARG H H 1 7.474 0.009 . 1 . 2076 . . 65 ARG H . 18853 1 596 . 1 1 65 65 ARG HA H 1 3.676 0.006 . 1 . 2078 . . 65 ARG HA . 18853 1 597 . 1 1 65 65 ARG HB2 H 1 2.072 0.009 . 2 . 2541 . . 65 ARG HB2 . 18853 1 598 . 1 1 65 65 ARG HB3 H 1 2.158 0.008 . 2 . 2545 . . 65 ARG HB3 . 18853 1 599 . 1 1 65 65 ARG HG2 H 1 1.694 0.005 . 2 . 2546 . . 65 ARG HG2 . 18853 1 600 . 1 1 65 65 ARG HG3 H 1 1.686 0.004 . 2 . 2543 . . 65 ARG HG3 . 18853 1 601 . 1 1 65 65 ARG HD2 H 1 3.252 0.008 . 2 . 2544 . . 65 ARG HD2 . 18853 1 602 . 1 1 65 65 ARG HD3 H 1 3.202 0.006 . 2 . 2542 . . 65 ARG HD3 . 18853 1 603 . 1 1 65 65 ARG HE H 1 7.592 0.008 . 1 . 279 . . 65 ARG HE . 18853 1 604 . 1 1 65 65 ARG C C 13 178.448 0.006 . 1 . 690 . . 65 ARG C . 18853 1 605 . 1 1 65 65 ARG CA C 13 60.902 0.072 . 1 . 862 . . 65 ARG CA . 18853 1 606 . 1 1 65 65 ARG CB C 13 31.876 0.056 . 1 . 1404 . . 65 ARG CB . 18853 1 607 . 1 1 65 65 ARG CG C 13 27.483 0.025 . 1 . 1406 . . 65 ARG CG . 18853 1 608 . 1 1 65 65 ARG CD C 13 45.309 0.08 . 1 . 1405 . . 65 ARG CD . 18853 1 609 . 1 1 65 65 ARG CZ C 13 159.642 0.1 . 1 . 610 . . 65 ARG CZ . 18853 1 610 . 1 1 65 65 ARG NE N 15 85.075 0.034 . 1 . 280 . . 65 ARG NE . 18853 1 611 . 1 1 66 66 ALA H H 1 8.367 0.009 . 1 . 415 . . 66 ALA H . 18853 1 612 . 1 1 66 66 ALA HA H 1 4.241 0.006 . 1 . 2077 . . 66 ALA HA . 18853 1 613 . 1 1 66 66 ALA HB1 H 1 1.660 0.006 . 1 . 2074 . . 66 ALA HB1 . 18853 1 614 . 1 1 66 66 ALA HB2 H 1 1.660 0.006 . 1 . 2074 . . 66 ALA HB2 . 18853 1 615 . 1 1 66 66 ALA HB3 H 1 1.660 0.006 . 1 . 2074 . . 66 ALA HB3 . 18853 1 616 . 1 1 66 66 ALA C C 13 178.987 0.1 . 1 . 631 . . 66 ALA C . 18853 1 617 . 1 1 66 66 ALA CA C 13 56.036 0.073 . 1 . 861 . . 66 ALA CA . 18853 1 618 . 1 1 66 66 ALA CB C 13 19.526 0.047 . 1 . 860 . . 66 ALA CB . 18853 1 619 . 1 1 66 66 ALA N N 15 120.843 0.047 . 1 . 416 . . 66 ALA N . 18853 1 620 . 1 1 67 67 LEU H H 1 8.832 0.009 . 1 . 316 . . 67 LEU H . 18853 1 621 . 1 1 67 67 LEU HA H 1 3.993 0.009 . 1 . 2073 . . 67 LEU HA . 18853 1 622 . 1 1 67 67 LEU HB3 H 1 2.018 0.015 . 1 . 2664 . . 67 LEU HB3 . 18853 1 623 . 1 1 67 67 LEU HD11 H 1 0.904 0.006 . 2 . 2718 . . 67 LEU HD11 . 18853 1 624 . 1 1 67 67 LEU HD12 H 1 0.904 0.006 . 2 . 2718 . . 67 LEU HD12 . 18853 1 625 . 1 1 67 67 LEU HD13 H 1 0.904 0.006 . 2 . 2718 . . 67 LEU HD13 . 18853 1 626 . 1 1 67 67 LEU HD21 H 1 0.709 0.004 . 2 . 2071 . . 67 LEU HD21 . 18853 1 627 . 1 1 67 67 LEU HD22 H 1 0.709 0.004 . 2 . 2071 . . 67 LEU HD22 . 18853 1 628 . 1 1 67 67 LEU HD23 H 1 0.709 0.004 . 2 . 2071 . . 67 LEU HD23 . 18853 1 629 . 1 1 67 67 LEU C C 13 179.523 0.1 . 1 . 618 . . 67 LEU C . 18853 1 630 . 1 1 67 67 LEU CA C 13 59.463 0.093 . 1 . 1403 . . 67 LEU CA . 18853 1 631 . 1 1 67 67 LEU CB C 13 42.896 0.051 . 1 . 1374 . . 67 LEU CB . 18853 1 632 . 1 1 67 67 LEU CD1 C 13 24.734 0.044 . 2 . 2717 . . 67 LEU CD1 . 18853 1 633 . 1 1 67 67 LEU CD2 C 13 27.209 0.024 . 2 . 2426 . . 67 LEU CD2 . 18853 1 634 . 1 1 67 67 LEU N N 15 118.885 0.019 . 1 . 317 . . 67 LEU N . 18853 1 635 . 1 1 68 68 VAL H H 1 8.025 0.01 . 1 . 288 . . 68 VAL H . 18853 1 636 . 1 1 68 68 VAL HA H 1 3.291 0.007 . 1 . 2068 . . 68 VAL HA . 18853 1 637 . 1 1 68 68 VAL HB H 1 2.180 0.003 . 1 . 2069 . . 68 VAL HB . 18853 1 638 . 1 1 68 68 VAL HG11 H 1 0.886 0.01 . 2 . 2072 . . 68 VAL HG11 . 18853 1 639 . 1 1 68 68 VAL HG12 H 1 0.886 0.01 . 2 . 2072 . . 68 VAL HG12 . 18853 1 640 . 1 1 68 68 VAL HG13 H 1 0.886 0.01 . 2 . 2072 . . 68 VAL HG13 . 18853 1 641 . 1 1 68 68 VAL HG21 H 1 0.791 0.006 . 2 . 2273 . . 68 VAL HG21 . 18853 1 642 . 1 1 68 68 VAL HG22 H 1 0.791 0.006 . 2 . 2273 . . 68 VAL HG22 . 18853 1 643 . 1 1 68 68 VAL HG23 H 1 0.791 0.006 . 2 . 2273 . . 68 VAL HG23 . 18853 1 644 . 1 1 68 68 VAL C C 13 179.935 0.1 . 1 . 614 . . 68 VAL C . 18853 1 645 . 1 1 68 68 VAL CA C 13 68.443 0.081 . 1 . 1401 . . 68 VAL CA . 18853 1 646 . 1 1 68 68 VAL CB C 13 32.341 0.088 . 1 . 1402 . . 68 VAL CB . 18853 1 647 . 1 1 68 68 VAL CG1 C 13 25.327 0.037 . 2 . 2272 . . 68 VAL CG1 . 18853 1 648 . 1 1 68 68 VAL CG2 C 13 22.851 0.031 . 2 . 2274 . . 68 VAL CG2 . 18853 1 649 . 1 1 68 68 VAL N N 15 118.171 0.04 . 1 . 289 . . 68 VAL N . 18853 1 650 . 1 1 69 69 LYS H H 1 7.897 0.008 . 1 . 616 . . 69 LYS H . 18853 1 651 . 1 1 69 69 LYS HA H 1 4.027 0.006 . 1 . 2065 . . 69 LYS HA . 18853 1 652 . 1 1 69 69 LYS HB2 H 1 2.076 0.004 . 2 . 2064 . . 69 LYS HB2 . 18853 1 653 . 1 1 69 69 LYS HB3 H 1 2.085 0.007 . 2 . 2518 . . 69 LYS HB3 . 18853 1 654 . 1 1 69 69 LYS HG2 H 1 1.526 0.004 . 2 . 2513 . . 69 LYS HG2 . 18853 1 655 . 1 1 69 69 LYS HG3 H 1 1.620 0.003 . 2 . 2514 . . 69 LYS HG3 . 18853 1 656 . 1 1 69 69 LYS HD2 H 1 1.720 0.007 . 2 . 2515 . . 69 LYS HD2 . 18853 1 657 . 1 1 69 69 LYS HD3 H 1 1.729 0.009 . 2 . 2516 . . 69 LYS HD3 . 18853 1 658 . 1 1 69 69 LYS HE2 H 1 3.006 0.005 . 2 . 2063 . . 69 LYS HE2 . 18853 1 659 . 1 1 69 69 LYS HE3 H 1 2.987 0.005 . 2 . 2517 . . 69 LYS HE3 . 18853 1 660 . 1 1 69 69 LYS C C 13 178.724 0.1 . 1 . 695 . . 69 LYS C . 18853 1 661 . 1 1 69 69 LYS CA C 13 60.243 0.071 . 1 . 1396 . . 69 LYS CA . 18853 1 662 . 1 1 69 69 LYS CB C 13 32.915 0.075 . 1 . 1397 . . 69 LYS CB . 18853 1 663 . 1 1 69 69 LYS CG C 13 25.772 0.041 . 1 . 1400 . . 69 LYS CG . 18853 1 664 . 1 1 69 69 LYS CD C 13 29.881 0.011 . 1 . 1399 . . 69 LYS CD . 18853 1 665 . 1 1 69 69 LYS CE C 13 43.018 0.086 . 1 . 1398 . . 69 LYS CE . 18853 1 666 . 1 1 69 69 LYS N N 15 122.670 0.06 . 1 . 617 . . 69 LYS N . 18853 1 667 . 1 1 70 70 GLU H H 1 8.224 0.009 . 1 . 419 . . 70 GLU H . 18853 1 668 . 1 1 70 70 GLU HA H 1 4.192 0.005 . 1 . 2067 . . 70 GLU HA . 18853 1 669 . 1 1 70 70 GLU HB2 H 1 2.248 0.007 . 2 . 2061 . . 70 GLU HB2 . 18853 1 670 . 1 1 70 70 GLU HB3 H 1 2.086 0.007 . 2 . 2060 . . 70 GLU HB3 . 18853 1 671 . 1 1 70 70 GLU HG2 H 1 2.446 0.005 . 2 . 2062 . . 70 GLU HG2 . 18853 1 672 . 1 1 70 70 GLU HG3 H 1 2.672 0.004 . 2 . 2066 . . 70 GLU HG3 . 18853 1 673 . 1 1 70 70 GLU C C 13 176.711 0.1 . 1 . 705 . . 70 GLU C . 18853 1 674 . 1 1 70 70 GLU CA C 13 57.358 0.069 . 1 . 867 . . 70 GLU CA . 18853 1 675 . 1 1 70 70 GLU CB C 13 31.349 0.08 . 1 . 868 . . 70 GLU CB . 18853 1 676 . 1 1 70 70 GLU CG C 13 37.212 0.086 . 1 . 1211 . . 70 GLU CG . 18853 1 677 . 1 1 70 70 GLU N N 15 116.695 0.043 . 1 . 420 . . 70 GLU N . 18853 1 678 . 1 1 71 71 GLY H H 1 7.889 0.003 . 1 . 441 . . 71 GLY H . 18853 1 679 . 1 1 71 71 GLY HA2 H 1 3.907 0.007 . 2 . 2057 . . 71 GLY HA2 . 18853 1 680 . 1 1 71 71 GLY HA3 H 1 4.258 0.006 . 2 . 2058 . . 71 GLY HA3 . 18853 1 681 . 1 1 71 71 GLY C C 13 175.343 0.1 . 1 . 638 . . 71 GLY C . 18853 1 682 . 1 1 71 71 GLY CA C 13 46.723 0.081 . 1 . 875 . . 71 GLY CA . 18853 1 683 . 1 1 71 71 GLY N N 15 107.824 0.038 . 1 . 442 . . 71 GLY N . 18853 1 684 . 1 1 72 72 LYS H H 1 8.416 0.006 . 1 . 330 . . 72 LYS H . 18853 1 685 . 1 1 72 72 LYS HA H 1 4.648 0.004 . 1 . 2053 . . 72 LYS HA . 18853 1 686 . 1 1 72 72 LYS HB2 H 1 1.770 0.011 . 2 . 2055 . . 72 LYS HB2 . 18853 1 687 . 1 1 72 72 LYS HB3 H 1 1.961 0.014 . 2 . 2054 . . 72 LYS HB3 . 18853 1 688 . 1 1 72 72 LYS HG2 H 1 1.325 0.006 . 2 . 2511 . . 72 LYS HG2 . 18853 1 689 . 1 1 72 72 LYS HG3 H 1 1.312 0.008 . 2 . 2059 . . 72 LYS HG3 . 18853 1 690 . 1 1 72 72 LYS HD2 H 1 1.688 0.011 . 2 . 2510 . . 72 LYS HD2 . 18853 1 691 . 1 1 72 72 LYS HD3 H 1 1.671 0.009 . 2 . 2056 . . 72 LYS HD3 . 18853 1 692 . 1 1 72 72 LYS HE2 H 1 2.976 0.009 . 2 . 2052 . . 72 LYS HE2 . 18853 1 693 . 1 1 72 72 LYS HE3 H 1 3.015 0.008 . 2 . 2512 . . 72 LYS HE3 . 18853 1 694 . 1 1 72 72 LYS C C 13 176.759 0.016 . 1 . 538 . . 72 LYS C . 18853 1 695 . 1 1 72 72 LYS CA C 13 55.112 0.058 . 1 . 1152 . . 72 LYS CA . 18853 1 696 . 1 1 72 72 LYS CB C 13 31.984 0.074 . 1 . 807 . . 72 LYS CB . 18853 1 697 . 1 1 72 72 LYS CG C 13 25.867 0.082 . 1 . 1214 . . 72 LYS CG . 18853 1 698 . 1 1 72 72 LYS CD C 13 30.927 0.055 . 1 . 1213 . . 72 LYS CD . 18853 1 699 . 1 1 72 72 LYS CE C 13 43.711 0.072 . 1 . 1212 . . 72 LYS CE . 18853 1 700 . 1 1 72 72 LYS N N 15 124.996 0.044 . 1 . 331 . . 72 LYS N . 18853 1 701 . 1 1 73 73 THR H H 1 7.490 0.004 . 1 . 149 . . 73 THR H . 18853 1 702 . 1 1 73 73 THR HA H 1 3.390 0.007 . 1 . 2265 . . 73 THR HA . 18853 1 703 . 1 1 73 73 THR HB H 1 3.962 0.005 . 1 . 2051 . . 73 THR HB . 18853 1 704 . 1 1 73 73 THR HG21 H 1 1.077 0.005 . 1 . 2050 . . 73 THR HG21 . 18853 1 705 . 1 1 73 73 THR HG22 H 1 1.077 0.005 . 1 . 2050 . . 73 THR HG22 . 18853 1 706 . 1 1 73 73 THR HG23 H 1 1.077 0.005 . 1 . 2050 . . 73 THR HG23 . 18853 1 707 . 1 1 73 73 THR C C 13 175.978 0.1 . 1 . 573 . . 73 THR C . 18853 1 708 . 1 1 73 73 THR CA C 13 67.840 0.08 . 1 . 806 . . 73 THR CA . 18853 1 709 . 1 1 73 73 THR CB C 13 69.045 0.078 . 1 . 1150 . . 73 THR CB . 18853 1 710 . 1 1 73 73 THR CG2 C 13 24.611 0.058 . 1 . 1215 . . 73 THR CG2 . 18853 1 711 . 1 1 73 73 THR N N 15 114.786 0.03 . 1 . 150 . . 73 THR N . 18853 1 712 . 1 1 74 74 GLY H H 1 8.693 0.006 . 1 . 219 . . 74 GLY H . 18853 1 713 . 1 1 74 74 GLY HA2 H 1 3.863 0.008 . 2 . 2047 . . 74 GLY HA2 . 18853 1 714 . 1 1 74 74 GLY HA3 H 1 3.692 0.004 . 2 . 2048 . . 74 GLY HA3 . 18853 1 715 . 1 1 74 74 GLY C C 13 176.787 0.1 . 1 . 700 . . 74 GLY C . 18853 1 716 . 1 1 74 74 GLY CA C 13 48.359 0.102 . 1 . 893 . . 74 GLY CA . 18853 1 717 . 1 1 74 74 GLY N N 15 108.287 0.028 . 1 . 220 . . 74 GLY N . 18853 1 718 . 1 1 75 75 GLN H H 1 7.875 0.007 . 1 . 431 . . 75 GLN H . 18853 1 719 . 1 1 75 75 GLN HA H 1 4.069 0.005 . 1 . 2049 . . 75 GLN HA . 18853 1 720 . 1 1 75 75 GLN HB2 H 1 2.059 0.012 . 2 . 2045 . . 75 GLN HB2 . 18853 1 721 . 1 1 75 75 GLN HB3 H 1 2.084 0.007 . 2 . 2356 . . 75 GLN HB3 . 18853 1 722 . 1 1 75 75 GLN HG2 H 1 2.439 0.004 . 2 . 2357 . . 75 GLN HG2 . 18853 1 723 . 1 1 75 75 GLN HG3 H 1 2.432 0.006 . 2 . 2044 . . 75 GLN HG3 . 18853 1 724 . 1 1 75 75 GLN HE21 H 1 7.393 0.007 . 1 . 967 . . 75 GLN HE21 . 18853 1 725 . 1 1 75 75 GLN HE22 H 1 6.611 0.01 . 1 . 969 . . 75 GLN HE22 . 18853 1 726 . 1 1 75 75 GLN C C 13 178.347 0.014 . 1 . 575 . . 75 GLN C . 18853 1 727 . 1 1 75 75 GLN CA C 13 59.926 0.089 . 1 . 1149 . . 75 GLN CA . 18853 1 728 . 1 1 75 75 GLN CB C 13 29.850 0.04 . 1 . 1151 . . 75 GLN CB . 18853 1 729 . 1 1 75 75 GLN CG C 13 35.440 0.042 . 1 . 1216 . . 75 GLN CG . 18853 1 730 . 1 1 75 75 GLN CD C 13 179.496 0.013 . 1 . 2355 . . 75 GLN CD . 18853 1 731 . 1 1 75 75 GLN N N 15 122.209 0.046 . 1 . 432 . . 75 GLN N . 18853 1 732 . 1 1 75 75 GLN NE2 N 15 109.586 0.01 . 1 . 968 . . 75 GLN NE2 . 18853 1 733 . 1 1 76 76 ALA H H 1 8.069 0.009 . 1 . 223 . . 76 ALA H . 18853 1 734 . 1 1 76 76 ALA HA H 1 3.924 0.009 . 1 . 2046 . . 76 ALA HA . 18853 1 735 . 1 1 76 76 ALA HB1 H 1 1.503 0.005 . 1 . 2042 . . 76 ALA HB1 . 18853 1 736 . 1 1 76 76 ALA HB2 H 1 1.503 0.005 . 1 . 2042 . . 76 ALA HB2 . 18853 1 737 . 1 1 76 76 ALA HB3 H 1 1.503 0.005 . 1 . 2042 . . 76 ALA HB3 . 18853 1 738 . 1 1 76 76 ALA C C 13 178.999 0.002 . 1 . 732 . . 76 ALA C . 18853 1 739 . 1 1 76 76 ALA CA C 13 56.605 0.079 . 1 . 1148 . . 76 ALA CA . 18853 1 740 . 1 1 76 76 ALA CB C 13 20.012 0.075 . 1 . 1147 . . 76 ALA CB . 18853 1 741 . 1 1 76 76 ALA N N 15 122.218 0.042 . 1 . 224 . . 76 ALA N . 18853 1 742 . 1 1 77 77 VAL H H 1 8.326 0.009 . 1 . 730 . . 77 VAL H . 18853 1 743 . 1 1 77 77 VAL HA H 1 3.404 0.009 . 1 . 2040 . . 77 VAL HA . 18853 1 744 . 1 1 77 77 VAL HB H 1 2.101 0.01 . 1 . 2041 . . 77 VAL HB . 18853 1 745 . 1 1 77 77 VAL HG11 H 1 0.893 0.007 . 2 . 2039 . . 77 VAL HG11 . 18853 1 746 . 1 1 77 77 VAL HG12 H 1 0.893 0.007 . 2 . 2039 . . 77 VAL HG12 . 18853 1 747 . 1 1 77 77 VAL HG13 H 1 0.893 0.007 . 2 . 2039 . . 77 VAL HG13 . 18853 1 748 . 1 1 77 77 VAL HG21 H 1 0.924 0.012 . 2 . 2043 . . 77 VAL HG21 . 18853 1 749 . 1 1 77 77 VAL HG22 H 1 0.924 0.012 . 2 . 2043 . . 77 VAL HG22 . 18853 1 750 . 1 1 77 77 VAL HG23 H 1 0.924 0.012 . 2 . 2043 . . 77 VAL HG23 . 18853 1 751 . 1 1 77 77 VAL C C 13 177.625 0.1 . 1 . 717 . . 77 VAL C . 18853 1 752 . 1 1 77 77 VAL CA C 13 67.891 0.074 . 1 . 1145 . . 77 VAL CA . 18853 1 753 . 1 1 77 77 VAL CB C 13 32.904 0.072 . 1 . 1146 . . 77 VAL CB . 18853 1 754 . 1 1 77 77 VAL CG1 C 13 22.112 0.033 . 2 . 1218 . . 77 VAL CG1 . 18853 1 755 . 1 1 77 77 VAL CG2 C 13 24.746 0.05 . 2 . 1217 . . 77 VAL CG2 . 18853 1 756 . 1 1 77 77 VAL N N 15 117.880 0.044 . 1 . 731 . . 77 VAL N . 18853 1 757 . 1 1 78 78 GLU H H 1 7.539 0.01 . 1 . 715 . . 78 GLU H . 18853 1 758 . 1 1 78 78 GLU HA H 1 4.030 0.009 . 1 . 2038 . . 78 GLU HA . 18853 1 759 . 1 1 78 78 GLU HB2 H 1 2.082 0.008 . 2 . 2035 . . 78 GLU HB2 . 18853 1 760 . 1 1 78 78 GLU HB3 H 1 2.088 0.009 . 2 . 2445 . . 78 GLU HB3 . 18853 1 761 . 1 1 78 78 GLU HG2 H 1 2.234 0.005 . 2 . 2037 . . 78 GLU HG2 . 18853 1 762 . 1 1 78 78 GLU HG3 H 1 2.379 0.005 . 2 . 2036 . . 78 GLU HG3 . 18853 1 763 . 1 1 78 78 GLU C C 13 178.968 0.1 . 1 . 493 . . 78 GLU C . 18853 1 764 . 1 1 78 78 GLU CA C 13 60.520 0.059 . 1 . 1143 . . 78 GLU CA . 18853 1 765 . 1 1 78 78 GLU CB C 13 30.024 0.101 . 1 . 1142 . . 78 GLU CB . 18853 1 766 . 1 1 78 78 GLU CG C 13 36.360 0.073 . 1 . 1219 . . 78 GLU CG . 18853 1 767 . 1 1 78 78 GLU N N 15 118.870 0.033 . 1 . 716 . . 78 GLU N . 18853 1 768 . 1 1 79 79 LEU H H 1 7.737 0.005 . 1 . 63 . . 79 LEU H . 18853 1 769 . 1 1 79 79 LEU HA H 1 4.092 0.01 . 1 . 2034 . . 79 LEU HA . 18853 1 770 . 1 1 79 79 LEU HB2 H 1 1.566 0.01 . 2 . 2425 . . 79 LEU HB2 . 18853 1 771 . 1 1 79 79 LEU HB3 H 1 1.666 0.008 . 2 . 2031 . . 79 LEU HB3 . 18853 1 772 . 1 1 79 79 LEU HG H 1 1.561 0.006 . 1 . 2030 . . 79 LEU HG . 18853 1 773 . 1 1 79 79 LEU HD11 H 1 0.878 0.008 . 2 . 2291 . . 79 LEU HD11 . 18853 1 774 . 1 1 79 79 LEU HD12 H 1 0.878 0.008 . 2 . 2291 . . 79 LEU HD12 . 18853 1 775 . 1 1 79 79 LEU HD13 H 1 0.878 0.008 . 2 . 2291 . . 79 LEU HD13 . 18853 1 776 . 1 1 79 79 LEU HD21 H 1 0.865 0.009 . 2 . 2029 . . 79 LEU HD21 . 18853 1 777 . 1 1 79 79 LEU HD22 H 1 0.865 0.009 . 2 . 2029 . . 79 LEU HD22 . 18853 1 778 . 1 1 79 79 LEU HD23 H 1 0.865 0.009 . 2 . 2029 . . 79 LEU HD23 . 18853 1 779 . 1 1 79 79 LEU C C 13 179.901 0.1 . 1 . 668 . . 79 LEU C . 18853 1 780 . 1 1 79 79 LEU CA C 13 58.443 0.068 . 1 . 1016 . . 79 LEU CA . 18853 1 781 . 1 1 79 79 LEU CB C 13 43.460 0.053 . 1 . 1144 . . 79 LEU CB . 18853 1 782 . 1 1 79 79 LEU CG C 13 28.468 0.037 . 1 . 1220 . . 79 LEU CG . 18853 1 783 . 1 1 79 79 LEU CD1 C 13 25.364 0.05 . 2 . 1221 . . 79 LEU CD1 . 18853 1 784 . 1 1 79 79 LEU CD2 C 13 26.931 0.018 . 2 . 1222 . . 79 LEU CD2 . 18853 1 785 . 1 1 79 79 LEU N N 15 118.491 0.039 . 1 . 64 . . 79 LEU N . 18853 1 786 . 1 1 80 80 PHE H H 1 8.879 0.005 . 1 . 387 . . 80 PHE H . 18853 1 787 . 1 1 80 80 PHE HA H 1 3.960 0.011 . 1 . 2033 . . 80 PHE HA . 18853 1 788 . 1 1 80 80 PHE HB2 H 1 3.411 0.005 . 2 . 2032 . . 80 PHE HB2 . 18853 1 789 . 1 1 80 80 PHE HB3 H 1 2.960 0.006 . 2 . 2615 . . 80 PHE HB3 . 18853 1 790 . 1 1 80 80 PHE HD1 H 1 7.049 0.006 . 3 . 2616 . . 80 PHE HD1 . 18853 1 791 . 1 1 80 80 PHE HD2 H 1 7.049 0.006 . 3 . 2616 . . 80 PHE HD2 . 18853 1 792 . 1 1 80 80 PHE HE1 H 1 7.401 0.005 . 3 . 2618 . . 80 PHE HE1 . 18853 1 793 . 1 1 80 80 PHE HE2 H 1 7.401 0.005 . 3 . 2618 . . 80 PHE HE2 . 18853 1 794 . 1 1 80 80 PHE HZ H 1 7.206 0.005 . 1 . 2768 . . 80 PHE HZ . 18853 1 795 . 1 1 80 80 PHE C C 13 178.452 0.1 . 1 . 649 . . 80 PHE C . 18853 1 796 . 1 1 80 80 PHE CA C 13 62.463 0.086 . 1 . 844 . . 80 PHE CA . 18853 1 797 . 1 1 80 80 PHE CB C 13 40.718 0.066 . 1 . 845 . . 80 PHE CB . 18853 1 798 . 1 1 80 80 PHE CD1 C 13 132.513 0.103 . 3 . 2617 . . 80 PHE CD1 . 18853 1 799 . 1 1 80 80 PHE CD2 C 13 132.513 0.103 . 3 . 2617 . . 80 PHE CD2 . 18853 1 800 . 1 1 80 80 PHE CE1 C 13 132.428 0.091 . 3 . 2619 . . 80 PHE CE1 . 18853 1 801 . 1 1 80 80 PHE CE2 C 13 132.428 0.091 . 3 . 2619 . . 80 PHE CE2 . 18853 1 802 . 1 1 80 80 PHE CZ C 13 130.971 0.093 . 1 . 2769 . . 80 PHE CZ . 18853 1 803 . 1 1 80 80 PHE N N 15 123.774 0.034 . 1 . 388 . . 80 PHE N . 18853 1 804 . 1 1 81 81 ASN H H 1 8.513 0.007 . 1 . 353 . . 81 ASN H . 18853 1 805 . 1 1 81 81 ASN HA H 1 4.536 0.008 . 1 . 2026 . . 81 ASN HA . 18853 1 806 . 1 1 81 81 ASN HB2 H 1 2.952 0.011 . 2 . 2027 . . 81 ASN HB2 . 18853 1 807 . 1 1 81 81 ASN HB3 H 1 2.969 0.01 . 2 . 2322 . . 81 ASN HB3 . 18853 1 808 . 1 1 81 81 ASN C C 13 175.778 0.046 . 1 . 498 . . 81 ASN C . 18853 1 809 . 1 1 81 81 ASN CA C 13 55.716 0.116 . 1 . 823 . . 81 ASN CA . 18853 1 810 . 1 1 81 81 ASN CB C 13 38.904 0.067 . 1 . 824 . . 81 ASN CB . 18853 1 811 . 1 1 81 81 ASN N N 15 118.606 0.044 . 1 . 354 . . 81 ASN N . 18853 1 812 . 1 1 82 82 GLN H H 1 7.218 0.003 . 1 . 73 . . 82 GLN H . 18853 1 813 . 1 1 82 82 GLN HA H 1 4.340 0.004 . 1 . 2016 . . 82 GLN HA . 18853 1 814 . 1 1 82 82 GLN HB2 H 1 2.345 0.014 . 2 . 2018 . . 82 GLN HB2 . 18853 1 815 . 1 1 82 82 GLN HB3 H 1 1.826 0.008 . 2 . 2028 . . 82 GLN HB3 . 18853 1 816 . 1 1 82 82 GLN HG2 H 1 2.354 0.012 . 2 . 2470 . . 82 GLN HG2 . 18853 1 817 . 1 1 82 82 GLN HG3 H 1 2.556 0.004 . 2 . 2017 . . 82 GLN HG3 . 18853 1 818 . 1 1 82 82 GLN C C 13 176.510 0.001 . 1 . 559 . . 82 GLN C . 18853 1 819 . 1 1 82 82 GLN CA C 13 56.023 0.047 . 1 . 1139 . . 82 GLN CA . 18853 1 820 . 1 1 82 82 GLN CB C 13 30.250 0.056 . 1 . 1138 . . 82 GLN CB . 18853 1 821 . 1 1 82 82 GLN CG C 13 34.834 0.082 . 1 . 1223 . . 82 GLN CG . 18853 1 822 . 1 1 82 82 GLN N N 15 116.371 0.048 . 1 . 74 . . 82 GLN N . 18853 1 823 . 1 1 83 83 LEU H H 1 7.239 0.009 . 1 . 191 . . 83 LEU H . 18853 1 824 . 1 1 83 83 LEU HA H 1 4.193 0.006 . 1 . 2290 . . 83 LEU HA . 18853 1 825 . 1 1 83 83 LEU HB2 H 1 1.031 0.013 . 2 . 2021 . . 83 LEU HB2 . 18853 1 826 . 1 1 83 83 LEU HB3 H 1 1.568 0.013 . 2 . 2022 . . 83 LEU HB3 . 18853 1 827 . 1 1 83 83 LEU HG H 1 1.718 0.007 . 1 . 2023 . . 83 LEU HG . 18853 1 828 . 1 1 83 83 LEU HD11 H 1 0.407 0.002 . 2 . 2019 . . 83 LEU HD11 . 18853 1 829 . 1 1 83 83 LEU HD12 H 1 0.407 0.002 . 2 . 2019 . . 83 LEU HD12 . 18853 1 830 . 1 1 83 83 LEU HD13 H 1 0.407 0.002 . 2 . 2019 . . 83 LEU HD13 . 18853 1 831 . 1 1 83 83 LEU HD21 H 1 0.658 0.011 . 2 . 2020 . . 83 LEU HD21 . 18853 1 832 . 1 1 83 83 LEU HD22 H 1 0.658 0.011 . 2 . 2020 . . 83 LEU HD22 . 18853 1 833 . 1 1 83 83 LEU HD23 H 1 0.658 0.011 . 2 . 2020 . . 83 LEU HD23 . 18853 1 834 . 1 1 83 83 LEU CA C 13 55.034 0.041 . 1 . 1140 . . 83 LEU CA . 18853 1 835 . 1 1 83 83 LEU CB C 13 42.708 0.072 . 1 . 1141 . . 83 LEU CB . 18853 1 836 . 1 1 83 83 LEU CD1 C 13 26.809 0.017 . 2 . 2024 . . 83 LEU CD1 . 18853 1 837 . 1 1 83 83 LEU CD2 C 13 24.709 0.025 . 2 . 2025 . . 83 LEU CD2 . 18853 1 838 . 1 1 83 83 LEU N N 15 124.430 0.042 . 1 . 192 . . 83 LEU N . 18853 1 839 . 1 1 84 84 PRO HA H 1 4.426 0.008 . 1 . 2008 . . 84 PRO HA . 18853 1 840 . 1 1 84 84 PRO HB2 H 1 1.885 0.004 . 2 . 2651 . . 84 PRO HB2 . 18853 1 841 . 1 1 84 84 PRO HB3 H 1 2.367 0.009 . 2 . 2010 . . 84 PRO HB3 . 18853 1 842 . 1 1 84 84 PRO HG2 H 1 2.027 0.004 . 2 . 2012 . . 84 PRO HG2 . 18853 1 843 . 1 1 84 84 PRO HG3 H 1 1.896 0.007 . 2 . 2009 . . 84 PRO HG3 . 18853 1 844 . 1 1 84 84 PRO HD2 H 1 3.203 0.007 . 2 . 2650 . . 84 PRO HD2 . 18853 1 845 . 1 1 84 84 PRO HD3 H 1 3.899 0.008 . 2 . 2011 . . 84 PRO HD3 . 18853 1 846 . 1 1 84 84 PRO C C 13 175.437 0.015 . 1 . 572 . . 84 PRO C . 18853 1 847 . 1 1 84 84 PRO CA C 13 63.280 0.078 . 1 . 1066 . . 84 PRO CA . 18853 1 848 . 1 1 84 84 PRO CB C 13 33.188 0.062 . 1 . 1067 . . 84 PRO CB . 18853 1 849 . 1 1 84 84 PRO CG C 13 28.330 0.054 . 1 . 1225 . . 84 PRO CG . 18853 1 850 . 1 1 84 84 PRO CD C 13 51.212 0.083 . 1 . 1224 . . 84 PRO CD . 18853 1 851 . 1 1 85 85 GLN H H 1 8.190 0.007 . 1 . 217 . . 85 GLN H . 18853 1 852 . 1 1 85 85 GLN HA H 1 3.978 0.011 . 1 . 2003 . . 85 GLN HA . 18853 1 853 . 1 1 85 85 GLN HB2 H 1 2.038 0.007 . 2 . 2005 . . 85 GLN HB2 . 18853 1 854 . 1 1 85 85 GLN HB3 H 1 1.925 0.007 . 2 . 2013 . . 85 GLN HB3 . 18853 1 855 . 1 1 85 85 GLN HG2 H 1 2.356 0.007 . 2 . 2469 . . 85 GLN HG2 . 18853 1 856 . 1 1 85 85 GLN HG3 H 1 2.365 0.007 . 2 . 2004 . . 85 GLN HG3 . 18853 1 857 . 1 1 85 85 GLN C C 13 177.193 0.018 . 1 . 568 . . 85 GLN C . 18853 1 858 . 1 1 85 85 GLN CA C 13 58.523 0.039 . 1 . 1064 . . 85 GLN CA . 18853 1 859 . 1 1 85 85 GLN CB C 13 30.128 0.069 . 1 . 1065 . . 85 GLN CB . 18853 1 860 . 1 1 85 85 GLN CG C 13 35.030 0.055 . 1 . 1226 . . 85 GLN CG . 18853 1 861 . 1 1 85 85 GLN N N 15 116.967 0.042 . 1 . 218 . . 85 GLN N . 18853 1 862 . 1 1 86 86 GLU H H 1 7.667 0.008 . 1 . 209 . . 86 GLU H . 18853 1 863 . 1 1 86 86 GLU HA H 1 4.361 0.006 . 1 . 2007 . . 86 GLU HA . 18853 1 864 . 1 1 86 86 GLU HB2 H 1 1.909 0.006 . 2 . 2006 . . 86 GLU HB2 . 18853 1 865 . 1 1 86 86 GLU HB3 H 1 1.927 0.011 . 2 . 2316 . . 86 GLU HB3 . 18853 1 866 . 1 1 86 86 GLU HG2 H 1 2.174 0.005 . 2 . 2002 . . 86 GLU HG2 . 18853 1 867 . 1 1 86 86 GLU HG3 H 1 2.240 0.007 . 2 . 2001 . . 86 GLU HG3 . 18853 1 868 . 1 1 86 86 GLU C C 13 173.762 0.012 . 1 . 525 . . 86 GLU C . 18853 1 869 . 1 1 86 86 GLU CA C 13 57.067 0.063 . 1 . 1062 . . 86 GLU CA . 18853 1 870 . 1 1 86 86 GLU CB C 13 29.190 0.056 . 1 . 1063 . . 86 GLU CB . 18853 1 871 . 1 1 86 86 GLU CG C 13 36.133 0.066 . 1 . 1227 . . 86 GLU CG . 18853 1 872 . 1 1 86 86 GLU N N 15 118.829 0.042 . 1 . 210 . . 86 GLU N . 18853 1 873 . 1 1 87 87 LEU H H 1 7.401 0.007 . 1 . 137 . . 87 LEU H . 18853 1 874 . 1 1 87 87 LEU HA H 1 4.632 0.007 . 1 . 2000 . . 87 LEU HA . 18853 1 875 . 1 1 87 87 LEU HB2 H 1 1.445 0.013 . 2 . 1996 . . 87 LEU HB2 . 18853 1 876 . 1 1 87 87 LEU HB3 H 1 1.579 0.008 . 2 . 1997 . . 87 LEU HB3 . 18853 1 877 . 1 1 87 87 LEU HG H 1 1.503 0.005 . 1 . 2710 . . 87 LEU HG . 18853 1 878 . 1 1 87 87 LEU HD11 H 1 0.678 0.01 . 2 . 2424 . . 87 LEU HD11 . 18853 1 879 . 1 1 87 87 LEU HD12 H 1 0.678 0.01 . 2 . 2424 . . 87 LEU HD12 . 18853 1 880 . 1 1 87 87 LEU HD13 H 1 0.678 0.01 . 2 . 2424 . . 87 LEU HD13 . 18853 1 881 . 1 1 87 87 LEU HD21 H 1 0.709 0.013 . 2 . 1998 . . 87 LEU HD21 . 18853 1 882 . 1 1 87 87 LEU HD22 H 1 0.709 0.013 . 2 . 1998 . . 87 LEU HD22 . 18853 1 883 . 1 1 87 87 LEU HD23 H 1 0.709 0.013 . 2 . 1998 . . 87 LEU HD23 . 18853 1 884 . 1 1 87 87 LEU C C 13 176.978 0.005 . 1 . 670 . . 87 LEU C . 18853 1 885 . 1 1 87 87 LEU CA C 13 54.058 0.081 . 1 . 1061 . . 87 LEU CA . 18853 1 886 . 1 1 87 87 LEU CB C 13 46.498 0.086 . 1 . 1228 . . 87 LEU CB . 18853 1 887 . 1 1 87 87 LEU CG C 13 27.254 0.037 . 1 . 2711 . . 87 LEU CG . 18853 1 888 . 1 1 87 87 LEU CD1 C 13 27.942 0.055 . 2 . 1338 . . 87 LEU CD1 . 18853 1 889 . 1 1 87 87 LEU CD2 C 13 24.892 0.047 . 2 . 1339 . . 87 LEU CD2 . 18853 1 890 . 1 1 87 87 LEU N N 15 123.745 0.037 . 1 . 138 . . 87 LEU N . 18853 1 891 . 1 1 88 88 ASN H H 1 8.402 0.005 . 1 . 391 . . 88 ASN H . 18853 1 892 . 1 1 88 88 ASN HA H 1 4.725 0.004 . 1 . 1999 . . 88 ASN HA . 18853 1 893 . 1 1 88 88 ASN HB2 H 1 3.279 0.006 . 2 . 1994 . . 88 ASN HB2 . 18853 1 894 . 1 1 88 88 ASN HB3 H 1 2.799 0.013 . 2 . 1995 . . 88 ASN HB3 . 18853 1 895 . 1 1 88 88 ASN C C 13 175.376 0.008 . 1 . 479 . . 88 ASN C . 18853 1 896 . 1 1 88 88 ASN CA C 13 52.738 0.075 . 1 . 846 . . 88 ASN CA . 18853 1 897 . 1 1 88 88 ASN CB C 13 38.792 0.06 . 1 . 847 . . 88 ASN CB . 18853 1 898 . 1 1 88 88 ASN N N 15 119.483 0.033 . 1 . 392 . . 88 ASN N . 18853 1 899 . 1 1 89 89 ASP H H 1 8.276 0.007 . 1 . 43 . . 89 ASP H . 18853 1 900 . 1 1 89 89 ASP HA H 1 4.201 0.004 . 1 . 1993 . . 89 ASP HA . 18853 1 901 . 1 1 89 89 ASP HB2 H 1 2.602 0.006 . 2 . 2310 . . 89 ASP HB2 . 18853 1 902 . 1 1 89 89 ASP HB3 H 1 2.598 0.005 . 2 . 1992 . . 89 ASP HB3 . 18853 1 903 . 1 1 89 89 ASP C C 13 178.005 0.006 . 1 . 672 . . 89 ASP C . 18853 1 904 . 1 1 89 89 ASP CA C 13 59.579 0.079 . 1 . 1060 . . 89 ASP CA . 18853 1 905 . 1 1 89 89 ASP CB C 13 41.688 0.073 . 1 . 1059 . . 89 ASP CB . 18853 1 906 . 1 1 89 89 ASP N N 15 116.983 0.045 . 1 . 44 . . 89 ASP N . 18853 1 907 . 1 1 90 90 ALA H H 1 8.016 0.007 . 1 . 673 . . 90 ALA H . 18853 1 908 . 1 1 90 90 ALA HA H 1 4.070 0.008 . 1 . 2243 . . 90 ALA HA . 18853 1 909 . 1 1 90 90 ALA HB1 H 1 1.420 0.005 . 1 . 1991 . . 90 ALA HB1 . 18853 1 910 . 1 1 90 90 ALA HB2 H 1 1.420 0.005 . 1 . 1991 . . 90 ALA HB2 . 18853 1 911 . 1 1 90 90 ALA HB3 H 1 1.420 0.005 . 1 . 1991 . . 90 ALA HB3 . 18853 1 912 . 1 1 90 90 ALA C C 13 181.450 0.024 . 1 . 605 . . 90 ALA C . 18853 1 913 . 1 1 90 90 ALA CA C 13 56.393 0.028 . 1 . 1104 . . 90 ALA CA . 18853 1 914 . 1 1 90 90 ALA CB C 13 19.073 0.053 . 1 . 1103 . . 90 ALA CB . 18853 1 915 . 1 1 90 90 ALA N N 15 122.548 0.045 . 1 . 674 . . 90 ALA N . 18853 1 916 . 1 1 91 91 GLN H H 1 8.554 0.011 . 1 . 606 . . 91 GLN H . 18853 1 917 . 1 1 91 91 GLN HA H 1 3.793 0.006 . 1 . 2468 . . 91 GLN HA . 18853 1 918 . 1 1 91 91 GLN HG3 H 1 2.716 0.007 . 1 . 2716 . . 91 GLN HG3 . 18853 1 919 . 1 1 91 91 GLN HE21 H 1 6.300 0.003 . 1 . 2771 . . 91 GLN HE21 . 18853 1 920 . 1 1 91 91 GLN HE22 H 1 7.191 0.008 . 1 . 2776 . . 91 GLN HE22 . 18853 1 921 . 1 1 91 91 GLN C C 13 178.203 0.004 . 1 . 472 . . 91 GLN C . 18853 1 922 . 1 1 91 91 GLN CA C 13 59.140 0.076 . 1 . 836 . . 91 GLN CA . 18853 1 923 . 1 1 91 91 GLN CB C 13 29.839 0.009 . 1 . 1461 . . 91 GLN CB . 18853 1 924 . 1 1 91 91 GLN CG C 13 34.391 0.082 . 1 . 1462 . . 91 GLN CG . 18853 1 925 . 1 1 91 91 GLN CD C 13 178.685 0.042 . 1 . 2778 . . 91 GLN CD . 18853 1 926 . 1 1 91 91 GLN N N 15 119.213 0.043 . 1 . 607 . . 91 GLN N . 18853 1 927 . 1 1 91 91 GLN NE2 N 15 108.622 0.009 . 1 . 2777 . . 91 GLN NE2 . 18853 1 928 . 1 1 92 92 ARG H H 1 8.817 0.005 . 1 . 31 . . 92 ARG H . 18853 1 929 . 1 1 92 92 ARG HA H 1 3.794 0.004 . 1 . 1984 . . 92 ARG HA . 18853 1 930 . 1 1 92 92 ARG HB2 H 1 1.881 0.005 . 2 . 2540 . . 92 ARG HB2 . 18853 1 931 . 1 1 92 92 ARG HB3 H 1 1.879 0.005 . 2 . 1982 . . 92 ARG HB3 . 18853 1 932 . 1 1 92 92 ARG HG2 H 1 1.696 0.006 . 2 . 2537 . . 92 ARG HG2 . 18853 1 933 . 1 1 92 92 ARG HG3 H 1 1.546 0.014 . 2 . 1986 . . 92 ARG HG3 . 18853 1 934 . 1 1 92 92 ARG HD2 H 1 3.236 0.014 . 2 . 1987 . . 92 ARG HD2 . 18853 1 935 . 1 1 92 92 ARG HD3 H 1 3.207 0.02 . 2 . 2539 . . 92 ARG HD3 . 18853 1 936 . 1 1 92 92 ARG C C 13 179.253 0.1 . 1 . 689 . . 92 ARG C . 18853 1 937 . 1 1 92 92 ARG CA C 13 61.064 0.054 . 1 . 1376 . . 92 ARG CA . 18853 1 938 . 1 1 92 92 ARG CB C 13 31.012 0.058 . 1 . 1375 . . 92 ARG CB . 18853 1 939 . 1 1 92 92 ARG CG C 13 29.558 0.041 . 1 . 1497 . . 92 ARG CG . 18853 1 940 . 1 1 92 92 ARG CD C 13 44.240 0.067 . 1 . 1460 . . 92 ARG CD . 18853 1 941 . 1 1 92 92 ARG N N 15 119.827 0.039 . 1 . 32 . . 92 ARG N . 18853 1 942 . 1 1 93 93 ARG H H 1 7.879 0.006 . 1 . 413 . . 93 ARG H . 18853 1 943 . 1 1 93 93 ARG HA H 1 4.001 0.011 . 1 . 1981 . . 93 ARG HA . 18853 1 944 . 1 1 93 93 ARG HB2 H 1 2.033 0.007 . 2 . 1985 . . 93 ARG HB2 . 18853 1 945 . 1 1 93 93 ARG HB3 H 1 1.741 0.009 . 2 . 1979 . . 93 ARG HB3 . 18853 1 946 . 1 1 93 93 ARG HG2 H 1 1.879 0.005 . 2 . 2536 . . 93 ARG HG2 . 18853 1 947 . 1 1 93 93 ARG HG3 H 1 1.599 0.006 . 2 . 2535 . . 93 ARG HG3 . 18853 1 948 . 1 1 93 93 ARG HD2 H 1 3.135 0.004 . 2 . 2534 . . 93 ARG HD2 . 18853 1 949 . 1 1 93 93 ARG HD3 H 1 3.271 0.005 . 2 . 1983 . . 93 ARG HD3 . 18853 1 950 . 1 1 93 93 ARG HE H 1 7.369 0.002 . 1 . 265 . . 93 ARG HE . 18853 1 951 . 1 1 93 93 ARG C C 13 177.491 0.1 . 1 . 1437 . . 93 ARG C . 18853 1 952 . 1 1 93 93 ARG CA C 13 61.122 0.084 . 1 . 859 . . 93 ARG CA . 18853 1 953 . 1 1 93 93 ARG CB C 13 31.546 0.032 . 1 . 1458 . . 93 ARG CB . 18853 1 954 . 1 1 93 93 ARG CG C 13 29.553 0.035 . 1 . 2538 . . 93 ARG CG . 18853 1 955 . 1 1 93 93 ARG CD C 13 45.192 0.065 . 1 . 1459 . . 93 ARG CD . 18853 1 956 . 1 1 93 93 ARG CZ C 13 159.683 0.1 . 1 . 600 . . 93 ARG CZ . 18853 1 957 . 1 1 93 93 ARG N N 15 120.319 0.037 . 1 . 414 . . 93 ARG N . 18853 1 958 . 1 1 93 93 ARG NE N 15 85.341 0.019 . 1 . 266 . . 93 ARG NE . 18853 1 959 . 1 1 94 94 GLU H H 1 7.563 0.01 . 1 . 1435 . . 94 GLU H . 18853 1 960 . 1 1 94 94 GLU C C 13 177.752 0.1 . 1 . 632 . . 94 GLU C . 18853 1 961 . 1 1 94 94 GLU CA C 13 59.788 0.057 . 1 . 1429 . . 94 GLU CA . 18853 1 962 . 1 1 94 94 GLU CB C 13 29.766 0.047 . 1 . 1430 . . 94 GLU CB . 18853 1 963 . 1 1 94 94 GLU CG C 13 36.528 0.027 . 1 . 1431 . . 94 GLU CG . 18853 1 964 . 1 1 94 94 GLU N N 15 118.978 0.101 . 1 . 1436 . . 94 GLU N . 18853 1 965 . 1 1 95 95 LYS H H 1 8.643 0.006 . 1 . 318 . . 95 LYS H . 18853 1 966 . 1 1 95 95 LYS HA H 1 3.791 0.007 . 1 . 1971 . . 95 LYS HA . 18853 1 967 . 1 1 95 95 LYS HB2 H 1 2.033 0.016 . 2 . 1972 . . 95 LYS HB2 . 18853 1 968 . 1 1 95 95 LYS HB3 H 1 1.636 0.005 . 2 . 1975 . . 95 LYS HB3 . 18853 1 969 . 1 1 95 95 LYS HG3 H 1 1.068 0.007 . 1 . 1974 . . 95 LYS HG3 . 18853 1 970 . 1 1 95 95 LYS HD2 H 1 1.325 0.005 . 2 . 1973 . . 95 LYS HD2 . 18853 1 971 . 1 1 95 95 LYS HD3 H 1 1.450 0.003 . 2 . 2693 . . 95 LYS HD3 . 18853 1 972 . 1 1 95 95 LYS HE2 H 1 2.636 0.007 . 2 . 2685 . . 95 LYS HE2 . 18853 1 973 . 1 1 95 95 LYS HE3 H 1 2.442 0.003 . 2 . 2687 . . 95 LYS HE3 . 18853 1 974 . 1 1 95 95 LYS C C 13 177.585 0.1 . 1 . 524 . . 95 LYS C . 18853 1 975 . 1 1 95 95 LYS CA C 13 61.781 0.132 . 1 . 1229 . . 95 LYS CA . 18853 1 976 . 1 1 95 95 LYS CB C 13 33.580 0.08 . 1 . 1174 . . 95 LYS CB . 18853 1 977 . 1 1 95 95 LYS CD C 13 31.379 0.065 . 1 . 2692 . . 95 LYS CD . 18853 1 978 . 1 1 95 95 LYS CE C 13 43.125 0.04 . 1 . 2686 . . 95 LYS CE . 18853 1 979 . 1 1 95 95 LYS N N 15 119.461 0.026 . 1 . 319 . . 95 LYS N . 18853 1 980 . 1 1 96 96 THR H H 1 7.937 0.01 . 1 . 135 . . 96 THR H . 18853 1 981 . 1 1 96 96 THR HA H 1 3.943 0.014 . 1 . 1967 . . 96 THR HA . 18853 1 982 . 1 1 96 96 THR HB H 1 4.255 0.008 . 1 . 1968 . . 96 THR HB . 18853 1 983 . 1 1 96 96 THR HG21 H 1 1.210 0.008 . 1 . 1966 . . 96 THR HG21 . 18853 1 984 . 1 1 96 96 THR HG22 H 1 1.210 0.008 . 1 . 1966 . . 96 THR HG22 . 18853 1 985 . 1 1 96 96 THR HG23 H 1 1.210 0.008 . 1 . 1966 . . 96 THR HG23 . 18853 1 986 . 1 1 96 96 THR C C 13 175.660 0.1 . 1 . 532 . . 96 THR C . 18853 1 987 . 1 1 96 96 THR CA C 13 67.803 0.064 . 1 . 1166 . . 96 THR CA . 18853 1 988 . 1 1 96 96 THR CB C 13 69.694 0.093 . 1 . 1230 . . 96 THR CB . 18853 1 989 . 1 1 96 96 THR CG2 C 13 22.962 0.055 . 1 . 1231 . . 96 THR CG2 . 18853 1 990 . 1 1 96 96 THR N N 15 113.616 0.031 . 1 . 136 . . 96 THR N . 18853 1 991 . 1 1 97 97 LEU H H 1 7.415 0.007 . 1 . 143 . . 97 LEU H . 18853 1 992 . 1 1 97 97 LEU HA H 1 3.963 0.006 . 1 . 1958 . . 97 LEU HA . 18853 1 993 . 1 1 97 97 LEU HB2 H 1 1.554 0.007 . 2 . 1969 . . 97 LEU HB2 . 18853 1 994 . 1 1 97 97 LEU HB3 H 1 1.688 0.008 . 2 . 1970 . . 97 LEU HB3 . 18853 1 995 . 1 1 97 97 LEU HD11 H 1 0.793 0.005 . 2 . 2422 . . 97 LEU HD11 . 18853 1 996 . 1 1 97 97 LEU HD12 H 1 0.793 0.005 . 2 . 2422 . . 97 LEU HD12 . 18853 1 997 . 1 1 97 97 LEU HD13 H 1 0.793 0.005 . 2 . 2422 . . 97 LEU HD13 . 18853 1 998 . 1 1 97 97 LEU HD21 H 1 0.812 0.008 . 2 . 1961 . . 97 LEU HD21 . 18853 1 999 . 1 1 97 97 LEU HD22 H 1 0.812 0.008 . 2 . 1961 . . 97 LEU HD22 . 18853 1 1000 . 1 1 97 97 LEU HD23 H 1 0.812 0.008 . 2 . 1961 . . 97 LEU HD23 . 18853 1 1001 . 1 1 97 97 LEU C C 13 178.748 0.006 . 1 . 580 . . 97 LEU C . 18853 1 1002 . 1 1 97 97 LEU CA C 13 58.781 0.078 . 1 . 1173 . . 97 LEU CA . 18853 1 1003 . 1 1 97 97 LEU CB C 13 43.306 0.059 . 1 . 803 . . 97 LEU CB . 18853 1 1004 . 1 1 97 97 LEU CD1 C 13 24.558 0.019 . 2 . 1232 . . 97 LEU CD1 . 18853 1 1005 . 1 1 97 97 LEU CD2 C 13 25.628 0.058 . 2 . 1233 . . 97 LEU CD2 . 18853 1 1006 . 1 1 97 97 LEU N N 15 122.174 0.037 . 1 . 144 . . 97 LEU N . 18853 1 1007 . 1 1 98 98 LEU H H 1 8.729 0.006 . 1 . 233 . . 98 LEU H . 18853 1 1008 . 1 1 98 98 LEU HA H 1 4.199 0.008 . 1 . 2421 . . 98 LEU HA . 18853 1 1009 . 1 1 98 98 LEU HB2 H 1 1.308 0.009 . 2 . 1959 . . 98 LEU HB2 . 18853 1 1010 . 1 1 98 98 LEU HB3 H 1 2.238 0.006 . 2 . 1962 . . 98 LEU HB3 . 18853 1 1011 . 1 1 98 98 LEU HG H 1 1.981 0.008 . 1 . 1963 . . 98 LEU HG . 18853 1 1012 . 1 1 98 98 LEU HD11 H 1 0.948 0.012 . 2 . 1965 . . 98 LEU HD11 . 18853 1 1013 . 1 1 98 98 LEU HD12 H 1 0.948 0.012 . 2 . 1965 . . 98 LEU HD12 . 18853 1 1014 . 1 1 98 98 LEU HD13 H 1 0.948 0.012 . 2 . 1965 . . 98 LEU HD13 . 18853 1 1015 . 1 1 98 98 LEU HD21 H 1 1.068 0.005 . 2 . 1964 . . 98 LEU HD21 . 18853 1 1016 . 1 1 98 98 LEU HD22 H 1 1.068 0.005 . 2 . 1964 . . 98 LEU HD22 . 18853 1 1017 . 1 1 98 98 LEU HD23 H 1 1.068 0.005 . 2 . 1964 . . 98 LEU HD23 . 18853 1 1018 . 1 1 98 98 LEU C C 13 178.729 0.1 . 1 . 466 . . 98 LEU C . 18853 1 1019 . 1 1 98 98 LEU CA C 13 58.434 0.074 . 1 . 1127 . . 98 LEU CA . 18853 1 1020 . 1 1 98 98 LEU CB C 13 43.383 0.071 . 1 . 1126 . . 98 LEU CB . 18853 1 1021 . 1 1 98 98 LEU CD1 C 13 23.565 0.05 . 2 . 1234 . . 98 LEU CD1 . 18853 1 1022 . 1 1 98 98 LEU CD2 C 13 28.680 0.032 . 2 . 2420 . . 98 LEU CD2 . 18853 1 1023 . 1 1 98 98 LEU N N 15 119.694 0.025 . 1 . 234 . . 98 LEU N . 18853 1 1024 . 1 1 99 99 ALA H H 1 8.341 0.009 . 1 . 19 . . 99 ALA H . 18853 1 1025 . 1 1 99 99 ALA HA H 1 3.437 0.007 . 1 . 1960 . . 99 ALA HA . 18853 1 1026 . 1 1 99 99 ALA HB1 H 1 1.545 0.004 . 1 . 1954 . . 99 ALA HB1 . 18853 1 1027 . 1 1 99 99 ALA HB2 H 1 1.545 0.004 . 1 . 1954 . . 99 ALA HB2 . 18853 1 1028 . 1 1 99 99 ALA HB3 H 1 1.545 0.004 . 1 . 1954 . . 99 ALA HB3 . 18853 1 1029 . 1 1 99 99 ALA C C 13 180.561 0.1 . 1 . 608 . . 99 ALA C . 18853 1 1030 . 1 1 99 99 ALA CA C 13 56.222 0.079 . 1 . 906 . . 99 ALA CA . 18853 1 1031 . 1 1 99 99 ALA CB C 13 19.390 0.079 . 1 . 905 . . 99 ALA CB . 18853 1 1032 . 1 1 99 99 ALA N N 15 120.390 0.042 . 1 . 20 . . 99 ALA N . 18853 1 1033 . 1 1 100 100 VAL H H 1 7.375 0.011 . 1 . 275 . . 100 VAL H . 18853 1 1034 . 1 1 100 100 VAL HA H 1 3.262 0.007 . 1 . 1956 . . 100 VAL HA . 18853 1 1035 . 1 1 100 100 VAL HB H 1 2.498 0.004 . 1 . 1955 . . 100 VAL HB . 18853 1 1036 . 1 1 100 100 VAL HG11 H 1 0.800 0.01 . 2 . 1951 . . 100 VAL HG11 . 18853 1 1037 . 1 1 100 100 VAL HG12 H 1 0.800 0.01 . 2 . 1951 . . 100 VAL HG12 . 18853 1 1038 . 1 1 100 100 VAL HG13 H 1 0.800 0.01 . 2 . 1951 . . 100 VAL HG13 . 18853 1 1039 . 1 1 100 100 VAL HG21 H 1 1.061 0.006 . 2 . 1952 . . 100 VAL HG21 . 18853 1 1040 . 1 1 100 100 VAL HG22 H 1 1.061 0.006 . 2 . 1952 . . 100 VAL HG22 . 18853 1 1041 . 1 1 100 100 VAL HG23 H 1 1.061 0.006 . 2 . 1952 . . 100 VAL HG23 . 18853 1 1042 . 1 1 100 100 VAL C C 13 177.208 0.1 . 1 . 464 . . 100 VAL C . 18853 1 1043 . 1 1 100 100 VAL CA C 13 67.971 0.081 . 1 . 1172 . . 100 VAL CA . 18853 1 1044 . 1 1 100 100 VAL CB C 13 32.658 0.094 . 1 . 1171 . . 100 VAL CB . 18853 1 1045 . 1 1 100 100 VAL CG1 C 13 22.848 0.039 . 2 . 2271 . . 100 VAL CG1 . 18853 1 1046 . 1 1 100 100 VAL CG2 C 13 24.137 0.019 . 2 . 1957 . . 100 VAL CG2 . 18853 1 1047 . 1 1 100 100 VAL N N 15 117.035 0.057 . 1 . 276 . . 100 VAL N . 18853 1 1048 . 1 1 101 101 GLU H H 1 7.976 0.009 . 1 . 462 . . 101 GLU H . 18853 1 1049 . 1 1 101 101 GLU HA H 1 3.746 0.013 . 1 . 2443 . . 101 GLU HA . 18853 1 1050 . 1 1 101 101 GLU HG2 H 1 2.426 0.011 . 2 . 1953 . . 101 GLU HG2 . 18853 1 1051 . 1 1 101 101 GLU HG3 H 1 2.203 0.005 . 2 . 2444 . . 101 GLU HG3 . 18853 1 1052 . 1 1 101 101 GLU C C 13 180.087 0.1 . 1 . 495 . . 101 GLU C . 18853 1 1053 . 1 1 101 101 GLU CA C 13 61.203 0.06 . 1 . 1167 . . 101 GLU CA . 18853 1 1054 . 1 1 101 101 GLU CB C 13 29.879 0.006 . 1 . 1168 . . 101 GLU CB . 18853 1 1055 . 1 1 101 101 GLU CG C 13 37.651 0.092 . 1 . 1236 . . 101 GLU CG . 18853 1 1056 . 1 1 101 101 GLU N N 15 119.733 0.036 . 1 . 463 . . 101 GLU N . 18853 1 1057 . 1 1 102 102 ILE H H 1 8.829 0.005 . 1 . 67 . . 102 ILE H . 18853 1 1058 . 1 1 102 102 ILE HA H 1 3.372 0.011 . 1 . 1947 . . 102 ILE HA . 18853 1 1059 . 1 1 102 102 ILE HB H 1 1.463 0.009 . 1 . 1949 . . 102 ILE HB . 18853 1 1060 . 1 1 102 102 ILE HG12 H 1 1.578 0.011 . 2 . 1948 . . 102 ILE HG12 . 18853 1 1061 . 1 1 102 102 ILE HG13 H 1 0.451 0.011 . 2 . 2388 . . 102 ILE HG13 . 18853 1 1062 . 1 1 102 102 ILE HG21 H 1 0.479 0.006 . 1 . 1946 . . 102 ILE HG21 . 18853 1 1063 . 1 1 102 102 ILE HG22 H 1 0.479 0.006 . 1 . 1946 . . 102 ILE HG22 . 18853 1 1064 . 1 1 102 102 ILE HG23 H 1 0.479 0.006 . 1 . 1946 . . 102 ILE HG23 . 18853 1 1065 . 1 1 102 102 ILE HD11 H 1 0.177 0.003 . 1 . 1945 . . 102 ILE HD11 . 18853 1 1066 . 1 1 102 102 ILE HD12 H 1 0.177 0.003 . 1 . 1945 . . 102 ILE HD12 . 18853 1 1067 . 1 1 102 102 ILE HD13 H 1 0.177 0.003 . 1 . 1945 . . 102 ILE HD13 . 18853 1 1068 . 1 1 102 102 ILE C C 13 176.545 0.1 . 1 . 594 . . 102 ILE C . 18853 1 1069 . 1 1 102 102 ILE CA C 13 67.170 0.083 . 1 . 1169 . . 102 ILE CA . 18853 1 1070 . 1 1 102 102 ILE CB C 13 38.886 0.12 . 1 . 1170 . . 102 ILE CB . 18853 1 1071 . 1 1 102 102 ILE CG1 C 13 31.799 0.064 . 1 . 2387 . . 102 ILE CG1 . 18853 1 1072 . 1 1 102 102 ILE CG2 C 13 18.350 0.04 . 1 . 2386 . . 102 ILE CG2 . 18853 1 1073 . 1 1 102 102 ILE CD1 C 13 14.101 0.052 . 1 . 1950 . . 102 ILE CD1 . 18853 1 1074 . 1 1 102 102 ILE N N 15 121.250 0.053 . 1 . 68 . . 102 ILE N . 18853 1 1075 . 1 1 103 103 LYS H H 1 7.465 0.014 . 1 . 259 . . 103 LYS H . 18853 1 1076 . 1 1 103 103 LYS HA H 1 4.052 0.007 . 1 . 2680 . . 103 LYS HA . 18853 1 1077 . 1 1 103 103 LYS HG2 H 1 1.325 0.002 . 2 . 2681 . . 103 LYS HG2 . 18853 1 1078 . 1 1 103 103 LYS HG3 H 1 1.526 0.004 . 2 . 2678 . . 103 LYS HG3 . 18853 1 1079 . 1 1 103 103 LYS HD2 H 1 1.404 0.004 . 2 . 2721 . . 103 LYS HD2 . 18853 1 1080 . 1 1 103 103 LYS HD3 H 1 1.577 0.006 . 2 . 2719 . . 103 LYS HD3 . 18853 1 1081 . 1 1 103 103 LYS HE2 H 1 2.889 0.004 . 2 . 2724 . . 103 LYS HE2 . 18853 1 1082 . 1 1 103 103 LYS HE3 H 1 2.815 0.002 . 2 . 2722 . . 103 LYS HE3 . 18853 1 1083 . 1 1 103 103 LYS C C 13 179.695 0.1 . 1 . 515 . . 103 LYS C . 18853 1 1084 . 1 1 103 103 LYS CA C 13 60.490 0.082 . 1 . 1237 . . 103 LYS CA . 18853 1 1085 . 1 1 103 103 LYS CB C 13 32.606 0.089 . 1 . 787 . . 103 LYS CB . 18853 1 1086 . 1 1 103 103 LYS CG C 13 27.135 0.045 . 1 . 2679 . . 103 LYS CG . 18853 1 1087 . 1 1 103 103 LYS CD C 13 29.777 0.026 . 1 . 2720 . . 103 LYS CD . 18853 1 1088 . 1 1 103 103 LYS CE C 13 43.271 0.076 . 1 . 2723 . . 103 LYS CE . 18853 1 1089 . 1 1 103 103 LYS N N 15 118.717 0.056 . 1 . 260 . . 103 LYS N . 18853 1 1090 . 1 1 104 104 LEU H H 1 8.265 0.008 . 1 . 113 . . 104 LEU H . 18853 1 1091 . 1 1 104 104 LEU HA H 1 3.503 0.004 . 1 . 2417 . . 104 LEU HA . 18853 1 1092 . 1 1 104 104 LEU HB2 H 1 1.883 0.007 . 2 . 1940 . . 104 LEU HB2 . 18853 1 1093 . 1 1 104 104 LEU HB3 H 1 1.410 0.006 . 2 . 1944 . . 104 LEU HB3 . 18853 1 1094 . 1 1 104 104 LEU HG H 1 1.697 0.004 . 1 . 1943 . . 104 LEU HG . 18853 1 1095 . 1 1 104 104 LEU HD11 H 1 1.010 0.005 . 2 . 1941 . . 104 LEU HD11 . 18853 1 1096 . 1 1 104 104 LEU HD12 H 1 1.010 0.005 . 2 . 1941 . . 104 LEU HD12 . 18853 1 1097 . 1 1 104 104 LEU HD13 H 1 1.010 0.005 . 2 . 1941 . . 104 LEU HD13 . 18853 1 1098 . 1 1 104 104 LEU HD21 H 1 0.763 0.009 . 2 . 1942 . . 104 LEU HD21 . 18853 1 1099 . 1 1 104 104 LEU HD22 H 1 0.763 0.009 . 2 . 1942 . . 104 LEU HD22 . 18853 1 1100 . 1 1 104 104 LEU HD23 H 1 0.763 0.009 . 2 . 1942 . . 104 LEU HD23 . 18853 1 1101 . 1 1 104 104 LEU C C 13 180.767 0.1 . 1 . 720 . . 104 LEU C . 18853 1 1102 . 1 1 104 104 LEU CA C 13 59.066 0.076 . 1 . 785 . . 104 LEU CA . 18853 1 1103 . 1 1 104 104 LEU CB C 13 42.310 0.083 . 1 . 786 . . 104 LEU CB . 18853 1 1104 . 1 1 104 104 LEU CD1 C 13 27.607 0.032 . 2 . 2419 . . 104 LEU CD1 . 18853 1 1105 . 1 1 104 104 LEU CD2 C 13 24.398 0.025 . 2 . 2418 . . 104 LEU CD2 . 18853 1 1106 . 1 1 104 104 LEU N N 15 118.301 0.035 . 1 . 114 . . 104 LEU N . 18853 1 1107 . 1 1 105 105 ALA H H 1 7.833 0.004 . 1 . 718 . . 105 ALA H . 18853 1 1108 . 1 1 105 105 ALA HA H 1 4.090 0.007 . 1 . 1938 . . 105 ALA HA . 18853 1 1109 . 1 1 105 105 ALA HB1 H 1 1.492 0.007 . 1 . 1937 . . 105 ALA HB1 . 18853 1 1110 . 1 1 105 105 ALA HB2 H 1 1.492 0.007 . 1 . 1937 . . 105 ALA HB2 . 18853 1 1111 . 1 1 105 105 ALA HB3 H 1 1.492 0.007 . 1 . 1937 . . 105 ALA HB3 . 18853 1 1112 . 1 1 105 105 ALA C C 13 179.594 0.1 . 1 . 486 . . 105 ALA C . 18853 1 1113 . 1 1 105 105 ALA CA C 13 55.828 0.093 . 1 . 888 . . 105 ALA CA . 18853 1 1114 . 1 1 105 105 ALA CB C 13 19.568 0.043 . 1 . 887 . . 105 ALA CB . 18853 1 1115 . 1 1 105 105 ALA N N 15 125.031 0.039 . 1 . 719 . . 105 ALA N . 18853 1 1116 . 1 1 106 106 GLN H H 1 7.642 0.008 . 1 . 53 . . 106 GLN H . 18853 1 1117 . 1 1 106 106 GLN HA H 1 4.110 0.007 . 1 . 1931 . . 106 GLN HA . 18853 1 1118 . 1 1 106 106 GLN HB2 H 1 2.084 0.009 . 2 . 2466 . . 106 GLN HB2 . 18853 1 1119 . 1 1 106 106 GLN HB3 H 1 2.089 0.008 . 2 . 2465 . . 106 GLN HB3 . 18853 1 1120 . 1 1 106 106 GLN HG2 H 1 2.107 0.007 . 2 . 1932 . . 106 GLN HG2 . 18853 1 1121 . 1 1 106 106 GLN HG3 H 1 2.438 0.006 . 2 . 1939 . . 106 GLN HG3 . 18853 1 1122 . 1 1 106 106 GLN HE21 H 1 6.491 0.01 . 1 . 975 . . 106 GLN HE21 . 18853 1 1123 . 1 1 106 106 GLN HE22 H 1 7.012 0.015 . 1 . 973 . . 106 GLN HE22 . 18853 1 1124 . 1 1 106 106 GLN C C 13 174.867 0.1 . 1 . 640 . . 106 GLN C . 18853 1 1125 . 1 1 106 106 GLN CA C 13 56.871 0.067 . 1 . 764 . . 106 GLN CA . 18853 1 1126 . 1 1 106 106 GLN CB C 13 29.986 0.091 . 1 . 765 . . 106 GLN CB . 18853 1 1127 . 1 1 106 106 GLN CG C 13 35.222 0.081 . 1 . 1238 . . 106 GLN CG . 18853 1 1128 . 1 1 106 106 GLN CD C 13 180.061 0.001 . 1 . 2467 . . 106 GLN CD . 18853 1 1129 . 1 1 106 106 GLN N N 15 115.431 0.029 . 1 . 54 . . 106 GLN N . 18853 1 1130 . 1 1 106 106 GLN NE2 N 15 110.055 0.0 . 1 . 974 . . 106 GLN NE2 . 18853 1 1131 . 1 1 107 107 LYS H H 1 7.697 0.011 . 1 . 334 . . 107 LYS H . 18853 1 1132 . 1 1 107 107 LYS HA H 1 2.781 0.004 . 1 . 1927 . . 107 LYS HA . 18853 1 1133 . 1 1 107 107 LYS HB2 H 1 1.876 0.005 . 2 . 1933 . . 107 LYS HB2 . 18853 1 1134 . 1 1 107 107 LYS HB3 H 1 2.094 0.007 . 2 . 2509 . . 107 LYS HB3 . 18853 1 1135 . 1 1 107 107 LYS HG2 H 1 1.218 0.004 . 2 . 1936 . . 107 LYS HG2 . 18853 1 1136 . 1 1 107 107 LYS HG3 H 1 1.364 0.009 . 2 . 1935 . . 107 LYS HG3 . 18853 1 1137 . 1 1 107 107 LYS HD2 H 1 1.696 0.011 . 2 . 1934 . . 107 LYS HD2 . 18853 1 1138 . 1 1 107 107 LYS HD3 H 1 1.743 0.004 . 2 . 1928 . . 107 LYS HD3 . 18853 1 1139 . 1 1 107 107 LYS HE2 H 1 3.054 0.004 . 2 . 1926 . . 107 LYS HE2 . 18853 1 1140 . 1 1 107 107 LYS HE3 H 1 3.051 0.008 . 2 . 2508 . . 107 LYS HE3 . 18853 1 1141 . 1 1 107 107 LYS C C 13 174.293 0.013 . 1 . 658 . . 107 LYS C . 18853 1 1142 . 1 1 107 107 LYS CA C 13 57.837 0.066 . 1 . 1175 . . 107 LYS CA . 18853 1 1143 . 1 1 107 107 LYS CB C 13 29.161 0.074 . 1 . 1176 . . 107 LYS CB . 18853 1 1144 . 1 1 107 107 LYS CG C 13 25.960 0.068 . 1 . 1239 . . 107 LYS CG . 18853 1 1145 . 1 1 107 107 LYS CD C 13 29.935 0.056 . 1 . 1240 . . 107 LYS CD . 18853 1 1146 . 1 1 107 107 LYS CE C 13 43.566 0.053 . 1 . 1241 . . 107 LYS CE . 18853 1 1147 . 1 1 107 107 LYS N N 15 113.890 0.032 . 1 . 335 . . 107 LYS N . 18853 1 1148 . 1 1 108 108 ASP H H 1 8.037 0.005 . 1 . 365 . . 108 ASP H . 18853 1 1149 . 1 1 108 108 ASP HA H 1 4.807 0.007 . 1 . 1924 . . 108 ASP HA . 18853 1 1150 . 1 1 108 108 ASP HB2 H 1 2.309 0.007 . 2 . 1930 . . 108 ASP HB2 . 18853 1 1151 . 1 1 108 108 ASP HB3 H 1 2.689 0.009 . 2 . 1929 . . 108 ASP HB3 . 18853 1 1152 . 1 1 108 108 ASP C C 13 176.274 0.1 . 1 . 609 . . 108 ASP C . 18853 1 1153 . 1 1 108 108 ASP CA C 13 51.914 0.067 . 1 . 828 . . 108 ASP CA . 18853 1 1154 . 1 1 108 108 ASP CB C 13 39.834 0.075 . 1 . 829 . . 108 ASP CB . 18853 1 1155 . 1 1 108 108 ASP N N 15 118.782 0.035 . 1 . 366 . . 108 ASP N . 18853 1 1156 . 1 1 109 109 PHE H H 1 7.166 0.008 . 1 . 277 . . 109 PHE H . 18853 1 1157 . 1 1 109 109 PHE HA H 1 3.925 0.005 . 1 . 1925 . . 109 PHE HA . 18853 1 1158 . 1 1 109 109 PHE HB2 H 1 2.872 0.006 . 2 . 1923 . . 109 PHE HB2 . 18853 1 1159 . 1 1 109 109 PHE HB3 H 1 3.296 0.007 . 2 . 1922 . . 109 PHE HB3 . 18853 1 1160 . 1 1 109 109 PHE HD1 H 1 7.143 0.005 . 3 . 2624 . . 109 PHE HD1 . 18853 1 1161 . 1 1 109 109 PHE HD2 H 1 7.143 0.005 . 3 . 2624 . . 109 PHE HD2 . 18853 1 1162 . 1 1 109 109 PHE HE1 H 1 7.316 0.005 . 3 . 2767 . . 109 PHE HE1 . 18853 1 1163 . 1 1 109 109 PHE HE2 H 1 7.316 0.005 . 3 . 2767 . . 109 PHE HE2 . 18853 1 1164 . 1 1 109 109 PHE C C 13 178.124 0.1 . 1 . 544 . . 109 PHE C . 18853 1 1165 . 1 1 109 109 PHE CA C 13 63.164 0.093 . 1 . 811 . . 109 PHE CA . 18853 1 1166 . 1 1 109 109 PHE CB C 13 39.357 0.094 . 1 . 813 . . 109 PHE CB . 18853 1 1167 . 1 1 109 109 PHE CD1 C 13 132.338 0.082 . 3 . 2625 . . 109 PHE CD1 . 18853 1 1168 . 1 1 109 109 PHE CD2 C 13 132.338 0.082 . 3 . 2625 . . 109 PHE CD2 . 18853 1 1169 . 1 1 109 109 PHE CE1 C 13 132.364 0.108 . 3 . 2770 . . 109 PHE CE1 . 18853 1 1170 . 1 1 109 109 PHE CE2 C 13 132.364 0.108 . 3 . 2770 . . 109 PHE CE2 . 18853 1 1171 . 1 1 109 109 PHE N N 15 121.115 0.045 . 1 . 278 . . 109 PHE N . 18853 1 1172 . 1 1 110 110 ALA H H 1 8.587 0.009 . 1 . 161 . . 110 ALA H . 18853 1 1173 . 1 1 110 110 ALA HA H 1 4.155 0.011 . 1 . 1919 . . 110 ALA HA . 18853 1 1174 . 1 1 110 110 ALA HB1 H 1 1.445 0.006 . 1 . 1918 . . 110 ALA HB1 . 18853 1 1175 . 1 1 110 110 ALA HB2 H 1 1.445 0.006 . 1 . 1918 . . 110 ALA HB2 . 18853 1 1176 . 1 1 110 110 ALA HB3 H 1 1.445 0.006 . 1 . 1918 . . 110 ALA HB3 . 18853 1 1177 . 1 1 110 110 ALA C C 13 180.739 0.1 . 1 . 587 . . 110 ALA C . 18853 1 1178 . 1 1 110 110 ALA CA C 13 56.108 0.101 . 1 . 812 . . 110 ALA CA . 18853 1 1179 . 1 1 110 110 ALA CB C 13 19.046 0.085 . 1 . 814 . . 110 ALA CB . 18853 1 1180 . 1 1 110 110 ALA N N 15 122.167 0.039 . 1 . 162 . . 110 ALA N . 18853 1 1181 . 1 1 111 111 GLY H H 1 8.200 0.006 . 1 . 247 . . 111 GLY H . 18853 1 1182 . 1 1 111 111 GLY HA2 H 1 3.816 0.008 . 2 . 1921 . . 111 GLY HA2 . 18853 1 1183 . 1 1 111 111 GLY HA3 H 1 3.652 0.007 . 2 . 1920 . . 111 GLY HA3 . 18853 1 1184 . 1 1 111 111 GLY C C 13 176.966 0.005 . 1 . 619 . . 111 GLY C . 18853 1 1185 . 1 1 111 111 GLY CA C 13 48.257 0.1 . 1 . 1105 . . 111 GLY CA . 18853 1 1186 . 1 1 111 111 GLY N N 15 107.967 0.026 . 1 . 248 . . 111 GLY N . 18853 1 1187 . 1 1 112 112 ALA H H 1 8.181 0.007 . 1 . 290 . . 112 ALA H . 18853 1 1188 . 1 1 112 112 ALA HA H 1 3.888 0.008 . 1 . 1917 . . 112 ALA HA . 18853 1 1189 . 1 1 112 112 ALA HB1 H 1 1.415 0.009 . 1 . 1916 . . 112 ALA HB1 . 18853 1 1190 . 1 1 112 112 ALA HB2 H 1 1.415 0.009 . 1 . 1916 . . 112 ALA HB2 . 18853 1 1191 . 1 1 112 112 ALA HB3 H 1 1.415 0.009 . 1 . 1916 . . 112 ALA HB3 . 18853 1 1192 . 1 1 112 112 ALA C C 13 179.005 0.01 . 1 . 622 . . 112 ALA C . 18853 1 1193 . 1 1 112 112 ALA CA C 13 56.737 0.069 . 1 . 1106 . . 112 ALA CA . 18853 1 1194 . 1 1 112 112 ALA CB C 13 19.490 0.075 . 1 . 1107 . . 112 ALA CB . 18853 1 1195 . 1 1 112 112 ALA N N 15 123.483 0.043 . 1 . 291 . . 112 ALA N . 18853 1 1196 . 1 1 113 113 GLN H H 1 8.299 0.006 . 1 . 296 . . 113 GLN H . 18853 1 1197 . 1 1 113 113 GLN HA H 1 3.923 0.008 . 1 . 1912 . . 113 GLN HA . 18853 1 1198 . 1 1 113 113 GLN HB2 H 1 2.088 0.006 . 2 . 2360 . . 113 GLN HB2 . 18853 1 1199 . 1 1 113 113 GLN HB3 H 1 2.239 0.009 . 2 . 2359 . . 113 GLN HB3 . 18853 1 1200 . 1 1 113 113 GLN HG2 H 1 2.305 0.01 . 2 . 1913 . . 113 GLN HG2 . 18853 1 1201 . 1 1 113 113 GLN HG3 H 1 2.565 0.005 . 2 . 1914 . . 113 GLN HG3 . 18853 1 1202 . 1 1 113 113 GLN HE21 H 1 6.621 0.009 . 1 . 2358 . . 113 GLN HE21 . 18853 1 1203 . 1 1 113 113 GLN HE22 H 1 6.972 0.006 . 1 . 986 . . 113 GLN HE22 . 18853 1 1204 . 1 1 113 113 GLN C C 13 178.761 0.1 . 1 . 473 . . 113 GLN C . 18853 1 1205 . 1 1 113 113 GLN CA C 13 60.583 0.063 . 1 . 1156 . . 113 GLN CA . 18853 1 1206 . 1 1 113 113 GLN CB C 13 29.411 0.057 . 1 . 1157 . . 113 GLN CB . 18853 1 1207 . 1 1 113 113 GLN CG C 13 35.088 0.067 . 1 . 1242 . . 113 GLN CG . 18853 1 1208 . 1 1 113 113 GLN CD C 13 179.607 0.005 . 1 . 2361 . . 113 GLN CD . 18853 1 1209 . 1 1 113 113 GLN N N 15 116.275 0.052 . 1 . 297 . . 113 GLN N . 18853 1 1210 . 1 1 113 113 GLN NE2 N 15 109.565 0.016 . 1 . 987 . . 113 GLN NE2 . 18853 1 1211 . 1 1 114 114 ASN H H 1 7.878 0.008 . 1 . 33 . . 114 ASN H . 18853 1 1212 . 1 1 114 114 ASN HA H 1 4.402 0.009 . 1 . 1911 . . 114 ASN HA . 18853 1 1213 . 1 1 114 114 ASN HB2 H 1 2.869 0.006 . 2 . 1910 . . 114 ASN HB2 . 18853 1 1214 . 1 1 114 114 ASN HB3 H 1 2.794 0.006 . 2 . 1909 . . 114 ASN HB3 . 18853 1 1215 . 1 1 114 114 ASN HD21 H 1 7.430 0.007 . 1 . 944 . . 114 ASN HD21 . 18853 1 1216 . 1 1 114 114 ASN HD22 H 1 6.792 0.013 . 1 . 946 . . 114 ASN HD22 . 18853 1 1217 . 1 1 114 114 ASN C C 13 177.233 0.008 . 1 . 593 . . 114 ASN C . 18853 1 1218 . 1 1 114 114 ASN CA C 13 57.294 0.085 . 1 . 1158 . . 114 ASN CA . 18853 1 1219 . 1 1 114 114 ASN CB C 13 39.709 0.072 . 1 . 1159 . . 114 ASN CB . 18853 1 1220 . 1 1 114 114 ASN CG C 13 175.634 0.002 . 1 . 2326 . . 114 ASN CG . 18853 1 1221 . 1 1 114 114 ASN N N 15 117.904 0.026 . 1 . 34 . . 114 ASN N . 18853 1 1222 . 1 1 114 114 ASN ND2 N 15 111.884 0.085 . 1 . 945 . . 114 ASN ND2 . 18853 1 1223 . 1 1 115 115 LEU H H 1 7.439 0.01 . 1 . 596 . . 115 LEU H . 18853 1 1224 . 1 1 115 115 LEU HA H 1 4.074 0.009 . 1 . 1907 . . 115 LEU HA . 18853 1 1225 . 1 1 115 115 LEU HB2 H 1 1.801 0.003 . 2 . 2701 . . 115 LEU HB2 . 18853 1 1226 . 1 1 115 115 LEU HB3 H 1 1.411 0.01 . 2 . 2317 . . 115 LEU HB3 . 18853 1 1227 . 1 1 115 115 LEU HG H 1 1.739 0.007 . 1 . 1915 . . 115 LEU HG . 18853 1 1228 . 1 1 115 115 LEU HD11 H 1 0.757 0.006 . 2 . 2415 . . 115 LEU HD11 . 18853 1 1229 . 1 1 115 115 LEU HD12 H 1 0.757 0.006 . 2 . 2415 . . 115 LEU HD12 . 18853 1 1230 . 1 1 115 115 LEU HD13 H 1 0.757 0.006 . 2 . 2415 . . 115 LEU HD13 . 18853 1 1231 . 1 1 115 115 LEU HD21 H 1 0.826 0.005 . 2 . 2416 . . 115 LEU HD21 . 18853 1 1232 . 1 1 115 115 LEU HD22 H 1 0.826 0.005 . 2 . 2416 . . 115 LEU HD22 . 18853 1 1233 . 1 1 115 115 LEU HD23 H 1 0.826 0.005 . 2 . 2416 . . 115 LEU HD23 . 18853 1 1234 . 1 1 115 115 LEU C C 13 180.021 0.1 . 1 . 555 . . 115 LEU C . 18853 1 1235 . 1 1 115 115 LEU CA C 13 58.571 0.038 . 1 . 853 . . 115 LEU CA . 18853 1 1236 . 1 1 115 115 LEU CB C 13 44.060 0.077 . 1 . 854 . . 115 LEU CB . 18853 1 1237 . 1 1 115 115 LEU CG C 13 27.949 0.043 . 1 . 2702 . . 115 LEU CG . 18853 1 1238 . 1 1 115 115 LEU CD1 C 13 26.684 0.017 . 2 . 1243 . . 115 LEU CD1 . 18853 1 1239 . 1 1 115 115 LEU CD2 C 13 23.706 0.015 . 2 . 1244 . . 115 LEU CD2 . 18853 1 1240 . 1 1 115 115 LEU N N 15 118.665 0.051 . 1 . 597 . . 115 LEU N . 18853 1 1241 . 1 1 116 116 LEU H H 1 8.459 0.011 . 1 . 183 . . 116 LEU H . 18853 1 1242 . 1 1 116 116 LEU HA H 1 3.827 0.017 . 1 . 1905 . . 116 LEU HA . 18853 1 1243 . 1 1 116 116 LEU HB2 H 1 1.259 0.01 . 2 . 1903 . . 116 LEU HB2 . 18853 1 1244 . 1 1 116 116 LEU HB3 H 1 1.858 0.007 . 2 . 1908 . . 116 LEU HB3 . 18853 1 1245 . 1 1 116 116 LEU HG H 1 1.636 0.009 . 1 . 1904 . . 116 LEU HG . 18853 1 1246 . 1 1 116 116 LEU HD11 H 1 0.487 0.005 . 2 . 1906 . . 116 LEU HD11 . 18853 1 1247 . 1 1 116 116 LEU HD12 H 1 0.487 0.005 . 2 . 1906 . . 116 LEU HD12 . 18853 1 1248 . 1 1 116 116 LEU HD13 H 1 0.487 0.005 . 2 . 1906 . . 116 LEU HD13 . 18853 1 1249 . 1 1 116 116 LEU HD21 H 1 0.543 0.007 . 2 . 2288 . . 116 LEU HD21 . 18853 1 1250 . 1 1 116 116 LEU HD22 H 1 0.543 0.007 . 2 . 2288 . . 116 LEU HD22 . 18853 1 1251 . 1 1 116 116 LEU HD23 H 1 0.543 0.007 . 2 . 2288 . . 116 LEU HD23 . 18853 1 1252 . 1 1 116 116 LEU C C 13 178.873 0.027 . 1 . 1427 . . 116 LEU C . 18853 1 1253 . 1 1 116 116 LEU CA C 13 58.887 0.062 . 1 . 1245 . . 116 LEU CA . 18853 1 1254 . 1 1 116 116 LEU CB C 13 43.567 0.111 . 1 . 794 . . 116 LEU CB . 18853 1 1255 . 1 1 116 116 LEU CD1 C 13 25.626 0.021 . 2 . 2289 . . 116 LEU CD1 . 18853 1 1256 . 1 1 116 116 LEU CD2 C 13 25.382 0.023 . 2 . 1246 . . 116 LEU CD2 . 18853 1 1257 . 1 1 116 116 LEU N N 15 120.316 0.04 . 1 . 184 . . 116 LEU N . 18853 1 1258 . 1 1 117 117 ALA H H 1 7.361 0.006 . 1 . 119 . . 117 ALA H . 18853 1 1259 . 1 1 117 117 ALA HA H 1 4.192 0.005 . 1 . 1901 . . 117 ALA HA . 18853 1 1260 . 1 1 117 117 ALA HB1 H 1 1.491 0.005 . 1 . 1900 . . 117 ALA HB1 . 18853 1 1261 . 1 1 117 117 ALA HB2 H 1 1.491 0.005 . 1 . 1900 . . 117 ALA HB2 . 18853 1 1262 . 1 1 117 117 ALA HB3 H 1 1.491 0.005 . 1 . 1900 . . 117 ALA HB3 . 18853 1 1263 . 1 1 117 117 ALA C C 13 178.119 0.008 . 1 . 529 . . 117 ALA C . 18853 1 1264 . 1 1 117 117 ALA CA C 13 54.945 0.098 . 1 . 792 . . 117 ALA CA . 18853 1 1265 . 1 1 117 117 ALA CB C 13 19.472 0.059 . 1 . 793 . . 117 ALA CB . 18853 1 1266 . 1 1 117 117 ALA N N 15 118.643 0.029 . 1 . 120 . . 117 ALA N . 18853 1 1267 . 1 1 118 118 LYS H H 1 7.335 0.007 . 1 . 421 . . 118 LYS H . 18853 1 1268 . 1 1 118 118 LYS HA H 1 4.326 0.005 . 1 . 1893 . . 118 LYS HA . 18853 1 1269 . 1 1 118 118 LYS HB2 H 1 2.084 0.005 . 2 . 1902 . . 118 LYS HB2 . 18853 1 1270 . 1 1 118 118 LYS HB3 H 1 1.825 0.005 . 2 . 1895 . . 118 LYS HB3 . 18853 1 1271 . 1 1 118 118 LYS HG2 H 1 1.464 0.012 . 2 . 2505 . . 118 LYS HG2 . 18853 1 1272 . 1 1 118 118 LYS HG3 H 1 1.570 0.007 . 2 . 2506 . . 118 LYS HG3 . 18853 1 1273 . 1 1 118 118 LYS HD2 H 1 1.638 0.005 . 2 . 1896 . . 118 LYS HD2 . 18853 1 1274 . 1 1 118 118 LYS HD3 H 1 1.638 0.01 . 2 . 2504 . . 118 LYS HD3 . 18853 1 1275 . 1 1 118 118 LYS HE2 H 1 2.955 0.008 . 2 . 1894 . . 118 LYS HE2 . 18853 1 1276 . 1 1 118 118 LYS HE3 H 1 2.990 0.005 . 2 . 2507 . . 118 LYS HE3 . 18853 1 1277 . 1 1 118 118 LYS C C 13 176.044 0.018 . 1 . 503 . . 118 LYS C . 18853 1 1278 . 1 1 118 118 LYS CA C 13 56.669 0.048 . 1 . 774 . . 118 LYS CA . 18853 1 1279 . 1 1 118 118 LYS CB C 13 33.741 0.07 . 1 . 776 . . 118 LYS CB . 18853 1 1280 . 1 1 118 118 LYS CG C 13 25.918 0.058 . 1 . 1249 . . 118 LYS CG . 18853 1 1281 . 1 1 118 118 LYS CD C 13 29.789 0.077 . 1 . 1248 . . 118 LYS CD . 18853 1 1282 . 1 1 118 118 LYS CE C 13 43.208 0.044 . 1 . 1247 . . 118 LYS CE . 18853 1 1283 . 1 1 118 118 LYS N N 15 114.559 0.044 . 1 . 422 . . 118 LYS N . 18853 1 1284 . 1 1 119 119 ILE H H 1 7.425 0.007 . 1 . 85 . . 119 ILE H . 18853 1 1285 . 1 1 119 119 ILE HA H 1 4.118 0.006 . 1 . 2384 . . 119 ILE HA . 18853 1 1286 . 1 1 119 119 ILE HB H 1 1.833 0.006 . 1 . 2385 . . 119 ILE HB . 18853 1 1287 . 1 1 119 119 ILE HG13 H 1 0.923 0.004 . 1 . 2725 . . 119 ILE HG13 . 18853 1 1288 . 1 1 119 119 ILE HG21 H 1 0.578 0.008 . 1 . 1898 . . 119 ILE HG21 . 18853 1 1289 . 1 1 119 119 ILE HG22 H 1 0.578 0.008 . 1 . 1898 . . 119 ILE HG22 . 18853 1 1290 . 1 1 119 119 ILE HG23 H 1 0.578 0.008 . 1 . 1898 . . 119 ILE HG23 . 18853 1 1291 . 1 1 119 119 ILE HD11 H 1 0.776 0.007 . 1 . 1892 . . 119 ILE HD11 . 18853 1 1292 . 1 1 119 119 ILE HD12 H 1 0.776 0.007 . 1 . 1892 . . 119 ILE HD12 . 18853 1 1293 . 1 1 119 119 ILE HD13 H 1 0.776 0.007 . 1 . 1892 . . 119 ILE HD13 . 18853 1 1294 . 1 1 119 119 ILE C C 13 174.441 0.026 . 1 . 458 . . 119 ILE C . 18853 1 1295 . 1 1 119 119 ILE CA C 13 61.835 0.084 . 1 . 1161 . . 119 ILE CA . 18853 1 1296 . 1 1 119 119 ILE CB C 13 41.439 0.06 . 1 . 775 . . 119 ILE CB . 18853 1 1297 . 1 1 119 119 ILE CG1 C 13 27.837 0.048 . 1 . 1252 . . 119 ILE CG1 . 18853 1 1298 . 1 1 119 119 ILE CG2 C 13 18.798 0.06 . 1 . 1251 . . 119 ILE CG2 . 18853 1 1299 . 1 1 119 119 ILE CD1 C 13 15.383 0.064 . 1 . 1250 . . 119 ILE CD1 . 18853 1 1300 . 1 1 119 119 ILE N N 15 120.488 0.046 . 1 . 86 . . 119 ILE N . 18853 1 1301 . 1 1 120 120 THR H H 1 8.277 0.009 . 1 . 7 . . 120 THR H . 18853 1 1302 . 1 1 120 120 THR HA H 1 4.643 0.005 . 1 . 2674 . . 120 THR HA . 18853 1 1303 . 1 1 120 120 THR HB H 1 4.120 0.005 . 1 . 1889 . . 120 THR HB . 18853 1 1304 . 1 1 120 120 THR HG21 H 1 1.119 0.008 . 1 . 1890 . . 120 THR HG21 . 18853 1 1305 . 1 1 120 120 THR HG22 H 1 1.119 0.008 . 1 . 1890 . . 120 THR HG22 . 18853 1 1306 . 1 1 120 120 THR HG23 H 1 1.119 0.008 . 1 . 1890 . . 120 THR HG23 . 18853 1 1307 . 1 1 120 120 THR CA C 13 59.076 0.103 . 1 . 758 . . 120 THR CA . 18853 1 1308 . 1 1 120 120 THR CB C 13 70.489 0.035 . 1 . 1160 . . 120 THR CB . 18853 1 1309 . 1 1 120 120 THR CG2 C 13 22.601 0.068 . 1 . 1891 . . 120 THR CG2 . 18853 1 1310 . 1 1 120 120 THR N N 15 122.114 0.055 . 1 . 8 . . 120 THR N . 18853 1 1311 . 1 1 121 121 PRO HA H 1 3.446 0.006 . 1 . 1888 . . 121 PRO HA . 18853 1 1312 . 1 1 121 121 PRO HB2 H 1 1.694 0.005 . 2 . 1886 . . 121 PRO HB2 . 18853 1 1313 . 1 1 121 121 PRO HB3 H 1 1.091 0.01 . 2 . 2649 . . 121 PRO HB3 . 18853 1 1314 . 1 1 121 121 PRO HG2 H 1 1.308 0.003 . 2 . 1885 . . 121 PRO HG2 . 18853 1 1315 . 1 1 121 121 PRO HG3 H 1 1.925 0.005 . 2 . 1887 . . 121 PRO HG3 . 18853 1 1316 . 1 1 121 121 PRO HD2 H 1 3.193 0.003 . 2 . 2648 . . 121 PRO HD2 . 18853 1 1317 . 1 1 121 121 PRO HD3 H 1 3.817 0.006 . 2 . 2647 . . 121 PRO HD3 . 18853 1 1318 . 1 1 121 121 PRO C C 13 177.118 0.01 . 1 . 471 . . 121 PRO C . 18853 1 1319 . 1 1 121 121 PRO CA C 13 65.528 0.063 . 1 . 1097 . . 121 PRO CA . 18853 1 1320 . 1 1 121 121 PRO CB C 13 31.418 0.069 . 1 . 1098 . . 121 PRO CB . 18853 1 1321 . 1 1 121 121 PRO CG C 13 28.022 0.069 . 1 . 1254 . . 121 PRO CG . 18853 1 1322 . 1 1 121 121 PRO CD C 13 51.625 0.061 . 1 . 1253 . . 121 PRO CD . 18853 1 1323 . 1 1 122 122 ALA H H 1 7.497 0.012 . 1 . 29 . . 122 ALA H . 18853 1 1324 . 1 1 122 122 ALA HA H 1 4.040 0.005 . 1 . 1599 . . 122 ALA HA . 18853 1 1325 . 1 1 122 122 ALA HB1 H 1 1.305 0.003 . 1 . 1598 . . 122 ALA HB1 . 18853 1 1326 . 1 1 122 122 ALA HB2 H 1 1.305 0.003 . 1 . 1598 . . 122 ALA HB2 . 18853 1 1327 . 1 1 122 122 ALA HB3 H 1 1.305 0.003 . 1 . 1598 . . 122 ALA HB3 . 18853 1 1328 . 1 1 122 122 ALA C C 13 177.944 0.021 . 1 . 582 . . 122 ALA C . 18853 1 1329 . 1 1 122 122 ALA CA C 13 55.117 0.064 . 1 . 922 . . 122 ALA CA . 18853 1 1330 . 1 1 122 122 ALA CB C 13 19.582 0.06 . 1 . 921 . . 122 ALA CB . 18853 1 1331 . 1 1 122 122 ALA N N 15 117.718 0.051 . 1 . 30 . . 122 ALA N . 18853 1 1332 . 1 1 123 123 ASP H H 1 7.405 0.004 . 1 . 237 . . 123 ASP H . 18853 1 1333 . 1 1 123 123 ASP HA H 1 4.562 0.004 . 1 . 1880 . . 123 ASP HA . 18853 1 1334 . 1 1 123 123 ASP HB2 H 1 2.541 0.007 . 2 . 1882 . . 123 ASP HB2 . 18853 1 1335 . 1 1 123 123 ASP HB3 H 1 2.730 0.004 . 2 . 1881 . . 123 ASP HB3 . 18853 1 1336 . 1 1 123 123 ASP C C 13 175.410 0.036 . 1 . 546 . . 123 ASP C . 18853 1 1337 . 1 1 123 123 ASP CA C 13 55.289 0.086 . 1 . 1099 . . 123 ASP CA . 18853 1 1338 . 1 1 123 123 ASP CB C 13 42.091 0.086 . 1 . 1100 . . 123 ASP CB . 18853 1 1339 . 1 1 123 123 ASP N N 15 114.814 0.019 . 1 . 238 . . 123 ASP N . 18853 1 1340 . 1 1 124 124 LEU H H 1 7.216 0.004 . 1 . 165 . . 124 LEU H . 18853 1 1341 . 1 1 124 124 LEU HA H 1 4.365 0.006 . 1 . 1884 . . 124 LEU HA . 18853 1 1342 . 1 1 124 124 LEU HB2 H 1 1.742 0.009 . 2 . 1879 . . 124 LEU HB2 . 18853 1 1343 . 1 1 124 124 LEU HB3 H 1 1.754 0.006 . 2 . 2414 . . 124 LEU HB3 . 18853 1 1344 . 1 1 124 124 LEU HG H 1 1.549 0.006 . 1 . 1876 . . 124 LEU HG . 18853 1 1345 . 1 1 124 124 LEU HD11 H 1 0.592 0.005 . 2 . 1877 . . 124 LEU HD11 . 18853 1 1346 . 1 1 124 124 LEU HD12 H 1 0.592 0.005 . 2 . 1877 . . 124 LEU HD12 . 18853 1 1347 . 1 1 124 124 LEU HD13 H 1 0.592 0.005 . 2 . 1877 . . 124 LEU HD13 . 18853 1 1348 . 1 1 124 124 LEU HD21 H 1 0.434 0.003 . 2 . 1883 . . 124 LEU HD21 . 18853 1 1349 . 1 1 124 124 LEU HD22 H 1 0.434 0.003 . 2 . 1883 . . 124 LEU HD22 . 18853 1 1350 . 1 1 124 124 LEU HD23 H 1 0.434 0.003 . 2 . 1883 . . 124 LEU HD23 . 18853 1 1351 . 1 1 124 124 LEU C C 13 177.403 0.1 . 1 . 519 . . 124 LEU C . 18853 1 1352 . 1 1 124 124 LEU CA C 13 54.654 0.049 . 1 . 816 . . 124 LEU CA . 18853 1 1353 . 1 1 124 124 LEU CB C 13 43.624 0.118 . 1 . 817 . . 124 LEU CB . 18853 1 1354 . 1 1 124 124 LEU CG C 13 27.021 0.088 . 1 . 1255 . . 124 LEU CG . 18853 1 1355 . 1 1 124 124 LEU CD1 C 13 22.669 0.016 . 2 . 1256 . . 124 LEU CD1 . 18853 1 1356 . 1 1 124 124 LEU CD2 C 13 26.992 0.03 . 2 . 2413 . . 124 LEU CD2 . 18853 1 1357 . 1 1 124 124 LEU N N 15 117.837 0.036 . 1 . 166 . . 124 LEU N . 18853 1 1358 . 1 1 125 125 GLU H H 1 8.450 0.009 . 1 . 123 . . 125 GLU H . 18853 1 1359 . 1 1 125 125 GLU HA H 1 4.391 0.009 . 1 . 1872 . . 125 GLU HA . 18853 1 1360 . 1 1 125 125 GLU HB2 H 1 2.309 0.01 . 2 . 2442 . . 125 GLU HB2 . 18853 1 1361 . 1 1 125 125 GLU HB3 H 1 1.863 0.007 . 2 . 1878 . . 125 GLU HB3 . 18853 1 1362 . 1 1 125 125 GLU HG2 H 1 2.437 0.011 . 2 . 1873 . . 125 GLU HG2 . 18853 1 1363 . 1 1 125 125 GLU HG3 H 1 2.386 0.011 . 2 . 2315 . . 125 GLU HG3 . 18853 1 1364 . 1 1 125 125 GLU C C 13 178.463 0.033 . 1 . 565 . . 125 GLU C . 18853 1 1365 . 1 1 125 125 GLU CA C 13 57.034 0.06 . 1 . 1133 . . 125 GLU CA . 18853 1 1366 . 1 1 125 125 GLU CB C 13 31.214 0.072 . 1 . 1134 . . 125 GLU CB . 18853 1 1367 . 1 1 125 125 GLU CG C 13 36.870 0.07 . 1 . 1257 . . 125 GLU CG . 18853 1 1368 . 1 1 125 125 GLU N N 15 119.921 0.029 . 1 . 124 . . 125 GLU N . 18853 1 1369 . 1 1 126 126 GLN H H 1 9.069 0.008 . 1 . 203 . . 126 GLN H . 18853 1 1370 . 1 1 126 126 GLN HA H 1 3.901 0.005 . 1 . 1869 . . 126 GLN HA . 18853 1 1371 . 1 1 126 126 GLN HB2 H 1 2.218 0.004 . 2 . 1874 . . 126 GLN HB2 . 18853 1 1372 . 1 1 126 126 GLN HB3 H 1 2.126 0.005 . 2 . 1870 . . 126 GLN HB3 . 18853 1 1373 . 1 1 126 126 GLN HG2 H 1 2.470 0.005 . 2 . 1868 . . 126 GLN HG2 . 18853 1 1374 . 1 1 126 126 GLN HG3 H 1 2.413 0.005 . 2 . 1871 . . 126 GLN HG3 . 18853 1 1375 . 1 1 126 126 GLN HE21 H 1 7.445 0.003 . 1 . 959 . . 126 GLN HE21 . 18853 1 1376 . 1 1 126 126 GLN HE22 H 1 6.752 0.012 . 1 . 1875 . . 126 GLN HE22 . 18853 1 1377 . 1 1 126 126 GLN C C 13 178.085 0.006 . 1 . 517 . . 126 GLN C . 18853 1 1378 . 1 1 126 126 GLN CA C 13 62.332 0.072 . 1 . 791 . . 126 GLN CA . 18853 1 1379 . 1 1 126 126 GLN CB C 13 29.448 0.073 . 1 . 1132 . . 126 GLN CB . 18853 1 1380 . 1 1 126 126 GLN CG C 13 35.163 0.052 . 1 . 1258 . . 126 GLN CG . 18853 1 1381 . 1 1 126 126 GLN CD C 13 179.912 0.002 . 1 . 2479 . . 126 GLN CD . 18853 1 1382 . 1 1 126 126 GLN N N 15 123.159 0.041 . 1 . 204 . . 126 GLN N . 18853 1 1383 . 1 1 126 126 GLN NE2 N 15 111.369 0.003 . 1 . 960 . . 126 GLN NE2 . 18853 1 1384 . 1 1 127 127 ASN H H 1 8.914 0.009 . 1 . 117 . . 127 ASN H . 18853 1 1385 . 1 1 127 127 ASN HA H 1 4.564 0.005 . 1 . 1865 . . 127 ASN HA . 18853 1 1386 . 1 1 127 127 ASN HB2 H 1 2.790 0.004 . 2 . 1864 . . 127 ASN HB2 . 18853 1 1387 . 1 1 127 127 ASN HB3 H 1 2.972 0.004 . 2 . 1863 . . 127 ASN HB3 . 18853 1 1388 . 1 1 127 127 ASN HD21 H 1 6.893 0.008 . 1 . 934 . . 127 ASN HD21 . 18853 1 1389 . 1 1 127 127 ASN HD22 H 1 7.648 0.005 . 1 . 932 . . 127 ASN HD22 . 18853 1 1390 . 1 1 127 127 ASN C C 13 177.821 0.029 . 1 . 625 . . 127 ASN C . 18853 1 1391 . 1 1 127 127 ASN CA C 13 57.394 0.088 . 1 . 789 . . 127 ASN CA . 18853 1 1392 . 1 1 127 127 ASN CB C 13 39.240 0.065 . 1 . 790 . . 127 ASN CB . 18853 1 1393 . 1 1 127 127 ASN CG C 13 176.522 0.018 . 1 . 2323 . . 127 ASN CG . 18853 1 1394 . 1 1 127 127 ASN N N 15 115.706 0.048 . 1 . 118 . . 127 ASN N . 18853 1 1395 . 1 1 127 127 ASN ND2 N 15 112.138 0.001 . 1 . 933 . . 127 ASN ND2 . 18853 1 1396 . 1 1 128 128 GLN H H 1 7.300 0.006 . 1 . 302 . . 128 GLN H . 18853 1 1397 . 1 1 128 128 GLN HA H 1 4.055 0.008 . 1 . 1866 . . 128 GLN HA . 18853 1 1398 . 1 1 128 128 GLN HB2 H 1 2.569 0.007 . 2 . 2703 . . 128 GLN HB2 . 18853 1 1399 . 1 1 128 128 GLN HB3 H 1 1.862 0.012 . 2 . 1867 . . 128 GLN HB3 . 18853 1 1400 . 1 1 128 128 GLN C C 13 177.819 0.1 . 1 . 659 . . 128 GLN C . 18853 1 1401 . 1 1 128 128 GLN CA C 13 58.813 0.096 . 1 . 1259 . . 128 GLN CA . 18853 1 1402 . 1 1 128 128 GLN CB C 13 31.412 0.142 . 1 . 1131 . . 128 GLN CB . 18853 1 1403 . 1 1 128 128 GLN N N 15 118.261 0.026 . 1 . 303 . . 128 GLN N . 18853 1 1404 . 1 1 129 129 GLN H H 1 8.537 0.007 . 1 . 367 . . 129 GLN H . 18853 1 1405 . 1 1 129 129 GLN HA H 1 3.700 0.004 . 1 . 1862 . . 129 GLN HA . 18853 1 1406 . 1 1 129 129 GLN HB2 H 1 2.426 0.017 . 2 . 1860 . . 129 GLN HB2 . 18853 1 1407 . 1 1 129 129 GLN HB3 H 1 2.221 0.014 . 2 . 1861 . . 129 GLN HB3 . 18853 1 1408 . 1 1 129 129 GLN HG2 H 1 2.478 0.006 . 2 . 2673 . . 129 GLN HG2 . 18853 1 1409 . 1 1 129 129 GLN HG3 H 1 2.268 0.007 . 2 . 2672 . . 129 GLN HG3 . 18853 1 1410 . 1 1 129 129 GLN C C 13 177.558 0.1 . 1 . 566 . . 129 GLN C . 18853 1 1411 . 1 1 129 129 GLN CA C 13 61.097 0.078 . 1 . 830 . . 129 GLN CA . 18853 1 1412 . 1 1 129 129 GLN CB C 13 29.436 0.055 . 1 . 1130 . . 129 GLN CB . 18853 1 1413 . 1 1 129 129 GLN CG C 13 36.381 0.029 . 1 . 1260 . . 129 GLN CG . 18853 1 1414 . 1 1 129 129 GLN N N 15 120.148 0.037 . 1 . 368 . . 129 GLN N . 18853 1 1415 . 1 1 130 130 ALA H H 1 8.224 0.006 . 1 . 205 . . 130 ALA H . 18853 1 1416 . 1 1 130 130 ALA HA H 1 4.212 0.007 . 1 . 1859 . . 130 ALA HA . 18853 1 1417 . 1 1 130 130 ALA HB1 H 1 1.618 0.004 . 1 . 1858 . . 130 ALA HB1 . 18853 1 1418 . 1 1 130 130 ALA HB2 H 1 1.618 0.004 . 1 . 1858 . . 130 ALA HB2 . 18853 1 1419 . 1 1 130 130 ALA HB3 H 1 1.618 0.004 . 1 . 1858 . . 130 ALA HB3 . 18853 1 1420 . 1 1 130 130 ALA C C 13 180.662 0.1 . 1 . 581 . . 130 ALA C . 18853 1 1421 . 1 1 130 130 ALA CA C 13 57.516 0.075 . 1 . 1135 . . 130 ALA CA . 18853 1 1422 . 1 1 130 130 ALA CB C 13 18.497 0.05 . 1 . 904 . . 130 ALA CB . 18853 1 1423 . 1 1 130 130 ALA N N 15 120.554 0.048 . 1 . 206 . . 130 ALA N . 18853 1 1424 . 1 1 131 131 ARG H H 1 7.469 0.01 . 1 . 235 . . 131 ARG H . 18853 1 1425 . 1 1 131 131 ARG HA H 1 4.035 0.002 . 1 . 2749 . . 131 ARG HA . 18853 1 1426 . 1 1 131 131 ARG C C 13 179.025 0.1 . 1 . 612 . . 131 ARG C . 18853 1 1427 . 1 1 131 131 ARG CA C 13 60.051 0.055 . 1 . 1440 . . 131 ARG CA . 18853 1 1428 . 1 1 131 131 ARG CB C 13 33.346 0.1 . 1 . 2739 . . 131 ARG CB . 18853 1 1429 . 1 1 131 131 ARG N N 15 118.408 0.047 . 1 . 236 . . 131 ARG N . 18853 1 1430 . 1 1 132 132 TYR H H 1 8.446 0.011 . 1 . 283 . . 132 TYR H . 18853 1 1431 . 1 1 132 132 TYR HA H 1 3.677 0.009 . 1 . 2597 . . 132 TYR HA . 18853 1 1432 . 1 1 132 132 TYR HB2 H 1 2.964 0.009 . 2 . 1856 . . 132 TYR HB2 . 18853 1 1433 . 1 1 132 132 TYR HB3 H 1 2.523 0.01 . 2 . 1857 . . 132 TYR HB3 . 18853 1 1434 . 1 1 132 132 TYR HD1 H 1 5.725 0.006 . 3 . 2598 . . 132 TYR HD1 . 18853 1 1435 . 1 1 132 132 TYR HD2 H 1 5.725 0.006 . 3 . 2598 . . 132 TYR HD2 . 18853 1 1436 . 1 1 132 132 TYR HE1 H 1 5.671 0.013 . 3 . 2600 . . 132 TYR HE1 . 18853 1 1437 . 1 1 132 132 TYR HE2 H 1 5.671 0.013 . 3 . 2600 . . 132 TYR HE2 . 18853 1 1438 . 1 1 132 132 TYR C C 13 176.043 0.1 . 1 . 558 . . 132 TYR C . 18853 1 1439 . 1 1 132 132 TYR CA C 13 62.627 0.086 . 1 . 1441 . . 132 TYR CA . 18853 1 1440 . 1 1 132 132 TYR CB C 13 38.726 0.06 . 1 . 1442 . . 132 TYR CB . 18853 1 1441 . 1 1 132 132 TYR CD1 C 13 133.232 0.038 . 3 . 2599 . . 132 TYR CD1 . 18853 1 1442 . 1 1 132 132 TYR CD2 C 13 133.232 0.038 . 3 . 2599 . . 132 TYR CD2 . 18853 1 1443 . 1 1 132 132 TYR CE1 C 13 118.541 0.061 . 3 . 2601 . . 132 TYR CE1 . 18853 1 1444 . 1 1 132 132 TYR CE2 C 13 118.541 0.061 . 3 . 2601 . . 132 TYR CE2 . 18853 1 1445 . 1 1 132 132 TYR N N 15 123.946 0.057 . 1 . 284 . . 132 TYR N . 18853 1 1446 . 1 1 133 133 TRP H H 1 8.304 0.009 . 1 . 189 . . 133 TRP H . 18853 1 1447 . 1 1 133 133 TRP HA H 1 3.686 0.011 . 1 . 1855 . . 133 TRP HA . 18853 1 1448 . 1 1 133 133 TRP HB2 H 1 2.536 0.0 . 2 . 2628 . . 133 TRP HB2 . 18853 1 1449 . 1 1 133 133 TRP HB3 H 1 2.957 0.017 . 2 . 2627 . . 133 TRP HB3 . 18853 1 1450 . 1 1 133 133 TRP HD1 H 1 7.003 0.009 . 1 . 2571 . . 133 TRP HD1 . 18853 1 1451 . 1 1 133 133 TRP HE1 H 1 10.555 0.013 . 1 . 403 . . 133 TRP HE1 . 18853 1 1452 . 1 1 133 133 TRP HE3 H 1 7.443 0.005 . 1 . 2752 . . 133 TRP HE3 . 18853 1 1453 . 1 1 133 133 TRP HZ2 H 1 7.443 0.007 . 1 . 2573 . . 133 TRP HZ2 . 18853 1 1454 . 1 1 133 133 TRP HZ3 H 1 7.057 0.007 . 1 . 2751 . . 133 TRP HZ3 . 18853 1 1455 . 1 1 133 133 TRP HH2 H 1 7.251 0.005 . 1 . 2575 . . 133 TRP HH2 . 18853 1 1456 . 1 1 133 133 TRP C C 13 178.560 0.1 . 1 . 564 . . 133 TRP C . 18853 1 1457 . 1 1 133 133 TRP CA C 13 60.987 0.076 . 1 . 1444 . . 133 TRP CA . 18853 1 1458 . 1 1 133 133 TRP CB C 13 30.403 0.079 . 1 . 1443 . . 133 TRP CB . 18853 1 1459 . 1 1 133 133 TRP CD1 C 13 129.070 0.081 . 1 . 2570 . . 133 TRP CD1 . 18853 1 1460 . 1 1 133 133 TRP CE3 C 13 121.351 0.139 . 1 . 2753 . . 133 TRP CE3 . 18853 1 1461 . 1 1 133 133 TRP CZ2 C 13 116.244 0.089 . 1 . 2572 . . 133 TRP CZ2 . 18853 1 1462 . 1 1 133 133 TRP CZ3 C 13 122.165 0.137 . 1 . 2754 . . 133 TRP CZ3 . 18853 1 1463 . 1 1 133 133 TRP CH2 C 13 125.629 0.088 . 1 . 2574 . . 133 TRP CH2 . 18853 1 1464 . 1 1 133 133 TRP N N 15 118.365 0.034 . 1 . 190 . . 133 TRP N . 18853 1 1465 . 1 1 133 133 TRP NE1 N 15 127.896 0.017 . 1 . 404 . . 133 TRP NE1 . 18853 1 1466 . 1 1 134 134 GLN H H 1 8.125 0.007 . 1 . 199 . . 134 GLN H . 18853 1 1467 . 1 1 134 134 GLN HA H 1 3.805 0.006 . 1 . 1854 . . 134 GLN HA . 18853 1 1468 . 1 1 134 134 GLN HG3 H 1 2.358 0.006 . 1 . 1853 . . 134 GLN HG3 . 18853 1 1469 . 1 1 134 134 GLN C C 13 177.134 0.1 . 1 . 635 . . 134 GLN C . 18853 1 1470 . 1 1 134 134 GLN CA C 13 59.128 0.097 . 1 . 1383 . . 134 GLN CA . 18853 1 1471 . 1 1 134 134 GLN CB C 13 29.330 0.103 . 1 . 1471 . . 134 GLN CB . 18853 1 1472 . 1 1 134 134 GLN CG C 13 34.451 0.093 . 1 . 1384 . . 134 GLN CG . 18853 1 1473 . 1 1 134 134 GLN N N 15 117.543 0.033 . 1 . 200 . . 134 GLN N . 18853 1 1474 . 1 1 135 135 ALA H H 1 7.927 0.007 . 1 . 324 . . 135 ALA H . 18853 1 1475 . 1 1 135 135 ALA HA H 1 4.027 0.007 . 1 . 1850 . . 135 ALA HA . 18853 1 1476 . 1 1 135 135 ALA HB1 H 1 1.328 0.004 . 1 . 1845 . . 135 ALA HB1 . 18853 1 1477 . 1 1 135 135 ALA HB2 H 1 1.328 0.004 . 1 . 1845 . . 135 ALA HB2 . 18853 1 1478 . 1 1 135 135 ALA HB3 H 1 1.328 0.004 . 1 . 1845 . . 135 ALA HB3 . 18853 1 1479 . 1 1 135 135 ALA C C 13 178.947 0.014 . 1 . 569 . . 135 ALA C . 18853 1 1480 . 1 1 135 135 ALA CA C 13 55.774 0.081 . 1 . 1000 . . 135 ALA CA . 18853 1 1481 . 1 1 135 135 ALA CB C 13 19.020 0.052 . 1 . 903 . . 135 ALA CB . 18853 1 1482 . 1 1 135 135 ALA N N 15 121.069 0.043 . 1 . 325 . . 135 ALA N . 18853 1 1483 . 1 1 136 136 LYS H H 1 7.714 0.005 . 1 . 211 . . 136 LYS H . 18853 1 1484 . 1 1 136 136 LYS HA H 1 3.637 0.007 . 1 . 1849 . . 136 LYS HA . 18853 1 1485 . 1 1 136 136 LYS HB2 H 1 1.857 0.007 . 2 . 1846 . . 136 LYS HB2 . 18853 1 1486 . 1 1 136 136 LYS HB3 H 1 1.729 0.005 . 2 . 1843 . . 136 LYS HB3 . 18853 1 1487 . 1 1 136 136 LYS HG2 H 1 1.071 0.01 . 2 . 1847 . . 136 LYS HG2 . 18853 1 1488 . 1 1 136 136 LYS HG3 H 1 1.079 0.006 . 2 . 2503 . . 136 LYS HG3 . 18853 1 1489 . 1 1 136 136 LYS HD2 H 1 1.447 0.006 . 2 . 2502 . . 136 LYS HD2 . 18853 1 1490 . 1 1 136 136 LYS HD3 H 1 1.439 0.009 . 2 . 1848 . . 136 LYS HD3 . 18853 1 1491 . 1 1 136 136 LYS HE2 H 1 2.809 0.002 . 2 . 2682 . . 136 LYS HE2 . 18853 1 1492 . 1 1 136 136 LYS HE3 H 1 2.925 0.006 . 2 . 2684 . . 136 LYS HE3 . 18853 1 1493 . 1 1 136 136 LYS C C 13 179.617 0.1 . 1 . 743 . . 136 LYS C . 18853 1 1494 . 1 1 136 136 LYS CA C 13 60.194 0.074 . 1 . 1118 . . 136 LYS CA . 18853 1 1495 . 1 1 136 136 LYS CB C 13 32.862 0.046 . 1 . 1119 . . 136 LYS CB . 18853 1 1496 . 1 1 136 136 LYS CG C 13 25.903 0.059 . 1 . 1382 . . 136 LYS CG . 18853 1 1497 . 1 1 136 136 LYS CD C 13 30.027 0.066 . 1 . 1381 . . 136 LYS CD . 18853 1 1498 . 1 1 136 136 LYS CE C 13 42.907 0.061 . 1 . 2683 . . 136 LYS CE . 18853 1 1499 . 1 1 136 136 LYS N N 15 117.729 0.042 . 1 . 212 . . 136 LYS N . 18853 1 1500 . 1 1 137 137 ILE H H 1 8.232 0.008 . 1 . 741 . . 137 ILE H . 18853 1 1501 . 1 1 137 137 ILE HA H 1 3.369 0.006 . 1 . 1844 . . 137 ILE HA . 18853 1 1502 . 1 1 137 137 ILE HB H 1 1.888 0.011 . 1 . 1840 . . 137 ILE HB . 18853 1 1503 . 1 1 137 137 ILE HG21 H 1 0.776 0.006 . 1 . 1842 . . 137 ILE HG21 . 18853 1 1504 . 1 1 137 137 ILE HG22 H 1 0.776 0.006 . 1 . 1842 . . 137 ILE HG22 . 18853 1 1505 . 1 1 137 137 ILE HG23 H 1 0.776 0.006 . 1 . 1842 . . 137 ILE HG23 . 18853 1 1506 . 1 1 137 137 ILE HD11 H 1 0.625 0.007 . 1 . 1841 . . 137 ILE HD11 . 18853 1 1507 . 1 1 137 137 ILE HD12 H 1 0.625 0.007 . 1 . 1841 . . 137 ILE HD12 . 18853 1 1508 . 1 1 137 137 ILE HD13 H 1 0.625 0.007 . 1 . 1841 . . 137 ILE HD13 . 18853 1 1509 . 1 1 137 137 ILE C C 13 179.872 0.1 . 1 . 688 . . 137 ILE C . 18853 1 1510 . 1 1 137 137 ILE CA C 13 66.617 0.08 . 1 . 1377 . . 137 ILE CA . 18853 1 1511 . 1 1 137 137 ILE CB C 13 39.417 0.09 . 1 . 1378 . . 137 ILE CB . 18853 1 1512 . 1 1 137 137 ILE CG1 C 13 25.006 0.1 . 1 . 1379 . . 137 ILE CG1 . 18853 1 1513 . 1 1 137 137 ILE CG2 C 13 17.611 0.061 . 1 . 1380 . . 137 ILE CG2 . 18853 1 1514 . 1 1 137 137 ILE CD1 C 13 15.458 0.055 . 1 . 2383 . . 137 ILE CD1 . 18853 1 1515 . 1 1 137 137 ILE N N 15 122.063 0.031 . 1 . 742 . . 137 ILE N . 18853 1 1516 . 1 1 138 138 ASP H H 1 9.154 0.01 . 1 . 411 . . 138 ASP H . 18853 1 1517 . 1 1 138 138 ASP HA H 1 4.298 0.004 . 1 . 1837 . . 138 ASP HA . 18853 1 1518 . 1 1 138 138 ASP HB2 H 1 2.659 0.003 . 2 . 1839 . . 138 ASP HB2 . 18853 1 1519 . 1 1 138 138 ASP HB3 H 1 2.851 0.006 . 2 . 1838 . . 138 ASP HB3 . 18853 1 1520 . 1 1 138 138 ASP C C 13 179.608 0.1 . 1 . 491 . . 138 ASP C . 18853 1 1521 . 1 1 138 138 ASP CA C 13 58.465 0.092 . 1 . 1054 . . 138 ASP CA . 18853 1 1522 . 1 1 138 138 ASP CB C 13 41.116 0.071 . 1 . 1055 . . 138 ASP CB . 18853 1 1523 . 1 1 138 138 ASP N N 15 124.348 0.026 . 1 . 412 . . 138 ASP N . 18853 1 1524 . 1 1 139 139 ALA H H 1 8.655 0.008 . 1 . 59 . . 139 ALA H . 18853 1 1525 . 1 1 139 139 ALA HA H 1 4.115 0.006 . 1 . 1836 . . 139 ALA HA . 18853 1 1526 . 1 1 139 139 ALA HB1 H 1 1.429 0.005 . 1 . 1835 . . 139 ALA HB1 . 18853 1 1527 . 1 1 139 139 ALA HB2 H 1 1.429 0.005 . 1 . 1835 . . 139 ALA HB2 . 18853 1 1528 . 1 1 139 139 ALA HB3 H 1 1.429 0.005 . 1 . 1835 . . 139 ALA HB3 . 18853 1 1529 . 1 1 139 139 ALA C C 13 177.276 0.018 . 1 . 914 . . 139 ALA C . 18853 1 1530 . 1 1 139 139 ALA CA C 13 55.110 0.084 . 1 . 902 . . 139 ALA CA . 18853 1 1531 . 1 1 139 139 ALA CB C 13 18.804 0.071 . 1 . 901 . . 139 ALA CB . 18853 1 1532 . 1 1 139 139 ALA N N 15 120.677 0.056 . 1 . 60 . . 139 ALA N . 18853 1 1533 . 1 1 140 140 SER H H 1 7.383 0.007 . 1 . 912 . . 140 SER H . 18853 1 1534 . 1 1 140 140 SER HA H 1 4.225 0.004 . 1 . 1830 . . 140 SER HA . 18853 1 1535 . 1 1 140 140 SER HB2 H 1 3.945 0.005 . 2 . 2435 . . 140 SER HB2 . 18853 1 1536 . 1 1 140 140 SER HB3 H 1 4.088 0.011 . 2 . 2254 . . 140 SER HB3 . 18853 1 1537 . 1 1 140 140 SER C C 13 175.432 0.023 . 1 . 650 . . 140 SER C . 18853 1 1538 . 1 1 140 140 SER CA C 13 61.366 0.068 . 1 . 915 . . 140 SER CA . 18853 1 1539 . 1 1 140 140 SER CB C 13 65.312 0.051 . 1 . 766 . . 140 SER CB . 18853 1 1540 . 1 1 140 140 SER N N 15 111.893 0.051 . 1 . 913 . . 140 SER N . 18853 1 1541 . 1 1 141 141 GLN H H 1 7.615 0.006 . 1 . 355 . . 141 GLN H . 18853 1 1542 . 1 1 141 141 GLN HA H 1 3.737 0.004 . 1 . 1829 . . 141 GLN HA . 18853 1 1543 . 1 1 141 141 GLN HB2 H 1 1.864 0.009 . 2 . 1832 . . 141 GLN HB2 . 18853 1 1544 . 1 1 141 141 GLN HB3 H 1 2.020 0.01 . 2 . 1831 . . 141 GLN HB3 . 18853 1 1545 . 1 1 141 141 GLN HG2 H 1 1.556 0.01 . 2 . 1834 . . 141 GLN HG2 . 18853 1 1546 . 1 1 141 141 GLN HG3 H 1 1.400 0.011 . 2 . 1833 . . 141 GLN HG3 . 18853 1 1547 . 1 1 141 141 GLN HE21 H 1 7.040 0.009 . 1 . 938 . . 141 GLN HE21 . 18853 1 1548 . 1 1 141 141 GLN HE22 H 1 6.513 0.008 . 1 . 940 . . 141 GLN HE22 . 18853 1 1549 . 1 1 141 141 GLN C C 13 175.269 0.013 . 1 . 542 . . 141 GLN C . 18853 1 1550 . 1 1 141 141 GLN CA C 13 58.152 0.07 . 1 . 810 . . 141 GLN CA . 18853 1 1551 . 1 1 141 141 GLN CB C 13 29.263 0.113 . 1 . 1261 . . 141 GLN CB . 18853 1 1552 . 1 1 141 141 GLN CG C 13 35.340 0.056 . 1 . 1262 . . 141 GLN CG . 18853 1 1553 . 1 1 141 141 GLN CD C 13 180.876 0.031 . 1 . 2328 . . 141 GLN CD . 18853 1 1554 . 1 1 141 141 GLN N N 15 115.470 0.032 . 1 . 356 . . 141 GLN N . 18853 1 1555 . 1 1 141 141 GLN NE2 N 15 112.154 0.0 . 1 . 939 . . 141 GLN NE2 . 18853 1 1556 . 1 1 142 142 GLY H H 1 8.493 0.009 . 1 . 155 . . 142 GLY H . 18853 1 1557 . 1 1 142 142 GLY HA2 H 1 3.378 0.008 . 2 . 1826 . . 142 GLY HA2 . 18853 1 1558 . 1 1 142 142 GLY HA3 H 1 3.922 0.005 . 2 . 1825 . . 142 GLY HA3 . 18853 1 1559 . 1 1 142 142 GLY C C 13 174.041 0.1 . 1 . 708 . . 142 GLY C . 18853 1 1560 . 1 1 142 142 GLY CA C 13 46.394 0.083 . 1 . 1056 . . 142 GLY CA . 18853 1 1561 . 1 1 142 142 GLY N N 15 106.254 0.041 . 1 . 156 . . 142 GLY N . 18853 1 1562 . 1 1 143 143 ARG H H 1 7.311 0.003 . 1 . 447 . . 143 ARG H . 18853 1 1563 . 1 1 143 143 ARG HA H 1 4.422 0.004 . 1 . 2549 . . 143 ARG HA . 18853 1 1564 . 1 1 143 143 ARG HB2 H 1 1.764 0.007 . 2 . 1828 . . 143 ARG HB2 . 18853 1 1565 . 1 1 143 143 ARG HB3 H 1 1.772 0.007 . 2 . 2553 . . 143 ARG HB3 . 18853 1 1566 . 1 1 143 143 ARG HG2 H 1 1.530 0.005 . 2 . 2551 . . 143 ARG HG2 . 18853 1 1567 . 1 1 143 143 ARG HG3 H 1 1.632 0.004 . 2 . 2552 . . 143 ARG HG3 . 18853 1 1568 . 1 1 143 143 ARG HD2 H 1 3.161 0.003 . 2 . 1827 . . 143 ARG HD2 . 18853 1 1569 . 1 1 143 143 ARG HD3 H 1 3.161 0.004 . 2 . 2783 . . 143 ARG HD3 . 18853 1 1570 . 1 1 143 143 ARG HE H 1 7.079 0.002 . 1 . 2784 . . 143 ARG HE . 18853 1 1571 . 1 1 143 143 ARG CA C 13 54.793 0.071 . 1 . 1058 . . 143 ARG CA . 18853 1 1572 . 1 1 143 143 ARG CB C 13 30.715 0.076 . 1 . 1057 . . 143 ARG CB . 18853 1 1573 . 1 1 143 143 ARG CG C 13 28.016 0.057 . 1 . 2554 . . 143 ARG CG . 18853 1 1574 . 1 1 143 143 ARG CD C 13 44.320 0.022 . 1 . 2785 . . 143 ARG CD . 18853 1 1575 . 1 1 143 143 ARG N N 15 122.304 0.033 . 1 . 448 . . 143 ARG N . 18853 1 1576 . 1 1 144 144 PRO HA H 1 4.043 0.009 . 1 . 2550 . . 144 PRO HA . 18853 1 1577 . 1 1 144 144 PRO HB2 H 1 2.076 0.007 . 2 . 1824 . . 144 PRO HB2 . 18853 1 1578 . 1 1 144 144 PRO HB3 H 1 1.834 0.002 . 2 . 1823 . . 144 PRO HB3 . 18853 1 1579 . 1 1 144 144 PRO HG2 H 1 2.038 0.004 . 2 . 2690 . . 144 PRO HG2 . 18853 1 1580 . 1 1 144 144 PRO HG3 H 1 1.882 0.001 . 2 . 2691 . . 144 PRO HG3 . 18853 1 1581 . 1 1 144 144 PRO HD2 H 1 4.041 0.003 . 2 . 2688 . . 144 PRO HD2 . 18853 1 1582 . 1 1 144 144 PRO HD3 H 1 3.584 0.003 . 2 . 2689 . . 144 PRO HD3 . 18853 1 1583 . 1 1 144 144 PRO C C 13 175.697 0.1 . 1 . 702 . . 144 PRO C . 18853 1 1584 . 1 1 144 144 PRO CA C 13 64.921 0.045 . 1 . 1091 . . 144 PRO CA . 18853 1 1585 . 1 1 144 144 PRO CB C 13 32.898 0.077 . 1 . 1092 . . 144 PRO CB . 18853 1 1586 . 1 1 144 144 PRO CG C 13 28.939 0.073 . 1 . 1263 . . 144 PRO CG . 18853 1 1587 . 1 1 144 144 PRO CD C 13 51.577 0.034 . 1 . 1264 . . 144 PRO CD . 18853 1 1588 . 1 1 145 145 SER H H 1 7.084 0.006 . 1 . 435 . . 145 SER H . 18853 1 1589 . 1 1 145 145 SER HA H 1 4.466 0.014 . 1 . 1821 . . 145 SER HA . 18853 1 1590 . 1 1 145 145 SER HB2 H 1 4.144 0.014 . 2 . 2434 . . 145 SER HB2 . 18853 1 1591 . 1 1 145 145 SER HB3 H 1 4.019 0.014 . 2 . 2433 . . 145 SER HB3 . 18853 1 1592 . 1 1 145 145 SER C C 13 174.583 0.1 . 1 . 552 . . 145 SER C . 18853 1 1593 . 1 1 145 145 SER CA C 13 58.215 0.093 . 1 . 873 . . 145 SER CA . 18853 1 1594 . 1 1 145 145 SER CB C 13 66.684 0.075 . 1 . 872 . . 145 SER CB . 18853 1 1595 . 1 1 145 145 SER N N 15 113.797 0.028 . 1 . 436 . . 145 SER N . 18853 1 1596 . 1 1 146 146 ILE H H 1 9.286 0.012 . 1 . 177 . . 146 ILE H . 18853 1 1597 . 1 1 146 146 ILE HA H 1 4.037 0.009 . 1 . 1817 . . 146 ILE HA . 18853 1 1598 . 1 1 146 146 ILE HB H 1 1.872 0.005 . 1 . 1818 . . 146 ILE HB . 18853 1 1599 . 1 1 146 146 ILE HG12 H 1 1.381 0.007 . 2 . 2382 . . 146 ILE HG12 . 18853 1 1600 . 1 1 146 146 ILE HG13 H 1 1.384 0.008 . 2 . 1822 . . 146 ILE HG13 . 18853 1 1601 . 1 1 146 146 ILE HG21 H 1 1.000 0.004 . 1 . 1819 . . 146 ILE HG21 . 18853 1 1602 . 1 1 146 146 ILE HG22 H 1 1.000 0.004 . 1 . 1819 . . 146 ILE HG22 . 18853 1 1603 . 1 1 146 146 ILE HG23 H 1 1.000 0.004 . 1 . 1819 . . 146 ILE HG23 . 18853 1 1604 . 1 1 146 146 ILE HD11 H 1 0.924 0.009 . 1 . 1820 . . 146 ILE HD11 . 18853 1 1605 . 1 1 146 146 ILE HD12 H 1 0.924 0.009 . 1 . 1820 . . 146 ILE HD12 . 18853 1 1606 . 1 1 146 146 ILE HD13 H 1 0.924 0.009 . 1 . 1820 . . 146 ILE HD13 . 18853 1 1607 . 1 1 146 146 ILE C C 13 175.696 0.1 . 1 . 510 . . 146 ILE C . 18853 1 1608 . 1 1 146 146 ILE CA C 13 64.034 0.076 . 1 . 1089 . . 146 ILE CA . 18853 1 1609 . 1 1 146 146 ILE CB C 13 39.062 0.083 . 1 . 1090 . . 146 ILE CB . 18853 1 1610 . 1 1 146 146 ILE CG1 C 13 30.645 0.081 . 1 . 1265 . . 146 ILE CG1 . 18853 1 1611 . 1 1 146 146 ILE CG2 C 13 18.560 0.063 . 1 . 1266 . . 146 ILE CG2 . 18853 1 1612 . 1 1 146 146 ILE CD1 C 13 15.737 0.084 . 1 . 1267 . . 146 ILE CD1 . 18853 1 1613 . 1 1 146 146 ILE N N 15 121.559 0.033 . 1 . 178 . . 146 ILE N . 18853 1 1614 . 1 1 147 147 ASP H H 1 7.622 0.008 . 1 . 103 . . 147 ASP H . 18853 1 1615 . 1 1 147 147 ASP HA H 1 4.380 0.007 . 1 . 1811 . . 147 ASP HA . 18853 1 1616 . 1 1 147 147 ASP HB2 H 1 2.568 0.004 . 2 . 1812 . . 147 ASP HB2 . 18853 1 1617 . 1 1 147 147 ASP HB3 H 1 2.573 0.007 . 2 . 2299 . . 147 ASP HB3 . 18853 1 1618 . 1 1 147 147 ASP C C 13 178.611 0.1 . 1 . 476 . . 147 ASP C . 18853 1 1619 . 1 1 147 147 ASP CA C 13 58.487 0.082 . 1 . 1014 . . 147 ASP CA . 18853 1 1620 . 1 1 147 147 ASP CB C 13 42.080 0.058 . 1 . 1015 . . 147 ASP CB . 18853 1 1621 . 1 1 147 147 ASP N N 15 121.563 0.035 . 1 . 104 . . 147 ASP N . 18853 1 1622 . 1 1 148 148 LEU H H 1 7.569 0.006 . 1 . 39 . . 148 LEU H . 18853 1 1623 . 1 1 148 148 LEU HA H 1 4.048 0.004 . 1 . 1810 . . 148 LEU HA . 18853 1 1624 . 1 1 148 148 LEU HG H 1 1.394 0.004 . 1 . 2726 . . 148 LEU HG . 18853 1 1625 . 1 1 148 148 LEU HD11 H 1 0.939 0.008 . 2 . 1815 . . 148 LEU HD11 . 18853 1 1626 . 1 1 148 148 LEU HD12 H 1 0.939 0.008 . 2 . 1815 . . 148 LEU HD12 . 18853 1 1627 . 1 1 148 148 LEU HD13 H 1 0.939 0.008 . 2 . 1815 . . 148 LEU HD13 . 18853 1 1628 . 1 1 148 148 LEU HD21 H 1 0.695 0.006 . 2 . 1816 . . 148 LEU HD21 . 18853 1 1629 . 1 1 148 148 LEU HD22 H 1 0.695 0.006 . 2 . 1816 . . 148 LEU HD22 . 18853 1 1630 . 1 1 148 148 LEU HD23 H 1 0.695 0.006 . 2 . 1816 . . 148 LEU HD23 . 18853 1 1631 . 1 1 148 148 LEU C C 13 177.873 0.1 . 1 . 474 . . 148 LEU C . 18853 1 1632 . 1 1 148 148 LEU CA C 13 59.087 0.069 . 1 . 1008 . . 148 LEU CA . 18853 1 1633 . 1 1 148 148 LEU CB C 13 42.758 0.035 . 1 . 1009 . . 148 LEU CB . 18853 1 1634 . 1 1 148 148 LEU CG C 13 28.433 0.075 . 1 . 2727 . . 148 LEU CG . 18853 1 1635 . 1 1 148 148 LEU CD2 C 13 27.350 0.027 . 1 . 1268 . . 148 LEU CD2 . 18853 1 1636 . 1 1 148 148 LEU N N 15 121.548 0.037 . 1 . 40 . . 148 LEU N . 18853 1 1637 . 1 1 149 149 LEU H H 1 7.493 0.01 . 1 . 35 . . 149 LEU H . 18853 1 1638 . 1 1 149 149 LEU HA H 1 3.792 0.009 . 1 . 2412 . . 149 LEU HA . 18853 1 1639 . 1 1 149 149 LEU HB2 H 1 1.879 0.006 . 2 . 1809 . . 149 LEU HB2 . 18853 1 1640 . 1 1 149 149 LEU HB3 H 1 1.162 0.009 . 2 . 2728 . . 149 LEU HB3 . 18853 1 1641 . 1 1 149 149 LEU HG H 1 1.633 0.006 . 1 . 2410 . . 149 LEU HG . 18853 1 1642 . 1 1 149 149 LEU HD11 H 1 0.570 0.005 . 2 . 2411 . . 149 LEU HD11 . 18853 1 1643 . 1 1 149 149 LEU HD12 H 1 0.570 0.005 . 2 . 2411 . . 149 LEU HD12 . 18853 1 1644 . 1 1 149 149 LEU HD13 H 1 0.570 0.005 . 2 . 2411 . . 149 LEU HD13 . 18853 1 1645 . 1 1 149 149 LEU HD21 H 1 0.637 0.005 . 2 . 1808 . . 149 LEU HD21 . 18853 1 1646 . 1 1 149 149 LEU HD22 H 1 0.637 0.005 . 2 . 1808 . . 149 LEU HD22 . 18853 1 1647 . 1 1 149 149 LEU HD23 H 1 0.637 0.005 . 2 . 1808 . . 149 LEU HD23 . 18853 1 1648 . 1 1 149 149 LEU C C 13 178.245 0.1 . 1 . 456 . . 149 LEU C . 18853 1 1649 . 1 1 149 149 LEU CA C 13 59.174 0.105 . 1 . 1154 . . 149 LEU CA . 18853 1 1650 . 1 1 149 149 LEU CB C 13 42.821 0.085 . 1 . 1155 . . 149 LEU CB . 18853 1 1651 . 1 1 149 149 LEU CG C 13 27.923 0.093 . 1 . 1453 . . 149 LEU CG . 18853 1 1652 . 1 1 149 149 LEU CD1 C 13 24.643 0.04 . 2 . 1455 . . 149 LEU CD1 . 18853 1 1653 . 1 1 149 149 LEU CD2 C 13 26.891 0.029 . 2 . 1454 . . 149 LEU CD2 . 18853 1 1654 . 1 1 149 149 LEU N N 15 116.322 0.054 . 1 . 36 . . 149 LEU N . 18853 1 1655 . 1 1 150 150 ARG H H 1 8.387 0.006 . 1 . 3 . . 150 ARG H . 18853 1 1656 . 1 1 150 150 ARG HA H 1 3.742 0.007 . 1 . 2533 . . 150 ARG HA . 18853 1 1657 . 1 1 150 150 ARG HB2 H 1 1.854 0.003 . 2 . 1806 . . 150 ARG HB2 . 18853 1 1658 . 1 1 150 150 ARG HB3 H 1 1.803 0.002 . 2 . 1807 . . 150 ARG HB3 . 18853 1 1659 . 1 1 150 150 ARG HD2 H 1 3.154 0.006 . 2 . 2746 . . 150 ARG HD2 . 18853 1 1660 . 1 1 150 150 ARG HD3 H 1 2.985 0.01 . 2 . 2745 . . 150 ARG HD3 . 18853 1 1661 . 1 1 150 150 ARG HE H 1 7.393 0.008 . 1 . 207 . . 150 ARG HE . 18853 1 1662 . 1 1 150 150 ARG C C 13 178.827 0.1 . 1 . 602 . . 150 ARG C . 18853 1 1663 . 1 1 150 150 ARG CA C 13 61.555 0.08 . 1 . 753 . . 150 ARG CA . 18853 1 1664 . 1 1 150 150 ARG CB C 13 31.367 0.05 . 1 . 1451 . . 150 ARG CB . 18853 1 1665 . 1 1 150 150 ARG CD C 13 44.459 0.048 . 1 . 1452 . . 150 ARG CD . 18853 1 1666 . 1 1 150 150 ARG CZ C 13 159.795 0.1 . 1 . 567 . . 150 ARG CZ . 18853 1 1667 . 1 1 150 150 ARG N N 15 115.198 0.057 . 1 . 4 . . 150 ARG N . 18853 1 1668 . 1 1 150 150 ARG NE N 15 84.765 0.013 . 1 . 208 . . 150 ARG NE . 18853 1 1669 . 1 1 151 151 ALA H H 1 7.640 0.007 . 1 . 269 . . 151 ALA H . 18853 1 1670 . 1 1 151 151 ALA HA H 1 4.048 0.007 . 1 . 1804 . . 151 ALA HA . 18853 1 1671 . 1 1 151 151 ALA HB1 H 1 1.623 0.005 . 1 . 1800 . . 151 ALA HB1 . 18853 1 1672 . 1 1 151 151 ALA HB2 H 1 1.623 0.005 . 1 . 1800 . . 151 ALA HB2 . 18853 1 1673 . 1 1 151 151 ALA HB3 H 1 1.623 0.005 . 1 . 1800 . . 151 ALA HB3 . 18853 1 1674 . 1 1 151 151 ALA C C 13 178.467 0.1 . 1 . 470 . . 151 ALA C . 18853 1 1675 . 1 1 151 151 ALA CA C 13 55.794 0.068 . 1 . 1449 . . 151 ALA CA . 18853 1 1676 . 1 1 151 151 ALA CB C 13 19.957 0.061 . 1 . 1068 . . 151 ALA CB . 18853 1 1677 . 1 1 151 151 ALA N N 15 122.156 0.042 . 1 . 270 . . 151 ALA N . 18853 1 1678 . 1 1 152 152 LEU H H 1 8.012 0.007 . 1 . 27 . . 152 LEU H . 18853 1 1679 . 1 1 152 152 LEU HA H 1 3.666 0.012 . 1 . 1805 . . 152 LEU HA . 18853 1 1680 . 1 1 152 152 LEU HB2 H 1 1.705 0.007 . 2 . 2730 . . 152 LEU HB2 . 18853 1 1681 . 1 1 152 152 LEU HB3 H 1 1.401 0.004 . 2 . 2729 . . 152 LEU HB3 . 18853 1 1682 . 1 1 152 152 LEU HD11 H 1 0.804 0.012 . 2 . 1801 . . 152 LEU HD11 . 18853 1 1683 . 1 1 152 152 LEU HD12 H 1 0.804 0.012 . 2 . 1801 . . 152 LEU HD12 . 18853 1 1684 . 1 1 152 152 LEU HD13 H 1 0.804 0.012 . 2 . 1801 . . 152 LEU HD13 . 18853 1 1685 . 1 1 152 152 LEU HD21 H 1 0.578 0.003 . 2 . 1802 . . 152 LEU HD21 . 18853 1 1686 . 1 1 152 152 LEU HD22 H 1 0.578 0.003 . 2 . 1802 . . 152 LEU HD22 . 18853 1 1687 . 1 1 152 152 LEU HD23 H 1 0.578 0.003 . 2 . 1802 . . 152 LEU HD23 . 18853 1 1688 . 1 1 152 152 LEU C C 13 179.869 0.1 . 1 . 696 . . 152 LEU C . 18853 1 1689 . 1 1 152 152 LEU CA C 13 59.738 0.065 . 1 . 1450 . . 152 LEU CA . 18853 1 1690 . 1 1 152 152 LEU CB C 13 42.436 0.043 . 1 . 1502 . . 152 LEU CB . 18853 1 1691 . 1 1 152 152 LEU CD1 C 13 25.051 0.074 . 2 . 2658 . . 152 LEU CD1 . 18853 1 1692 . 1 1 152 152 LEU CD2 C 13 26.672 0.026 . 2 . 2409 . . 152 LEU CD2 . 18853 1 1693 . 1 1 152 152 LEU N N 15 119.460 0.033 . 1 . 28 . . 152 LEU N . 18853 1 1694 . 1 1 153 153 ILE H H 1 8.027 0.008 . 1 . 423 . . 153 ILE H . 18853 1 1695 . 1 1 153 153 ILE HA H 1 3.787 0.014 . 1 . 2380 . . 153 ILE HA . 18853 1 1696 . 1 1 153 153 ILE HB H 1 1.690 0.013 . 1 . 1799 . . 153 ILE HB . 18853 1 1697 . 1 1 153 153 ILE HG12 H 1 1.686 0.003 . 2 . 2731 . . 153 ILE HG12 . 18853 1 1698 . 1 1 153 153 ILE HG13 H 1 1.330 0.011 . 2 . 2733 . . 153 ILE HG13 . 18853 1 1699 . 1 1 153 153 ILE HG21 H 1 0.926 0.006 . 1 . 1796 . . 153 ILE HG21 . 18853 1 1700 . 1 1 153 153 ILE HG22 H 1 0.926 0.006 . 1 . 1796 . . 153 ILE HG22 . 18853 1 1701 . 1 1 153 153 ILE HG23 H 1 0.926 0.006 . 1 . 1796 . . 153 ILE HG23 . 18853 1 1702 . 1 1 153 153 ILE HD11 H 1 0.768 0.003 . 1 . 1798 . . 153 ILE HD11 . 18853 1 1703 . 1 1 153 153 ILE HD12 H 1 0.768 0.003 . 1 . 1798 . . 153 ILE HD12 . 18853 1 1704 . 1 1 153 153 ILE HD13 H 1 0.768 0.003 . 1 . 1798 . . 153 ILE HD13 . 18853 1 1705 . 1 1 153 153 ILE C C 13 178.830 0.1 . 1 . 653 . . 153 ILE C . 18853 1 1706 . 1 1 153 153 ILE CA C 13 65.455 0.098 . 1 . 1432 . . 153 ILE CA . 18853 1 1707 . 1 1 153 153 ILE CB C 13 39.745 0.073 . 1 . 1433 . . 153 ILE CB . 18853 1 1708 . 1 1 153 153 ILE CG1 C 13 30.995 0.035 . 1 . 2732 . . 153 ILE CG1 . 18853 1 1709 . 1 1 153 153 ILE CG2 C 13 17.675 0.055 . 1 . 2381 . . 153 ILE CG2 . 18853 1 1710 . 1 1 153 153 ILE CD1 C 13 16.853 0.086 . 1 . 1501 . . 153 ILE CD1 . 18853 1 1711 . 1 1 153 153 ILE N N 15 120.460 0.045 . 1 . 424 . . 153 ILE N . 18853 1 1712 . 1 1 154 154 ALA H H 1 7.513 0.01 . 1 . 361 . . 154 ALA H . 18853 1 1713 . 1 1 154 154 ALA HA H 1 3.748 0.011 . 1 . 1795 . . 154 ALA HA . 18853 1 1714 . 1 1 154 154 ALA HB1 H 1 0.027 0.007 . 1 . 2240 . . 154 ALA HB1 . 18853 1 1715 . 1 1 154 154 ALA HB2 H 1 0.027 0.007 . 1 . 2240 . . 154 ALA HB2 . 18853 1 1716 . 1 1 154 154 ALA HB3 H 1 0.027 0.007 . 1 . 2240 . . 154 ALA HB3 . 18853 1 1717 . 1 1 154 154 ALA C C 13 178.558 0.1 . 1 . 699 . . 154 ALA C . 18853 1 1718 . 1 1 154 154 ALA CA C 13 54.718 0.077 . 1 . 1498 . . 154 ALA CA . 18853 1 1719 . 1 1 154 154 ALA CB C 13 17.532 0.042 . 1 . 1499 . . 154 ALA CB . 18853 1 1720 . 1 1 154 154 ALA N N 15 122.076 0.031 . 1 . 362 . . 154 ALA N . 18853 1 1721 . 1 1 155 155 GLN H H 1 7.499 0.009 . 1 . 429 . . 155 GLN H . 18853 1 1722 . 1 1 155 155 GLN HA H 1 3.685 0.005 . 1 . 1791 . . 155 GLN HA . 18853 1 1723 . 1 1 155 155 GLN HB2 H 1 2.021 0.006 . 2 . 2464 . . 155 GLN HB2 . 18853 1 1724 . 1 1 155 155 GLN HB3 H 1 1.983 0.007 . 2 . 1792 . . 155 GLN HB3 . 18853 1 1725 . 1 1 155 155 GLN HG2 H 1 2.211 0.01 . 2 . 1794 . . 155 GLN HG2 . 18853 1 1726 . 1 1 155 155 GLN HG3 H 1 2.378 0.027 . 2 . 1793 . . 155 GLN HG3 . 18853 1 1727 . 1 1 155 155 GLN C C 13 177.030 0.1 . 1 . 704 . . 155 GLN C . 18853 1 1728 . 1 1 155 155 GLN CA C 13 58.895 0.056 . 1 . 870 . . 155 GLN CA . 18853 1 1729 . 1 1 155 155 GLN CB C 13 30.870 0.075 . 1 . 1470 . . 155 GLN CB . 18853 1 1730 . 1 1 155 155 GLN N N 15 115.405 0.039 . 1 . 430 . . 155 GLN N . 18853 1 1731 . 1 1 156 156 GLU H H 1 7.276 0.008 . 1 . 439 . . 156 GLU H . 18853 1 1732 . 1 1 156 156 GLU HA H 1 3.719 0.004 . 1 . 1790 . . 156 GLU HA . 18853 1 1733 . 1 1 156 156 GLU CA C 13 63.926 0.076 . 1 . 874 . . 156 GLU CA . 18853 1 1734 . 1 1 156 156 GLU N N 15 117.748 0.053 . 1 . 440 . . 156 GLU N . 18853 1 1735 . 1 1 157 157 PRO HA H 1 4.147 0.006 . 1 . 2694 . . 157 PRO HA . 18853 1 1736 . 1 1 157 157 PRO HB2 H 1 2.316 0.005 . 2 . 1788 . . 157 PRO HB2 . 18853 1 1737 . 1 1 157 157 PRO HB3 H 1 1.736 0.004 . 2 . 2646 . . 157 PRO HB3 . 18853 1 1738 . 1 1 157 157 PRO HD2 H 1 3.643 0.002 . 2 . 2695 . . 157 PRO HD2 . 18853 1 1739 . 1 1 157 157 PRO HD3 H 1 3.716 0.004 . 2 . 1789 . . 157 PRO HD3 . 18853 1 1740 . 1 1 157 157 PRO C C 13 177.542 0.1 . 1 . 665 . . 157 PRO C . 18853 1 1741 . 1 1 157 157 PRO CA C 13 66.127 0.055 . 1 . 1051 . . 157 PRO CA . 18853 1 1742 . 1 1 157 157 PRO CB C 13 32.478 0.067 . 1 . 1050 . . 157 PRO CB . 18853 1 1743 . 1 1 157 157 PRO CG C 13 28.837 0.1 . 1 . 1269 . . 157 PRO CG . 18853 1 1744 . 1 1 157 157 PRO CD C 13 51.252 0.068 . 1 . 1270 . . 157 PRO CD . 18853 1 1745 . 1 1 158 158 LEU H H 1 7.886 0.008 . 1 . 381 . . 158 LEU H . 18853 1 1746 . 1 1 158 158 LEU HA H 1 4.239 0.007 . 1 . 1785 . . 158 LEU HA . 18853 1 1747 . 1 1 158 158 LEU HB2 H 1 2.004 0.009 . 2 . 2286 . . 158 LEU HB2 . 18853 1 1748 . 1 1 158 158 LEU HB3 H 1 1.720 0.014 . 2 . 1787 . . 158 LEU HB3 . 18853 1 1749 . 1 1 158 158 LEU HG H 1 1.622 0.004 . 1 . 2669 . . 158 LEU HG . 18853 1 1750 . 1 1 158 158 LEU HD11 H 1 0.928 0.006 . 2 . 1786 . . 158 LEU HD11 . 18853 1 1751 . 1 1 158 158 LEU HD12 H 1 0.928 0.006 . 2 . 1786 . . 158 LEU HD12 . 18853 1 1752 . 1 1 158 158 LEU HD13 H 1 0.928 0.006 . 2 . 1786 . . 158 LEU HD13 . 18853 1 1753 . 1 1 158 158 LEU HD21 H 1 1.117 0.009 . 2 . 2287 . . 158 LEU HD21 . 18853 1 1754 . 1 1 158 158 LEU HD22 H 1 1.117 0.009 . 2 . 2287 . . 158 LEU HD22 . 18853 1 1755 . 1 1 158 158 LEU HD23 H 1 1.117 0.009 . 2 . 2287 . . 158 LEU HD23 . 18853 1 1756 . 1 1 158 158 LEU C C 13 177.235 0.1 . 1 . 522 . . 158 LEU C . 18853 1 1757 . 1 1 158 158 LEU CA C 13 55.730 0.054 . 1 . 840 . . 158 LEU CA . 18853 1 1758 . 1 1 158 158 LEU CB C 13 43.104 0.08 . 1 . 841 . . 158 LEU CB . 18853 1 1759 . 1 1 158 158 LEU CD1 C 13 23.396 0.04 . 2 . 1272 . . 158 LEU CD1 . 18853 1 1760 . 1 1 158 158 LEU CD2 C 13 27.494 0.028 . 2 . 1271 . . 158 LEU CD2 . 18853 1 1761 . 1 1 158 158 LEU N N 15 115.847 0.039 . 1 . 382 . . 158 LEU N . 18853 1 1762 . 1 1 159 159 LEU H H 1 7.227 0.006 . 1 . 129 . . 159 LEU H . 18853 1 1763 . 1 1 159 159 LEU HA H 1 4.426 0.006 . 1 . 1782 . . 159 LEU HA . 18853 1 1764 . 1 1 159 159 LEU HB2 H 1 1.817 0.016 . 2 . 1784 . . 159 LEU HB2 . 18853 1 1765 . 1 1 159 159 LEU HB3 H 1 1.445 0.007 . 2 . 2408 . . 159 LEU HB3 . 18853 1 1766 . 1 1 159 159 LEU HG H 1 1.842 0.005 . 1 . 2407 . . 159 LEU HG . 18853 1 1767 . 1 1 159 159 LEU HD11 H 1 0.777 0.008 . 2 . 2406 . . 159 LEU HD11 . 18853 1 1768 . 1 1 159 159 LEU HD12 H 1 0.777 0.008 . 2 . 2406 . . 159 LEU HD12 . 18853 1 1769 . 1 1 159 159 LEU HD13 H 1 0.777 0.008 . 2 . 2406 . . 159 LEU HD13 . 18853 1 1770 . 1 1 159 159 LEU HD21 H 1 0.754 0.007 . 2 . 1783 . . 159 LEU HD21 . 18853 1 1771 . 1 1 159 159 LEU HD22 H 1 0.754 0.007 . 2 . 1783 . . 159 LEU HD22 . 18853 1 1772 . 1 1 159 159 LEU HD23 H 1 0.754 0.007 . 2 . 1783 . . 159 LEU HD23 . 18853 1 1773 . 1 1 159 159 LEU C C 13 177.692 0.063 . 1 . 698 . . 159 LEU C . 18853 1 1774 . 1 1 159 159 LEU CA C 13 54.783 0.093 . 1 . 796 . . 159 LEU CA . 18853 1 1775 . 1 1 159 159 LEU CB C 13 44.903 0.085 . 1 . 797 . . 159 LEU CB . 18853 1 1776 . 1 1 159 159 LEU CG C 13 26.359 0.062 . 1 . 1274 . . 159 LEU CG . 18853 1 1777 . 1 1 159 159 LEU CD1 C 13 27.965 0.03 . 2 . 1273 . . 159 LEU CD1 . 18853 1 1778 . 1 1 159 159 LEU CD2 C 13 22.258 0.019 . 2 . 1275 . . 159 LEU CD2 . 18853 1 1779 . 1 1 159 159 LEU N N 15 118.492 0.034 . 1 . 130 . . 159 LEU N . 18853 1 1780 . 1 1 160 160 GLY H H 1 8.617 0.008 . 1 . 427 . . 160 GLY H . 18853 1 1781 . 1 1 160 160 GLY HA2 H 1 4.232 0.006 . 2 . 1780 . . 160 GLY HA2 . 18853 1 1782 . 1 1 160 160 GLY HA3 H 1 3.860 0.005 . 2 . 1781 . . 160 GLY HA3 . 18853 1 1783 . 1 1 160 160 GLY C C 13 174.301 0.031 . 1 . 494 . . 160 GLY C . 18853 1 1784 . 1 1 160 160 GLY CA C 13 45.176 0.084 . 1 . 869 . . 160 GLY CA . 18853 1 1785 . 1 1 160 160 GLY N N 15 108.256 0.035 . 1 . 428 . . 160 GLY N . 18853 1 1786 . 1 1 161 161 ALA H H 1 8.318 0.007 . 1 . 65 . . 161 ALA H . 18853 1 1787 . 1 1 161 161 ALA HA H 1 3.861 0.005 . 1 . 1778 . . 161 ALA HA . 18853 1 1788 . 1 1 161 161 ALA HB1 H 1 1.451 0.004 . 1 . 1779 . . 161 ALA HB1 . 18853 1 1789 . 1 1 161 161 ALA HB2 H 1 1.451 0.004 . 1 . 1779 . . 161 ALA HB2 . 18853 1 1790 . 1 1 161 161 ALA HB3 H 1 1.451 0.004 . 1 . 1779 . . 161 ALA HB3 . 18853 1 1791 . 1 1 161 161 ALA C C 13 180.026 0.1 . 1 . 646 . . 161 ALA C . 18853 1 1792 . 1 1 161 161 ALA CA C 13 57.297 0.066 . 1 . 899 . . 161 ALA CA . 18853 1 1793 . 1 1 161 161 ALA CB C 13 19.937 0.07 . 1 . 900 . . 161 ALA CB . 18853 1 1794 . 1 1 161 161 ALA N N 15 121.244 0.045 . 1 . 66 . . 161 ALA N . 18853 1 1795 . 1 1 162 162 LYS H H 1 8.414 0.009 . 1 . 346 . . 162 LYS H . 18853 1 1796 . 1 1 162 162 LYS HA H 1 4.121 0.008 . 1 . 1770 . . 162 LYS HA . 18853 1 1797 . 1 1 162 162 LYS HB2 H 1 1.842 0.004 . 2 . 2500 . . 162 LYS HB2 . 18853 1 1798 . 1 1 162 162 LYS HB3 H 1 1.836 0.005 . 2 . 1771 . . 162 LYS HB3 . 18853 1 1799 . 1 1 162 162 LYS HG2 H 1 1.412 0.009 . 2 . 1773 . . 162 LYS HG2 . 18853 1 1800 . 1 1 162 162 LYS HG3 H 1 1.496 0.006 . 2 . 1772 . . 162 LYS HG3 . 18853 1 1801 . 1 1 162 162 LYS HD2 H 1 1.680 0.007 . 2 . 2501 . . 162 LYS HD2 . 18853 1 1802 . 1 1 162 162 LYS HD3 H 1 1.686 0.004 . 2 . 1774 . . 162 LYS HD3 . 18853 1 1803 . 1 1 162 162 LYS HE2 H 1 2.987 0.004 . 2 . 2499 . . 162 LYS HE2 . 18853 1 1804 . 1 1 162 162 LYS HE3 H 1 2.981 0.006 . 2 . 2498 . . 162 LYS HE3 . 18853 1 1805 . 1 1 162 162 LYS C C 13 178.245 0.024 . 1 . 590 . . 162 LYS C . 18853 1 1806 . 1 1 162 162 LYS CA C 13 59.756 0.064 . 1 . 821 . . 162 LYS CA . 18853 1 1807 . 1 1 162 162 LYS CB C 13 32.974 0.048 . 1 . 820 . . 162 LYS CB . 18853 1 1808 . 1 1 162 162 LYS CG C 13 26.045 0.032 . 1 . 1278 . . 162 LYS CG . 18853 1 1809 . 1 1 162 162 LYS CD C 13 29.999 0.067 . 1 . 1277 . . 162 LYS CD . 18853 1 1810 . 1 1 162 162 LYS CE C 13 43.112 0.012 . 1 . 1276 . . 162 LYS CE . 18853 1 1811 . 1 1 162 162 LYS N N 15 116.072 0.036 . 1 . 347 . . 162 LYS N . 18853 1 1812 . 1 1 163 163 GLU H H 1 7.952 0.007 . 1 . 253 . . 163 GLU H . 18853 1 1813 . 1 1 163 163 GLU HA H 1 4.302 0.006 . 1 . 1769 . . 163 GLU HA . 18853 1 1814 . 1 1 163 163 GLU HB2 H 1 2.115 0.013 . 2 . 1777 . . 163 GLU HB2 . 18853 1 1815 . 1 1 163 163 GLU HB3 H 1 2.152 0.012 . 2 . 2441 . . 163 GLU HB3 . 18853 1 1816 . 1 1 163 163 GLU HG2 H 1 2.423 0.006 . 2 . 1775 . . 163 GLU HG2 . 18853 1 1817 . 1 1 163 163 GLU HG3 H 1 2.200 0.007 . 2 . 1776 . . 163 GLU HG3 . 18853 1 1818 . 1 1 163 163 GLU C C 13 178.105 0.03 . 1 . 682 . . 163 GLU C . 18853 1 1819 . 1 1 163 163 GLU CA C 13 59.176 0.099 . 1 . 1049 . . 163 GLU CA . 18853 1 1820 . 1 1 163 163 GLU CB C 13 31.563 0.057 . 1 . 1048 . . 163 GLU CB . 18853 1 1821 . 1 1 163 163 GLU CG C 13 38.049 0.079 . 1 . 1282 . . 163 GLU CG . 18853 1 1822 . 1 1 163 163 GLU N N 15 118.019 0.032 . 1 . 254 . . 163 GLU N . 18853 1 1823 . 1 1 164 164 LYS H H 1 8.087 0.005 . 1 . 405 . . 164 LYS H . 18853 1 1824 . 1 1 164 164 LYS HA H 1 3.795 0.004 . 1 . 2495 . . 164 LYS HA . 18853 1 1825 . 1 1 164 164 LYS HB2 H 1 1.738 0.005 . 2 . 2496 . . 164 LYS HB2 . 18853 1 1826 . 1 1 164 164 LYS HB3 H 1 1.834 0.007 . 2 . 1767 . . 164 LYS HB3 . 18853 1 1827 . 1 1 164 164 LYS HG2 H 1 1.597 0.009 . 2 . 1768 . . 164 LYS HG2 . 18853 1 1828 . 1 1 164 164 LYS HG3 H 1 1.530 0.019 . 2 . 2497 . . 164 LYS HG3 . 18853 1 1829 . 1 1 164 164 LYS HE2 H 1 3.068 0.005 . 2 . 2740 . . 164 LYS HE2 . 18853 1 1830 . 1 1 164 164 LYS HE3 H 1 2.939 0.008 . 2 . 2741 . . 164 LYS HE3 . 18853 1 1831 . 1 1 164 164 LYS C C 13 178.179 0.1 . 1 . 669 . . 164 LYS C . 18853 1 1832 . 1 1 164 164 LYS CA C 13 61.641 0.094 . 1 . 856 . . 164 LYS CA . 18853 1 1833 . 1 1 164 164 LYS CB C 13 34.192 0.08 . 1 . 855 . . 164 LYS CB . 18853 1 1834 . 1 1 164 164 LYS CG C 13 26.498 0.075 . 1 . 1280 . . 164 LYS CG . 18853 1 1835 . 1 1 164 164 LYS CD C 13 27.215 0.1 . 1 . 1279 . . 164 LYS CD . 18853 1 1836 . 1 1 164 164 LYS CE C 13 42.801 0.096 . 1 . 1281 . . 164 LYS CE . 18853 1 1837 . 1 1 164 164 LYS N N 15 120.588 0.063 . 1 . 406 . . 164 LYS N . 18853 1 1838 . 1 1 165 165 GLN H H 1 8.116 0.009 . 1 . 389 . . 165 GLN H . 18853 1 1839 . 1 1 165 165 GLN HA H 1 3.854 0.006 . 1 . 1766 . . 165 GLN HA . 18853 1 1840 . 1 1 165 165 GLN HB2 H 1 2.221 0.009 . 2 . 1764 . . 165 GLN HB2 . 18853 1 1841 . 1 1 165 165 GLN HB3 H 1 2.059 0.013 . 2 . 1765 . . 165 GLN HB3 . 18853 1 1842 . 1 1 165 165 GLN HG3 H 1 2.405 0.007 . 1 . 1763 . . 165 GLN HG3 . 18853 1 1843 . 1 1 165 165 GLN C C 13 177.562 0.1 . 1 . 706 . . 165 GLN C . 18853 1 1844 . 1 1 165 165 GLN CA C 13 59.881 0.082 . 1 . 1053 . . 165 GLN CA . 18853 1 1845 . 1 1 165 165 GLN CB C 13 29.579 0.09 . 1 . 1340 . . 165 GLN CB . 18853 1 1846 . 1 1 165 165 GLN N N 15 118.241 0.031 . 1 . 390 . . 165 GLN N . 18853 1 1847 . 1 1 166 166 GLN H H 1 7.684 0.009 . 1 . 443 . . 166 GLN H . 18853 1 1848 . 1 1 166 166 GLN HA H 1 4.145 0.004 . 1 . 1762 . . 166 GLN HA . 18853 1 1849 . 1 1 166 166 GLN HB2 H 1 2.202 0.004 . 2 . 1761 . . 166 GLN HB2 . 18853 1 1850 . 1 1 166 166 GLN HB3 H 1 2.097 0.005 . 2 . 1760 . . 166 GLN HB3 . 18853 1 1851 . 1 1 166 166 GLN HG2 H 1 2.447 0.013 . 2 . 1759 . . 166 GLN HG2 . 18853 1 1852 . 1 1 166 166 GLN HG3 H 1 2.469 0.006 . 2 . 2347 . . 166 GLN HG3 . 18853 1 1853 . 1 1 166 166 GLN HE21 H 1 7.385 0.01 . 1 . 2346 . . 166 GLN HE21 . 18853 1 1854 . 1 1 166 166 GLN HE22 H 1 6.785 0.008 . 1 . 2344 . . 166 GLN HE22 . 18853 1 1855 . 1 1 166 166 GLN C C 13 178.559 0.1 . 1 . 504 . . 166 GLN C . 18853 1 1856 . 1 1 166 166 GLN CA C 13 60.066 0.076 . 1 . 876 . . 166 GLN CA . 18853 1 1857 . 1 1 166 166 GLN CB C 13 29.092 0.074 . 1 . 1183 . . 166 GLN CB . 18853 1 1858 . 1 1 166 166 GLN CG C 13 34.961 0.104 . 1 . 1283 . . 166 GLN CG . 18853 1 1859 . 1 1 166 166 GLN CD C 13 180.234 0.001 . 1 . 2354 . . 166 GLN CD . 18853 1 1860 . 1 1 166 166 GLN N N 15 116.724 0.045 . 1 . 444 . . 166 GLN N . 18853 1 1861 . 1 1 166 166 GLN NE2 N 15 110.916 0.0 . 1 . 2345 . . 166 GLN NE2 . 18853 1 1862 . 1 1 167 167 ASN H H 1 7.373 0.006 . 1 . 91 . . 167 ASN H . 18853 1 1863 . 1 1 167 167 ASN HA H 1 4.291 0.011 . 1 . 1755 . . 167 ASN HA . 18853 1 1864 . 1 1 167 167 ASN HB2 H 1 2.778 0.007 . 2 . 1757 . . 167 ASN HB2 . 18853 1 1865 . 1 1 167 167 ASN HB3 H 1 2.553 0.009 . 2 . 1758 . . 167 ASN HB3 . 18853 1 1866 . 1 1 167 167 ASN C C 13 178.110 0.1 . 1 . 553 . . 167 ASN C . 18853 1 1867 . 1 1 167 167 ASN CA C 13 58.000 0.103 . 1 . 1284 . . 167 ASN CA . 18853 1 1868 . 1 1 167 167 ASN CB C 13 41.224 0.091 . 1 . 1052 . . 167 ASN CB . 18853 1 1869 . 1 1 167 167 ASN N N 15 121.763 0.036 . 1 . 92 . . 167 ASN N . 18853 1 1870 . 1 1 168 168 ILE H H 1 8.636 0.005 . 1 . 179 . . 168 ILE H . 18853 1 1871 . 1 1 168 168 ILE HA H 1 3.622 0.006 . 1 . 1750 . . 168 ILE HA . 18853 1 1872 . 1 1 168 168 ILE HB H 1 2.068 0.009 . 1 . 1751 . . 168 ILE HB . 18853 1 1873 . 1 1 168 168 ILE HG12 H 1 1.460 0.006 . 2 . 1753 . . 168 ILE HG12 . 18853 1 1874 . 1 1 168 168 ILE HG13 H 1 1.821 0.007 . 2 . 1752 . . 168 ILE HG13 . 18853 1 1875 . 1 1 168 168 ILE HG21 H 1 1.290 0.005 . 1 . 1756 . . 168 ILE HG21 . 18853 1 1876 . 1 1 168 168 ILE HG22 H 1 1.290 0.005 . 1 . 1756 . . 168 ILE HG22 . 18853 1 1877 . 1 1 168 168 ILE HG23 H 1 1.290 0.005 . 1 . 1756 . . 168 ILE HG23 . 18853 1 1878 . 1 1 168 168 ILE HD11 H 1 1.012 0.004 . 1 . 1754 . . 168 ILE HD11 . 18853 1 1879 . 1 1 168 168 ILE HD12 H 1 1.012 0.004 . 1 . 1754 . . 168 ILE HD12 . 18853 1 1880 . 1 1 168 168 ILE HD13 H 1 1.012 0.004 . 1 . 1754 . . 168 ILE HD13 . 18853 1 1881 . 1 1 168 168 ILE C C 13 178.556 0.1 . 1 . 484 . . 168 ILE C . 18853 1 1882 . 1 1 168 168 ILE CA C 13 66.225 0.068 . 1 . 1184 . . 168 ILE CA . 18853 1 1883 . 1 1 168 168 ILE CB C 13 38.960 0.074 . 1 . 1185 . . 168 ILE CB . 18853 1 1884 . 1 1 168 168 ILE CG1 C 13 31.054 0.086 . 1 . 1286 . . 168 ILE CG1 . 18853 1 1885 . 1 1 168 168 ILE CG2 C 13 18.642 0.07 . 1 . 1287 . . 168 ILE CG2 . 18853 1 1886 . 1 1 168 168 ILE CD1 C 13 13.885 0.077 . 1 . 1288 . . 168 ILE CD1 . 18853 1 1887 . 1 1 168 168 ILE N N 15 127.518 0.04 . 1 . 180 . . 168 ILE N . 18853 1 1888 . 1 1 169 169 ASP H H 1 8.959 0.007 . 1 . 49 . . 169 ASP H . 18853 1 1889 . 1 1 169 169 ASP HA H 1 4.664 0.006 . 1 . 2707 . . 169 ASP HA . 18853 1 1890 . 1 1 169 169 ASP HB2 H 1 2.698 0.003 . 2 . 1748 . . 169 ASP HB2 . 18853 1 1891 . 1 1 169 169 ASP HB3 H 1 2.807 0.008 . 2 . 1749 . . 169 ASP HB3 . 18853 1 1892 . 1 1 169 169 ASP C C 13 179.897 0.001 . 1 . 506 . . 169 ASP C . 18853 1 1893 . 1 1 169 169 ASP CA C 13 58.722 0.108 . 1 . 1285 . . 169 ASP CA . 18853 1 1894 . 1 1 169 169 ASP CB C 13 39.890 0.027 . 1 . 1235 . . 169 ASP CB . 18853 1 1895 . 1 1 169 169 ASP N N 15 122.351 0.035 . 1 . 50 . . 169 ASP N . 18853 1 1896 . 1 1 170 170 ALA H H 1 8.197 0.005 . 1 . 95 . . 170 ALA H . 18853 1 1897 . 1 1 170 170 ALA HA H 1 4.078 0.004 . 1 . 2244 . . 170 ALA HA . 18853 1 1898 . 1 1 170 170 ALA HB1 H 1 1.459 0.004 . 1 . 1747 . . 170 ALA HB1 . 18853 1 1899 . 1 1 170 170 ALA HB2 H 1 1.459 0.004 . 1 . 1747 . . 170 ALA HB2 . 18853 1 1900 . 1 1 170 170 ALA HB3 H 1 1.459 0.004 . 1 . 1747 . . 170 ALA HB3 . 18853 1 1901 . 1 1 170 170 ALA C C 13 180.406 0.1 . 1 . 629 . . 170 ALA C . 18853 1 1902 . 1 1 170 170 ALA CA C 13 55.981 0.088 . 1 . 896 . . 170 ALA CA . 18853 1 1903 . 1 1 170 170 ALA CB C 13 19.141 0.038 . 1 . 895 . . 170 ALA CB . 18853 1 1904 . 1 1 170 170 ALA N N 15 124.814 0.028 . 1 . 96 . . 170 ALA N . 18853 1 1905 . 1 1 171 171 THR H H 1 8.138 0.006 . 1 . 312 . . 171 THR H . 18853 1 1906 . 1 1 171 171 THR HA H 1 3.369 0.011 . 1 . 2264 . . 171 THR HA . 18853 1 1907 . 1 1 171 171 THR HB H 1 3.932 0.011 . 1 . 2263 . . 171 THR HB . 18853 1 1908 . 1 1 171 171 THR HG21 H 1 -0.334 0.005 . 1 . 2238 . . 171 THR HG21 . 18853 1 1909 . 1 1 171 171 THR HG22 H 1 -0.334 0.005 . 1 . 2238 . . 171 THR HG22 . 18853 1 1910 . 1 1 171 171 THR HG23 H 1 -0.334 0.005 . 1 . 2238 . . 171 THR HG23 . 18853 1 1911 . 1 1 171 171 THR C C 13 175.278 0.1 . 1 . 645 . . 171 THR C . 18853 1 1912 . 1 1 171 171 THR CA C 13 67.917 0.131 . 1 . 1488 . . 171 THR CA . 18853 1 1913 . 1 1 171 171 THR CB C 13 69.223 0.117 . 1 . 2262 . . 171 THR CB . 18853 1 1914 . 1 1 171 171 THR CG2 C 13 18.915 0.062 . 1 . 2239 . . 171 THR CG2 . 18853 1 1915 . 1 1 171 171 THR N N 15 119.850 0.065 . 1 . 313 . . 171 THR N . 18853 1 1916 . 1 1 172 172 TRP H H 1 8.194 0.006 . 1 . 344 . . 172 TRP H . 18853 1 1917 . 1 1 172 172 TRP HA H 1 4.124 0.008 . 1 . 2565 . . 172 TRP HA . 18853 1 1918 . 1 1 172 172 TRP HB2 H 1 3.108 0.013 . 2 . 2670 . . 172 TRP HB2 . 18853 1 1919 . 1 1 172 172 TRP HB3 H 1 3.126 0.013 . 2 . 1746 . . 172 TRP HB3 . 18853 1 1920 . 1 1 172 172 TRP HD1 H 1 6.619 0.005 . 1 . 2555 . . 172 TRP HD1 . 18853 1 1921 . 1 1 172 172 TRP HE1 H 1 9.486 0.013 . 1 . 131 . . 172 TRP HE1 . 18853 1 1922 . 1 1 172 172 TRP HZ2 H 1 5.565 0.006 . 1 . 2579 . . 172 TRP HZ2 . 18853 1 1923 . 1 1 172 172 TRP HH2 H 1 6.508 0.008 . 1 . 2581 . . 172 TRP HH2 . 18853 1 1924 . 1 1 172 172 TRP C C 13 178.015 0.1 . 1 . 513 . . 172 TRP C . 18853 1 1925 . 1 1 172 172 TRP CA C 13 59.796 0.057 . 1 . 1486 . . 172 TRP CA . 18853 1 1926 . 1 1 172 172 TRP CB C 13 30.702 0.084 . 1 . 1487 . . 172 TRP CB . 18853 1 1927 . 1 1 172 172 TRP CD1 C 13 126.853 0.044 . 1 . 2556 . . 172 TRP CD1 . 18853 1 1928 . 1 1 172 172 TRP CZ2 C 13 114.853 0.118 . 1 . 2578 . . 172 TRP CZ2 . 18853 1 1929 . 1 1 172 172 TRP CH2 C 13 124.124 0.113 . 1 . 2580 . . 172 TRP CH2 . 18853 1 1930 . 1 1 172 172 TRP N N 15 120.377 0.043 . 1 . 345 . . 172 TRP N . 18853 1 1931 . 1 1 172 172 TRP NE1 N 15 127.212 0.015 . 1 . 132 . . 172 TRP NE1 . 18853 1 1932 . 1 1 173 173 GLN H H 1 8.586 0.006 . 1 . 109 . . 173 GLN H . 18853 1 1933 . 1 1 173 173 GLN HA H 1 3.394 0.009 . 1 . 2242 . . 173 GLN HA . 18853 1 1934 . 1 1 173 173 GLN HB2 H 1 1.981 0.011 . 2 . 2339 . . 173 GLN HB2 . 18853 1 1935 . 1 1 173 173 GLN HB3 H 1 1.993 0.012 . 2 . 1744 . . 173 GLN HB3 . 18853 1 1936 . 1 1 173 173 GLN HG2 H 1 2.197 0.01 . 2 . 2338 . . 173 GLN HG2 . 18853 1 1937 . 1 1 173 173 GLN HG3 H 1 2.203 0.004 . 2 . 1745 . . 173 GLN HG3 . 18853 1 1938 . 1 1 173 173 GLN HE21 H 1 6.628 0.008 . 1 . 2333 . . 173 GLN HE21 . 18853 1 1939 . 1 1 173 173 GLN HE22 H 1 7.238 0.009 . 1 . 2336 . . 173 GLN HE22 . 18853 1 1940 . 1 1 173 173 GLN C C 13 177.663 0.1 . 1 . 556 . . 173 GLN C . 18853 1 1941 . 1 1 173 173 GLN CA C 13 59.921 0.081 . 1 . 1370 . . 173 GLN CA . 18853 1 1942 . 1 1 173 173 GLN CB C 13 28.882 0.087 . 1 . 1369 . . 173 GLN CB . 18853 1 1943 . 1 1 173 173 GLN CG C 13 34.073 0.064 . 1 . 1371 . . 173 GLN CG . 18853 1 1944 . 1 1 173 173 GLN CD C 13 179.792 0.001 . 1 . 2337 . . 173 GLN CD . 18853 1 1945 . 1 1 173 173 GLN N N 15 121.409 0.062 . 1 . 110 . . 173 GLN N . 18853 1 1946 . 1 1 173 173 GLN NE2 N 15 111.190 0.002 . 1 . 2334 . . 173 GLN NE2 . 18853 1 1947 . 1 1 174 174 ALA H H 1 7.312 0.005 . 1 . 185 . . 174 ALA H . 18853 1 1948 . 1 1 174 174 ALA HA H 1 3.837 0.009 . 1 . 2241 . . 174 ALA HA . 18853 1 1949 . 1 1 174 174 ALA HB1 H 1 1.134 0.007 . 1 . 1742 . . 174 ALA HB1 . 18853 1 1950 . 1 1 174 174 ALA HB2 H 1 1.134 0.007 . 1 . 1742 . . 174 ALA HB2 . 18853 1 1951 . 1 1 174 174 ALA HB3 H 1 1.134 0.007 . 1 . 1742 . . 174 ALA HB3 . 18853 1 1952 . 1 1 174 174 ALA C C 13 178.901 0.1 . 1 . 571 . . 174 ALA C . 18853 1 1953 . 1 1 174 174 ALA CA C 13 56.045 0.096 . 1 . 818 . . 174 ALA CA . 18853 1 1954 . 1 1 174 174 ALA CB C 13 18.474 0.068 . 1 . 819 . . 174 ALA CB . 18853 1 1955 . 1 1 174 174 ALA N N 15 120.690 0.042 . 1 . 186 . . 174 ALA N . 18853 1 1956 . 1 1 175 175 LEU H H 1 7.458 0.009 . 1 . 215 . . 175 LEU H . 18853 1 1957 . 1 1 175 175 LEU HA H 1 3.581 0.007 . 1 . 2281 . . 175 LEU HA . 18853 1 1958 . 1 1 175 175 LEU HB2 H 1 0.563 0.01 . 2 . 2283 . . 175 LEU HB2 . 18853 1 1959 . 1 1 175 175 LEU HB3 H 1 1.039 0.008 . 2 . 2282 . . 175 LEU HB3 . 18853 1 1960 . 1 1 175 175 LEU HG H 1 1.432 0.005 . 1 . 2284 . . 175 LEU HG . 18853 1 1961 . 1 1 175 175 LEU HD11 H 1 0.587 0.006 . 2 . 1740 . . 175 LEU HD11 . 18853 1 1962 . 1 1 175 175 LEU HD12 H 1 0.587 0.006 . 2 . 1740 . . 175 LEU HD12 . 18853 1 1963 . 1 1 175 175 LEU HD13 H 1 0.587 0.006 . 2 . 1740 . . 175 LEU HD13 . 18853 1 1964 . 1 1 175 175 LEU HD21 H 1 0.731 0.007 . 2 . 1741 . . 175 LEU HD21 . 18853 1 1965 . 1 1 175 175 LEU HD22 H 1 0.731 0.007 . 2 . 1741 . . 175 LEU HD22 . 18853 1 1966 . 1 1 175 175 LEU HD23 H 1 0.731 0.007 . 2 . 1741 . . 175 LEU HD23 . 18853 1 1967 . 1 1 175 175 LEU C C 13 179.239 0.1 . 1 . 579 . . 175 LEU C . 18853 1 1968 . 1 1 175 175 LEU CA C 13 58.351 0.066 . 1 . 1153 . . 175 LEU CA . 18853 1 1969 . 1 1 175 175 LEU CB C 13 43.414 0.061 . 1 . 1080 . . 175 LEU CB . 18853 1 1970 . 1 1 175 175 LEU CG C 13 27.452 0.051 . 1 . 2285 . . 175 LEU CG . 18853 1 1971 . 1 1 175 175 LEU CD1 C 13 25.270 0.035 . 2 . 1290 . . 175 LEU CD1 . 18853 1 1972 . 1 1 175 175 LEU CD2 C 13 29.481 0.025 . 2 . 1289 . . 175 LEU CD2 . 18853 1 1973 . 1 1 175 175 LEU N N 15 116.300 0.038 . 1 . 216 . . 175 LEU N . 18853 1 1974 . 1 1 176 176 SER H H 1 7.750 0.007 . 1 . 231 . . 176 SER H . 18853 1 1975 . 1 1 176 176 SER HA H 1 3.372 0.006 . 1 . 2668 . . 176 SER HA . 18853 1 1976 . 1 1 176 176 SER HB2 H 1 1.802 0.012 . 2 . 1743 . . 176 SER HB2 . 18853 1 1977 . 1 1 176 176 SER HB3 H 1 2.960 0.007 . 2 . 2667 . . 176 SER HB3 . 18853 1 1978 . 1 1 176 176 SER C C 13 174.694 0.05 . 1 . 563 . . 176 SER C . 18853 1 1979 . 1 1 176 176 SER CA C 13 60.141 0.079 . 1 . 1073 . . 176 SER CA . 18853 1 1980 . 1 1 176 176 SER CB C 13 63.394 0.063 . 1 . 911 . . 176 SER CB . 18853 1 1981 . 1 1 176 176 SER N N 15 110.945 0.035 . 1 . 232 . . 176 SER N . 18853 1 1982 . 1 1 177 177 SER H H 1 7.017 0.005 . 1 . 201 . . 177 SER H . 18853 1 1983 . 1 1 177 177 SER HA H 1 4.530 0.007 . 1 . 1734 . . 177 SER HA . 18853 1 1984 . 1 1 177 177 SER HB2 H 1 3.858 0.012 . 2 . 1735 . . 177 SER HB2 . 18853 1 1985 . 1 1 177 177 SER HB3 H 1 3.897 0.011 . 2 . 2253 . . 177 SER HB3 . 18853 1 1986 . 1 1 177 177 SER C C 13 173.860 0.009 . 1 . 639 . . 177 SER C . 18853 1 1987 . 1 1 177 177 SER CA C 13 59.682 0.103 . 1 . 1112 . . 177 SER CA . 18853 1 1988 . 1 1 177 177 SER CB C 13 65.017 0.055 . 1 . 1074 . . 177 SER CB . 18853 1 1989 . 1 1 177 177 SER N N 15 116.277 0.063 . 1 . 202 . . 177 SER N . 18853 1 1990 . 1 1 178 178 MET H H 1 6.911 0.005 . 1 . 332 . . 178 MET H . 18853 1 1991 . 1 1 178 178 MET HA H 1 4.500 0.01 . 1 . 1733 . . 178 MET HA . 18853 1 1992 . 1 1 178 178 MET HB2 H 1 1.911 0.008 . 2 . 1739 . . 178 MET HB2 . 18853 1 1993 . 1 1 178 178 MET HB3 H 1 2.067 0.007 . 2 . 1738 . . 178 MET HB3 . 18853 1 1994 . 1 1 178 178 MET HG2 H 1 2.851 0.005 . 2 . 1736 . . 178 MET HG2 . 18853 1 1995 . 1 1 178 178 MET HG3 H 1 2.416 0.007 . 2 . 1737 . . 178 MET HG3 . 18853 1 1996 . 1 1 178 178 MET HE1 H 1 1.780 0.005 . 1 . 2375 . . 178 MET HE1 . 18853 1 1997 . 1 1 178 178 MET HE2 H 1 1.780 0.005 . 1 . 2375 . . 178 MET HE2 . 18853 1 1998 . 1 1 178 178 MET HE3 H 1 1.780 0.005 . 1 . 2375 . . 178 MET HE3 . 18853 1 1999 . 1 1 178 178 MET C C 13 175.783 0.031 . 1 . 499 . . 178 MET C . 18853 1 2000 . 1 1 178 178 MET CA C 13 57.042 0.05 . 1 . 1096 . . 178 MET CA . 18853 1 2001 . 1 1 178 178 MET CB C 13 35.912 0.058 . 1 . 1095 . . 178 MET CB . 18853 1 2002 . 1 1 178 178 MET CG C 13 33.623 0.073 . 1 . 1291 . . 178 MET CG . 18853 1 2003 . 1 1 178 178 MET CE C 13 17.664 0.045 . 1 . 2376 . . 178 MET CE . 18853 1 2004 . 1 1 178 178 MET N N 15 120.775 0.037 . 1 . 333 . . 178 MET N . 18853 1 2005 . 1 1 179 179 THR H H 1 8.137 0.008 . 1 . 77 . . 179 THR H . 18853 1 2006 . 1 1 179 179 THR HA H 1 4.450 0.007 . 1 . 1732 . . 179 THR HA . 18853 1 2007 . 1 1 179 179 THR HB H 1 4.629 0.008 . 1 . 2261 . . 179 THR HB . 18853 1 2008 . 1 1 179 179 THR HG21 H 1 1.312 0.005 . 1 . 1731 . . 179 THR HG21 . 18853 1 2009 . 1 1 179 179 THR HG22 H 1 1.312 0.005 . 1 . 1731 . . 179 THR HG22 . 18853 1 2010 . 1 1 179 179 THR HG23 H 1 1.312 0.005 . 1 . 1731 . . 179 THR HG23 . 18853 1 2011 . 1 1 179 179 THR C C 13 175.699 0.023 . 1 . 557 . . 179 THR C . 18853 1 2012 . 1 1 179 179 THR CA C 13 61.578 0.07 . 1 . 910 . . 179 THR CA . 18853 1 2013 . 1 1 179 179 THR CB C 13 71.841 0.119 . 1 . 909 . . 179 THR CB . 18853 1 2014 . 1 1 179 179 THR CG2 C 13 22.947 0.037 . 1 . 1292 . . 179 THR CG2 . 18853 1 2015 . 1 1 179 179 THR N N 15 111.039 0.044 . 1 . 78 . . 179 THR N . 18853 1 2016 . 1 1 180 180 GLN H H 1 8.580 0.011 . 1 . 187 . . 180 GLN H . 18853 1 2017 . 1 1 180 180 GLN HA H 1 3.441 0.01 . 1 . 2349 . . 180 GLN HA . 18853 1 2018 . 1 1 180 180 GLN HB2 H 1 1.305 0.014 . 2 . 2348 . . 180 GLN HB2 . 18853 1 2019 . 1 1 180 180 GLN HB3 H 1 1.636 0.007 . 2 . 1730 . . 180 GLN HB3 . 18853 1 2020 . 1 1 180 180 GLN HG2 H 1 1.734 0.01 . 2 . 1729 . . 180 GLN HG2 . 18853 1 2021 . 1 1 180 180 GLN HG3 H 1 1.739 0.008 . 2 . 2350 . . 180 GLN HG3 . 18853 1 2022 . 1 1 180 180 GLN HE21 H 1 7.201 0.017 . 1 . 956 . . 180 GLN HE21 . 18853 1 2023 . 1 1 180 180 GLN HE22 H 1 6.753 0.008 . 1 . 958 . . 180 GLN HE22 . 18853 1 2024 . 1 1 180 180 GLN C C 13 177.757 0.006 . 1 . 711 . . 180 GLN C . 18853 1 2025 . 1 1 180 180 GLN CA C 13 60.229 0.053 . 1 . 1093 . . 180 GLN CA . 18853 1 2026 . 1 1 180 180 GLN CB C 13 28.927 0.084 . 1 . 1094 . . 180 GLN CB . 18853 1 2027 . 1 1 180 180 GLN CG C 13 34.775 0.067 . 1 . 1337 . . 180 GLN CG . 18853 1 2028 . 1 1 180 180 GLN CD C 13 179.951 0.007 . 1 . 2353 . . 180 GLN CD . 18853 1 2029 . 1 1 180 180 GLN N N 15 121.747 0.056 . 1 . 188 . . 180 GLN N . 18853 1 2030 . 1 1 180 180 GLN NE2 N 15 111.695 0.001 . 1 . 957 . . 180 GLN NE2 . 18853 1 2031 . 1 1 181 181 GLU H H 1 8.324 0.006 . 1 . 453 . . 181 GLU H . 18853 1 2032 . 1 1 181 181 GLU HA H 1 3.940 0.006 . 1 . 1726 . . 181 GLU HA . 18853 1 2033 . 1 1 181 181 GLU HB2 H 1 1.972 0.004 . 2 . 2313 . . 181 GLU HB2 . 18853 1 2034 . 1 1 181 181 GLU HB3 H 1 1.871 0.004 . 2 . 2314 . . 181 GLU HB3 . 18853 1 2035 . 1 1 181 181 GLU HG2 H 1 2.236 0.005 . 2 . 1728 . . 181 GLU HG2 . 18853 1 2036 . 1 1 181 181 GLU HG3 H 1 2.308 0.005 . 2 . 1727 . . 181 GLU HG3 . 18853 1 2037 . 1 1 181 181 GLU C C 13 179.003 0.1 . 1 . 535 . . 181 GLU C . 18853 1 2038 . 1 1 181 181 GLU CA C 13 60.655 0.073 . 1 . 882 . . 181 GLU CA . 18853 1 2039 . 1 1 181 181 GLU CB C 13 29.637 0.077 . 1 . 884 . . 181 GLU CB . 18853 1 2040 . 1 1 181 181 GLU CG C 13 36.941 0.075 . 1 . 1336 . . 181 GLU CG . 18853 1 2041 . 1 1 181 181 GLU N N 15 117.621 0.027 . 1 . 454 . . 181 GLU N . 18853 1 2042 . 1 1 182 182 GLN H H 1 7.561 0.007 . 1 . 536 . . 182 GLN H . 18853 1 2043 . 1 1 182 182 GLN HA H 1 3.962 0.006 . 1 . 1724 . . 182 GLN HA . 18853 1 2044 . 1 1 182 182 GLN HB2 H 1 2.200 0.008 . 2 . 2462 . . 182 GLN HB2 . 18853 1 2045 . 1 1 182 182 GLN HB3 H 1 1.961 0.01 . 2 . 2461 . . 182 GLN HB3 . 18853 1 2046 . 1 1 182 182 GLN HG2 H 1 2.338 0.013 . 2 . 2463 . . 182 GLN HG2 . 18853 1 2047 . 1 1 182 182 GLN HG3 H 1 2.400 0.012 . 2 . 1725 . . 182 GLN HG3 . 18853 1 2048 . 1 1 182 182 GLN HE21 H 1 7.343 0.013 . 1 . 970 . . 182 GLN HE21 . 18853 1 2049 . 1 1 182 182 GLN HE22 H 1 6.575 0.004 . 1 . 972 . . 182 GLN HE22 . 18853 1 2050 . 1 1 182 182 GLN C C 13 179.169 0.004 . 1 . 540 . . 182 GLN C . 18853 1 2051 . 1 1 182 182 GLN CA C 13 59.323 0.085 . 1 . 1335 . . 182 GLN CA . 18853 1 2052 . 1 1 182 182 GLN CB C 13 29.701 0.102 . 1 . 1334 . . 182 GLN CB . 18853 1 2053 . 1 1 182 182 GLN CG C 13 34.917 0.073 . 1 . 1293 . . 182 GLN CG . 18853 1 2054 . 1 1 182 182 GLN CD C 13 179.977 0.0 . 1 . 2792 . . 182 GLN CD . 18853 1 2055 . 1 1 182 182 GLN N N 15 118.861 0.059 . 1 . 537 . . 182 GLN N . 18853 1 2056 . 1 1 182 182 GLN NE2 N 15 109.580 0.0 . 1 . 971 . . 182 GLN NE2 . 18853 1 2057 . 1 1 183 183 ALA H H 1 8.322 0.007 . 1 . 151 . . 183 ALA H . 18853 1 2058 . 1 1 183 183 ALA HA H 1 4.029 0.01 . 1 . 2362 . . 183 ALA HA . 18853 1 2059 . 1 1 183 183 ALA HB1 H 1 1.526 0.007 . 1 . 1723 . . 183 ALA HB1 . 18853 1 2060 . 1 1 183 183 ALA HB2 H 1 1.526 0.007 . 1 . 1723 . . 183 ALA HB2 . 18853 1 2061 . 1 1 183 183 ALA HB3 H 1 1.526 0.007 . 1 . 1723 . . 183 ALA HB3 . 18853 1 2062 . 1 1 183 183 ALA C C 13 179.346 0.004 . 1 . 663 . . 183 ALA C . 18853 1 2063 . 1 1 183 183 ALA CA C 13 55.872 0.078 . 1 . 897 . . 183 ALA CA . 18853 1 2064 . 1 1 183 183 ALA CB C 13 19.171 0.083 . 1 . 898 . . 183 ALA CB . 18853 1 2065 . 1 1 183 183 ALA N N 15 122.889 0.034 . 1 . 152 . . 183 ALA N . 18853 1 2066 . 1 1 184 184 ASN H H 1 7.973 0.007 . 1 . 377 . . 184 ASN H . 18853 1 2067 . 1 1 184 184 ASN HA H 1 4.622 0.005 . 1 . 1721 . . 184 ASN HA . 18853 1 2068 . 1 1 184 184 ASN HB2 H 1 2.855 0.013 . 2 . 1722 . . 184 ASN HB2 . 18853 1 2069 . 1 1 184 184 ASN HB3 H 1 2.870 0.007 . 2 . 2321 . . 184 ASN HB3 . 18853 1 2070 . 1 1 184 184 ASN HD21 H 1 6.729 0.008 . 1 . 981 . . 184 ASN HD21 . 18853 1 2071 . 1 1 184 184 ASN HD22 H 1 7.380 0.009 . 1 . 979 . . 184 ASN HD22 . 18853 1 2072 . 1 1 184 184 ASN C C 13 176.273 0.025 . 1 . 551 . . 184 ASN C . 18853 1 2073 . 1 1 184 184 ASN CA C 13 55.553 0.044 . 1 . 837 . . 184 ASN CA . 18853 1 2074 . 1 1 184 184 ASN CB C 13 39.691 0.056 . 1 . 1023 . . 184 ASN CB . 18853 1 2075 . 1 1 184 184 ASN CG C 13 176.341 0.002 . 1 . 2448 . . 184 ASN CG . 18853 1 2076 . 1 1 184 184 ASN N N 15 114.344 0.018 . 1 . 378 . . 184 ASN N . 18853 1 2077 . 1 1 184 184 ASN ND2 N 15 110.415 0.0 . 1 . 980 . . 184 ASN ND2 . 18853 1 2078 . 1 1 185 185 THR H H 1 7.506 0.005 . 1 . 175 . . 185 THR H . 18853 1 2079 . 1 1 185 185 THR HA H 1 4.392 0.006 . 1 . 2260 . . 185 THR HA . 18853 1 2080 . 1 1 185 185 THR HB H 1 4.411 0.007 . 1 . 1719 . . 185 THR HB . 18853 1 2081 . 1 1 185 185 THR HG21 H 1 1.279 0.009 . 1 . 1720 . . 185 THR HG21 . 18853 1 2082 . 1 1 185 185 THR HG22 H 1 1.279 0.009 . 1 . 1720 . . 185 THR HG22 . 18853 1 2083 . 1 1 185 185 THR HG23 H 1 1.279 0.009 . 1 . 1720 . . 185 THR HG23 . 18853 1 2084 . 1 1 185 185 THR C C 13 174.680 0.021 . 1 . 661 . . 185 THR C . 18853 1 2085 . 1 1 185 185 THR CA C 13 62.793 0.051 . 1 . 908 . . 185 THR CA . 18853 1 2086 . 1 1 185 185 THR CB C 13 71.047 0.079 . 1 . 907 . . 185 THR CB . 18853 1 2087 . 1 1 185 185 THR CG2 C 13 22.573 0.058 . 1 . 1294 . . 185 THR CG2 . 18853 1 2088 . 1 1 185 185 THR N N 15 108.274 0.027 . 1 . 176 . . 185 THR N . 18853 1 2089 . 1 1 186 186 LEU H H 1 7.122 0.004 . 1 . 371 . . 186 LEU H . 18853 1 2090 . 1 1 186 186 LEU HA H 1 4.206 0.005 . 1 . 1716 . . 186 LEU HA . 18853 1 2091 . 1 1 186 186 LEU HB2 H 1 1.196 0.006 . 2 . 2403 . . 186 LEU HB2 . 18853 1 2092 . 1 1 186 186 LEU HB3 H 1 1.890 0.006 . 2 . 2402 . . 186 LEU HB3 . 18853 1 2093 . 1 1 186 186 LEU HG H 1 1.967 0.009 . 1 . 2404 . . 186 LEU HG . 18853 1 2094 . 1 1 186 186 LEU HD11 H 1 0.769 0.006 . 2 . 1718 . . 186 LEU HD11 . 18853 1 2095 . 1 1 186 186 LEU HD12 H 1 0.769 0.006 . 2 . 1718 . . 186 LEU HD12 . 18853 1 2096 . 1 1 186 186 LEU HD13 H 1 0.769 0.006 . 2 . 1718 . . 186 LEU HD13 . 18853 1 2097 . 1 1 186 186 LEU HD21 H 1 0.854 0.006 . 2 . 1717 . . 186 LEU HD21 . 18853 1 2098 . 1 1 186 186 LEU HD22 H 1 0.854 0.006 . 2 . 1717 . . 186 LEU HD22 . 18853 1 2099 . 1 1 186 186 LEU HD23 H 1 0.854 0.006 . 2 . 1717 . . 186 LEU HD23 . 18853 1 2100 . 1 1 186 186 LEU C C 13 176.160 0.005 . 1 . 620 . . 186 LEU C . 18853 1 2101 . 1 1 186 186 LEU CA C 13 56.643 0.08 . 1 . 834 . . 186 LEU CA . 18853 1 2102 . 1 1 186 186 LEU CB C 13 42.925 0.07 . 1 . 833 . . 186 LEU CB . 18853 1 2103 . 1 1 186 186 LEU CG C 13 27.315 0.116 . 1 . 1295 . . 186 LEU CG . 18853 1 2104 . 1 1 186 186 LEU CD1 C 13 24.362 0.014 . 2 . 1296 . . 186 LEU CD1 . 18853 1 2105 . 1 1 186 186 LEU CD2 C 13 26.988 0.034 . 2 . 2405 . . 186 LEU CD2 . 18853 1 2106 . 1 1 186 186 LEU N N 15 122.302 0.031 . 1 . 372 . . 186 LEU N . 18853 1 2107 . 1 1 187 187 VAL H H 1 7.996 0.014 . 1 . 292 . . 187 VAL H . 18853 1 2108 . 1 1 187 187 VAL HA H 1 4.153 0.004 . 1 . 2363 . . 187 VAL HA . 18853 1 2109 . 1 1 187 187 VAL HB H 1 1.934 0.004 . 1 . 2364 . . 187 VAL HB . 18853 1 2110 . 1 1 187 187 VAL HG11 H 1 0.916 0.005 . 2 . 2366 . . 187 VAL HG11 . 18853 1 2111 . 1 1 187 187 VAL HG12 H 1 0.916 0.005 . 2 . 2366 . . 187 VAL HG12 . 18853 1 2112 . 1 1 187 187 VAL HG13 H 1 0.916 0.005 . 2 . 2366 . . 187 VAL HG13 . 18853 1 2113 . 1 1 187 187 VAL HG21 H 1 0.863 0.005 . 2 . 2365 . . 187 VAL HG21 . 18853 1 2114 . 1 1 187 187 VAL HG22 H 1 0.863 0.005 . 2 . 2365 . . 187 VAL HG22 . 18853 1 2115 . 1 1 187 187 VAL HG23 H 1 0.863 0.005 . 2 . 2365 . . 187 VAL HG23 . 18853 1 2116 . 1 1 187 187 VAL C C 13 175.052 0.004 . 1 . 586 . . 187 VAL C . 18853 1 2117 . 1 1 187 187 VAL CA C 13 63.192 0.075 . 1 . 1019 . . 187 VAL CA . 18853 1 2118 . 1 1 187 187 VAL CB C 13 33.817 0.026 . 1 . 1020 . . 187 VAL CB . 18853 1 2119 . 1 1 187 187 VAL CG1 C 13 21.744 0.029 . 2 . 1297 . . 187 VAL CG1 . 18853 1 2120 . 1 1 187 187 VAL CG2 C 13 22.098 0.018 . 2 . 2706 . . 187 VAL CG2 . 18853 1 2121 . 1 1 187 187 VAL N N 15 124.483 0.042 . 1 . 293 . . 187 VAL N . 18853 1 2122 . 1 1 188 188 ILE H H 1 7.979 0.011 . 1 . 746 . . 188 ILE H . 18853 1 2123 . 1 1 188 188 ILE HA H 1 4.412 0.007 . 1 . 1713 . . 188 ILE HA . 18853 1 2124 . 1 1 188 188 ILE HB H 1 2.028 0.004 . 1 . 2249 . . 188 ILE HB . 18853 1 2125 . 1 1 188 188 ILE HG12 H 1 1.276 0.005 . 2 . 2378 . . 188 ILE HG12 . 18853 1 2126 . 1 1 188 188 ILE HG13 H 1 1.035 0.006 . 2 . 1715 . . 188 ILE HG13 . 18853 1 2127 . 1 1 188 188 ILE HG21 H 1 0.828 0.008 . 1 . 1714 . . 188 ILE HG21 . 18853 1 2128 . 1 1 188 188 ILE HG22 H 1 0.828 0.008 . 1 . 1714 . . 188 ILE HG22 . 18853 1 2129 . 1 1 188 188 ILE HG23 H 1 0.828 0.008 . 1 . 1714 . . 188 ILE HG23 . 18853 1 2130 . 1 1 188 188 ILE HD11 H 1 0.807 0.004 . 1 . 2379 . . 188 ILE HD11 . 18853 1 2131 . 1 1 188 188 ILE HD12 H 1 0.807 0.004 . 1 . 2379 . . 188 ILE HD12 . 18853 1 2132 . 1 1 188 188 ILE HD13 H 1 0.807 0.004 . 1 . 2379 . . 188 ILE HD13 . 18853 1 2133 . 1 1 188 188 ILE C C 13 175.772 0.017 . 1 . 496 . . 188 ILE C . 18853 1 2134 . 1 1 188 188 ILE CA C 13 60.353 0.114 . 1 . 1018 . . 188 ILE CA . 18853 1 2135 . 1 1 188 188 ILE CB C 13 40.775 0.073 . 1 . 892 . . 188 ILE CB . 18853 1 2136 . 1 1 188 188 ILE CG1 C 13 26.772 0.078 . 1 . 1298 . . 188 ILE CG1 . 18853 1 2137 . 1 1 188 188 ILE CG2 C 13 19.367 0.059 . 1 . 1299 . . 188 ILE CG2 . 18853 1 2138 . 1 1 188 188 ILE CD1 C 13 14.879 0.05 . 1 . 1300 . . 188 ILE CD1 . 18853 1 2139 . 1 1 188 188 ILE N N 15 121.791 0.031 . 1 . 747 . . 188 ILE N . 18853 1 2140 . 1 1 189 189 ASN H H 1 9.585 0.013 . 1 . 69 . . 189 ASN H . 18853 1 2141 . 1 1 189 189 ASN HA H 1 4.891 0.004 . 1 . 1711 . . 189 ASN HA . 18853 1 2142 . 1 1 189 189 ASN HB2 H 1 2.911 0.018 . 2 . 1712 . . 189 ASN HB2 . 18853 1 2143 . 1 1 189 189 ASN HB3 H 1 2.929 0.008 . 2 . 2320 . . 189 ASN HB3 . 18853 1 2144 . 1 1 189 189 ASN HD21 H 1 7.593 0.008 . 1 . 923 . . 189 ASN HD21 . 18853 1 2145 . 1 1 189 189 ASN HD22 H 1 6.813 0.005 . 1 . 925 . . 189 ASN HD22 . 18853 1 2146 . 1 1 189 189 ASN C C 13 177.150 0.013 . 1 . 578 . . 189 ASN C . 18853 1 2147 . 1 1 189 189 ASN CA C 13 53.646 0.053 . 1 . 1017 . . 189 ASN CA . 18853 1 2148 . 1 1 189 189 ASN CB C 13 40.822 0.065 . 1 . 1025 . . 189 ASN CB . 18853 1 2149 . 1 1 189 189 ASN N N 15 122.251 0.034 . 1 . 70 . . 189 ASN N . 18853 1 2150 . 1 1 189 189 ASN ND2 N 15 113.235 0.001 . 1 . 924 . . 189 ASN ND2 . 18853 1 2151 . 1 1 190 190 ALA H H 1 8.552 0.009 . 1 . 229 . . 190 ALA H . 18853 1 2152 . 1 1 190 190 ALA HA H 1 4.040 0.008 . 1 . 1709 . . 190 ALA HA . 18853 1 2153 . 1 1 190 190 ALA HB1 H 1 1.429 0.006 . 1 . 1710 . . 190 ALA HB1 . 18853 1 2154 . 1 1 190 190 ALA HB2 H 1 1.429 0.006 . 1 . 1710 . . 190 ALA HB2 . 18853 1 2155 . 1 1 190 190 ALA HB3 H 1 1.429 0.006 . 1 . 1710 . . 190 ALA HB3 . 18853 1 2156 . 1 1 190 190 ALA C C 13 177.771 0.1 . 1 . 588 . . 190 ALA C . 18853 1 2157 . 1 1 190 190 ALA CA C 13 55.794 0.051 . 1 . 1021 . . 190 ALA CA . 18853 1 2158 . 1 1 190 190 ALA CB C 13 19.678 0.051 . 1 . 1022 . . 190 ALA CB . 18853 1 2159 . 1 1 190 190 ALA N N 15 122.787 0.033 . 1 . 230 . . 190 ALA N . 18853 1 2160 . 1 1 191 191 ASP H H 1 8.278 0.005 . 1 . 249 . . 191 ASP H . 18853 1 2161 . 1 1 191 191 ASP HA H 1 4.612 0.007 . 1 . 1706 . . 191 ASP HA . 18853 1 2162 . 1 1 191 191 ASP HB2 H 1 2.665 0.005 . 2 . 1708 . . 191 ASP HB2 . 18853 1 2163 . 1 1 191 191 ASP HB3 H 1 2.926 0.005 . 2 . 1707 . . 191 ASP HB3 . 18853 1 2164 . 1 1 191 191 ASP C C 13 177.341 0.002 . 1 . 460 . . 191 ASP C . 18853 1 2165 . 1 1 191 191 ASP CA C 13 54.570 0.041 . 1 . 1101 . . 191 ASP CA . 18853 1 2166 . 1 1 191 191 ASP CB C 13 40.640 0.042 . 1 . 1102 . . 191 ASP CB . 18853 1 2167 . 1 1 191 191 ASP N N 15 112.537 0.021 . 1 . 250 . . 191 ASP N . 18853 1 2168 . 1 1 192 192 GLU H H 1 7.581 0.005 . 1 . 11 . . 192 GLU H . 18853 1 2169 . 1 1 192 192 GLU HA H 1 4.606 0.009 . 1 . 1703 . . 192 GLU HA . 18853 1 2170 . 1 1 192 192 GLU HG2 H 1 2.035 0.008 . 2 . 1705 . . 192 GLU HG2 . 18853 1 2171 . 1 1 192 192 GLU HG3 H 1 2.327 0.007 . 2 . 1704 . . 192 GLU HG3 . 18853 1 2172 . 1 1 192 192 GLU C C 13 176.255 0.016 . 1 . 660 . . 192 GLU C . 18853 1 2173 . 1 1 192 192 GLU CA C 13 57.370 0.067 . 1 . 827 . . 192 GLU CA . 18853 1 2174 . 1 1 192 192 GLU CB C 13 28.972 0.092 . 1 . 759 . . 192 GLU CB . 18853 1 2175 . 1 1 192 192 GLU CG C 13 39.915 0.083 . 1 . 1301 . . 192 GLU CG . 18853 1 2176 . 1 1 192 192 GLU N N 15 122.489 0.041 . 1 . 12 . . 192 GLU N . 18853 1 2177 . 1 1 193 193 ASN H H 1 8.003 0.007 . 1 . 369 . . 193 ASN H . 18853 1 2178 . 1 1 193 193 ASN HA H 1 4.387 0.008 . 1 . 1702 . . 193 ASN HA . 18853 1 2179 . 1 1 193 193 ASN HB2 H 1 2.786 0.006 . 2 . 1701 . . 193 ASN HB2 . 18853 1 2180 . 1 1 193 193 ASN HB3 H 1 2.864 0.006 . 2 . 1700 . . 193 ASN HB3 . 18853 1 2181 . 1 1 193 193 ASN HD21 H 1 6.941 0.006 . 1 . 943 . . 193 ASN HD21 . 18853 1 2182 . 1 1 193 193 ASN HD22 H 1 7.584 0.004 . 1 . 941 . . 193 ASN HD22 . 18853 1 2183 . 1 1 193 193 ASN C C 13 178.373 0.1 . 1 . 723 . . 193 ASN C . 18853 1 2184 . 1 1 193 193 ASN CA C 13 57.974 0.063 . 1 . 831 . . 193 ASN CA . 18853 1 2185 . 1 1 193 193 ASN CB C 13 40.206 0.103 . 1 . 832 . . 193 ASN CB . 18853 1 2186 . 1 1 193 193 ASN CG C 13 176.232 0.029 . 1 . 2325 . . 193 ASN CG . 18853 1 2187 . 1 1 193 193 ASN N N 15 119.180 0.049 . 1 . 370 . . 193 ASN N . 18853 1 2188 . 1 1 193 193 ASN ND2 N 15 111.807 0.0 . 1 . 942 . . 193 ASN ND2 . 18853 1 2189 . 1 1 194 194 ILE H H 1 7.881 0.005 . 1 . 721 . . 194 ILE H . 18853 1 2190 . 1 1 194 194 ILE HA H 1 4.124 0.007 . 1 . 1696 . . 194 ILE HA . 18853 1 2191 . 1 1 194 194 ILE HB H 1 2.192 0.008 . 1 . 1697 . . 194 ILE HB . 18853 1 2192 . 1 1 194 194 ILE HG12 H 1 1.285 0.006 . 2 . 1698 . . 194 ILE HG12 . 18853 1 2193 . 1 1 194 194 ILE HG13 H 1 1.685 0.006 . 2 . 2251 . . 194 ILE HG13 . 18853 1 2194 . 1 1 194 194 ILE HG21 H 1 1.177 0.005 . 1 . 1699 . . 194 ILE HG21 . 18853 1 2195 . 1 1 194 194 ILE HG22 H 1 1.177 0.005 . 1 . 1699 . . 194 ILE HG22 . 18853 1 2196 . 1 1 194 194 ILE HG23 H 1 1.177 0.005 . 1 . 1699 . . 194 ILE HG23 . 18853 1 2197 . 1 1 194 194 ILE HD11 H 1 0.887 0.006 . 1 . 2250 . . 194 ILE HD11 . 18853 1 2198 . 1 1 194 194 ILE HD12 H 1 0.887 0.006 . 1 . 2250 . . 194 ILE HD12 . 18853 1 2199 . 1 1 194 194 ILE HD13 H 1 0.887 0.006 . 1 . 2250 . . 194 ILE HD13 . 18853 1 2200 . 1 1 194 194 ILE C C 13 178.376 0.1 . 1 . 686 . . 194 ILE C . 18853 1 2201 . 1 1 194 194 ILE CA C 13 64.984 0.049 . 1 . 1162 . . 194 ILE CA . 18853 1 2202 . 1 1 194 194 ILE CB C 13 37.170 0.073 . 1 . 1163 . . 194 ILE CB . 18853 1 2203 . 1 1 194 194 ILE CG1 C 13 29.753 0.08 . 1 . 1302 . . 194 ILE CG1 . 18853 1 2204 . 1 1 194 194 ILE CG2 C 13 20.152 0.036 . 1 . 1303 . . 194 ILE CG2 . 18853 1 2205 . 1 1 194 194 ILE CD1 C 13 12.487 0.054 . 1 . 1304 . . 194 ILE CD1 . 18853 1 2206 . 1 1 194 194 ILE N N 15 122.612 0.041 . 1 . 722 . . 194 ILE N . 18853 1 2207 . 1 1 195 195 LEU H H 1 8.737 0.013 . 1 . 407 . . 195 LEU H . 18853 1 2208 . 1 1 195 195 LEU HA H 1 4.229 0.012 . 1 . 2400 . . 195 LEU HA . 18853 1 2209 . 1 1 195 195 LEU HB2 H 1 1.657 0.015 . 2 . 1695 . . 195 LEU HB2 . 18853 1 2210 . 1 1 195 195 LEU HB3 H 1 1.998 0.012 . 2 . 2399 . . 195 LEU HB3 . 18853 1 2211 . 1 1 195 195 LEU HD11 H 1 0.872 0.006 . 2 . 1694 . . 195 LEU HD11 . 18853 1 2212 . 1 1 195 195 LEU HD12 H 1 0.872 0.006 . 2 . 1694 . . 195 LEU HD12 . 18853 1 2213 . 1 1 195 195 LEU HD13 H 1 0.872 0.006 . 2 . 1694 . . 195 LEU HD13 . 18853 1 2214 . 1 1 195 195 LEU HD21 H 1 0.918 0.004 . 2 . 2401 . . 195 LEU HD21 . 18853 1 2215 . 1 1 195 195 LEU HD22 H 1 0.918 0.004 . 2 . 2401 . . 195 LEU HD22 . 18853 1 2216 . 1 1 195 195 LEU HD23 H 1 0.918 0.004 . 2 . 2401 . . 195 LEU HD23 . 18853 1 2217 . 1 1 195 195 LEU C C 13 177.949 0.1 . 1 . 531 . . 195 LEU C . 18853 1 2218 . 1 1 195 195 LEU CA C 13 59.643 0.07 . 1 . 858 . . 195 LEU CA . 18853 1 2219 . 1 1 195 195 LEU CB C 13 41.837 0.093 . 1 . 857 . . 195 LEU CB . 18853 1 2220 . 1 1 195 195 LEU CD1 C 13 24.206 0.038 . 2 . 1306 . . 195 LEU CD1 . 18853 1 2221 . 1 1 195 195 LEU CD2 C 13 27.762 0.044 . 2 . 1305 . . 195 LEU CD2 . 18853 1 2222 . 1 1 195 195 LEU N N 15 123.256 0.03 . 1 . 408 . . 195 LEU N . 18853 1 2223 . 1 1 196 196 GLN H H 1 8.569 0.008 . 1 . 141 . . 196 GLN H . 18853 1 2224 . 1 1 196 196 GLN HA H 1 3.829 0.008 . 1 . 1690 . . 196 GLN HA . 18853 1 2225 . 1 1 196 196 GLN HB2 H 1 2.229 0.014 . 2 . 1692 . . 196 GLN HB2 . 18853 1 2226 . 1 1 196 196 GLN HB3 H 1 2.201 0.013 . 2 . 1693 . . 196 GLN HB3 . 18853 1 2227 . 1 1 196 196 GLN HG2 H 1 2.424 0.005 . 2 . 1691 . . 196 GLN HG2 . 18853 1 2228 . 1 1 196 196 GLN HG3 H 1 2.420 0.007 . 2 . 2456 . . 196 GLN HG3 . 18853 1 2229 . 1 1 196 196 GLN HE21 H 1 7.115 0.009 . 1 . 2459 . . 196 GLN HE21 . 18853 1 2230 . 1 1 196 196 GLN HE22 H 1 6.769 0.019 . 1 . 2457 . . 196 GLN HE22 . 18853 1 2231 . 1 1 196 196 GLN C C 13 178.885 0.016 . 1 . 543 . . 196 GLN C . 18853 1 2232 . 1 1 196 196 GLN CA C 13 60.783 0.056 . 1 . 1177 . . 196 GLN CA . 18853 1 2233 . 1 1 196 196 GLN CB C 13 29.490 0.076 . 1 . 1178 . . 196 GLN CB . 18853 1 2234 . 1 1 196 196 GLN CG C 13 34.880 0.051 . 1 . 1307 . . 196 GLN CG . 18853 1 2235 . 1 1 196 196 GLN CD C 13 179.604 0.01 . 1 . 2460 . . 196 GLN CD . 18853 1 2236 . 1 1 196 196 GLN N N 15 117.375 0.035 . 1 . 142 . . 196 GLN N . 18853 1 2237 . 1 1 196 196 GLN NE2 N 15 110.169 0.1 . 1 . 2458 . . 196 GLN NE2 . 18853 1 2238 . 1 1 197 197 GLY H H 1 7.581 0.005 . 1 . 157 . . 197 GLY H . 18853 1 2239 . 1 1 197 197 GLY HA2 H 1 3.185 0.013 . 2 . 2440 . . 197 GLY HA2 . 18853 1 2240 . 1 1 197 197 GLY HA3 H 1 2.543 0.008 . 2 . 2439 . . 197 GLY HA3 . 18853 1 2241 . 1 1 197 197 GLY C C 13 177.369 0.1 . 1 . 562 . . 197 GLY C . 18853 1 2242 . 1 1 197 197 GLY CA C 13 47.216 0.098 . 1 . 1179 . . 197 GLY CA . 18853 1 2243 . 1 1 197 197 GLY N N 15 106.115 0.037 . 1 . 158 . . 197 GLY N . 18853 1 2244 . 1 1 198 198 TRP H H 1 8.195 0.007 . 1 . 197 . . 198 TRP H . 18853 1 2245 . 1 1 198 198 TRP HA H 1 4.570 0.01 . 1 . 1688 . . 198 TRP HA . 18853 1 2246 . 1 1 198 198 TRP HB2 H 1 3.337 0.017 . 2 . 1687 . . 198 TRP HB2 . 18853 1 2247 . 1 1 198 198 TRP HB3 H 1 3.371 0.007 . 2 . 1686 . . 198 TRP HB3 . 18853 1 2248 . 1 1 198 198 TRP HD1 H 1 6.969 0.005 . 1 . 2563 . . 198 TRP HD1 . 18853 1 2249 . 1 1 198 198 TRP HE1 H 1 11.201 0.012 . 1 . 75 . . 198 TRP HE1 . 18853 1 2250 . 1 1 198 198 TRP HZ2 H 1 7.399 0.009 . 1 . 1689 . . 198 TRP HZ2 . 18853 1 2251 . 1 1 198 198 TRP HH2 H 1 7.146 0.005 . 1 . 2755 . . 198 TRP HH2 . 18853 1 2252 . 1 1 198 198 TRP C C 13 178.530 0.1 . 1 . 455 . . 198 TRP C . 18853 1 2253 . 1 1 198 198 TRP CA C 13 62.286 0.059 . 1 . 1165 . . 198 TRP CA . 18853 1 2254 . 1 1 198 198 TRP CB C 13 30.899 0.06 . 1 . 1164 . . 198 TRP CB . 18853 1 2255 . 1 1 198 198 TRP CD1 C 13 127.225 0.03 . 1 . 2564 . . 198 TRP CD1 . 18853 1 2256 . 1 1 198 198 TRP CZ2 C 13 115.469 0.071 . 1 . 2593 . . 198 TRP CZ2 . 18853 1 2257 . 1 1 198 198 TRP CH2 C 13 124.888 0.046 . 1 . 2756 . . 198 TRP CH2 . 18853 1 2258 . 1 1 198 198 TRP N N 15 125.174 0.042 . 1 . 198 . . 198 TRP N . 18853 1 2259 . 1 1 198 198 TRP NE1 N 15 130.240 0.023 . 1 . 76 . . 198 TRP NE1 . 18853 1 2260 . 1 1 199 199 LEU H H 1 8.602 0.01 . 1 . 1 . . 199 LEU H . 18853 1 2261 . 1 1 199 199 LEU HA H 1 4.118 0.018 . 1 . 1683 . . 199 LEU HA . 18853 1 2262 . 1 1 199 199 LEU HB2 H 1 1.910 0.008 . 2 . 1682 . . 199 LEU HB2 . 18853 1 2263 . 1 1 199 199 LEU HB3 H 1 1.612 0.005 . 2 . 2396 . . 199 LEU HB3 . 18853 1 2264 . 1 1 199 199 LEU HG H 1 1.848 0.007 . 1 . 1685 . . 199 LEU HG . 18853 1 2265 . 1 1 199 199 LEU HD11 H 1 0.839 0.008 . 2 . 1684 . . 199 LEU HD11 . 18853 1 2266 . 1 1 199 199 LEU HD12 H 1 0.839 0.008 . 2 . 1684 . . 199 LEU HD12 . 18853 1 2267 . 1 1 199 199 LEU HD13 H 1 0.839 0.008 . 2 . 1684 . . 199 LEU HD13 . 18853 1 2268 . 1 1 199 199 LEU HD21 H 1 0.710 0.008 . 2 . 2397 . . 199 LEU HD21 . 18853 1 2269 . 1 1 199 199 LEU HD22 H 1 0.710 0.008 . 2 . 2397 . . 199 LEU HD22 . 18853 1 2270 . 1 1 199 199 LEU HD23 H 1 0.710 0.008 . 2 . 2397 . . 199 LEU HD23 . 18853 1 2271 . 1 1 199 199 LEU C C 13 179.980 0.1 . 1 . 744 . . 199 LEU C . 18853 1 2272 . 1 1 199 199 LEU CA C 13 58.600 0.05 . 1 . 751 . . 199 LEU CA . 18853 1 2273 . 1 1 199 199 LEU CB C 13 41.270 0.026 . 1 . 752 . . 199 LEU CB . 18853 1 2274 . 1 1 199 199 LEU CG C 13 28.016 0.033 . 1 . 1308 . . 199 LEU CG . 18853 1 2275 . 1 1 199 199 LEU CD1 C 13 26.936 0.039 . 2 . 2659 . . 199 LEU CD1 . 18853 1 2276 . 1 1 199 199 LEU CD2 C 13 23.298 0.021 . 2 . 2398 . . 199 LEU CD2 . 18853 1 2277 . 1 1 199 199 LEU N N 15 118.151 0.042 . 1 . 2 . . 199 LEU N . 18853 1 2278 . 1 1 200 200 ASP H H 1 7.989 0.004 . 1 . 675 . . 200 ASP H . 18853 1 2279 . 1 1 200 200 ASP HA H 1 4.686 0.007 . 1 . 1678 . . 200 ASP HA . 18853 1 2280 . 1 1 200 200 ASP HB2 H 1 2.940 0.004 . 2 . 1680 . . 200 ASP HB2 . 18853 1 2281 . 1 1 200 200 ASP HB3 H 1 3.053 0.005 . 2 . 1679 . . 200 ASP HB3 . 18853 1 2282 . 1 1 200 200 ASP C C 13 177.749 0.1 . 1 . 710 . . 200 ASP C . 18853 1 2283 . 1 1 200 200 ASP CA C 13 58.500 0.09 . 1 . 886 . . 200 ASP CA . 18853 1 2284 . 1 1 200 200 ASP CB C 13 42.859 0.085 . 1 . 885 . . 200 ASP CB . 18853 1 2285 . 1 1 200 200 ASP N N 15 121.808 0.051 . 1 . 676 . . 200 ASP N . 18853 1 2286 . 1 1 201 201 LEU H H 1 7.444 0.009 . 1 . 451 . . 201 LEU H . 18853 1 2287 . 1 1 201 201 LEU HA H 1 3.449 0.006 . 1 . 2277 . . 201 LEU HA . 18853 1 2288 . 1 1 201 201 LEU HB2 H 1 -0.739 0.014 . 2 . 2232 . . 201 LEU HB2 . 18853 1 2289 . 1 1 201 201 LEU HB3 H 1 1.458 0.008 . 2 . 2279 . . 201 LEU HB3 . 18853 1 2290 . 1 1 201 201 LEU HG H 1 1.019 0.005 . 1 . 2278 . . 201 LEU HG . 18853 1 2291 . 1 1 201 201 LEU HD11 H 1 -0.158 0.004 . 2 . 2236 . . 201 LEU HD11 . 18853 1 2292 . 1 1 201 201 LEU HD12 H 1 -0.158 0.004 . 2 . 2236 . . 201 LEU HD12 . 18853 1 2293 . 1 1 201 201 LEU HD13 H 1 -0.158 0.004 . 2 . 2236 . . 201 LEU HD13 . 18853 1 2294 . 1 1 201 201 LEU HD21 H 1 -0.532 0.01 . 2 . 2235 . . 201 LEU HD21 . 18853 1 2295 . 1 1 201 201 LEU HD22 H 1 -0.532 0.01 . 2 . 2235 . . 201 LEU HD22 . 18853 1 2296 . 1 1 201 201 LEU HD23 H 1 -0.532 0.01 . 2 . 2235 . . 201 LEU HD23 . 18853 1 2297 . 1 1 201 201 LEU C C 13 178.379 0.1 . 1 . 735 . . 201 LEU C . 18853 1 2298 . 1 1 201 201 LEU CA C 13 58.786 0.082 . 1 . 1180 . . 201 LEU CA . 18853 1 2299 . 1 1 201 201 LEU CB C 13 39.878 0.068 . 1 . 1181 . . 201 LEU CB . 18853 1 2300 . 1 1 201 201 LEU CG C 13 26.228 0.07 . 1 . 2280 . . 201 LEU CG . 18853 1 2301 . 1 1 201 201 LEU CD1 C 13 20.838 0.018 . 2 . 2237 . . 201 LEU CD1 . 18853 1 2302 . 1 1 201 201 LEU CD2 C 13 25.045 0.025 . 2 . 1309 . . 201 LEU CD2 . 18853 1 2303 . 1 1 201 201 LEU N N 15 121.845 0.043 . 1 . 452 . . 201 LEU N . 18853 1 2304 . 1 1 202 202 GLN H H 1 8.191 0.007 . 1 . 733 . . 202 GLN H . 18853 1 2305 . 1 1 202 202 GLN HA H 1 3.901 0.006 . 1 . 1677 . . 202 GLN HA . 18853 1 2306 . 1 1 202 202 GLN HB2 H 1 2.706 0.009 . 2 . 2712 . . 202 GLN HB2 . 18853 1 2307 . 1 1 202 202 GLN HB3 H 1 2.705 0.008 . 2 . 2713 . . 202 GLN HB3 . 18853 1 2308 . 1 1 202 202 GLN HG2 H 1 1.589 0.006 . 2 . 2454 . . 202 GLN HG2 . 18853 1 2309 . 1 1 202 202 GLN HG3 H 1 1.774 0.009 . 2 . 2455 . . 202 GLN HG3 . 18853 1 2310 . 1 1 202 202 GLN HE21 H 1 5.783 0.006 . 1 . 2763 . . 202 GLN HE21 . 18853 1 2311 . 1 1 202 202 GLN HE22 H 1 7.813 0.013 . 1 . 2789 . . 202 GLN HE22 . 18853 1 2312 . 1 1 202 202 GLN C C 13 176.688 0.1 . 1 . 591 . . 202 GLN C . 18853 1 2313 . 1 1 202 202 GLN CA C 13 61.082 0.07 . 1 . 889 . . 202 GLN CA . 18853 1 2314 . 1 1 202 202 GLN CB C 13 29.937 0.102 . 1 . 1413 . . 202 GLN CB . 18853 1 2315 . 1 1 202 202 GLN CG C 13 34.819 0.051 . 1 . 1414 . . 202 GLN CG . 18853 1 2316 . 1 1 202 202 GLN CD C 13 176.872 0.1 . 1 . 2791 . . 202 GLN CD . 18853 1 2317 . 1 1 202 202 GLN N N 15 118.924 0.036 . 1 . 734 . . 202 GLN N . 18853 1 2318 . 1 1 202 202 GLN NE2 N 15 111.192 0.1 . 1 . 2790 . . 202 GLN NE2 . 18853 1 2319 . 1 1 203 203 ARG H H 1 7.801 0.006 . 1 . 255 . . 203 ARG H . 18853 1 2320 . 1 1 203 203 ARG HA H 1 4.185 0.005 . 1 . 1671 . . 203 ARG HA . 18853 1 2321 . 1 1 203 203 ARG HB2 H 1 2.147 0.003 . 2 . 1675 . . 203 ARG HB2 . 18853 1 2322 . 1 1 203 203 ARG HB3 H 1 2.264 0.007 . 2 . 1674 . . 203 ARG HB3 . 18853 1 2323 . 1 1 203 203 ARG HG2 H 1 1.927 0.005 . 2 . 1673 . . 203 ARG HG2 . 18853 1 2324 . 1 1 203 203 ARG HG3 H 1 1.792 0.005 . 2 . 1676 . . 203 ARG HG3 . 18853 1 2325 . 1 1 203 203 ARG HD2 H 1 3.360 0.003 . 2 . 1672 . . 203 ARG HD2 . 18853 1 2326 . 1 1 203 203 ARG HD3 H 1 3.362 0.004 . 2 . 2527 . . 203 ARG HD3 . 18853 1 2327 . 1 1 203 203 ARG C C 13 178.275 0.1 . 1 . 685 . . 203 ARG C . 18853 1 2328 . 1 1 203 203 ARG CA C 13 60.981 0.064 . 1 . 1408 . . 203 ARG CA . 18853 1 2329 . 1 1 203 203 ARG CB C 13 30.670 0.082 . 1 . 1409 . . 203 ARG CB . 18853 1 2330 . 1 1 203 203 ARG CG C 13 28.270 0.055 . 1 . 1411 . . 203 ARG CG . 18853 1 2331 . 1 1 203 203 ARG CD C 13 44.345 0.064 . 1 . 1412 . . 203 ARG CD . 18853 1 2332 . 1 1 203 203 ARG N N 15 119.272 0.033 . 1 . 256 . . 203 ARG N . 18853 1 2333 . 1 1 204 204 VAL H H 1 8.095 0.014 . 1 . 683 . . 204 VAL H . 18853 1 2334 . 1 1 204 204 VAL HA H 1 3.680 0.012 . 1 . 1670 . . 204 VAL HA . 18853 1 2335 . 1 1 204 204 VAL HB H 1 2.387 0.009 . 1 . 1669 . . 204 VAL HB . 18853 1 2336 . 1 1 204 204 VAL HG11 H 1 1.146 0.005 . 2 . 1667 . . 204 VAL HG11 . 18853 1 2337 . 1 1 204 204 VAL HG12 H 1 1.146 0.005 . 2 . 1667 . . 204 VAL HG12 . 18853 1 2338 . 1 1 204 204 VAL HG13 H 1 1.146 0.005 . 2 . 1667 . . 204 VAL HG13 . 18853 1 2339 . 1 1 204 204 VAL HG21 H 1 0.900 0.009 . 2 . 1668 . . 204 VAL HG21 . 18853 1 2340 . 1 1 204 204 VAL HG22 H 1 0.900 0.009 . 2 . 1668 . . 204 VAL HG22 . 18853 1 2341 . 1 1 204 204 VAL HG23 H 1 0.900 0.009 . 2 . 1668 . . 204 VAL HG23 . 18853 1 2342 . 1 1 204 204 VAL C C 13 178.997 0.1 . 1 . 502 . . 204 VAL C . 18853 1 2343 . 1 1 204 204 VAL CA C 13 67.564 0.054 . 1 . 1407 . . 204 VAL CA . 18853 1 2344 . 1 1 204 204 VAL CB C 13 32.706 0.1 . 1 . 2738 . . 204 VAL CB . 18853 1 2345 . 1 1 204 204 VAL CG1 C 13 23.838 0.039 . 2 . 1410 . . 204 VAL CG1 . 18853 1 2346 . 1 1 204 204 VAL CG2 C 13 22.045 0.016 . 2 . 2663 . . 204 VAL CG2 . 18853 1 2347 . 1 1 204 204 VAL N N 15 120.550 0.062 . 1 . 684 . . 204 VAL N . 18853 1 2348 . 1 1 205 205 TRP H H 1 8.513 0.01 . 1 . 83 . . 205 TRP H . 18853 1 2349 . 1 1 205 205 TRP HA H 1 4.352 0.008 . 1 . 2629 . . 205 TRP HA . 18853 1 2350 . 1 1 205 205 TRP HB2 H 1 3.144 0.011 . 2 . 2714 . . 205 TRP HB2 . 18853 1 2351 . 1 1 205 205 TRP HB3 H 1 3.794 0.015 . 2 . 2715 . . 205 TRP HB3 . 18853 1 2352 . 1 1 205 205 TRP HD1 H 1 7.059 0.006 . 1 . 2566 . . 205 TRP HD1 . 18853 1 2353 . 1 1 205 205 TRP HE1 H 1 10.304 0.012 . 1 . 350 . . 205 TRP HE1 . 18853 1 2354 . 1 1 205 205 TRP HZ2 H 1 7.493 0.007 . 1 . 2583 . . 205 TRP HZ2 . 18853 1 2355 . 1 1 205 205 TRP HZ3 H 1 6.917 0.003 . 1 . 2584 . . 205 TRP HZ3 . 18853 1 2356 . 1 1 205 205 TRP HH2 H 1 7.241 0.004 . 1 . 2586 . . 205 TRP HH2 . 18853 1 2357 . 1 1 205 205 TRP C C 13 177.240 0.1 . 1 . 457 . . 205 TRP C . 18853 1 2358 . 1 1 205 205 TRP CA C 13 62.278 0.081 . 1 . 773 . . 205 TRP CA . 18853 1 2359 . 1 1 205 205 TRP CB C 13 29.951 0.08 . 1 . 1368 . . 205 TRP CB . 18853 1 2360 . 1 1 205 205 TRP CD1 C 13 127.793 0.042 . 1 . 2567 . . 205 TRP CD1 . 18853 1 2361 . 1 1 205 205 TRP CZ2 C 13 115.059 0.04 . 1 . 2582 . . 205 TRP CZ2 . 18853 1 2362 . 1 1 205 205 TRP CZ3 C 13 123.204 0.056 . 1 . 2585 . . 205 TRP CZ3 . 18853 1 2363 . 1 1 205 205 TRP CH2 C 13 125.837 0.07 . 1 . 2758 . . 205 TRP CH2 . 18853 1 2364 . 1 1 205 205 TRP N N 15 121.902 0.05 . 1 . 84 . . 205 TRP N . 18853 1 2365 . 1 1 205 205 TRP NE1 N 15 129.656 0.023 . 1 . 351 . . 205 TRP NE1 . 18853 1 2366 . 1 1 206 206 PHE H H 1 8.905 0.008 . 1 . 5 . . 206 PHE H . 18853 1 2367 . 1 1 206 206 PHE HA H 1 3.788 0.003 . 1 . 1666 . . 206 PHE HA . 18853 1 2368 . 1 1 206 206 PHE HB2 H 1 3.109 0.011 . 2 . 1663 . . 206 PHE HB2 . 18853 1 2369 . 1 1 206 206 PHE HB3 H 1 3.184 0.015 . 2 . 1662 . . 206 PHE HB3 . 18853 1 2370 . 1 1 206 206 PHE HD1 H 1 7.156 0.007 . 3 . 1665 . . 206 PHE HD1 . 18853 1 2371 . 1 1 206 206 PHE HD2 H 1 7.156 0.007 . 3 . 1665 . . 206 PHE HD2 . 18853 1 2372 . 1 1 206 206 PHE HE1 H 1 7.248 0.006 . 3 . 1664 . . 206 PHE HE1 . 18853 1 2373 . 1 1 206 206 PHE HE2 H 1 7.248 0.006 . 3 . 1664 . . 206 PHE HE2 . 18853 1 2374 . 1 1 206 206 PHE HZ H 1 7.083 0.003 . 1 . 2759 . . 206 PHE HZ . 18853 1 2375 . 1 1 206 206 PHE C C 13 179.211 0.1 . 1 . 592 . . 206 PHE C . 18853 1 2376 . 1 1 206 206 PHE CA C 13 61.625 0.088 . 1 . 754 . . 206 PHE CA . 18853 1 2377 . 1 1 206 206 PHE CB C 13 39.404 0.052 . 1 . 755 . . 206 PHE CB . 18853 1 2378 . 1 1 206 206 PHE CD1 C 13 132.039 0.056 . 3 . 2610 . . 206 PHE CD1 . 18853 1 2379 . 1 1 206 206 PHE CD2 C 13 132.039 0.056 . 3 . 2610 . . 206 PHE CD2 . 18853 1 2380 . 1 1 206 206 PHE CE1 C 13 132.067 0.069 . 3 . 2611 . . 206 PHE CE1 . 18853 1 2381 . 1 1 206 206 PHE CE2 C 13 132.067 0.069 . 3 . 2611 . . 206 PHE CE2 . 18853 1 2382 . 1 1 206 206 PHE CZ C 13 130.603 0.035 . 1 . 2760 . . 206 PHE CZ . 18853 1 2383 . 1 1 206 206 PHE N N 15 118.282 0.023 . 1 . 6 . . 206 PHE N . 18853 1 2384 . 1 1 207 207 ASP H H 1 8.210 0.004 . 1 . 257 . . 207 ASP H . 18853 1 2385 . 1 1 207 207 ASP HA H 1 4.515 0.004 . 1 . 1659 . . 207 ASP HA . 18853 1 2386 . 1 1 207 207 ASP HB2 H 1 2.804 0.006 . 2 . 1660 . . 207 ASP HB2 . 18853 1 2387 . 1 1 207 207 ASP HB3 H 1 2.677 0.012 . 2 . 1661 . . 207 ASP HB3 . 18853 1 2388 . 1 1 207 207 ASP C C 13 177.724 0.03 . 1 . 589 . . 207 ASP C . 18853 1 2389 . 1 1 207 207 ASP CA C 13 57.258 0.082 . 1 . 1367 . . 207 ASP CA . 18853 1 2390 . 1 1 207 207 ASP CB C 13 41.621 0.07 . 1 . 1356 . . 207 ASP CB . 18853 1 2391 . 1 1 207 207 ASP N N 15 115.253 0.048 . 1 . 258 . . 207 ASP N . 18853 1 2392 . 1 1 208 208 ASN H H 1 7.808 0.005 . 1 . 251 . . 208 ASN H . 18853 1 2393 . 1 1 208 208 ASN HA H 1 5.064 0.007 . 1 . 1656 . . 208 ASN HA . 18853 1 2394 . 1 1 208 208 ASN HB2 H 1 2.635 0.009 . 2 . 2318 . . 208 ASN HB2 . 18853 1 2395 . 1 1 208 208 ASN HB3 H 1 2.590 0.003 . 2 . 2319 . . 208 ASN HB3 . 18853 1 2396 . 1 1 208 208 ASN C C 13 175.634 0.029 . 1 . 547 . . 208 ASN C . 18853 1 2397 . 1 1 208 208 ASN CA C 13 55.148 0.076 . 1 . 1357 . . 208 ASN CA . 18853 1 2398 . 1 1 208 208 ASN CB C 13 41.684 0.083 . 1 . 1366 . . 208 ASN CB . 18853 1 2399 . 1 1 208 208 ASN N N 15 114.664 0.051 . 1 . 252 . . 208 ASN N . 18853 1 2400 . 1 1 209 209 ARG H H 1 7.776 0.012 . 1 . 167 . . 209 ARG H . 18853 1 2401 . 1 1 209 209 ARG HA H 1 3.726 0.005 . 1 . 1655 . . 209 ARG HA . 18853 1 2402 . 1 1 209 209 ARG HB2 H 1 1.231 0.012 . 2 . 1658 . . 209 ARG HB2 . 18853 1 2403 . 1 1 209 209 ARG HB3 H 1 1.010 0.014 . 2 . 1657 . . 209 ARG HB3 . 18853 1 2404 . 1 1 209 209 ARG HG2 H 1 1.215 0.009 . 2 . 2526 . . 209 ARG HG2 . 18853 1 2405 . 1 1 209 209 ARG HG3 H 1 0.997 0.009 . 2 . 2525 . . 209 ARG HG3 . 18853 1 2406 . 1 1 209 209 ARG HD2 H 1 1.665 0.018 . 2 . 2524 . . 209 ARG HD2 . 18853 1 2407 . 1 1 209 209 ARG HD3 H 1 2.051 0.019 . 2 . 2523 . . 209 ARG HD3 . 18853 1 2408 . 1 1 209 209 ARG HE H 1 6.767 0.007 . 1 . 271 . . 209 ARG HE . 18853 1 2409 . 1 1 209 209 ARG C C 13 176.265 0.1 . 1 . 488 . . 209 ARG C . 18853 1 2410 . 1 1 209 209 ARG CA C 13 59.963 0.088 . 1 . 1358 . . 209 ARG CA . 18853 1 2411 . 1 1 209 209 ARG CB C 13 29.421 0.072 . 1 . 1359 . . 209 ARG CB . 18853 1 2412 . 1 1 209 209 ARG CG C 13 25.637 0.031 . 1 . 1365 . . 209 ARG CG . 18853 1 2413 . 1 1 209 209 ARG CD C 13 43.894 0.07 . 1 . 1364 . . 209 ARG CD . 18853 1 2414 . 1 1 209 209 ARG CZ C 13 159.009 0.1 . 1 . 603 . . 209 ARG CZ . 18853 1 2415 . 1 1 209 209 ARG N N 15 117.549 0.037 . 1 . 168 . . 209 ARG N . 18853 1 2416 . 1 1 209 209 ARG NE N 15 85.453 0.019 . 1 . 272 . . 209 ARG NE . 18853 1 2417 . 1 1 210 210 ASN H H 1 8.123 0.01 . 1 . 489 . . 210 ASN H . 18853 1 2418 . 1 1 210 210 ASN HA H 1 4.728 0.005 . 1 . 1650 . . 210 ASN HA . 18853 1 2419 . 1 1 210 210 ASN HB2 H 1 2.665 0.004 . 2 . 1654 . . 210 ASN HB2 . 18853 1 2420 . 1 1 210 210 ASN HB3 H 1 2.869 0.004 . 2 . 1653 . . 210 ASN HB3 . 18853 1 2421 . 1 1 210 210 ASN HD21 H 1 7.434 0.008 . 1 . 929 . . 210 ASN HD21 . 18853 1 2422 . 1 1 210 210 ASN HD22 H 1 6.708 0.013 . 1 . 931 . . 210 ASN HD22 . 18853 1 2423 . 1 1 210 210 ASN C C 13 174.273 0.02 . 1 . 633 . . 210 ASN C . 18853 1 2424 . 1 1 210 210 ASN CA C 13 54.589 0.067 . 1 . 1361 . . 210 ASN CA . 18853 1 2425 . 1 1 210 210 ASN CB C 13 39.652 0.076 . 1 . 1360 . . 210 ASN CB . 18853 1 2426 . 1 1 210 210 ASN CG C 13 177.227 0.0 . 1 . 2327 . . 210 ASN CG . 18853 1 2427 . 1 1 210 210 ASN N N 15 115.614 0.063 . 1 . 490 . . 210 ASN N . 18853 1 2428 . 1 1 210 210 ASN ND2 N 15 112.482 0.001 . 1 . 930 . . 210 ASN ND2 . 18853 1 2429 . 1 1 211 211 ASP H H 1 7.844 0.006 . 1 . 320 . . 211 ASP H . 18853 1 2430 . 1 1 211 211 ASP HA H 1 5.150 0.006 . 1 . 1649 . . 211 ASP HA . 18853 1 2431 . 1 1 211 211 ASP HB2 H 1 2.428 0.006 . 2 . 1652 . . 211 ASP HB2 . 18853 1 2432 . 1 1 211 211 ASP HB3 H 1 2.962 0.005 . 2 . 1651 . . 211 ASP HB3 . 18853 1 2433 . 1 1 211 211 ASP CA C 13 51.911 0.041 . 1 . 1362 . . 211 ASP CA . 18853 1 2434 . 1 1 211 211 ASP CB C 13 43.618 0.066 . 1 . 1363 . . 211 ASP CB . 18853 1 2435 . 1 1 211 211 ASP N N 15 119.342 0.039 . 1 . 321 . . 211 ASP N . 18853 1 2436 . 1 1 212 212 PRO HA H 1 4.161 0.009 . 1 . 1646 . . 212 PRO HA . 18853 1 2437 . 1 1 212 212 PRO HB2 H 1 2.262 0.008 . 2 . 2644 . . 212 PRO HB2 . 18853 1 2438 . 1 1 212 212 PRO HB3 H 1 1.930 0.013 . 2 . 2645 . . 212 PRO HB3 . 18853 1 2439 . 1 1 212 212 PRO HG2 H 1 2.089 0.008 . 2 . 1647 . . 212 PRO HG2 . 18853 1 2440 . 1 1 212 212 PRO HG3 H 1 1.947 0.007 . 2 . 1648 . . 212 PRO HG3 . 18853 1 2441 . 1 1 212 212 PRO HD2 H 1 3.915 0.006 . 2 . 2642 . . 212 PRO HD2 . 18853 1 2442 . 1 1 212 212 PRO HD3 H 1 3.633 0.005 . 2 . 2643 . . 212 PRO HD3 . 18853 1 2443 . 1 1 212 212 PRO C C 13 178.416 0.1 . 1 . 511 . . 212 PRO C . 18853 1 2444 . 1 1 212 212 PRO CA C 13 66.423 0.075 . 1 . 781 . . 212 PRO CA . 18853 1 2445 . 1 1 212 212 PRO CB C 13 33.324 0.056 . 1 . 1393 . . 212 PRO CB . 18853 1 2446 . 1 1 212 212 PRO CG C 13 28.335 0.071 . 1 . 1395 . . 212 PRO CG . 18853 1 2447 . 1 1 212 212 PRO CD C 13 51.525 0.059 . 1 . 1394 . . 212 PRO CD . 18853 1 2448 . 1 1 213 213 ASP H H 1 8.111 0.006 . 1 . 105 . . 213 ASP H . 18853 1 2449 . 1 1 213 213 ASP HA H 1 4.456 0.006 . 1 . 1643 . . 213 ASP HA . 18853 1 2450 . 1 1 213 213 ASP HB2 H 1 2.645 0.005 . 2 . 1645 . . 213 ASP HB2 . 18853 1 2451 . 1 1 213 213 ASP HB3 H 1 2.736 0.007 . 2 . 1644 . . 213 ASP HB3 . 18853 1 2452 . 1 1 213 213 ASP C C 13 179.522 0.002 . 1 . 626 . . 213 ASP C . 18853 1 2453 . 1 1 213 213 ASP CA C 13 58.722 0.101 . 1 . 782 . . 213 ASP CA . 18853 1 2454 . 1 1 213 213 ASP CB C 13 41.220 0.088 . 1 . 783 . . 213 ASP CB . 18853 1 2455 . 1 1 213 213 ASP N N 15 117.251 0.039 . 1 . 106 . . 213 ASP N . 18853 1 2456 . 1 1 214 214 MET H H 1 7.864 0.006 . 1 . 304 . . 214 MET H . 18853 1 2457 . 1 1 214 214 MET HA H 1 4.414 0.006 . 1 . 1638 . . 214 MET HA . 18853 1 2458 . 1 1 214 214 MET HB3 H 1 2.173 0.019 . 1 . 1641 . . 214 MET HB3 . 18853 1 2459 . 1 1 214 214 MET HG2 H 1 2.714 0.005 . 2 . 1639 . . 214 MET HG2 . 18853 1 2460 . 1 1 214 214 MET HG3 H 1 2.512 0.005 . 2 . 1640 . . 214 MET HG3 . 18853 1 2461 . 1 1 214 214 MET C C 13 179.964 0.1 . 1 . 692 . . 214 MET C . 18853 1 2462 . 1 1 214 214 MET CA C 13 58.241 0.057 . 1 . 1373 . . 214 MET CA . 18853 1 2463 . 1 1 214 214 MET CB C 13 32.830 0.102 . 1 . 1372 . . 214 MET CB . 18853 1 2464 . 1 1 214 214 MET CG C 13 33.819 0.058 . 1 . 1392 . . 214 MET CG . 18853 1 2465 . 1 1 214 214 MET N N 15 120.848 0.041 . 1 . 305 . . 214 MET N . 18853 1 2466 . 1 1 215 215 MET H H 1 8.799 0.008 . 1 . 417 . . 215 MET H . 18853 1 2467 . 1 1 215 215 MET HA H 1 4.134 0.014 . 1 . 2373 . . 215 MET HA . 18853 1 2468 . 1 1 215 215 MET HB2 H 1 2.261 0.01 . 2 . 1621 . . 215 MET HB2 . 18853 1 2469 . 1 1 215 215 MET HB3 H 1 2.150 0.007 . 2 . 1620 . . 215 MET HB3 . 18853 1 2470 . 1 1 215 215 MET HG2 H 1 2.835 0.007 . 2 . 2374 . . 215 MET HG2 . 18853 1 2471 . 1 1 215 215 MET HG3 H 1 2.842 0.01 . 2 . 1619 . . 215 MET HG3 . 18853 1 2472 . 1 1 215 215 MET HE1 H 1 2.031 0.004 . 1 . 2372 . . 215 MET HE1 . 18853 1 2473 . 1 1 215 215 MET HE2 H 1 2.031 0.004 . 1 . 2372 . . 215 MET HE2 . 18853 1 2474 . 1 1 215 215 MET HE3 H 1 2.031 0.004 . 1 . 2372 . . 215 MET HE3 . 18853 1 2475 . 1 1 215 215 MET C C 13 177.817 0.032 . 1 . 583 . . 215 MET C . 18853 1 2476 . 1 1 215 215 MET CA C 13 59.158 0.074 . 1 . 863 . . 215 MET CA . 18853 1 2477 . 1 1 215 215 MET CB C 13 33.004 0.062 . 1 . 864 . . 215 MET CB . 18853 1 2478 . 1 1 215 215 MET CG C 13 32.983 0.068 . 1 . 1391 . . 215 MET CG . 18853 1 2479 . 1 1 215 215 MET CE C 13 18.881 0.049 . 1 . 2528 . . 215 MET CE . 18853 1 2480 . 1 1 215 215 MET N N 15 121.783 0.037 . 1 . 418 . . 215 MET N . 18853 1 2481 . 1 1 216 216 LYS H H 1 8.152 0.01 . 1 . 239 . . 216 LYS H . 18853 1 2482 . 1 1 216 216 LYS HA H 1 3.870 0.009 . 1 . 1614 . . 216 LYS HA . 18853 1 2483 . 1 1 216 216 LYS HB2 H 1 1.946 0.007 . 2 . 2491 . . 216 LYS HB2 . 18853 1 2484 . 1 1 216 216 LYS HB3 H 1 1.951 0.007 . 2 . 1616 . . 216 LYS HB3 . 18853 1 2485 . 1 1 216 216 LYS HG2 H 1 1.455 0.007 . 2 . 2494 . . 216 LYS HG2 . 18853 1 2486 . 1 1 216 216 LYS HG3 H 1 1.623 0.004 . 2 . 2493 . . 216 LYS HG3 . 18853 1 2487 . 1 1 216 216 LYS HD2 H 1 1.737 0.007 . 2 . 2492 . . 216 LYS HD2 . 18853 1 2488 . 1 1 216 216 LYS HD3 H 1 1.729 0.004 . 2 . 1615 . . 216 LYS HD3 . 18853 1 2489 . 1 1 216 216 LYS HE2 H 1 2.997 0.006 . 2 . 2490 . . 216 LYS HE2 . 18853 1 2490 . 1 1 216 216 LYS HE3 H 1 2.989 0.004 . 2 . 1617 . . 216 LYS HE3 . 18853 1 2491 . 1 1 216 216 LYS C C 13 179.274 0.005 . 1 . 613 . . 216 LYS C . 18853 1 2492 . 1 1 216 216 LYS CA C 13 61.456 0.067 . 1 . 1386 . . 216 LYS CA . 18853 1 2493 . 1 1 216 216 LYS CB C 13 33.322 0.056 . 1 . 1385 . . 216 LYS CB . 18853 1 2494 . 1 1 216 216 LYS CG C 13 26.224 0.059 . 1 . 1389 . . 216 LYS CG . 18853 1 2495 . 1 1 216 216 LYS CD C 13 30.557 0.056 . 1 . 1388 . . 216 LYS CD . 18853 1 2496 . 1 1 216 216 LYS CE C 13 43.137 0.008 . 1 . 1390 . . 216 LYS CE . 18853 1 2497 . 1 1 216 216 LYS N N 15 118.932 0.025 . 1 . 240 . . 216 LYS N . 18853 1 2498 . 1 1 217 217 ALA H H 1 7.488 0.005 . 1 . 285 . . 217 ALA H . 18853 1 2499 . 1 1 217 217 ALA HA H 1 4.194 0.007 . 1 . 1613 . . 217 ALA HA . 18853 1 2500 . 1 1 217 217 ALA HB1 H 1 1.513 0.009 . 1 . 1622 . . 217 ALA HB1 . 18853 1 2501 . 1 1 217 217 ALA HB2 H 1 1.513 0.009 . 1 . 1622 . . 217 ALA HB2 . 18853 1 2502 . 1 1 217 217 ALA HB3 H 1 1.513 0.009 . 1 . 1622 . . 217 ALA HB3 . 18853 1 2503 . 1 1 217 217 ALA C C 13 180.243 0.1 . 1 . 648 . . 217 ALA C . 18853 1 2504 . 1 1 217 217 ALA CA C 13 55.858 0.074 . 1 . 1387 . . 217 ALA CA . 18853 1 2505 . 1 1 217 217 ALA CB C 13 19.128 0.06 . 1 . 1623 . . 217 ALA CB . 18853 1 2506 . 1 1 217 217 ALA N N 15 121.624 0.048 . 1 . 1618 . . 217 ALA N . 18853 1 2507 . 1 1 218 218 GLY H H 1 8.479 0.007 . 1 . 1606 . . 218 GLY H . 18853 1 2508 . 1 1 218 218 GLY HA2 H 1 3.599 0.01 . 2 . 2438 . . 218 GLY HA2 . 18853 1 2509 . 1 1 218 218 GLY HA3 H 1 4.007 0.006 . 2 . 1612 . . 218 GLY HA3 . 18853 1 2510 . 1 1 218 218 GLY C C 13 177.028 0.1 . 1 . 548 . . 218 GLY C . 18853 1 2511 . 1 1 218 218 GLY CA C 13 48.127 0.068 . 1 . 822 . . 218 GLY CA . 18853 1 2512 . 1 1 218 218 GLY N N 15 107.860 0.039 . 1 . 352 . . 218 GLY N . 18853 1 2513 . 1 1 219 219 ILE H H 1 8.681 0.007 . 1 . 169 . . 219 ILE H . 18853 1 2514 . 1 1 219 219 ILE HA H 1 3.651 0.011 . 1 . 1609 . . 219 ILE HA . 18853 1 2515 . 1 1 219 219 ILE HB H 1 1.858 0.006 . 1 . 1624 . . 219 ILE HB . 18853 1 2516 . 1 1 219 219 ILE HG12 H 1 0.642 0.007 . 2 . 2676 . . 219 ILE HG12 . 18853 1 2517 . 1 1 219 219 ILE HG13 H 1 1.856 0.005 . 2 . 2677 . . 219 ILE HG13 . 18853 1 2518 . 1 1 219 219 ILE HG21 H 1 0.861 0.011 . 1 . 1610 . . 219 ILE HG21 . 18853 1 2519 . 1 1 219 219 ILE HG22 H 1 0.861 0.011 . 1 . 1610 . . 219 ILE HG22 . 18853 1 2520 . 1 1 219 219 ILE HG23 H 1 0.861 0.011 . 1 . 1610 . . 219 ILE HG23 . 18853 1 2521 . 1 1 219 219 ILE HD11 H 1 0.766 0.005 . 1 . 1611 . . 219 ILE HD11 . 18853 1 2522 . 1 1 219 219 ILE HD12 H 1 0.766 0.005 . 1 . 1611 . . 219 ILE HD12 . 18853 1 2523 . 1 1 219 219 ILE HD13 H 1 0.766 0.005 . 1 . 1611 . . 219 ILE HD13 . 18853 1 2524 . 1 1 219 219 ILE C C 13 177.048 0.1 . 1 . 516 . . 219 ILE C . 18853 1 2525 . 1 1 219 219 ILE CA C 13 67.000 0.06 . 1 . 1026 . . 219 ILE CA . 18853 1 2526 . 1 1 219 219 ILE CB C 13 39.389 0.092 . 1 . 1625 . . 219 ILE CB . 18853 1 2527 . 1 1 219 219 ILE CG1 C 13 30.464 0.06 . 1 . 2675 . . 219 ILE CG1 . 18853 1 2528 . 1 1 219 219 ILE CG2 C 13 19.028 0.053 . 1 . 1310 . . 219 ILE CG2 . 18853 1 2529 . 1 1 219 219 ILE CD1 C 13 16.230 0.058 . 1 . 2377 . . 219 ILE CD1 . 18853 1 2530 . 1 1 219 219 ILE N N 15 124.166 0.034 . 1 . 170 . . 219 ILE N . 18853 1 2531 . 1 1 220 220 ALA H H 1 7.581 0.009 . 1 . 115 . . 220 ALA H . 18853 1 2532 . 1 1 220 220 ALA HA H 1 4.531 0.007 . 1 . 1607 . . 220 ALA HA . 18853 1 2533 . 1 1 220 220 ALA HB1 H 1 1.522 0.004 . 1 . 1608 . . 220 ALA HB1 . 18853 1 2534 . 1 1 220 220 ALA HB2 H 1 1.522 0.004 . 1 . 1608 . . 220 ALA HB2 . 18853 1 2535 . 1 1 220 220 ALA HB3 H 1 1.522 0.004 . 1 . 1608 . . 220 ALA HB3 . 18853 1 2536 . 1 1 220 220 ALA C C 13 181.024 0.1 . 1 . 666 . . 220 ALA C . 18853 1 2537 . 1 1 220 220 ALA CA C 13 56.049 0.084 . 1 . 788 . . 220 ALA CA . 18853 1 2538 . 1 1 220 220 ALA CB C 13 18.816 0.063 . 1 . 1626 . . 220 ALA CB . 18853 1 2539 . 1 1 220 220 ALA N N 15 121.843 0.037 . 1 . 116 . . 220 ALA N . 18853 1 2540 . 1 1 221 221 ASP H H 1 8.002 0.007 . 1 . 383 . . 221 ASP H . 18853 1 2541 . 1 1 221 221 ASP HA H 1 4.409 0.006 . 1 . 1603 . . 221 ASP HA . 18853 1 2542 . 1 1 221 221 ASP HB2 H 1 2.721 0.015 . 2 . 1605 . . 221 ASP HB2 . 18853 1 2543 . 1 1 221 221 ASP HB3 H 1 2.840 0.003 . 2 . 1604 . . 221 ASP HB3 . 18853 1 2544 . 1 1 221 221 ASP C C 13 177.904 0.035 . 1 . 707 . . 221 ASP C . 18853 1 2545 . 1 1 221 221 ASP CA C 13 58.263 0.095 . 1 . 843 . . 221 ASP CA . 18853 1 2546 . 1 1 221 221 ASP CB C 13 42.420 0.075 . 1 . 842 . . 221 ASP CB . 18853 1 2547 . 1 1 221 221 ASP N N 15 117.613 0.033 . 1 . 384 . . 221 ASP N . 18853 1 2548 . 1 1 222 222 TRP H H 1 8.356 0.005 . 1 . 445 . . 222 TRP H . 18853 1 2549 . 1 1 222 222 TRP HA H 1 4.001 0.007 . 1 . 1601 . . 222 TRP HA . 18853 1 2550 . 1 1 222 222 TRP HB2 H 1 3.724 0.012 . 2 . 1602 . . 222 TRP HB2 . 18853 1 2551 . 1 1 222 222 TRP HB3 H 1 3.198 0.007 . 2 . 2560 . . 222 TRP HB3 . 18853 1 2552 . 1 1 222 222 TRP HD1 H 1 7.482 0.006 . 1 . 2557 . . 222 TRP HD1 . 18853 1 2553 . 1 1 222 222 TRP HE1 H 1 9.774 0.006 . 1 . 306 . . 222 TRP HE1 . 18853 1 2554 . 1 1 222 222 TRP HZ2 H 1 6.036 0.004 . 1 . 2588 . . 222 TRP HZ2 . 18853 1 2555 . 1 1 222 222 TRP HH2 H 1 5.957 0.004 . 1 . 2589 . . 222 TRP HH2 . 18853 1 2556 . 1 1 222 222 TRP C C 13 177.227 0.1 . 1 . 512 . . 222 TRP C . 18853 1 2557 . 1 1 222 222 TRP CA C 13 64.169 0.068 . 1 . 877 . . 222 TRP CA . 18853 1 2558 . 1 1 222 222 TRP CB C 13 29.167 0.116 . 1 . 1355 . . 222 TRP CB . 18853 1 2559 . 1 1 222 222 TRP CD1 C 13 125.984 0.053 . 1 . 2558 . . 222 TRP CD1 . 18853 1 2560 . 1 1 222 222 TRP CZ2 C 13 113.753 0.024 . 1 . 2587 . . 222 TRP CZ2 . 18853 1 2561 . 1 1 222 222 TRP CH2 C 13 125.699 0.086 . 1 . 2590 . . 222 TRP CH2 . 18853 1 2562 . 1 1 222 222 TRP N N 15 123.405 0.04 . 1 . 446 . . 222 TRP N . 18853 1 2563 . 1 1 222 222 TRP NE1 N 15 131.650 0.023 . 1 . 307 . . 222 TRP NE1 . 18853 1 2564 . 1 1 223 223 GLN H H 1 8.647 0.007 . 1 . 107 . . 223 GLN H . 18853 1 2565 . 1 1 223 223 GLN HA H 1 3.107 0.007 . 1 . 2450 . . 223 GLN HA . 18853 1 2566 . 1 1 223 223 GLN HB2 H 1 1.869 0.009 . 2 . 2453 . . 223 GLN HB2 . 18853 1 2567 . 1 1 223 223 GLN HB3 H 1 2.357 0.005 . 2 . 1600 . . 223 GLN HB3 . 18853 1 2568 . 1 1 223 223 GLN HG2 H 1 2.177 0.009 . 2 . 2452 . . 223 GLN HG2 . 18853 1 2569 . 1 1 223 223 GLN HG3 H 1 2.949 0.005 . 2 . 2451 . . 223 GLN HG3 . 18853 1 2570 . 1 1 223 223 GLN C C 13 177.886 0.1 . 1 . 467 . . 223 GLN C . 18853 1 2571 . 1 1 223 223 GLN CA C 13 60.067 0.078 . 1 . 784 . . 223 GLN CA . 18853 1 2572 . 1 1 223 223 GLN CB C 13 31.242 0.097 . 1 . 1345 . . 223 GLN CB . 18853 1 2573 . 1 1 223 223 GLN CG C 13 37.266 0.069 . 1 . 1354 . . 223 GLN CG . 18853 1 2574 . 1 1 223 223 GLN N N 15 116.454 0.035 . 1 . 108 . . 223 GLN N . 18853 1 2575 . 1 1 224 224 LYS H H 1 7.050 0.006 . 1 . 21 . . 224 LYS H . 18853 1 2576 . 1 1 224 224 LYS HA H 1 3.872 0.007 . 1 . 1592 . . 224 LYS HA . 18853 1 2577 . 1 1 224 224 LYS HB2 H 1 1.849 0.01 . 2 . 1594 . . 224 LYS HB2 . 18853 1 2578 . 1 1 224 224 LYS HB3 H 1 1.814 0.007 . 2 . 2487 . . 224 LYS HB3 . 18853 1 2579 . 1 1 224 224 LYS HG2 H 1 1.572 0.004 . 2 . 2488 . . 224 LYS HG2 . 18853 1 2580 . 1 1 224 224 LYS HG3 H 1 1.359 0.005 . 2 . 1627 . . 224 LYS HG3 . 18853 1 2581 . 1 1 224 224 LYS HD2 H 1 1.627 0.013 . 2 . 1595 . . 224 LYS HD2 . 18853 1 2582 . 1 1 224 224 LYS HD3 H 1 1.620 0.009 . 2 . 2489 . . 224 LYS HD3 . 18853 1 2583 . 1 1 224 224 LYS HE2 H 1 2.939 0.005 . 2 . 2486 . . 224 LYS HE2 . 18853 1 2584 . 1 1 224 224 LYS HE3 H 1 2.934 0.006 . 2 . 1593 . . 224 LYS HE3 . 18853 1 2585 . 1 1 224 224 LYS C C 13 177.946 0.1 . 1 . 601 . . 224 LYS C . 18853 1 2586 . 1 1 224 224 LYS CA C 13 58.912 0.071 . 1 . 1343 . . 224 LYS CA . 18853 1 2587 . 1 1 224 224 LYS CB C 13 33.504 0.055 . 1 . 1344 . . 224 LYS CB . 18853 1 2588 . 1 1 224 224 LYS CG C 13 26.063 0.069 . 1 . 1351 . . 224 LYS CG . 18853 1 2589 . 1 1 224 224 LYS CD C 13 30.103 0.062 . 1 . 1352 . . 224 LYS CD . 18853 1 2590 . 1 1 224 224 LYS CE C 13 43.215 0.02 . 1 . 1353 . . 224 LYS CE . 18853 1 2591 . 1 1 224 224 LYS N N 15 114.985 0.054 . 1 . 22 . . 224 LYS N . 18853 1 2592 . 1 1 225 225 ARG H H 1 7.397 0.004 . 1 . 267 . . 225 ARG H . 18853 1 2593 . 1 1 225 225 ARG HA H 1 3.812 0.007 . 1 . 1589 . . 225 ARG HA . 18853 1 2594 . 1 1 225 225 ARG HB2 H 1 1.646 0.006 . 2 . 1591 . . 225 ARG HB2 . 18853 1 2595 . 1 1 225 225 ARG HB3 H 1 1.278 0.005 . 2 . 2520 . . 225 ARG HB3 . 18853 1 2596 . 1 1 225 225 ARG HG2 H 1 1.148 0.004 . 2 . 2519 . . 225 ARG HG2 . 18853 1 2597 . 1 1 225 225 ARG HG3 H 1 1.622 0.007 . 2 . 2521 . . 225 ARG HG3 . 18853 1 2598 . 1 1 225 225 ARG HD2 H 1 3.204 0.007 . 2 . 1590 . . 225 ARG HD2 . 18853 1 2599 . 1 1 225 225 ARG HD3 H 1 3.102 0.007 . 2 . 2522 . . 225 ARG HD3 . 18853 1 2600 . 1 1 225 225 ARG HE H 1 7.196 0.002 . 1 . 314 . . 225 ARG HE . 18853 1 2601 . 1 1 225 225 ARG C C 13 176.317 0.1 . 1 . 549 . . 225 ARG C . 18853 1 2602 . 1 1 225 225 ARG CA C 13 59.340 0.09 . 1 . 1346 . . 225 ARG CA . 18853 1 2603 . 1 1 225 225 ARG CB C 13 32.314 0.09 . 1 . 1342 . . 225 ARG CB . 18853 1 2604 . 1 1 225 225 ARG CG C 13 29.710 0.079 . 1 . 1349 . . 225 ARG CG . 18853 1 2605 . 1 1 225 225 ARG CD C 13 44.617 0.033 . 1 . 1350 . . 225 ARG CD . 18853 1 2606 . 1 1 225 225 ARG CZ C 13 160.327 0.1 . 1 . 630 . . 225 ARG CZ . 18853 1 2607 . 1 1 225 225 ARG N N 15 119.606 0.035 . 1 . 268 . . 225 ARG N . 18853 1 2608 . 1 1 225 225 ARG NE N 15 84.608 0.1 . 1 . 315 . . 225 ARG NE . 18853 1 2609 . 1 1 226 226 TYR H H 1 7.253 0.007 . 1 . 171 . . 226 TYR H . 18853 1 2610 . 1 1 226 226 TYR HA H 1 4.566 0.006 . 1 . 1588 . . 226 TYR HA . 18853 1 2611 . 1 1 226 226 TYR HB2 H 1 1.438 0.005 . 2 . 2594 . . 226 TYR HB2 . 18853 1 2612 . 1 1 226 226 TYR HB3 H 1 2.559 0.009 . 2 . 2595 . . 226 TYR HB3 . 18853 1 2613 . 1 1 226 226 TYR HD1 H 1 6.731 0.006 . 3 . 2562 . . 226 TYR HD1 . 18853 1 2614 . 1 1 226 226 TYR HD2 H 1 6.731 0.006 . 3 . 2562 . . 226 TYR HD2 . 18853 1 2615 . 1 1 226 226 TYR HE1 H 1 6.824 0.003 . 3 . 2559 . . 226 TYR HE1 . 18853 1 2616 . 1 1 226 226 TYR HE2 H 1 6.824 0.003 . 3 . 2559 . . 226 TYR HE2 . 18853 1 2617 . 1 1 226 226 TYR CA C 13 56.814 0.042 . 1 . 1347 . . 226 TYR CA . 18853 1 2618 . 1 1 226 226 TYR CB C 13 38.594 0.058 . 1 . 1348 . . 226 TYR CB . 18853 1 2619 . 1 1 226 226 TYR CD1 C 13 135.489 0.096 . 3 . 2596 . . 226 TYR CD1 . 18853 1 2620 . 1 1 226 226 TYR CD2 C 13 135.489 0.096 . 3 . 2596 . . 226 TYR CD2 . 18853 1 2621 . 1 1 226 226 TYR CE1 C 13 118.059 0.054 . 3 . 2561 . . 226 TYR CE1 . 18853 1 2622 . 1 1 226 226 TYR CE2 C 13 118.059 0.054 . 3 . 2561 . . 226 TYR CE2 . 18853 1 2623 . 1 1 226 226 TYR N N 15 116.235 0.041 . 1 . 172 . . 226 TYR N . 18853 1 2624 . 1 1 227 227 PRO HA H 1 4.072 0.001 . 1 . 2635 . . 227 PRO HA . 18853 1 2625 . 1 1 227 227 PRO HB2 H 1 2.064 0.008 . 2 . 2641 . . 227 PRO HB2 . 18853 1 2626 . 1 1 227 227 PRO HB3 H 1 1.735 0.009 . 2 . 2640 . . 227 PRO HB3 . 18853 1 2627 . 1 1 227 227 PRO HG2 H 1 1.785 0.014 . 2 . 2639 . . 227 PRO HG2 . 18853 1 2628 . 1 1 227 227 PRO HG3 H 1 1.631 0.006 . 2 . 2638 . . 227 PRO HG3 . 18853 1 2629 . 1 1 227 227 PRO HD2 H 1 3.002 0.014 . 2 . 2637 . . 227 PRO HD2 . 18853 1 2630 . 1 1 227 227 PRO HD3 H 1 3.185 0.007 . 2 . 2636 . . 227 PRO HD3 . 18853 1 2631 . 1 1 227 227 PRO C C 13 177.305 0.1 . 1 . 709 . . 227 PRO C . 18853 1 2632 . 1 1 227 227 PRO CA C 13 65.593 0.073 . 1 . 1446 . . 227 PRO CA . 18853 1 2633 . 1 1 227 227 PRO CB C 13 32.679 0.088 . 1 . 1445 . . 227 PRO CB . 18853 1 2634 . 1 1 227 227 PRO CG C 13 28.035 0.066 . 1 . 1447 . . 227 PRO CG . 18853 1 2635 . 1 1 227 227 PRO CD C 13 50.527 0.06 . 1 . 1448 . . 227 PRO CD . 18853 1 2636 . 1 1 228 228 ASN H H 1 8.000 0.014 . 1 . 449 . . 228 ASN H . 18853 1 2637 . 1 1 228 228 ASN HA H 1 4.599 0.007 . 1 . 1585 . . 228 ASN HA . 18853 1 2638 . 1 1 228 228 ASN HB2 H 1 2.646 0.006 . 2 . 1584 . . 228 ASN HB2 . 18853 1 2639 . 1 1 228 228 ASN HB3 H 1 2.769 0.009 . 2 . 1583 . . 228 ASN HB3 . 18853 1 2640 . 1 1 228 228 ASN HD21 H 1 6.878 0.011 . 1 . 928 . . 228 ASN HD21 . 18853 1 2641 . 1 1 228 228 ASN HD22 H 1 7.399 0.007 . 1 . 926 . . 228 ASN HD22 . 18853 1 2642 . 1 1 228 228 ASN C C 13 175.450 0.001 . 1 . 508 . . 228 ASN C . 18853 1 2643 . 1 1 228 228 ASN CA C 13 53.335 0.082 . 1 . 878 . . 228 ASN CA . 18853 1 2644 . 1 1 228 228 ASN CB C 13 39.381 0.117 . 1 . 879 . . 228 ASN CB . 18853 1 2645 . 1 1 228 228 ASN CG C 13 177.687 0.1 . 1 . 2447 . . 228 ASN CG . 18853 1 2646 . 1 1 228 228 ASN N N 15 112.641 0.061 . 1 . 450 . . 228 ASN N . 18853 1 2647 . 1 1 228 228 ASN ND2 N 15 113.058 0.071 . 1 . 927 . . 228 ASN ND2 . 18853 1 2648 . 1 1 229 229 ASN H H 1 7.673 0.005 . 1 . 99 . . 229 ASN H . 18853 1 2649 . 1 1 229 229 ASN HA H 1 4.396 0.008 . 1 . 1586 . . 229 ASN HA . 18853 1 2650 . 1 1 229 229 ASN HB2 H 1 2.531 0.008 . 2 . 1587 . . 229 ASN HB2 . 18853 1 2651 . 1 1 229 229 ASN HB3 H 1 2.265 0.008 . 2 . 2446 . . 229 ASN HB3 . 18853 1 2652 . 1 1 229 229 ASN CA C 13 53.644 0.09 . 1 . 780 . . 229 ASN CA . 18853 1 2653 . 1 1 229 229 ASN CB C 13 41.125 0.082 . 1 . 779 . . 229 ASN CB . 18853 1 2654 . 1 1 229 229 ASN N N 15 123.855 0.047 . 1 . 100 . . 229 ASN N . 18853 1 2655 . 1 1 230 230 PRO HA H 1 4.094 0.006 . 1 . 1579 . . 230 PRO HA . 18853 1 2656 . 1 1 230 230 PRO HB2 H 1 1.953 0.006 . 2 . 1582 . . 230 PRO HB2 . 18853 1 2657 . 1 1 230 230 PRO HB3 H 1 2.382 0.003 . 2 . 1581 . . 230 PRO HB3 . 18853 1 2658 . 1 1 230 230 PRO HG2 H 1 2.382 0.003 . 2 . 2699 . . 230 PRO HG2 . 18853 1 2659 . 1 1 230 230 PRO HG3 H 1 1.963 0.005 . 2 . 2700 . . 230 PRO HG3 . 18853 1 2660 . 1 1 230 230 PRO HD2 H 1 3.922 0.004 . 2 . 2634 . . 230 PRO HD2 . 18853 1 2661 . 1 1 230 230 PRO HD3 H 1 3.447 0.008 . 2 . 2633 . . 230 PRO HD3 . 18853 1 2662 . 1 1 230 230 PRO C C 13 178.591 0.1 . 1 . 662 . . 230 PRO C . 18853 1 2663 . 1 1 230 230 PRO CA C 13 67.209 0.054 . 1 . 1128 . . 230 PRO CA . 18853 1 2664 . 1 1 230 230 PRO CB C 13 33.948 0.095 . 1 . 1129 . . 230 PRO CB . 18853 1 2665 . 1 1 230 230 PRO CG C 13 29.394 0.049 . 1 . 2698 . . 230 PRO CG . 18853 1 2666 . 1 1 230 230 PRO CD C 13 52.157 0.111 . 1 . 1311 . . 230 PRO CD . 18853 1 2667 . 1 1 231 231 GLY H H 1 8.742 0.007 . 1 . 375 . . 231 GLY H . 18853 1 2668 . 1 1 231 231 GLY HA2 H 1 3.201 0.005 . 2 . 2653 . . 231 GLY HA2 . 18853 1 2669 . 1 1 231 231 GLY HA3 H 1 4.451 0.007 . 2 . 1580 . . 231 GLY HA3 . 18853 1 2670 . 1 1 231 231 GLY C C 13 172.525 0.1 . 1 . 534 . . 231 GLY C . 18853 1 2671 . 1 1 231 231 GLY CA C 13 46.336 0.095 . 1 . 805 . . 231 GLY CA . 18853 1 2672 . 1 1 231 231 GLY N N 15 104.291 0.027 . 1 . 376 . . 231 GLY N . 18853 1 2673 . 1 1 232 232 ALA H H 1 7.535 0.005 . 1 . 147 . . 232 ALA H . 18853 1 2674 . 1 1 232 232 ALA HA H 1 4.155 0.012 . 1 . 2257 . . 232 ALA HA . 18853 1 2675 . 1 1 232 232 ALA HB1 H 1 1.073 0.005 . 1 . 1578 . . 232 ALA HB1 . 18853 1 2676 . 1 1 232 232 ALA HB2 H 1 1.073 0.005 . 1 . 1578 . . 232 ALA HB2 . 18853 1 2677 . 1 1 232 232 ALA HB3 H 1 1.073 0.005 . 1 . 1578 . . 232 ALA HB3 . 18853 1 2678 . 1 1 232 232 ALA C C 13 179.689 0.003 . 1 . 664 . . 232 ALA C . 18853 1 2679 . 1 1 232 232 ALA CA C 13 55.118 0.077 . 1 . 804 . . 232 ALA CA . 18853 1 2680 . 1 1 232 232 ALA CB C 13 19.766 0.07 . 1 . 1312 . . 232 ALA CB . 18853 1 2681 . 1 1 232 232 ALA N N 15 118.719 0.04 . 1 . 148 . . 232 ALA N . 18853 1 2682 . 1 1 233 233 LYS H H 1 6.879 0.005 . 1 . 379 . . 233 LYS H . 18853 1 2683 . 1 1 233 233 LYS HA H 1 4.162 0.006 . 1 . 1572 . . 233 LYS HA . 18853 1 2684 . 1 1 233 233 LYS HB2 H 1 1.736 0.004 . 2 . 2483 . . 233 LYS HB2 . 18853 1 2685 . 1 1 233 233 LYS HB3 H 1 1.834 0.008 . 2 . 1574 . . 233 LYS HB3 . 18853 1 2686 . 1 1 233 233 LYS HG2 H 1 1.362 0.004 . 2 . 1577 . . 233 LYS HG2 . 18853 1 2687 . 1 1 233 233 LYS HG3 H 1 1.437 0.007 . 2 . 1576 . . 233 LYS HG3 . 18853 1 2688 . 1 1 233 233 LYS HD2 H 1 1.596 0.013 . 2 . 2484 . . 233 LYS HD2 . 18853 1 2689 . 1 1 233 233 LYS HD3 H 1 1.630 0.008 . 2 . 1575 . . 233 LYS HD3 . 18853 1 2690 . 1 1 233 233 LYS HE2 H 1 2.926 0.007 . 2 . 2485 . . 233 LYS HE2 . 18853 1 2691 . 1 1 233 233 LYS HE3 H 1 2.933 0.007 . 2 . 1573 . . 233 LYS HE3 . 18853 1 2692 . 1 1 233 233 LYS C C 13 176.575 0.024 . 1 . 497 . . 233 LYS C . 18853 1 2693 . 1 1 233 233 LYS CA C 13 57.944 0.064 . 1 . 839 . . 233 LYS CA . 18853 1 2694 . 1 1 233 233 LYS CB C 13 34.491 0.05 . 1 . 838 . . 233 LYS CB . 18853 1 2695 . 1 1 233 233 LYS CG C 13 26.059 0.047 . 1 . 1315 . . 233 LYS CG . 18853 1 2696 . 1 1 233 233 LYS CD C 13 30.069 0.065 . 1 . 1314 . . 233 LYS CD . 18853 1 2697 . 1 1 233 233 LYS CE C 13 43.150 0.064 . 1 . 1313 . . 233 LYS CE . 18853 1 2698 . 1 1 233 233 LYS N N 15 115.929 0.035 . 1 . 380 . . 233 LYS N . 18853 1 2699 . 1 1 234 234 MET H H 1 7.634 0.005 . 1 . 71 . . 234 MET H . 18853 1 2700 . 1 1 234 234 MET HA H 1 4.312 0.005 . 1 . 2367 . . 234 MET HA . 18853 1 2701 . 1 1 234 234 MET HB2 H 1 2.045 0.006 . 2 . 2368 . . 234 MET HB2 . 18853 1 2702 . 1 1 234 234 MET HB3 H 1 1.788 0.007 . 2 . 2369 . . 234 MET HB3 . 18853 1 2703 . 1 1 234 234 MET HG2 H 1 2.243 0.006 . 2 . 2370 . . 234 MET HG2 . 18853 1 2704 . 1 1 234 234 MET HG3 H 1 2.376 0.005 . 2 . 2371 . . 234 MET HG3 . 18853 1 2705 . 1 1 234 234 MET C C 13 171.407 0.1 . 1 . 654 . . 234 MET C . 18853 1 2706 . 1 1 234 234 MET CA C 13 55.569 0.067 . 1 . 1113 . . 234 MET CA . 18853 1 2707 . 1 1 234 234 MET CB C 13 35.334 0.068 . 1 . 1114 . . 234 MET CB . 18853 1 2708 . 1 1 234 234 MET CG C 13 32.985 0.026 . 1 . 1316 . . 234 MET CG . 18853 1 2709 . 1 1 234 234 MET CE C 13 17.670 0.1 . 1 . 1317 . . 234 MET CE . 18853 1 2710 . 1 1 234 234 MET N N 15 123.511 0.035 . 1 . 72 . . 234 MET N . 18853 1 2711 . 1 1 235 235 LEU H H 1 7.519 0.01 . 1 . 655 . . 235 LEU H . 18853 1 2712 . 1 1 235 235 LEU HA H 1 4.738 0.008 . 1 . 2292 . . 235 LEU HA . 18853 1 2713 . 1 1 235 235 LEU HB2 H 1 1.026 0.006 . 2 . 2294 . . 235 LEU HB2 . 18853 1 2714 . 1 1 235 235 LEU HB3 H 1 1.340 0.012 . 2 . 2293 . . 235 LEU HB3 . 18853 1 2715 . 1 1 235 235 LEU HG H 1 1.646 0.008 . 1 . 1797 . . 235 LEU HG . 18853 1 2716 . 1 1 235 235 LEU HD11 H 1 0.762 0.006 . 2 . 2296 . . 235 LEU HD11 . 18853 1 2717 . 1 1 235 235 LEU HD12 H 1 0.762 0.006 . 2 . 2296 . . 235 LEU HD12 . 18853 1 2718 . 1 1 235 235 LEU HD13 H 1 0.762 0.006 . 2 . 2296 . . 235 LEU HD13 . 18853 1 2719 . 1 1 235 235 LEU HD21 H 1 0.740 0.008 . 2 . 2295 . . 235 LEU HD21 . 18853 1 2720 . 1 1 235 235 LEU HD22 H 1 0.740 0.008 . 2 . 2295 . . 235 LEU HD22 . 18853 1 2721 . 1 1 235 235 LEU HD23 H 1 0.740 0.008 . 2 . 2295 . . 235 LEU HD23 . 18853 1 2722 . 1 1 235 235 LEU CA C 13 54.575 0.082 . 1 . 825 . . 235 LEU CA . 18853 1 2723 . 1 1 235 235 LEU CB C 13 43.837 0.076 . 1 . 826 . . 235 LEU CB . 18853 1 2724 . 1 1 235 235 LEU CD1 C 13 25.283 0.04 . 2 . 2297 . . 235 LEU CD1 . 18853 1 2725 . 1 1 235 235 LEU CD2 C 13 26.846 0.021 . 2 . 2298 . . 235 LEU CD2 . 18853 1 2726 . 1 1 235 235 LEU N N 15 121.946 0.05 . 1 . 656 . . 235 LEU N . 18853 1 2727 . 1 1 236 236 PRO HA H 1 4.512 0.016 . 1 . 1569 . . 236 PRO HA . 18853 1 2728 . 1 1 236 236 PRO HB2 H 1 2.265 0.007 . 2 . 1571 . . 236 PRO HB2 . 18853 1 2729 . 1 1 236 236 PRO HB3 H 1 2.436 0.01 . 2 . 1570 . . 236 PRO HB3 . 18853 1 2730 . 1 1 236 236 PRO C C 13 177.650 0.1 . 1 . 637 . . 236 PRO C . 18853 1 2731 . 1 1 236 236 PRO CA C 13 63.862 0.146 . 1 . 1318 . . 236 PRO CA . 18853 1 2732 . 1 1 236 236 PRO CB C 13 32.964 0.053 . 1 . 1037 . . 236 PRO CB . 18853 1 2733 . 1 1 236 236 PRO CG C 13 26.773 0.1 . 1 . 1320 . . 236 PRO CG . 18853 1 2734 . 1 1 236 236 PRO CD C 13 50.601 0.1 . 1 . 1319 . . 236 PRO CD . 18853 1 2735 . 1 1 237 237 THR H H 1 9.960 0.004 . 1 . 328 . . 237 THR H . 18853 1 2736 . 1 1 237 237 THR HA H 1 3.622 0.004 . 1 . 1568 . . 237 THR HA . 18853 1 2737 . 1 1 237 237 THR HB H 1 3.900 0.009 . 1 . 2259 . . 237 THR HB . 18853 1 2738 . 1 1 237 237 THR HG21 H 1 1.207 0.005 . 1 . 1565 . . 237 THR HG21 . 18853 1 2739 . 1 1 237 237 THR HG22 H 1 1.207 0.005 . 1 . 1565 . . 237 THR HG22 . 18853 1 2740 . 1 1 237 237 THR HG23 H 1 1.207 0.005 . 1 . 1565 . . 237 THR HG23 . 18853 1 2741 . 1 1 237 237 THR C C 13 177.136 0.1 . 1 . 509 . . 237 THR C . 18853 1 2742 . 1 1 237 237 THR CA C 13 67.679 0.112 . 1 . 1036 . . 237 THR CA . 18853 1 2743 . 1 1 237 237 THR CB C 13 69.522 0.069 . 1 . 1341 . . 237 THR CB . 18853 1 2744 . 1 1 237 237 THR CG2 C 13 22.879 0.067 . 1 . 1321 . . 237 THR CG2 . 18853 1 2745 . 1 1 237 237 THR N N 15 125.442 0.045 . 1 . 329 . . 237 THR N . 18853 1 2746 . 1 1 238 238 GLN H H 1 9.722 0.013 . 1 . 101 . . 238 GLN H . 18853 1 2747 . 1 1 238 238 GLN HA H 1 3.922 0.005 . 1 . 1564 . . 238 GLN HA . 18853 1 2748 . 1 1 238 238 GLN HB2 H 1 1.635 0.004 . 2 . 2671 . . 238 GLN HB2 . 18853 1 2749 . 1 1 238 238 GLN HB3 H 1 2.122 0.005 . 2 . 1567 . . 238 GLN HB3 . 18853 1 2750 . 1 1 238 238 GLN HG2 H 1 2.609 0.006 . 2 . 2449 . . 238 GLN HG2 . 18853 1 2751 . 1 1 238 238 GLN HG3 H 1 2.399 0.015 . 2 . 1566 . . 238 GLN HG3 . 18853 1 2752 . 1 1 238 238 GLN HE21 H 1 7.408 0.008 . 1 . 964 . . 238 GLN HE21 . 18853 1 2753 . 1 1 238 238 GLN HE22 H 1 6.911 0.009 . 1 . 966 . . 238 GLN HE22 . 18853 1 2754 . 1 1 238 238 GLN C C 13 177.397 0.001 . 1 . 561 . . 238 GLN C . 18853 1 2755 . 1 1 238 238 GLN CA C 13 59.762 0.058 . 1 . 1031 . . 238 GLN CA . 18853 1 2756 . 1 1 238 238 GLN CB C 13 29.889 0.067 . 1 . 871 . . 238 GLN CB . 18853 1 2757 . 1 1 238 238 GLN CG C 13 34.969 0.065 . 1 . 1322 . . 238 GLN CG . 18853 1 2758 . 1 1 238 238 GLN CD C 13 180.318 0.002 . 1 . 2786 . . 238 GLN CD . 18853 1 2759 . 1 1 238 238 GLN N N 15 118.428 0.036 . 1 . 102 . . 238 GLN N . 18853 1 2760 . 1 1 238 238 GLN NE2 N 15 109.913 0.001 . 1 . 965 . . 238 GLN NE2 . 18853 1 2761 . 1 1 239 239 LEU H H 1 7.412 0.006 . 1 . 195 . . 239 LEU H . 18853 1 2762 . 1 1 239 239 LEU HA H 1 4.195 0.007 . 1 . 1563 . . 239 LEU HA . 18853 1 2763 . 1 1 239 239 LEU HB2 H 1 1.220 0.012 . 2 . 2234 . . 239 LEU HB2 . 18853 1 2764 . 1 1 239 239 LEU HB3 H 1 1.231 0.019 . 2 . 2394 . . 239 LEU HB3 . 18853 1 2765 . 1 1 239 239 LEU HG H 1 0.318 0.003 . 1 . 2395 . . 239 LEU HG . 18853 1 2766 . 1 1 239 239 LEU HD11 H 1 -0.510 0.007 . 2 . 2231 . . 239 LEU HD11 . 18853 1 2767 . 1 1 239 239 LEU HD12 H 1 -0.510 0.007 . 2 . 2231 . . 239 LEU HD12 . 18853 1 2768 . 1 1 239 239 LEU HD13 H 1 -0.510 0.007 . 2 . 2231 . . 239 LEU HD13 . 18853 1 2769 . 1 1 239 239 LEU HD21 H 1 0.316 0.003 . 2 . 2233 . . 239 LEU HD21 . 18853 1 2770 . 1 1 239 239 LEU HD22 H 1 0.316 0.003 . 2 . 2233 . . 239 LEU HD22 . 18853 1 2771 . 1 1 239 239 LEU HD23 H 1 0.316 0.003 . 2 . 2233 . . 239 LEU HD23 . 18853 1 2772 . 1 1 239 239 LEU C C 13 176.896 0.003 . 1 . 577 . . 239 LEU C . 18853 1 2773 . 1 1 239 239 LEU CA C 13 55.460 0.071 . 1 . 1033 . . 239 LEU CA . 18853 1 2774 . 1 1 239 239 LEU CB C 13 43.077 0.117 . 1 . 1032 . . 239 LEU CB . 18853 1 2775 . 1 1 239 239 LEU CG C 13 27.376 0.059 . 1 . 1323 . . 239 LEU CG . 18853 1 2776 . 1 1 239 239 LEU CD1 C 13 25.303 0.036 . 2 . 1324 . . 239 LEU CD1 . 18853 1 2777 . 1 1 239 239 LEU CD2 C 13 22.530 0.016 . 2 . 1325 . . 239 LEU CD2 . 18853 1 2778 . 1 1 239 239 LEU N N 15 114.007 0.03 . 1 . 196 . . 239 LEU N . 18853 1 2779 . 1 1 240 240 VAL H H 1 7.313 0.006 . 1 . 227 . . 240 VAL H . 18853 1 2780 . 1 1 240 240 VAL HA H 1 3.677 0.008 . 1 . 1562 . . 240 VAL HA . 18853 1 2781 . 1 1 240 240 VAL HB H 1 2.035 0.006 . 1 . 1561 . . 240 VAL HB . 18853 1 2782 . 1 1 240 240 VAL HG11 H 1 0.866 0.005 . 2 . 1560 . . 240 VAL HG11 . 18853 1 2783 . 1 1 240 240 VAL HG12 H 1 0.866 0.005 . 2 . 1560 . . 240 VAL HG12 . 18853 1 2784 . 1 1 240 240 VAL HG13 H 1 0.866 0.005 . 2 . 1560 . . 240 VAL HG13 . 18853 1 2785 . 1 1 240 240 VAL HG21 H 1 0.895 0.007 . 2 . 2270 . . 240 VAL HG21 . 18853 1 2786 . 1 1 240 240 VAL HG22 H 1 0.895 0.007 . 2 . 2270 . . 240 VAL HG22 . 18853 1 2787 . 1 1 240 240 VAL HG23 H 1 0.895 0.007 . 2 . 2270 . . 240 VAL HG23 . 18853 1 2788 . 1 1 240 240 VAL C C 13 176.694 0.007 . 1 . 514 . . 240 VAL C . 18853 1 2789 . 1 1 240 240 VAL CA C 13 65.655 0.063 . 1 . 1034 . . 240 VAL CA . 18853 1 2790 . 1 1 240 240 VAL CB C 13 33.201 0.085 . 1 . 1035 . . 240 VAL CB . 18853 1 2791 . 1 1 240 240 VAL CG1 C 13 22.168 0.038 . 2 . 1326 . . 240 VAL CG1 . 18853 1 2792 . 1 1 240 240 VAL CG2 C 13 23.315 0.044 . 2 . 1327 . . 240 VAL CG2 . 18853 1 2793 . 1 1 240 240 VAL N N 15 119.023 0.036 . 1 . 228 . . 240 VAL N . 18853 1 2794 . 1 1 241 241 ASN H H 1 7.749 0.006 . 1 . 111 . . 241 ASN H . 18853 1 2795 . 1 1 241 241 ASN HA H 1 4.696 0.007 . 1 . 1557 . . 241 ASN HA . 18853 1 2796 . 1 1 241 241 ASN HB2 H 1 2.812 0.007 . 2 . 1558 . . 241 ASN HB2 . 18853 1 2797 . 1 1 241 241 ASN HB3 H 1 2.655 0.006 . 2 . 1559 . . 241 ASN HB3 . 18853 1 2798 . 1 1 241 241 ASN HD21 H 1 6.785 0.008 . 1 . 949 . . 241 ASN HD21 . 18853 1 2799 . 1 1 241 241 ASN HD22 H 1 7.390 0.006 . 1 . 947 . . 241 ASN HD22 . 18853 1 2800 . 1 1 241 241 ASN C C 13 175.353 0.009 . 1 . 507 . . 241 ASN C . 18853 1 2801 . 1 1 241 241 ASN CA C 13 54.228 0.06 . 1 . 1039 . . 241 ASN CA . 18853 1 2802 . 1 1 241 241 ASN CB C 13 39.541 0.047 . 1 . 1038 . . 241 ASN CB . 18853 1 2803 . 1 1 241 241 ASN CG C 13 177.022 0.03 . 1 . 2324 . . 241 ASN CG . 18853 1 2804 . 1 1 241 241 ASN N N 15 118.188 0.026 . 1 . 112 . . 241 ASN N . 18853 1 2805 . 1 1 241 241 ASN ND2 N 15 111.938 0.004 . 1 . 948 . . 241 ASN ND2 . 18853 1 2806 . 1 1 242 242 VAL H H 1 7.497 0.006 . 1 . 97 . . 242 VAL H . 18853 1 2807 . 1 1 242 242 VAL HA H 1 3.927 0.004 . 1 . 1554 . . 242 VAL HA . 18853 1 2808 . 1 1 242 242 VAL HB H 1 2.091 0.005 . 1 . 1553 . . 242 VAL HB . 18853 1 2809 . 1 1 242 242 VAL HG11 H 1 0.905 0.006 . 2 . 1556 . . 242 VAL HG11 . 18853 1 2810 . 1 1 242 242 VAL HG12 H 1 0.905 0.006 . 2 . 1556 . . 242 VAL HG12 . 18853 1 2811 . 1 1 242 242 VAL HG13 H 1 0.905 0.006 . 2 . 1556 . . 242 VAL HG13 . 18853 1 2812 . 1 1 242 242 VAL HG21 H 1 0.980 0.004 . 2 . 1555 . . 242 VAL HG21 . 18853 1 2813 . 1 1 242 242 VAL HG22 H 1 0.980 0.004 . 2 . 1555 . . 242 VAL HG22 . 18853 1 2814 . 1 1 242 242 VAL HG23 H 1 0.980 0.004 . 2 . 1555 . . 242 VAL HG23 . 18853 1 2815 . 1 1 242 242 VAL C C 13 176.038 0.017 . 1 . 671 . . 242 VAL C . 18853 1 2816 . 1 1 242 242 VAL CA C 13 64.547 0.054 . 1 . 778 . . 242 VAL CA . 18853 1 2817 . 1 1 242 242 VAL CB C 13 33.042 0.063 . 1 . 777 . . 242 VAL CB . 18853 1 2818 . 1 1 242 242 VAL CG1 C 13 22.213 0.065 . 2 . 2662 . . 242 VAL CG1 . 18853 1 2819 . 1 1 242 242 VAL CG2 C 13 22.133 0.025 . 2 . 1328 . . 242 VAL CG2 . 18853 1 2820 . 1 1 242 242 VAL N N 15 119.604 0.037 . 1 . 98 . . 242 VAL N . 18853 1 2821 . 1 1 243 243 LYS H H 1 8.003 0.011 . 1 . 393 . . 243 LYS H . 18853 1 2822 . 1 1 243 243 LYS HA H 1 4.228 0.008 . 1 . 1547 . . 243 LYS HA . 18853 1 2823 . 1 1 243 243 LYS HB2 H 1 1.822 0.005 . 2 . 1549 . . 243 LYS HB2 . 18853 1 2824 . 1 1 243 243 LYS HB3 H 1 1.720 0.009 . 2 . 1550 . . 243 LYS HB3 . 18853 1 2825 . 1 1 243 243 LYS HG2 H 1 1.439 0.004 . 2 . 2480 . . 243 LYS HG2 . 18853 1 2826 . 1 1 243 243 LYS HG3 H 1 1.409 0.019 . 2 . 1552 . . 243 LYS HG3 . 18853 1 2827 . 1 1 243 243 LYS HD2 H 1 1.638 0.005 . 2 . 2481 . . 243 LYS HD2 . 18853 1 2828 . 1 1 243 243 LYS HD3 H 1 1.641 0.004 . 2 . 1551 . . 243 LYS HD3 . 18853 1 2829 . 1 1 243 243 LYS HE2 H 1 2.963 0.011 . 2 . 2482 . . 243 LYS HE2 . 18853 1 2830 . 1 1 243 243 LYS HE3 H 1 2.965 0.011 . 2 . 1548 . . 243 LYS HE3 . 18853 1 2831 . 1 1 243 243 LYS C C 13 175.957 0.02 . 1 . 615 . . 243 LYS C . 18853 1 2832 . 1 1 243 243 LYS CA C 13 57.473 0.056 . 1 . 1040 . . 243 LYS CA . 18853 1 2833 . 1 1 243 243 LYS CB C 13 34.154 0.084 . 1 . 848 . . 243 LYS CB . 18853 1 2834 . 1 1 243 243 LYS CG C 13 25.876 0.071 . 1 . 1331 . . 243 LYS CG . 18853 1 2835 . 1 1 243 243 LYS CD C 13 30.087 0.054 . 1 . 1330 . . 243 LYS CD . 18853 1 2836 . 1 1 243 243 LYS CE C 13 43.120 0.078 . 1 . 1329 . . 243 LYS CE . 18853 1 2837 . 1 1 243 243 LYS N N 15 122.640 0.033 . 1 . 394 . . 243 LYS N . 18853 1 2838 . 1 1 244 244 ALA H H 1 7.909 0.011 . 1 . 286 . . 244 ALA H . 18853 1 2839 . 1 1 244 244 ALA HA H 1 4.245 0.009 . 1 . 1546 . . 244 ALA HA . 18853 1 2840 . 1 1 244 244 ALA HB1 H 1 1.314 0.005 . 1 . 1545 . . 244 ALA HB1 . 18853 1 2841 . 1 1 244 244 ALA HB2 H 1 1.314 0.005 . 1 . 1545 . . 244 ALA HB2 . 18853 1 2842 . 1 1 244 244 ALA HB3 H 1 1.314 0.005 . 1 . 1545 . . 244 ALA HB3 . 18853 1 2843 . 1 1 244 244 ALA C C 13 177.028 0.008 . 1 . 687 . . 244 ALA C . 18853 1 2844 . 1 1 244 244 ALA CA C 13 53.286 0.089 . 1 . 1042 . . 244 ALA CA . 18853 1 2845 . 1 1 244 244 ALA CB C 13 20.359 0.069 . 1 . 1041 . . 244 ALA CB . 18853 1 2846 . 1 1 244 244 ALA N N 15 122.727 0.04 . 1 . 287 . . 244 ALA N . 18853 1 2847 . 1 1 245 245 PHE H H 1 7.920 0.012 . 1 . 409 . . 245 PHE H . 18853 1 2848 . 1 1 245 245 PHE HA H 1 4.538 0.004 . 1 . 1538 . . 245 PHE HA . 18853 1 2849 . 1 1 245 245 PHE HB2 H 1 3.075 0.006 . 2 . 1539 . . 245 PHE HB2 . 18853 1 2850 . 1 1 245 245 PHE HB3 H 1 3.028 0.021 . 2 . 2246 . . 245 PHE HB3 . 18853 1 2851 . 1 1 245 245 PHE HD1 H 1 7.229 0.004 . 3 . 2247 . . 245 PHE HD1 . 18853 1 2852 . 1 1 245 245 PHE HD2 H 1 7.229 0.004 . 3 . 2247 . . 245 PHE HD2 . 18853 1 2853 . 1 1 245 245 PHE HE1 H 1 7.320 0.007 . 3 . 2613 . . 245 PHE HE1 . 18853 1 2854 . 1 1 245 245 PHE HE2 H 1 7.320 0.007 . 3 . 2613 . . 245 PHE HE2 . 18853 1 2855 . 1 1 245 245 PHE HZ H 1 7.282 0.004 . 1 . 2765 . . 245 PHE HZ . 18853 1 2856 . 1 1 245 245 PHE C C 13 174.838 0.003 . 1 . 518 . . 245 PHE C . 18853 1 2857 . 1 1 245 245 PHE CA C 13 58.941 0.083 . 1 . 1047 . . 245 PHE CA . 18853 1 2858 . 1 1 245 245 PHE CB C 13 40.722 0.058 . 1 . 1120 . . 245 PHE CB . 18853 1 2859 . 1 1 245 245 PHE CD1 C 13 132.666 0.136 . 3 . 2612 . . 245 PHE CD1 . 18853 1 2860 . 1 1 245 245 PHE CD2 C 13 132.666 0.136 . 3 . 2612 . . 245 PHE CD2 . 18853 1 2861 . 1 1 245 245 PHE CE1 C 13 132.493 0.142 . 3 . 2614 . . 245 PHE CE1 . 18853 1 2862 . 1 1 245 245 PHE CE2 C 13 132.493 0.142 . 3 . 2614 . . 245 PHE CE2 . 18853 1 2863 . 1 1 245 245 PHE CZ C 13 130.800 0.09 . 1 . 2766 . . 245 PHE CZ . 18853 1 2864 . 1 1 245 245 PHE N N 15 120.218 0.056 . 1 . 410 . . 245 PHE N . 18853 1 2865 . 1 1 246 246 LYS H H 1 7.860 0.009 . 1 . 121 . . 246 LYS H . 18853 1 2866 . 1 1 246 246 LYS HA H 1 4.532 0.005 . 1 . 2300 . . 246 LYS HA . 18853 1 2867 . 1 1 246 246 LYS HB2 H 1 1.716 0.007 . 2 . 2304 . . 246 LYS HB2 . 18853 1 2868 . 1 1 246 246 LYS HB3 H 1 1.605 0.008 . 2 . 1540 . . 246 LYS HB3 . 18853 1 2869 . 1 1 246 246 LYS HG2 H 1 1.328 0.01 . 2 . 1541 . . 246 LYS HG2 . 18853 1 2870 . 1 1 246 246 LYS HG3 H 1 1.352 0.011 . 2 . 2308 . . 246 LYS HG3 . 18853 1 2871 . 1 1 246 246 LYS HD2 H 1 1.629 0.005 . 2 . 2305 . . 246 LYS HD2 . 18853 1 2872 . 1 1 246 246 LYS HD3 H 1 1.652 0.004 . 2 . 2307 . . 246 LYS HD3 . 18853 1 2873 . 1 1 246 246 LYS HE2 H 1 2.979 0.004 . 2 . 2302 . . 246 LYS HE2 . 18853 1 2874 . 1 1 246 246 LYS HE3 H 1 2.938 0.003 . 2 . 2303 . . 246 LYS HE3 . 18853 1 2875 . 1 1 246 246 LYS CA C 13 54.371 0.148 . 1 . 1124 . . 246 LYS CA . 18853 1 2876 . 1 1 246 246 LYS CB C 13 34.202 0.03 . 1 . 1125 . . 246 LYS CB . 18853 1 2877 . 1 1 246 246 LYS CG C 13 25.723 0.03 . 1 . 2309 . . 246 LYS CG . 18853 1 2878 . 1 1 246 246 LYS CD C 13 30.346 0.074 . 1 . 2306 . . 246 LYS CD . 18853 1 2879 . 1 1 246 246 LYS CE C 13 43.349 0.084 . 1 . 2301 . . 246 LYS CE . 18853 1 2880 . 1 1 246 246 LYS N N 15 125.013 0.058 . 1 . 122 . . 246 LYS N . 18853 1 2881 . 1 1 247 247 PRO HA H 1 4.309 0.004 . 1 . 1534 . . 247 PRO HA . 18853 1 2882 . 1 1 247 247 PRO HB2 H 1 2.282 0.002 . 2 . 2631 . . 247 PRO HB2 . 18853 1 2883 . 1 1 247 247 PRO HB3 H 1 2.278 0.004 . 2 . 1536 . . 247 PRO HB3 . 18853 1 2884 . 1 1 247 247 PRO HG2 H 1 1.988 0.004 . 2 . 2632 . . 247 PRO HG2 . 18853 1 2885 . 1 1 247 247 PRO HG3 H 1 1.940 0.017 . 2 . 1537 . . 247 PRO HG3 . 18853 1 2886 . 1 1 247 247 PRO HD2 H 1 3.573 0.005 . 2 . 2630 . . 247 PRO HD2 . 18853 1 2887 . 1 1 247 247 PRO HD3 H 1 3.571 0.007 . 2 . 1535 . . 247 PRO HD3 . 18853 1 2888 . 1 1 247 247 PRO C C 13 176.409 0.014 . 1 . 703 . . 247 PRO C . 18853 1 2889 . 1 1 247 247 PRO CA C 13 63.933 0.07 . 1 . 1085 . . 247 PRO CA . 18853 1 2890 . 1 1 247 247 PRO CB C 13 33.118 0.064 . 1 . 1630 . . 247 PRO CB . 18853 1 2891 . 1 1 247 247 PRO CG C 13 28.204 0.066 . 1 . 1333 . . 247 PRO CG . 18853 1 2892 . 1 1 247 247 PRO CD C 13 51.620 0.039 . 1 . 1332 . . 247 PRO CD . 18853 1 2893 . 1 1 248 248 ALA H H 1 8.249 0.008 . 1 . 437 . . 248 ALA H . 18853 1 2894 . 1 1 248 248 ALA HA H 1 4.313 0.005 . 1 . 2258 . . 248 ALA HA . 18853 1 2895 . 1 1 248 248 ALA HB1 H 1 1.396 0.008 . 1 . 1533 . . 248 ALA HB1 . 18853 1 2896 . 1 1 248 248 ALA HB2 H 1 1.396 0.008 . 1 . 1533 . . 248 ALA HB2 . 18853 1 2897 . 1 1 248 248 ALA HB3 H 1 1.396 0.008 . 1 . 1533 . . 248 ALA HB3 . 18853 1 2898 . 1 1 248 248 ALA C C 13 177.563 0.011 . 1 . 469 . . 248 ALA C . 18853 1 2899 . 1 1 248 248 ALA CA C 13 53.491 0.085 . 1 . 1136 . . 248 ALA CA . 18853 1 2900 . 1 1 248 248 ALA CB C 13 20.390 0.051 . 1 . 1137 . . 248 ALA CB . 18853 1 2901 . 1 1 248 248 ALA N N 15 124.096 0.047 . 1 . 438 . . 248 ALA N . 18853 1 2902 . 1 1 249 249 SER H H 1 8.124 0.007 . 1 . 25 . . 249 SER H . 18853 1 2903 . 1 1 249 249 SER HA H 1 4.473 0.005 . 1 . 1530 . . 249 SER HA . 18853 1 2904 . 1 1 249 249 SER HB2 H 1 3.843 0.008 . 2 . 1531 . . 249 SER HB2 . 18853 1 2905 . 1 1 249 249 SER HB3 H 1 3.871 0.004 . 2 . 2252 . . 249 SER HB3 . 18853 1 2906 . 1 1 249 249 SER C C 13 173.840 0.017 . 1 . 521 . . 249 SER C . 18853 1 2907 . 1 1 249 249 SER CA C 13 59.279 0.036 . 1 . 1086 . . 249 SER CA . 18853 1 2908 . 1 1 249 249 SER CB C 13 65.058 0.031 . 1 . 1087 . . 249 SER CB . 18853 1 2909 . 1 1 249 249 SER N N 15 114.889 0.037 . 1 . 26 . . 249 SER N . 18853 1 2910 . 1 1 250 250 THR H H 1 7.685 0.004 . 1 . 127 . . 250 THR H . 18853 1 2911 . 1 1 250 250 THR HA H 1 4.164 0.004 . 1 . 1532 . . 250 THR HA . 18853 1 2912 . 1 1 250 250 THR HB H 1 4.222 0.003 . 1 . 2267 . . 250 THR HB . 18853 1 2913 . 1 1 250 250 THR HG21 H 1 1.130 0.003 . 1 . 2268 . . 250 THR HG21 . 18853 1 2914 . 1 1 250 250 THR HG22 H 1 1.130 0.003 . 1 . 2268 . . 250 THR HG22 . 18853 1 2915 . 1 1 250 250 THR HG23 H 1 1.130 0.003 . 1 . 2268 . . 250 THR HG23 . 18853 1 2916 . 1 1 250 250 THR CA C 13 64.075 0.025 . 1 . 795 . . 250 THR CA . 18853 1 2917 . 1 1 250 250 THR CB C 13 71.683 0.09 . 1 . 1088 . . 250 THR CB . 18853 1 2918 . 1 1 250 250 THR CG2 C 13 22.954 0.08 . 1 . 2269 . . 250 THR CG2 . 18853 1 2919 . 1 1 250 250 THR N N 15 120.090 0.061 . 1 . 128 . . 250 THR N . 18853 1 stop_ save_