data_6578 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6578 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Structure determination of Bcl-xl/Bad-BH3 peptide complex' . . 6578 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6578 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bcl-xl/Bad BH3 peptide complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-01 _Entry.Accession_date 2005-04-01 _Entry.Last_release_date 2005-09-01 _Entry.Original_release_date 2005-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Petros . M. . 6578 2 Stephen Fesik . W. . 6578 3 Edward Olejniczak . T. . 6578 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6578 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 632 6578 '15N chemical shifts' 162 6578 '1H chemical shifts' 983 6578 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 . . 2005-09-01 2005-04-01 original author . 6578 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6578 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16132832 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N Resonance Assignments of a Bcl-xL/Bad Peptide Complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _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 260 _Citation.Page_last 260 _Citation.Year 2005 _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 Andrew Petros . M. . 6578 1 2 Stephen Fesik . W. . 6578 1 3 Edward Olejniczak . T. . 6578 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6578 _Assembly.ID 1 _Assembly.Name 'bcl-xl /Bad BH3 peptide (NLWAAQRYGRELRRMSDEFVDSFKK)complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 bcl-xl 1 $bcl-xl . . yes native no no . . . 6578 1 2 Bad-BH3 2 $Bad-BH3 . . yes native no no . . . 6578 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bcl-xl _Entity.Sf_category entity _Entity.Sf_framecode bcl-xl _Entity.Entry_ID 6578 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bcl-xl _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKKMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1G5J . "Complex Of Bcl-Xl With Peptide From Bad" . . . . . 100.00 25 100.00 100.00 2.23e-08 . . . . 6578 1 2 no DBJ BAE72969 . "hypothetical protein [Macaca fascicularis]" . . . . . 96.00 82 100.00 100.00 7.23e-08 . . . . 6578 1 3 no DBJ BAF84552 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 4 no DBJ BAG64171 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 6.04e-09 . . . . 6578 1 5 no DBJ BAG70068 . "BCL2-antagonist of cell death protein [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 6 no DBJ BAG70192 . "BCL2-antagonist of cell death protein [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 7 no EMBL CAG46733 . "BAD [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 8 no EMBL CAG46757 . "BAD [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 9 no GB AAB36516 . "Bcl-2 binding component 6 [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.62e-08 . . . . 6578 1 10 no GB AAB72092 . "Bcl-X/Bcl-2 binding protein [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 11 no GB AAB88124 . "bcl-xL/bcl-2 associated death promoter [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 12 no GB AAH01901 . "BCL2-associated agonist of cell death [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 13 no GB AAH95431 . "BCL2-associated agonist of cell death [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 14 no REF NP_001238857 . "bcl2-associated agonist of cell death [Pan troglodytes]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 15 no REF NP_001252885 . "bcl2 antagonist of cell death [Macaca mulatta]" . . . . . 96.00 167 100.00 100.00 4.93e-08 . . . . 6578 1 16 no REF NP_004313 . "bcl2 antagonist of cell death [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 17 no REF NP_116784 . "bcl2 antagonist of cell death [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 1 18 no REF XP_002755519 . "PREDICTED: bcl2-associated agonist of cell death isoform X2 [Callithrix jacchus]" . . . . . 96.00 167 100.00 100.00 3.36e-08 . . . . 6578 1 19 no SP Q92934 . "RecName: Full=Bcl2-associated agonist of cell death; Short=BAD; AltName: Full=Bcl-2-binding component 6; AltName: Full=Bcl-2-li" . . . . . 100.00 168 100.00 100.00 1.14e-08 . . . . 6578 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 5 MET . 6578 1 2 6 SER . 6578 1 3 7 GLN . 6578 1 4 8 SER . 6578 1 5 9 ASN . 6578 1 6 10 ARG . 6578 1 7 11 GLU . 6578 1 8 12 LEU . 6578 1 9 13 VAL . 6578 1 10 14 VAL . 6578 1 11 15 ASP . 6578 1 12 16 PHE . 6578 1 13 17 LEU . 6578 1 14 18 SER . 6578 1 15 19 TYR . 6578 1 16 20 LYS . 6578 1 17 21 LEU . 6578 1 18 22 SER . 6578 1 19 23 GLN . 6578 1 20 24 LYS . 6578 1 21 25 GLY . 6578 1 22 26 TYR . 6578 1 23 27 SER . 6578 1 24 28 TRP . 6578 1 25 29 SER . 6578 1 26 30 GLN . 6578 1 27 31 PHE . 6578 1 28 32 SER . 6578 1 29 33 ASP . 6578 1 30 34 VAL . 6578 1 31 35 GLU . 6578 1 32 36 GLU . 6578 1 33 37 ASN . 6578 1 34 38 ARG . 6578 1 35 39 THR . 6578 1 36 40 GLU . 6578 1 37 41 ALA . 6578 1 38 42 PRO . 6578 1 39 43 GLU . 6578 1 40 44 GLY . 6578 1 41 45 THR . 6578 1 42 46 GLU . 6578 1 43 47 SER . 6578 1 44 48 GLU . 6578 1 45 89 ALA . 6578 1 46 90 VAL . 6578 1 47 91 LYS . 6578 1 48 92 GLN . 6578 1 49 93 ALA . 6578 1 50 94 LEU . 6578 1 51 95 ARG . 6578 1 52 96 GLU . 6578 1 53 97 ALA . 6578 1 54 98 GLY . 6578 1 55 99 ASP . 6578 1 56 100 GLU . 6578 1 57 101 PHE . 6578 1 58 102 GLU . 6578 1 59 103 LEU . 6578 1 60 104 ARG . 6578 1 61 105 TYR . 6578 1 62 106 ARG . 6578 1 63 107 ARG . 6578 1 64 108 ALA . 6578 1 65 109 PHE . 6578 1 66 110 SER . 6578 1 67 111 ASP . 6578 1 68 112 LEU . 6578 1 69 113 THR . 6578 1 70 114 SER . 6578 1 71 115 GLN . 6578 1 72 116 LEU . 6578 1 73 117 HIS . 6578 1 74 118 ILE . 6578 1 75 119 THR . 6578 1 76 120 PRO . 6578 1 77 121 GLY . 6578 1 78 122 THR . 6578 1 79 123 ALA . 6578 1 80 124 TYR . 6578 1 81 125 GLN . 6578 1 82 126 SER . 6578 1 83 127 PHE . 6578 1 84 128 GLU . 6578 1 85 129 GLN . 6578 1 86 130 VAL . 6578 1 87 131 VAL . 6578 1 88 132 ASN . 6578 1 89 133 GLU . 6578 1 90 134 LEU . 6578 1 91 135 PHE . 6578 1 92 136 ARG . 6578 1 93 137 ASP . 6578 1 94 138 GLY . 6578 1 95 139 VAL . 6578 1 96 140 ASN . 6578 1 97 141 TRP . 6578 1 98 142 GLY . 6578 1 99 143 ARG . 6578 1 100 144 ILE . 6578 1 101 145 VAL . 6578 1 102 146 ALA . 6578 1 103 147 PHE . 6578 1 104 148 PHE . 6578 1 105 149 SER . 6578 1 106 150 PHE . 6578 1 107 151 GLY . 6578 1 108 152 GLY . 6578 1 109 153 ALA . 6578 1 110 154 LEU . 6578 1 111 155 CYS . 6578 1 112 156 VAL . 6578 1 113 157 GLU . 6578 1 114 158 SER . 6578 1 115 159 VAL . 6578 1 116 160 ASP . 6578 1 117 161 LYS . 6578 1 118 162 LYS . 6578 1 119 163 MET . 6578 1 120 164 GLN . 6578 1 121 165 VAL . 6578 1 122 166 LEU . 6578 1 123 167 VAL . 6578 1 124 168 SER . 6578 1 125 169 ARG . 6578 1 126 170 ILE . 6578 1 127 171 ALA . 6578 1 128 172 ALA . 6578 1 129 173 TRP . 6578 1 130 174 MET . 6578 1 131 175 ALA . 6578 1 132 176 THR . 6578 1 133 177 TYR . 6578 1 134 178 LEU . 6578 1 135 179 ASN . 6578 1 136 180 ASP . 6578 1 137 181 HIS . 6578 1 138 182 LEU . 6578 1 139 183 GLU . 6578 1 140 184 PRO . 6578 1 141 185 TRP . 6578 1 142 186 ILE . 6578 1 143 187 GLN . 6578 1 144 188 GLU . 6578 1 145 189 ASN . 6578 1 146 190 GLY . 6578 1 147 191 GLY . 6578 1 148 192 TRP . 6578 1 149 193 ASP . 6578 1 150 194 THR . 6578 1 151 195 PHE . 6578 1 152 196 VAL . 6578 1 153 197 GLU . 6578 1 154 198 LEU . 6578 1 155 199 TYR . 6578 1 156 200 GLY . 6578 1 157 201 ASN . 6578 1 158 202 ASN . 6578 1 159 203 ALA . 6578 1 160 204 ALA . 6578 1 161 205 ALA . 6578 1 162 206 GLU . 6578 1 163 207 SER . 6578 1 164 208 ARG . 6578 1 165 209 LYS . 6578 1 166 210 GLY . 6578 1 167 211 GLN . 6578 1 168 212 GLU . 6578 1 169 213 ARG . 6578 1 170 214 LEU . 6578 1 171 215 GLU . 6578 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 6578 1 . SER 2 2 6578 1 . GLN 3 3 6578 1 . SER 4 4 6578 1 . ASN 5 5 6578 1 . ARG 6 6 6578 1 . GLU 7 7 6578 1 . LEU 8 8 6578 1 . VAL 9 9 6578 1 . VAL 10 10 6578 1 . ASP 11 11 6578 1 . PHE 12 12 6578 1 . LEU 13 13 6578 1 . SER 14 14 6578 1 . TYR 15 15 6578 1 . LYS 16 16 6578 1 . LEU 17 17 6578 1 . SER 18 18 6578 1 . GLN 19 19 6578 1 . LYS 20 20 6578 1 . GLY 21 21 6578 1 . TYR 22 22 6578 1 . SER 23 23 6578 1 . TRP 24 24 6578 1 . SER 25 25 6578 1 . GLN 26 26 6578 1 . PHE 27 27 6578 1 . SER 28 28 6578 1 . ASP 29 29 6578 1 . VAL 30 30 6578 1 . GLU 31 31 6578 1 . GLU 32 32 6578 1 . ASN 33 33 6578 1 . ARG 34 34 6578 1 . THR 35 35 6578 1 . GLU 36 36 6578 1 . ALA 37 37 6578 1 . PRO 38 38 6578 1 . GLU 39 39 6578 1 . GLY 40 40 6578 1 . THR 41 41 6578 1 . GLU 42 42 6578 1 . SER 43 43 6578 1 . GLU 44 44 6578 1 . ALA 45 45 6578 1 . VAL 46 46 6578 1 . LYS 47 47 6578 1 . GLN 48 48 6578 1 . ALA 49 49 6578 1 . LEU 50 50 6578 1 . ARG 51 51 6578 1 . GLU 52 52 6578 1 . ALA 53 53 6578 1 . GLY 54 54 6578 1 . ASP 55 55 6578 1 . GLU 56 56 6578 1 . PHE 57 57 6578 1 . GLU 58 58 6578 1 . LEU 59 59 6578 1 . ARG 60 60 6578 1 . TYR 61 61 6578 1 . ARG 62 62 6578 1 . ARG 63 63 6578 1 . ALA 64 64 6578 1 . PHE 65 65 6578 1 . SER 66 66 6578 1 . ASP 67 67 6578 1 . LEU 68 68 6578 1 . THR 69 69 6578 1 . SER 70 70 6578 1 . GLN 71 71 6578 1 . LEU 72 72 6578 1 . HIS 73 73 6578 1 . ILE 74 74 6578 1 . THR 75 75 6578 1 . PRO 76 76 6578 1 . GLY 77 77 6578 1 . THR 78 78 6578 1 . ALA 79 79 6578 1 . TYR 80 80 6578 1 . GLN 81 81 6578 1 . SER 82 82 6578 1 . PHE 83 83 6578 1 . GLU 84 84 6578 1 . GLN 85 85 6578 1 . VAL 86 86 6578 1 . VAL 87 87 6578 1 . ASN 88 88 6578 1 . GLU 89 89 6578 1 . LEU 90 90 6578 1 . PHE 91 91 6578 1 . ARG 92 92 6578 1 . ASP 93 93 6578 1 . GLY 94 94 6578 1 . VAL 95 95 6578 1 . ASN 96 96 6578 1 . TRP 97 97 6578 1 . GLY 98 98 6578 1 . ARG 99 99 6578 1 . ILE 100 100 6578 1 . VAL 101 101 6578 1 . ALA 102 102 6578 1 . PHE 103 103 6578 1 . PHE 104 104 6578 1 . SER 105 105 6578 1 . PHE 106 106 6578 1 . GLY 107 107 6578 1 . GLY 108 108 6578 1 . ALA 109 109 6578 1 . LEU 110 110 6578 1 . CYS 111 111 6578 1 . VAL 112 112 6578 1 . GLU 113 113 6578 1 . SER 114 114 6578 1 . VAL 115 115 6578 1 . ASP 116 116 6578 1 . LYS 117 117 6578 1 . LYS 118 118 6578 1 . MET 119 119 6578 1 . GLN 120 120 6578 1 . VAL 121 121 6578 1 . LEU 122 122 6578 1 . VAL 123 123 6578 1 . SER 124 124 6578 1 . ARG 125 125 6578 1 . ILE 126 126 6578 1 . ALA 127 127 6578 1 . ALA 128 128 6578 1 . TRP 129 129 6578 1 . MET 130 130 6578 1 . ALA 131 131 6578 1 . THR 132 132 6578 1 . TYR 133 133 6578 1 . LEU 134 134 6578 1 . ASN 135 135 6578 1 . ASP 136 136 6578 1 . HIS 137 137 6578 1 . LEU 138 138 6578 1 . GLU 139 139 6578 1 . PRO 140 140 6578 1 . TRP 141 141 6578 1 . ILE 142 142 6578 1 . GLN 143 143 6578 1 . GLU 144 144 6578 1 . ASN 145 145 6578 1 . GLY 146 146 6578 1 . GLY 147 147 6578 1 . TRP 148 148 6578 1 . ASP 149 149 6578 1 . THR 150 150 6578 1 . PHE 151 151 6578 1 . VAL 152 152 6578 1 . GLU 153 153 6578 1 . LEU 154 154 6578 1 . TYR 155 155 6578 1 . GLY 156 156 6578 1 . ASN 157 157 6578 1 . ASN 158 158 6578 1 . ALA 159 159 6578 1 . ALA 160 160 6578 1 . ALA 161 161 6578 1 . GLU 162 162 6578 1 . SER 163 163 6578 1 . ARG 164 164 6578 1 . LYS 165 165 6578 1 . GLY 166 166 6578 1 . GLN 167 167 6578 1 . GLU 168 168 6578 1 . ARG 169 169 6578 1 . LEU 170 170 6578 1 . GLU 171 171 6578 1 stop_ save_ save_Bad-BH3 _Entity.Sf_category entity _Entity.Sf_framecode Bad-BH3 _Entity.Entry_ID 6578 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Bad-BH3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NLWAAQRYGRELRRMSDEFV DSFKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ASN . 6578 2 2 . LEU . 6578 2 3 . TRP . 6578 2 4 . ALA . 6578 2 5 . ALA . 6578 2 6 . GLN . 6578 2 7 . ARG . 6578 2 8 . TYR . 6578 2 9 . GLY . 6578 2 10 . ARG . 6578 2 11 . GLU . 6578 2 12 . LEU . 6578 2 13 . ARG . 6578 2 14 . ARG . 6578 2 15 . MET . 6578 2 16 . SER . 6578 2 17 . ASP . 6578 2 18 . GLU . 6578 2 19 . PHE . 6578 2 20 . VAL . 6578 2 21 . ASP . 6578 2 22 . SER . 6578 2 23 . PHE . 6578 2 24 . LYS . 6578 2 25 . LYS . 6578 2 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 . ASN 1 1 6578 2 . LEU 2 2 6578 2 . TRP 3 3 6578 2 . ALA 4 4 6578 2 . ALA 5 5 6578 2 . GLN 6 6 6578 2 . ARG 7 7 6578 2 . TYR 8 8 6578 2 . GLY 9 9 6578 2 . ARG 10 10 6578 2 . GLU 11 11 6578 2 . LEU 12 12 6578 2 . ARG 13 13 6578 2 . ARG 14 14 6578 2 . MET 15 15 6578 2 . SER 16 16 6578 2 . ASP 17 17 6578 2 . GLU 18 18 6578 2 . PHE 19 19 6578 2 . VAL 20 20 6578 2 . ASP 21 21 6578 2 . SER 22 22 6578 2 . PHE 23 23 6578 2 . LYS 24 24 6578 2 . LYS 25 25 6578 2 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 6578 _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 $bcl-xl . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6578 1 2 2 $Bad-BH3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6578 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 6578 _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 $bcl-xl . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6578 1 2 2 $Bad-BH3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6578 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6578 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 bcl-xl '[U-13C; U-15N]' 1 $assembly 1 $bcl-xl . . . 0.5 1.0 mM . . . . 6578 1 2 Bad-BH3 . 1 $assembly 2 $Bad-BH3 . . . 0.5 1.0 mM . . . . 6578 1 3 'sodium phosphate' . 1 $assembly . . . . 40 . . mM . . . . 6578 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6578 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; NMR samples contained 0.5-1.0 mM Bcl-xL 15N,13C uniformly labeled protein and the Bad 25-mer in a 1:1 complex in 40 mM sodium phosphate (pH 7.0). All NMR experiments were acquired at 303 K ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.1 pH 6578 1 temperature 303 0.1 K 6578 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6578 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6578 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6578 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 2 HNCOCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 4 HNCOCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 6 'HCCH Tocsy' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 7 '13C seperated Noesy' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6578 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6578 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6578 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6578 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6578 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6578 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6578 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 H H 1 8.3770 0.05 . 1 . . . . 5 MET H . 6578 1 2 . 1 1 1 1 MET HA H 1 4.4700 0.05 . 1 . . . . 5 MET HA . 6578 1 3 . 1 1 1 1 MET HB2 H 1 2.5700 0.05 . 1 . . . . 5 MET HB2 . 6578 1 4 . 1 1 1 1 MET HB3 H 1 2.5700 0.05 . 1 . . . . 5 MET HB3 . 6578 1 5 . 1 1 1 1 MET HG2 H 1 2.1000 0.05 . 1 . . . . 5 MET HG2 . 6578 1 6 . 1 1 1 1 MET HG3 H 1 2.1000 0.05 . 1 . . . . 5 MET HG3 . 6578 1 7 . 1 1 1 1 MET C C 13 176.5920 0.35 . 1 . . . . 5 MET C . 6578 1 8 . 1 1 1 1 MET CA C 13 55.3240 0.35 . 1 . . . . 5 MET CA . 6578 1 9 . 1 1 1 1 MET CB C 13 31.9320 0.35 . 1 . . . . 5 MET CB . 6578 1 10 . 1 1 1 1 MET CG C 13 32.6300 0.35 . 1 . . . . 5 MET CG . 6578 1 11 . 1 1 1 1 MET CE C 13 18.8700 0.35 . 1 . . . . 5 MET CE . 6578 1 12 . 1 1 1 1 MET N N 15 119.4630 0.5 . 1 . . . . 5 MET N . 6578 1 13 . 1 1 2 2 SER H H 1 7.8200 0.05 . 1 . . . . 6 SER H . 6578 1 14 . 1 1 2 2 SER HA H 1 3.9920 0.05 . 1 . . . . 6 SER HA . 6578 1 15 . 1 1 2 2 SER HB2 H 1 3.9500 0.05 . 2 . . . . 6 SER HB2 . 6578 1 16 . 1 1 2 2 SER HB3 H 1 3.7640 0.05 . 2 . . . . 6 SER HB3 . 6578 1 17 . 1 1 2 2 SER C C 13 175.7250 0.35 . 1 . . . . 6 SER C . 6578 1 18 . 1 1 2 2 SER CA C 13 60.3950 0.35 . 1 . . . . 6 SER CA . 6578 1 19 . 1 1 2 2 SER CB C 13 63.7200 0.35 . 1 . . . . 6 SER CB . 6578 1 20 . 1 1 2 2 SER N N 15 115.3700 0.5 . 1 . . . . 6 SER N . 6578 1 21 . 1 1 3 3 GLN H H 1 8.4990 0.05 . 1 . . . . 7 GLN H . 6578 1 22 . 1 1 3 3 GLN HB2 H 1 2.1300 0.05 . 1 . . . . 7 GLN HB2 . 6578 1 23 . 1 1 3 3 GLN HB3 H 1 2.1300 0.05 . 1 . . . . 7 GLN HB3 . 6578 1 24 . 1 1 3 3 GLN C C 13 177.6330 0.35 . 1 . . . . 7 GLN C . 6578 1 25 . 1 1 3 3 GLN CA C 13 56.4260 0.35 . 1 . . . . 7 GLN CA . 6578 1 26 . 1 1 3 3 GLN CB C 13 28.2920 0.35 . 1 . . . . 7 GLN CB . 6578 1 27 . 1 1 3 3 GLN N N 15 122.6740 0.5 . 1 . . . . 7 GLN N . 6578 1 28 . 1 1 4 4 SER H H 1 8.3890 0.05 . 1 . . . . 8 SER H . 6578 1 29 . 1 1 4 4 SER HA H 1 4.3280 0.05 . 1 . . . . 8 SER HA . 6578 1 30 . 1 1 4 4 SER HB2 H 1 3.9800 0.05 . 2 . . . . 8 SER HB2 . 6578 1 31 . 1 1 4 4 SER HB3 H 1 3.8760 0.05 . 2 . . . . 8 SER HB3 . 6578 1 32 . 1 1 4 4 SER CA C 13 59.1160 0.35 . 1 . . . . 8 SER CA . 6578 1 33 . 1 1 4 4 SER CB C 13 63.2080 0.35 . 1 . . . . 8 SER CB . 6578 1 34 . 1 1 4 4 SER N N 15 116.2510 0.5 . 1 . . . . 8 SER N . 6578 1 35 . 1 1 5 5 ASN H H 1 8.5410 0.05 . 1 . . . . 9 ASN H . 6578 1 36 . 1 1 5 5 ASN HA H 1 4.7400 0.05 . 1 . . . . 9 ASN HA . 6578 1 37 . 1 1 5 5 ASN HB2 H 1 3.0700 0.05 . 2 . . . . 9 ASN HB2 . 6578 1 38 . 1 1 5 5 ASN HB3 H 1 2.6700 0.05 . 2 . . . . 9 ASN HB3 . 6578 1 39 . 1 1 5 5 ASN C C 13 177.2180 0.35 . 1 . . . . 9 ASN C . 6578 1 40 . 1 1 5 5 ASN CA C 13 55.5750 0.35 . 1 . . . . 9 ASN CA . 6578 1 41 . 1 1 5 5 ASN CB C 13 37.7340 0.35 . 1 . . . . 9 ASN CB . 6578 1 42 . 1 1 5 5 ASN N N 15 121.2610 0.5 . 1 . . . . 9 ASN N . 6578 1 43 . 1 1 6 6 ARG H H 1 8.0320 0.05 . 1 . . . . 10 ARG H . 6578 1 44 . 1 1 6 6 ARG HA H 1 4.0010 0.05 . 1 . . . . 10 ARG HA . 6578 1 45 . 1 1 6 6 ARG HB2 H 1 1.9800 0.05 . 1 . . . . 10 ARG HB2 . 6578 1 46 . 1 1 6 6 ARG HB3 H 1 1.9800 0.05 . 1 . . . . 10 ARG HB3 . 6578 1 47 . 1 1 6 6 ARG C C 13 177.3200 0.35 . 1 . . . . 10 ARG C . 6578 1 48 . 1 1 6 6 ARG CA C 13 59.0780 0.35 . 1 . . . . 10 ARG CA . 6578 1 49 . 1 1 6 6 ARG CB C 13 28.8840 0.35 . 1 . . . . 10 ARG CB . 6578 1 50 . 1 1 6 6 ARG N N 15 119.7190 0.5 . 1 . . . . 10 ARG N . 6578 1 51 . 1 1 7 7 GLU H H 1 8.0760 0.05 . 1 . . . . 11 GLU H . 6578 1 52 . 1 1 7 7 GLU HA H 1 3.8500 0.05 . 1 . . . . 11 GLU HA . 6578 1 53 . 1 1 7 7 GLU HB2 H 1 2.0300 0.05 . 2 . . . . 11 GLU HB2 . 6578 1 54 . 1 1 7 7 GLU HB3 H 1 2.0700 0.05 . 2 . . . . 11 GLU HB3 . 6578 1 55 . 1 1 7 7 GLU CA C 13 58.7640 0.35 . 1 . . . . 11 GLU CA . 6578 1 56 . 1 1 7 7 GLU CB C 13 28.7840 0.35 . 1 . . . . 11 GLU CB . 6578 1 57 . 1 1 7 7 GLU N N 15 117.6640 0.5 . 1 . . . . 11 GLU N . 6578 1 58 . 1 1 8 8 LEU H H 1 7.8400 0.05 . 1 . . . . 12 LEU H . 6578 1 59 . 1 1 8 8 LEU HA H 1 3.8530 0.05 . 1 . . . . 12 LEU HA . 6578 1 60 . 1 1 8 8 LEU HB2 H 1 1.7740 0.05 . 2 . . . . 12 LEU HB2 . 6578 1 61 . 1 1 8 8 LEU HB3 H 1 1.4100 0.05 . 2 . . . . 12 LEU HB3 . 6578 1 62 . 1 1 8 8 LEU HG H 1 1.4620 0.05 . 1 . . . . 12 LEU HG . 6578 1 63 . 1 1 8 8 LEU HD11 H 1 0.1750 0.05 . 2 . . . . 12 LEU HD1 . 6578 1 64 . 1 1 8 8 LEU HD12 H 1 0.1750 0.05 . 2 . . . . 12 LEU HD1 . 6578 1 65 . 1 1 8 8 LEU HD13 H 1 0.1750 0.05 . 2 . . . . 12 LEU HD1 . 6578 1 66 . 1 1 8 8 LEU HD21 H 1 0.1940 0.05 . 2 . . . . 12 LEU HD2 . 6578 1 67 . 1 1 8 8 LEU HD22 H 1 0.1940 0.05 . 2 . . . . 12 LEU HD2 . 6578 1 68 . 1 1 8 8 LEU HD23 H 1 0.1940 0.05 . 2 . . . . 12 LEU HD2 . 6578 1 69 . 1 1 8 8 LEU C C 13 178.4100 0.35 . 1 . . . . 12 LEU C . 6578 1 70 . 1 1 8 8 LEU CA C 13 58.0930 0.35 . 1 . . . . 12 LEU CA . 6578 1 71 . 1 1 8 8 LEU CB C 13 41.9780 0.35 . 1 . . . . 12 LEU CB . 6578 1 72 . 1 1 8 8 LEU CG C 13 26.1200 0.35 . 1 . . . . 12 LEU CG . 6578 1 73 . 1 1 8 8 LEU CD1 C 13 24.0740 0.35 . 1 . . . . 12 LEU CD1 . 6578 1 74 . 1 1 8 8 LEU CD2 C 13 24.0740 0.35 . 1 . . . . 12 LEU CD2 . 6578 1 75 . 1 1 8 8 LEU N N 15 119.8480 0.5 . 1 . . . . 12 LEU N . 6578 1 76 . 1 1 9 9 VAL H H 1 7.5780 0.05 . 1 . . . . 13 VAL H . 6578 1 77 . 1 1 9 9 VAL HA H 1 3.6590 0.05 . 1 . . . . 13 VAL HA . 6578 1 78 . 1 1 9 9 VAL HB H 1 2.3440 0.05 . 1 . . . . 13 VAL HB . 6578 1 79 . 1 1 9 9 VAL HG11 H 1 1.1740 0.05 . 2 . . . . 13 VAL HG1 . 6578 1 80 . 1 1 9 9 VAL HG12 H 1 1.1740 0.05 . 2 . . . . 13 VAL HG1 . 6578 1 81 . 1 1 9 9 VAL HG13 H 1 1.1740 0.05 . 2 . . . . 13 VAL HG1 . 6578 1 82 . 1 1 9 9 VAL HG21 H 1 1.0660 0.05 . 2 . . . . 13 VAL HG2 . 6578 1 83 . 1 1 9 9 VAL HG22 H 1 1.0660 0.05 . 2 . . . . 13 VAL HG2 . 6578 1 84 . 1 1 9 9 VAL HG23 H 1 1.0660 0.05 . 2 . . . . 13 VAL HG2 . 6578 1 85 . 1 1 9 9 VAL C C 13 177.0650 0.35 . 1 . . . . 13 VAL C . 6578 1 86 . 1 1 9 9 VAL CA C 13 67.5560 0.35 . 1 . . . . 13 VAL CA . 6578 1 87 . 1 1 9 9 VAL CB C 13 32.2590 0.35 . 1 . . . . 13 VAL CB . 6578 1 88 . 1 1 9 9 VAL CG1 C 13 22.5390 0.35 . 1 . . . . 13 VAL CG1 . 6578 1 89 . 1 1 9 9 VAL CG2 C 13 23.8180 0.35 . 1 . . . . 13 VAL CG2 . 6578 1 90 . 1 1 9 9 VAL N N 15 117.1500 0.5 . 1 . . . . 13 VAL N . 6578 1 91 . 1 1 10 10 VAL H H 1 8.3850 0.05 . 1 . . . . 14 VAL H . 6578 1 92 . 1 1 10 10 VAL HA H 1 2.7530 0.05 . 1 . . . . 14 VAL HA . 6578 1 93 . 1 1 10 10 VAL HB H 1 1.6710 0.05 . 1 . . . . 14 VAL HB . 6578 1 94 . 1 1 10 10 VAL HG11 H 1 0.7180 0.05 . 2 . . . . 14 VAL HG1 . 6578 1 95 . 1 1 10 10 VAL HG12 H 1 0.7180 0.05 . 2 . . . . 14 VAL HG1 . 6578 1 96 . 1 1 10 10 VAL HG13 H 1 0.7180 0.05 . 2 . . . . 14 VAL HG1 . 6578 1 97 . 1 1 10 10 VAL HG21 H 1 -0.0800 0.05 . 2 . . . . 14 VAL HG2 . 6578 1 98 . 1 1 10 10 VAL HG22 H 1 -0.0800 0.05 . 2 . . . . 14 VAL HG2 . 6578 1 99 . 1 1 10 10 VAL HG23 H 1 -0.0800 0.05 . 2 . . . . 14 VAL HG2 . 6578 1 100 . 1 1 10 10 VAL C C 13 176.6040 0.35 . 1 . . . . 14 VAL C . 6578 1 101 . 1 1 10 10 VAL CA C 13 66.7890 0.35 . 1 . . . . 14 VAL CA . 6578 1 102 . 1 1 10 10 VAL CB C 13 30.9800 0.35 . 1 . . . . 14 VAL CB . 6578 1 103 . 1 1 10 10 VAL CG1 C 13 22.5390 0.35 . 1 . . . . 14 VAL CG1 . 6578 1 104 . 1 1 10 10 VAL CG2 C 13 19.7260 0.35 . 1 . . . . 14 VAL CG2 . 6578 1 105 . 1 1 10 10 VAL N N 15 117.4070 0.5 . 1 . . . . 14 VAL N . 6578 1 106 . 1 1 11 11 ASP H H 1 8.2680 0.05 . 1 . . . . 15 ASP H . 6578 1 107 . 1 1 11 11 ASP HA H 1 4.0400 0.05 . 1 . . . . 15 ASP HA . 6578 1 108 . 1 1 11 11 ASP HB2 H 1 2.6900 0.05 . 2 . . . . 15 ASP HB2 . 6578 1 109 . 1 1 11 11 ASP HB3 H 1 2.5700 0.05 . 2 . . . . 15 ASP HB3 . 6578 1 110 . 1 1 11 11 ASP C C 13 177.4740 0.35 . 1 . . . . 15 ASP C . 6578 1 111 . 1 1 11 11 ASP CA C 13 58.3010 0.35 . 1 . . . . 15 ASP CA . 6578 1 112 . 1 1 11 11 ASP CB C 13 42.6940 0.35 . 1 . . . . 15 ASP CB . 6578 1 113 . 1 1 11 11 ASP N N 15 121.0040 0.5 . 1 . . . . 15 ASP N . 6578 1 114 . 1 1 12 12 PHE H H 1 8.1650 0.05 . 1 . . . . 16 PHE H . 6578 1 115 . 1 1 12 12 PHE HA H 1 3.9200 0.05 . 1 . . . . 16 PHE HA . 6578 1 116 . 1 1 12 12 PHE HB2 H 1 3.4700 0.05 . 2 . . . . 16 PHE HB2 . 6578 1 117 . 1 1 12 12 PHE HB3 H 1 3.1000 0.05 . 2 . . . . 16 PHE HB3 . 6578 1 118 . 1 1 12 12 PHE HD1 H 1 7.0400 0.05 . 1 . . . . 16 PHE HD1 . 6578 1 119 . 1 1 12 12 PHE HD2 H 1 7.0400 0.05 . 1 . . . . 16 PHE HD2 . 6578 1 120 . 1 1 12 12 PHE C C 13 178.0000 0.35 . 1 . . . . 16 PHE C . 6578 1 121 . 1 1 12 12 PHE CA C 13 62.7030 0.35 . 1 . . . . 16 PHE CA . 6578 1 122 . 1 1 12 12 PHE CB C 13 39.5280 0.35 . 1 . . . . 16 PHE CB . 6578 1 123 . 1 1 12 12 PHE CD1 C 13 131.0500 0.35 . 1 . . . . 16 PHE CD1 . 6578 1 124 . 1 1 12 12 PHE CD2 C 13 131.0500 0.35 . 1 . . . . 16 PHE CD2 . 6578 1 125 . 1 1 12 12 PHE N N 15 120.1050 0.5 . 1 . . . . 16 PHE N . 6578 1 126 . 1 1 13 13 LEU H H 1 8.8630 0.05 . 1 . . . . 17 LEU H . 6578 1 127 . 1 1 13 13 LEU HA H 1 4.0530 0.05 . 1 . . . . 17 LEU HA . 6578 1 128 . 1 1 13 13 LEU HB2 H 1 1.8910 0.05 . 2 . . . . 17 LEU HB2 . 6578 1 129 . 1 1 13 13 LEU HB3 H 1 1.7780 0.05 . 2 . . . . 17 LEU HB3 . 6578 1 130 . 1 1 13 13 LEU HG H 1 1.5400 0.05 . 1 . . . . 17 LEU HG . 6578 1 131 . 1 1 13 13 LEU HD11 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD1 . 6578 1 132 . 1 1 13 13 LEU HD12 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD1 . 6578 1 133 . 1 1 13 13 LEU HD13 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD1 . 6578 1 134 . 1 1 13 13 LEU HD21 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD2 . 6578 1 135 . 1 1 13 13 LEU HD22 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD2 . 6578 1 136 . 1 1 13 13 LEU HD23 H 1 0.8700 0.05 . 2 . . . . 17 LEU HD2 . 6578 1 137 . 1 1 13 13 LEU C C 13 179.5030 0.35 . 1 . . . . 17 LEU C . 6578 1 138 . 1 1 13 13 LEU CA C 13 57.5810 0.35 . 1 . . . . 17 LEU CA . 6578 1 139 . 1 1 13 13 LEU CB C 13 42.2340 0.35 . 1 . . . . 17 LEU CB . 6578 1 140 . 1 1 13 13 LEU CD1 C 13 24.3300 0.35 . 1 . . . . 17 LEU CD1 . 6578 1 141 . 1 1 13 13 LEU N N 15 116.6370 0.5 . 1 . . . . 17 LEU N . 6578 1 142 . 1 1 14 14 SER H H 1 8.5720 0.05 . 1 . . . . 18 SER H . 6578 1 143 . 1 1 14 14 SER HA H 1 4.2620 0.05 . 1 . . . . 18 SER HA . 6578 1 144 . 1 1 14 14 SER HB2 H 1 3.9900 0.05 . 2 . . . . 18 SER HB2 . 6578 1 145 . 1 1 14 14 SER HB3 H 1 3.9200 0.05 . 2 . . . . 18 SER HB3 . 6578 1 146 . 1 1 14 14 SER C C 13 177.1160 0.35 . 1 . . . . 18 SER C . 6578 1 147 . 1 1 14 14 SER CA C 13 55.3900 0.35 . 1 . . . . 18 SER CA . 6578 1 148 . 1 1 14 14 SER N N 15 113.8110 0.5 . 1 . . . . 18 SER N . 6578 1 149 . 1 1 15 15 TYR H H 1 8.2600 0.05 . 1 . . . . 19 TYR H . 6578 1 150 . 1 1 15 15 TYR HA H 1 4.3200 0.05 . 1 . . . . 19 TYR HA . 6578 1 151 . 1 1 15 15 TYR HB2 H 1 3.0300 0.05 . 2 . . . . 19 TYR HB2 . 6578 1 152 . 1 1 15 15 TYR HB3 H 1 2.9800 0.05 . 2 . . . . 19 TYR HB3 . 6578 1 153 . 1 1 15 15 TYR HD1 H 1 6.7000 0.05 . 1 . . . . 19 TYR HD1 . 6578 1 154 . 1 1 15 15 TYR HD2 H 1 6.7000 0.05 . 1 . . . . 19 TYR HD2 . 6578 1 155 . 1 1 15 15 TYR HE1 H 1 6.8400 0.05 . 1 . . . . 19 TYR HE1 . 6578 1 156 . 1 1 15 15 TYR HE2 H 1 6.8400 0.05 . 1 . . . . 19 TYR HE2 . 6578 1 157 . 1 1 15 15 TYR C C 13 178.1540 0.35 . 1 . . . . 19 TYR C . 6578 1 158 . 1 1 15 15 TYR CA C 13 59.5730 0.35 . 1 . . . . 19 TYR CA . 6578 1 159 . 1 1 15 15 TYR CB C 13 37.1840 0.35 . 1 . . . . 19 TYR CB . 6578 1 160 . 1 1 15 15 TYR CD1 C 13 132.6700 0.35 . 1 . . . . 19 TYR CD1 . 6578 1 161 . 1 1 15 15 TYR CD2 C 13 132.6700 0.35 . 1 . . . . 19 TYR CD2 . 6578 1 162 . 1 1 15 15 TYR CE1 C 13 118.3800 0.35 . 1 . . . . 19 TYR CE1 . 6578 1 163 . 1 1 15 15 TYR CE2 C 13 118.3800 0.35 . 1 . . . . 19 TYR CE2 . 6578 1 164 . 1 1 15 15 TYR N N 15 124.5300 0.5 . 1 . . . . 19 TYR N . 6578 1 165 . 1 1 16 16 LYS H H 1 8.1980 0.05 . 1 . . . . 20 LYS H . 6578 1 166 . 1 1 16 16 LYS HA H 1 3.7580 0.05 . 1 . . . . 20 LYS HA . 6578 1 167 . 1 1 16 16 LYS HB2 H 1 1.7500 0.05 . 2 . . . . 20 LYS HB2 . 6578 1 168 . 1 1 16 16 LYS HB3 H 1 1.5400 0.05 . 2 . . . . 20 LYS HB3 . 6578 1 169 . 1 1 16 16 LYS HG2 H 1 1.6400 0.05 . 1 . . . . 20 LYS HG2 . 6578 1 170 . 1 1 16 16 LYS HG3 H 1 1.6400 0.05 . 1 . . . . 20 LYS HG3 . 6578 1 171 . 1 1 16 16 LYS HE2 H 1 3.0500 0.05 . 1 . . . . 20 LYS HE2 . 6578 1 172 . 1 1 16 16 LYS C C 13 180.2740 0.35 . 1 . . . . 20 LYS C . 6578 1 173 . 1 1 16 16 LYS CA C 13 56.6800 0.35 . 1 . . . . 20 LYS CA . 6578 1 174 . 1 1 16 16 LYS CB C 13 29.3720 0.35 . 1 . . . . 20 LYS CB . 6578 1 175 . 1 1 16 16 LYS N N 15 119.7190 0.5 . 1 . . . . 20 LYS N . 6578 1 176 . 1 1 17 17 LEU H H 1 8.6990 0.05 . 1 . . . . 21 LEU H . 6578 1 177 . 1 1 17 17 LEU HA H 1 4.0100 0.05 . 1 . . . . 21 LEU HA . 6578 1 178 . 1 1 17 17 LEU HB2 H 1 2.1000 0.05 . 2 . . . . 21 LEU HB2 . 6578 1 179 . 1 1 17 17 LEU HB3 H 1 1.4600 0.05 . 2 . . . . 21 LEU HB3 . 6578 1 180 . 1 1 17 17 LEU HG H 1 1.8200 0.05 . 1 . . . . 21 LEU HG . 6578 1 181 . 1 1 17 17 LEU HD11 H 1 0.9700 0.05 . 2 . . . . 21 LEU HD1 . 6578 1 182 . 1 1 17 17 LEU HD12 H 1 0.9700 0.05 . 2 . . . . 21 LEU HD1 . 6578 1 183 . 1 1 17 17 LEU HD13 H 1 0.9700 0.05 . 2 . . . . 21 LEU HD1 . 6578 1 184 . 1 1 17 17 LEU HD21 H 1 0.7600 0.05 . 2 . . . . 21 LEU HD2 . 6578 1 185 . 1 1 17 17 LEU HD22 H 1 0.7600 0.05 . 2 . . . . 21 LEU HD2 . 6578 1 186 . 1 1 17 17 LEU HD23 H 1 0.7600 0.05 . 2 . . . . 21 LEU HD2 . 6578 1 187 . 1 1 17 17 LEU C C 13 179.7600 0.35 . 1 . . . . 21 LEU C . 6578 1 188 . 1 1 17 17 LEU CA C 13 58.1700 0.35 . 1 . . . . 21 LEU CA . 6578 1 189 . 1 1 17 17 LEU CB C 13 40.4200 0.35 . 1 . . . . 21 LEU CB . 6578 1 190 . 1 1 17 17 LEU CG C 13 27.7200 0.35 . 1 . . . . 21 LEU CG . 6578 1 191 . 1 1 17 17 LEU CD1 C 13 26.1500 0.35 . 1 . . . . 21 LEU CD1 . 6578 1 192 . 1 1 17 17 LEU CD2 C 13 24.2700 0.35 . 1 . . . . 21 LEU CD2 . 6578 1 193 . 1 1 17 17 LEU N N 15 118.5630 0.5 . 1 . . . . 21 LEU N . 6578 1 194 . 1 1 18 18 SER H H 1 8.3900 0.05 . 1 . . . . 22 SER H . 6578 1 195 . 1 1 18 18 SER HA H 1 4.6550 0.05 . 1 . . . . 22 SER HA . 6578 1 196 . 1 1 18 18 SER HB2 H 1 4.1650 0.05 . 2 . . . . 22 SER HB2 . 6578 1 197 . 1 1 18 18 SER HB3 H 1 4.0500 0.05 . 2 . . . . 22 SER HB3 . 6578 1 198 . 1 1 18 18 SER C C 13 178.3550 0.35 . 1 . . . . 22 SER C . 6578 1 199 . 1 1 18 18 SER CA C 13 61.4180 0.35 . 1 . . . . 22 SER CA . 6578 1 200 . 1 1 18 18 SER CB C 13 62.6970 0.35 . 1 . . . . 22 SER CB . 6578 1 201 . 1 1 18 18 SER N N 15 117.0220 0.5 . 1 . . . . 22 SER N . 6578 1 202 . 1 1 19 19 GLN H H 1 7.6580 0.05 . 1 . . . . 23 GLN H . 6578 1 203 . 1 1 19 19 GLN HA H 1 4.0130 0.05 . 1 . . . . 23 GLN HA . 6578 1 204 . 1 1 19 19 GLN HB2 H 1 2.0800 0.05 . 2 . . . . 23 GLN HB2 . 6578 1 205 . 1 1 19 19 GLN HB3 H 1 2.0100 0.05 . 2 . . . . 23 GLN HB3 . 6578 1 206 . 1 1 19 19 GLN C C 13 177.1150 0.35 . 1 . . . . 23 GLN C . 6578 1 207 . 1 1 19 19 GLN CA C 13 57.8520 0.35 . 1 . . . . 23 GLN CA . 6578 1 208 . 1 1 19 19 GLN CB C 13 28.1690 0.35 . 1 . . . . 23 GLN CB . 6578 1 209 . 1 1 19 19 GLN N N 15 122.5450 0.5 . 1 . . . . 23 GLN N . 6578 1 210 . 1 1 20 20 LYS H H 1 7.2320 0.05 . 1 . . . . 24 LYS H . 6578 1 211 . 1 1 20 20 LYS HA H 1 4.3800 0.05 . 1 . . . . 24 LYS HA . 6578 1 212 . 1 1 20 20 LYS HB2 H 1 2.0070 0.05 . 2 . . . . 24 LYS HB2 . 6578 1 213 . 1 1 20 20 LYS HB3 H 1 1.6500 0.05 . 2 . . . . 24 LYS HB3 . 6578 1 214 . 1 1 20 20 LYS HG2 H 1 1.5300 0.05 . 2 . . . . 24 LYS HG2 . 6578 1 215 . 1 1 20 20 LYS HG3 H 1 1.4500 0.05 . 2 . . . . 24 LYS HG3 . 6578 1 216 . 1 1 20 20 LYS HD2 H 1 1.6200 0.05 . 1 . . . . 24 LYS HD2 . 6578 1 217 . 1 1 20 20 LYS HD3 H 1 1.6200 0.05 . 1 . . . . 24 LYS HD3 . 6578 1 218 . 1 1 20 20 LYS HE2 H 1 2.9600 0.05 . 1 . . . . 24 LYS HE2 . 6578 1 219 . 1 1 20 20 LYS C C 13 175.4580 0.35 . 1 . . . . 24 LYS C . 6578 1 220 . 1 1 20 20 LYS CA C 13 53.5530 0.35 . 1 . . . . 24 LYS CA . 6578 1 221 . 1 1 20 20 LYS CB C 13 32.1930 0.35 . 1 . . . . 24 LYS CB . 6578 1 222 . 1 1 20 20 LYS CG C 13 25.0810 0.35 . 1 . . . . 24 LYS CG . 6578 1 223 . 1 1 20 20 LYS CD C 13 28.3100 0.35 . 1 . . . . 24 LYS CD . 6578 1 224 . 1 1 20 20 LYS CE C 13 42.0600 0.35 . 1 . . . . 24 LYS CE . 6578 1 225 . 1 1 20 20 LYS N N 15 116.2510 0.5 . 1 . . . . 24 LYS N . 6578 1 226 . 1 1 21 21 GLY H H 1 7.5400 0.05 . 1 . . . . 25 GLY H . 6578 1 227 . 1 1 21 21 GLY HA2 H 1 3.9730 0.05 . 2 . . . . 25 GLY HA2 . 6578 1 228 . 1 1 21 21 GLY HA3 H 1 3.6650 0.05 . 2 . . . . 25 GLY HA3 . 6578 1 229 . 1 1 21 21 GLY C C 13 173.9540 0.35 . 1 . . . . 25 GLY C . 6578 1 230 . 1 1 21 21 GLY CA C 13 44.7680 0.35 . 1 . . . . 25 GLY CA . 6578 1 231 . 1 1 21 21 GLY N N 15 105.0760 0.5 . 1 . . . . 25 GLY N . 6578 1 232 . 1 1 22 22 TYR H H 1 7.8400 0.05 . 1 . . . . 26 TYR H . 6578 1 233 . 1 1 22 22 TYR HA H 1 5.1040 0.05 . 1 . . . . 26 TYR HA . 6578 1 234 . 1 1 22 22 TYR HB2 H 1 3.2520 0.05 . 2 . . . . 26 TYR HB2 . 6578 1 235 . 1 1 22 22 TYR HB3 H 1 2.7840 0.05 . 2 . . . . 26 TYR HB3 . 6578 1 236 . 1 1 22 22 TYR HD1 H 1 7.0400 0.05 . 1 . . . . 26 TYR HD1 . 6578 1 237 . 1 1 22 22 TYR HD2 H 1 7.0400 0.05 . 1 . . . . 26 TYR HD2 . 6578 1 238 . 1 1 22 22 TYR HE1 H 1 6.8100 0.05 . 1 . . . . 26 TYR HE1 . 6578 1 239 . 1 1 22 22 TYR HE2 H 1 6.8100 0.05 . 1 . . . . 26 TYR HE2 . 6578 1 240 . 1 1 22 22 TYR C C 13 174.9470 0.35 . 1 . . . . 26 TYR C . 6578 1 241 . 1 1 22 22 TYR CA C 13 55.0230 0.35 . 1 . . . . 26 TYR CA . 6578 1 242 . 1 1 22 22 TYR CB C 13 40.9550 0.35 . 1 . . . . 26 TYR CB . 6578 1 243 . 1 1 22 22 TYR CD1 C 13 131.8600 0.35 . 1 . . . . 26 TYR CD1 . 6578 1 244 . 1 1 22 22 TYR CD2 C 13 131.8600 0.35 . 1 . . . . 26 TYR CD2 . 6578 1 245 . 1 1 22 22 TYR CE1 C 13 118.1100 0.35 . 1 . . . . 26 TYR CE1 . 6578 1 246 . 1 1 22 22 TYR CE2 C 13 118.1100 0.35 . 1 . . . . 26 TYR CE2 . 6578 1 247 . 1 1 22 22 TYR N N 15 119.4630 0.5 . 1 . . . . 26 TYR N . 6578 1 248 . 1 1 23 23 SER H H 1 8.6320 0.05 . 1 . . . . 27 SER H . 6578 1 249 . 1 1 23 23 SER HA H 1 4.9450 0.05 . 1 . . . . 27 SER HA . 6578 1 250 . 1 1 23 23 SER HB2 H 1 3.8270 0.05 . 2 . . . . 27 SER HB2 . 6578 1 251 . 1 1 23 23 SER HB3 H 1 3.7850 0.05 . 2 . . . . 27 SER HB3 . 6578 1 252 . 1 1 23 23 SER C C 13 174.5800 0.35 . 1 . . . . 27 SER C . 6578 1 253 . 1 1 23 23 SER CA C 13 56.3020 0.35 . 1 . . . . 27 SER CA . 6578 1 254 . 1 1 23 23 SER CB C 13 64.7430 0.35 . 1 . . . . 27 SER CB . 6578 1 255 . 1 1 23 23 SER N N 15 114.3240 0.5 . 1 . . . . 27 SER N . 6578 1 256 . 1 1 24 24 TRP H H 1 9.0480 0.05 . 1 . . . . 28 TRP H . 6578 1 257 . 1 1 24 24 TRP HA H 1 4.2840 0.05 . 1 . . . . 28 TRP HA . 6578 1 258 . 1 1 24 24 TRP HB2 H 1 3.4500 0.05 . 2 . . . . 28 TRP HB2 . 6578 1 259 . 1 1 24 24 TRP HB3 H 1 3.1600 0.05 . 2 . . . . 28 TRP HB3 . 6578 1 260 . 1 1 24 24 TRP HD1 H 1 6.9700 0.05 . 1 . . . . 28 TRP HD1 . 6578 1 261 . 1 1 24 24 TRP HE3 H 1 7.1800 0.05 . 1 . . . . 28 TRP HE3 . 6578 1 262 . 1 1 24 24 TRP HZ2 H 1 7.2500 0.05 . 1 . . . . 28 TRP HZ2 . 6578 1 263 . 1 1 24 24 TRP HZ3 H 1 6.6400 0.05 . 1 . . . . 28 TRP HZ3 . 6578 1 264 . 1 1 24 24 TRP HH2 H 1 6.7700 0.05 . 1 . . . . 28 TRP HH2 . 6578 1 265 . 1 1 24 24 TRP C C 13 176.9600 0.35 . 1 . . . . 28 TRP C . 6578 1 266 . 1 1 24 24 TRP CA C 13 59.9050 0.35 . 1 . . . . 28 TRP CA . 6578 1 267 . 1 1 24 24 TRP CB C 13 30.4350 0.35 . 1 . . . . 28 TRP CB . 6578 1 268 . 1 1 24 24 TRP CD1 C 13 126.7400 0.35 . 1 . . . . 28 TRP CD1 . 6578 1 269 . 1 1 24 24 TRP CE3 C 13 119.2000 0.35 . 1 . . . . 28 TRP CE3 . 6578 1 270 . 1 1 24 24 TRP CZ2 C 13 114.3000 0.35 . 1 . . . . 28 TRP CZ2 . 6578 1 271 . 1 1 24 24 TRP CZ3 C 13 121.1000 0.35 . 1 . . . . 28 TRP CZ3 . 6578 1 272 . 1 1 24 24 TRP CH2 C 13 123.0000 0.35 . 1 . . . . 28 TRP CH2 . 6578 1 273 . 1 1 24 24 TRP N N 15 127.4270 0.5 . 1 . . . . 28 TRP N . 6578 1 274 . 1 1 25 25 SER H H 1 8.2850 0.05 . 1 . . . . 29 SER H . 6578 1 275 . 1 1 25 25 SER HA H 1 3.9510 0.05 . 1 . . . . 29 SER HA . 6578 1 276 . 1 1 25 25 SER HB2 H 1 4.0000 0.05 . 2 . . . . 29 SER HB2 . 6578 1 277 . 1 1 25 25 SER HB3 H 1 3.8700 0.05 . 2 . . . . 29 SER HB3 . 6578 1 278 . 1 1 25 25 SER C C 13 175.2550 0.35 . 1 . . . . 29 SER C . 6578 1 279 . 1 1 25 25 SER CA C 13 59.8170 0.35 . 1 . . . . 29 SER CA . 6578 1 280 . 1 1 25 25 SER CB C 13 62.5880 0.35 . 1 . . . . 29 SER CB . 6578 1 281 . 1 1 25 25 SER N N 15 110.7280 0.5 . 1 . . . . 29 SER N . 6578 1 282 . 1 1 26 26 GLN H H 1 7.4180 0.05 . 1 . . . . 30 GLN H . 6578 1 283 . 1 1 26 26 GLN HA H 1 3.8330 0.05 . 1 . . . . 30 GLN HA . 6578 1 284 . 1 1 26 26 GLN HB2 H 1 1.3600 0.05 . 2 . . . . 30 GLN HB2 . 6578 1 285 . 1 1 26 26 GLN HB3 H 1 1.1520 0.05 . 2 . . . . 30 GLN HB3 . 6578 1 286 . 1 1 26 26 GLN HG2 H 1 1.8760 0.05 . 2 . . . . 30 GLN HG2 . 6578 1 287 . 1 1 26 26 GLN HG3 H 1 1.8010 0.05 . 2 . . . . 30 GLN HG3 . 6578 1 288 . 1 1 26 26 GLN C C 13 176.2330 0.35 . 1 . . . . 30 GLN C . 6578 1 289 . 1 1 26 26 GLN CA C 13 56.6700 0.35 . 1 . . . . 30 GLN CA . 6578 1 290 . 1 1 26 26 GLN CB C 13 27.8190 0.35 . 1 . . . . 30 GLN CB . 6578 1 291 . 1 1 26 26 GLN CG C 13 34.0050 0.35 . 1 . . . . 30 GLN CG . 6578 1 292 . 1 1 26 26 GLN N N 15 118.8200 0.5 . 1 . . . . 30 GLN N . 6578 1 293 . 1 1 27 27 PHE H H 1 7.1680 0.05 . 1 . . . . 31 PHE H . 6578 1 294 . 1 1 27 27 PHE HA H 1 4.5300 0.05 . 1 . . . . 31 PHE HA . 6578 1 295 . 1 1 27 27 PHE HB2 H 1 3.0400 0.05 . 2 . . . . 31 PHE HB2 . 6578 1 296 . 1 1 27 27 PHE HB3 H 1 2.0200 0.05 . 2 . . . . 31 PHE HB3 . 6578 1 297 . 1 1 27 27 PHE HD1 H 1 6.9700 0.05 . 1 . . . . 31 PHE HD1 . 6578 1 298 . 1 1 27 27 PHE HD2 H 1 6.9700 0.05 . 1 . . . . 31 PHE HD2 . 6578 1 299 . 1 1 27 27 PHE HE1 H 1 7.0400 0.05 . 1 . . . . 31 PHE HE1 . 6578 1 300 . 1 1 27 27 PHE HE2 H 1 7.0400 0.05 . 1 . . . . 31 PHE HE2 . 6578 1 301 . 1 1 27 27 PHE C C 13 174.6770 0.35 . 1 . . . . 31 PHE C . 6578 1 302 . 1 1 27 27 PHE CA C 13 56.1330 0.35 . 1 . . . . 31 PHE CA . 6578 1 303 . 1 1 27 27 PHE CB C 13 39.8470 0.35 . 1 . . . . 31 PHE CB . 6578 1 304 . 1 1 27 27 PHE CD1 C 13 131.8600 0.35 . 1 . . . . 31 PHE CD1 . 6578 1 305 . 1 1 27 27 PHE CD2 C 13 131.8600 0.35 . 1 . . . . 31 PHE CD2 . 6578 1 306 . 1 1 27 27 PHE CE1 C 13 131.8600 0.35 . 1 . . . . 31 PHE CE1 . 6578 1 307 . 1 1 27 27 PHE CE2 C 13 131.8600 0.35 . 1 . . . . 31 PHE CE2 . 6578 1 308 . 1 1 27 27 PHE N N 15 115.2240 0.5 . 1 . . . . 31 PHE N . 6578 1 309 . 1 1 28 28 SER H H 1 7.0680 0.05 . 1 . . . . 32 SER H . 6578 1 310 . 1 1 28 28 SER HA H 1 4.0170 0.05 . 1 . . . . 32 SER HA . 6578 1 311 . 1 1 28 28 SER HB2 H 1 2.9780 0.05 . 2 . . . . 32 SER HB2 . 6578 1 312 . 1 1 28 28 SER HB3 H 1 2.8590 0.05 . 2 . . . . 32 SER HB3 . 6578 1 313 . 1 1 28 28 SER C C 13 173.5900 0.35 . 1 . . . . 32 SER C . 6578 1 314 . 1 1 28 28 SER CA C 13 57.0690 0.35 . 1 . . . . 32 SER CA . 6578 1 315 . 1 1 28 28 SER CB C 13 63.7200 0.35 . 1 . . . . 32 SER CB . 6578 1 316 . 1 1 28 28 SER N N 15 113.1680 0.5 . 1 . . . . 32 SER N . 6578 1 317 . 1 1 29 29 ASP H H 1 8.2950 0.05 . 1 . . . . 33 ASP H . 6578 1 318 . 1 1 29 29 ASP HA H 1 4.5780 0.05 . 1 . . . . 33 ASP HA . 6578 1 319 . 1 1 29 29 ASP HB2 H 1 2.6550 0.05 . 2 . . . . 33 ASP HB2 . 6578 1 320 . 1 1 29 29 ASP HB3 H 1 2.6290 0.05 . 2 . . . . 33 ASP HB3 . 6578 1 321 . 1 1 29 29 ASP C C 13 176.2180 0.35 . 1 . . . . 33 ASP C . 6578 1 322 . 1 1 29 29 ASP CA C 13 53.6490 0.35 . 1 . . . . 33 ASP CA . 6578 1 323 . 1 1 29 29 ASP CB C 13 40.6460 0.35 . 1 . . . . 33 ASP CB . 6578 1 324 . 1 1 29 29 ASP N N 15 122.4170 0.5 . 1 . . . . 33 ASP N . 6578 1 325 . 1 1 30 30 VAL H H 1 7.9220 0.05 . 1 . . . . 34 VAL H . 6578 1 326 . 1 1 30 30 VAL HA H 1 4.0570 0.05 . 1 . . . . 34 VAL HA . 6578 1 327 . 1 1 30 30 VAL HB H 1 2.0390 0.05 . 1 . . . . 34 VAL HB . 6578 1 328 . 1 1 30 30 VAL HG11 H 1 0.8650 0.05 . 2 . . . . 34 VAL HG1 . 6578 1 329 . 1 1 30 30 VAL HG12 H 1 0.8650 0.05 . 2 . . . . 34 VAL HG1 . 6578 1 330 . 1 1 30 30 VAL HG13 H 1 0.8650 0.05 . 2 . . . . 34 VAL HG1 . 6578 1 331 . 1 1 30 30 VAL HG21 H 1 0.8660 0.05 . 2 . . . . 34 VAL HG2 . 6578 1 332 . 1 1 30 30 VAL HG22 H 1 0.8660 0.05 . 2 . . . . 34 VAL HG2 . 6578 1 333 . 1 1 30 30 VAL HG23 H 1 0.8660 0.05 . 2 . . . . 34 VAL HG2 . 6578 1 334 . 1 1 30 30 VAL C C 13 176.0940 0.35 . 1 . . . . 34 VAL C . 6578 1 335 . 1 1 30 30 VAL CA C 13 62.1850 0.35 . 1 . . . . 34 VAL CA . 6578 1 336 . 1 1 30 30 VAL CB C 13 33.0260 0.35 . 1 . . . . 34 VAL CB . 6578 1 337 . 1 1 30 30 VAL CG1 C 13 21.0040 0.35 . 1 . . . . 34 VAL CG1 . 6578 1 338 . 1 1 30 30 VAL CG2 C 13 21.0040 0.35 . 1 . . . . 34 VAL CG2 . 6578 1 339 . 1 1 30 30 VAL N N 15 118.9490 0.5 . 1 . . . . 34 VAL N . 6578 1 340 . 1 1 31 31 GLU H H 1 8.4910 0.05 . 1 . . . . 35 GLU H . 6578 1 341 . 1 1 31 31 GLU HA H 1 4.2450 0.05 . 1 . . . . 35 GLU HA . 6578 1 342 . 1 1 31 31 GLU HB2 H 1 2.0130 0.05 . 2 . . . . 35 GLU HB2 . 6578 1 343 . 1 1 31 31 GLU HB3 H 1 1.9280 0.05 . 2 . . . . 35 GLU HB3 . 6578 1 344 . 1 1 31 31 GLU HG2 H 1 2.2900 0.05 . 2 . . . . 35 GLU HG2 . 6578 1 345 . 1 1 31 31 GLU HG3 H 1 2.2300 0.05 . 2 . . . . 35 GLU HG3 . 6578 1 346 . 1 1 31 31 GLU C C 13 176.4020 0.35 . 1 . . . . 35 GLU C . 6578 1 347 . 1 1 31 31 GLU CA C 13 55.9740 0.35 . 1 . . . . 35 GLU CA . 6578 1 348 . 1 1 31 31 GLU CB C 13 29.5860 0.35 . 1 . . . . 35 GLU CB . 6578 1 349 . 1 1 31 31 GLU CG C 13 36.0950 0.35 . 1 . . . . 35 GLU CG . 6578 1 350 . 1 1 31 31 GLU N N 15 124.4720 0.5 . 1 . . . . 35 GLU N . 6578 1 351 . 1 1 32 32 GLU H H 1 8.4000 0.05 . 1 . . . . 36 GLU H . 6578 1 352 . 1 1 32 32 GLU HA H 1 4.2230 0.05 . 1 . . . . 36 GLU HA . 6578 1 353 . 1 1 32 32 GLU HB2 H 1 2.0390 0.05 . 2 . . . . 36 GLU HB2 . 6578 1 354 . 1 1 32 32 GLU HB3 H 1 1.9210 0.05 . 2 . . . . 36 GLU HB3 . 6578 1 355 . 1 1 32 32 GLU HG2 H 1 2.2000 0.05 . 2 . . . . 36 GLU HG2 . 6578 1 356 . 1 1 32 32 GLU HG3 H 1 2.1600 0.05 . 2 . . . . 36 GLU HG3 . 6578 1 357 . 1 1 32 32 GLU C C 13 176.0780 0.35 . 1 . . . . 36 GLU C . 6578 1 358 . 1 1 32 32 GLU CA C 13 56.0810 0.35 . 1 . . . . 36 GLU CA . 6578 1 359 . 1 1 32 32 GLU CB C 13 29.7620 0.35 . 1 . . . . 36 GLU CB . 6578 1 360 . 1 1 32 32 GLU CG C 13 35.5400 0.35 . 1 . . . . 36 GLU CG . 6578 1 361 . 1 1 32 32 GLU N N 15 122.0300 0.5 . 1 . . . . 36 GLU N . 6578 1 362 . 1 1 33 33 ASN H H 1 8.4780 0.05 . 1 . . . . 37 ASN H . 6578 1 363 . 1 1 33 33 ASN HA H 1 4.6570 0.05 . 1 . . . . 37 ASN HA . 6578 1 364 . 1 1 33 33 ASN HB2 H 1 2.7830 0.05 . 2 . . . . 37 ASN HB2 . 6578 1 365 . 1 1 33 33 ASN HB3 H 1 2.6840 0.05 . 2 . . . . 37 ASN HB3 . 6578 1 366 . 1 1 33 33 ASN C C 13 174.8990 0.35 . 1 . . . . 37 ASN C . 6578 1 367 . 1 1 33 33 ASN CA C 13 52.8240 0.35 . 1 . . . . 37 ASN CA . 6578 1 368 . 1 1 33 33 ASN CB C 13 38.4650 0.35 . 1 . . . . 37 ASN CB . 6578 1 369 . 1 1 33 33 ASN N N 15 119.3340 0.5 . 1 . . . . 37 ASN N . 6578 1 370 . 1 1 34 34 ARG H H 1 8.1870 0.05 . 1 . . . . 38 ARG H . 6578 1 371 . 1 1 34 34 ARG HA H 1 4.4200 0.05 . 1 . . . . 38 ARG HA . 6578 1 372 . 1 1 34 34 ARG HB2 H 1 1.8940 0.05 . 2 . . . . 38 ARG HB2 . 6578 1 373 . 1 1 34 34 ARG HB3 H 1 1.7520 0.05 . 2 . . . . 38 ARG HB3 . 6578 1 374 . 1 1 34 34 ARG C C 13 176.3840 0.35 . 1 . . . . 38 ARG C . 6578 1 375 . 1 1 34 34 ARG CA C 13 55.5660 0.35 . 1 . . . . 38 ARG CA . 6578 1 376 . 1 1 34 34 ARG CB C 13 30.1900 0.35 . 1 . . . . 38 ARG CB . 6578 1 377 . 1 1 34 34 ARG N N 15 121.3890 0.5 . 1 . . . . 38 ARG N . 6578 1 378 . 1 1 35 35 THR H H 1 8.2570 0.05 . 1 . . . . 39 THR H . 6578 1 379 . 1 1 35 35 THR HA H 1 4.3530 0.05 . 1 . . . . 39 THR HA . 6578 1 380 . 1 1 35 35 THR HB H 1 4.2480 0.05 . 1 . . . . 39 THR HB . 6578 1 381 . 1 1 35 35 THR HG21 H 1 1.1560 0.05 . 1 . . . . 39 THR HG2 . 6578 1 382 . 1 1 35 35 THR HG22 H 1 1.1560 0.05 . 1 . . . . 39 THR HG2 . 6578 1 383 . 1 1 35 35 THR HG23 H 1 1.1560 0.05 . 1 . . . . 39 THR HG2 . 6578 1 384 . 1 1 35 35 THR C C 13 174.3270 0.35 . 1 . . . . 39 THR C . 6578 1 385 . 1 1 35 35 THR CA C 13 61.9290 0.35 . 1 . . . . 39 THR CA . 6578 1 386 . 1 1 35 35 THR CB C 13 69.6030 0.35 . 1 . . . . 39 THR CB . 6578 1 387 . 1 1 35 35 THR CG2 C 13 21.5160 0.35 . 1 . . . . 39 THR CG2 . 6578 1 388 . 1 1 35 35 THR N N 15 115.7370 0.5 . 1 . . . . 39 THR N . 6578 1 389 . 1 1 36 36 GLU H H 1 8.3610 0.05 . 1 . . . . 40 GLU H . 6578 1 390 . 1 1 36 36 GLU HA H 1 4.3270 0.05 . 1 . . . . 40 GLU HA . 6578 1 391 . 1 1 36 36 GLU HB2 H 1 2.0520 0.05 . 2 . . . . 40 GLU HB2 . 6578 1 392 . 1 1 36 36 GLU HB3 H 1 1.8960 0.05 . 2 . . . . 40 GLU HB3 . 6578 1 393 . 1 1 36 36 GLU HG2 H 1 2.2900 0.05 . 1 . . . . 40 GLU HG2 . 6578 1 394 . 1 1 36 36 GLU HG3 H 1 2.2900 0.05 . 1 . . . . 40 GLU HG3 . 6578 1 395 . 1 1 36 36 GLU C C 13 175.5610 0.35 . 1 . . . . 40 GLU C . 6578 1 396 . 1 1 36 36 GLU CA C 13 55.7810 0.35 . 1 . . . . 40 GLU CA . 6578 1 397 . 1 1 36 36 GLU CB C 13 29.7300 0.35 . 1 . . . . 40 GLU CB . 6578 1 398 . 1 1 36 36 GLU CG C 13 35.8600 0.35 . 1 . . . . 40 GLU CG . 6578 1 399 . 1 1 36 36 GLU N N 15 122.8020 0.5 . 1 . . . . 40 GLU N . 6578 1 400 . 1 1 37 37 ALA H H 1 8.2680 0.05 . 1 . . . . 41 ALA H . 6578 1 401 . 1 1 37 37 ALA HA H 1 4.5790 0.05 . 1 . . . . 41 ALA HA . 6578 1 402 . 1 1 37 37 ALA HB1 H 1 1.3060 0.05 . 1 . . . . 41 ALA HB . 6578 1 403 . 1 1 37 37 ALA HB2 H 1 1.3060 0.05 . 1 . . . . 41 ALA HB . 6578 1 404 . 1 1 37 37 ALA HB3 H 1 1.3060 0.05 . 1 . . . . 41 ALA HB . 6578 1 405 . 1 1 37 37 ALA CA C 13 50.1630 0.35 . 1 . . . . 41 ALA CA . 6578 1 406 . 1 1 37 37 ALA CB C 13 18.1910 0.35 . 1 . . . . 41 ALA CB . 6578 1 407 . 1 1 37 37 ALA N N 15 125.8850 0.5 . 1 . . . . 41 ALA N . 6578 1 408 . 1 1 38 38 PRO HA H 1 4.4200 0.05 . 1 . . . . 42 PRO HA . 6578 1 409 . 1 1 38 38 PRO HB2 H 1 2.2410 0.05 . 2 . . . . 42 PRO HB2 . 6578 1 410 . 1 1 38 38 PRO HB3 H 1 1.9000 0.05 . 2 . . . . 42 PRO HB3 . 6578 1 411 . 1 1 38 38 PRO HG2 H 1 1.9930 0.05 . 1 . . . . 42 PRO HG2 . 6578 1 412 . 1 1 38 38 PRO HG3 H 1 1.9930 0.05 . 1 . . . . 42 PRO HG3 . 6578 1 413 . 1 1 38 38 PRO HD2 H 1 3.6300 0.05 . 2 . . . . 42 PRO HD2 . 6578 1 414 . 1 1 38 38 PRO HD3 H 1 3.7300 0.05 . 2 . . . . 42 PRO HD3 . 6578 1 415 . 1 1 38 38 PRO CA C 13 62.6100 0.35 . 1 . . . . 42 PRO CA . 6578 1 416 . 1 1 38 38 PRO CB C 13 31.5100 0.35 . 1 . . . . 42 PRO CB . 6578 1 417 . 1 1 38 38 PRO CG C 13 27.2400 0.35 . 1 . . . . 42 PRO CG . 6578 1 418 . 1 1 38 38 PRO CD C 13 50.4300 0.35 . 1 . . . . 42 PRO CD . 6578 1 419 . 1 1 39 39 GLU H H 1 8.5720 0.05 . 1 . . . . 43 GLU H . 6578 1 420 . 1 1 39 39 GLU HA H 1 4.2880 0.05 . 1 . . . . 43 GLU HA . 6578 1 421 . 1 1 39 39 GLU HB2 H 1 1.9900 0.05 . 1 . . . . 43 GLU HB2 . 6578 1 422 . 1 1 39 39 GLU HB3 H 1 1.9900 0.05 . 1 . . . . 43 GLU HB3 . 6578 1 423 . 1 1 39 39 GLU HG2 H 1 2.3000 0.05 . 1 . . . . 43 GLU HG2 . 6578 1 424 . 1 1 39 39 GLU HG3 H 1 2.3000 0.05 . 1 . . . . 43 GLU HG3 . 6578 1 425 . 1 1 39 39 GLU C C 13 177.0530 0.35 . 1 . . . . 43 GLU C . 6578 1 426 . 1 1 39 39 GLU CA C 13 56.3140 0.35 . 1 . . . . 43 GLU CA . 6578 1 427 . 1 1 39 39 GLU CB C 13 29.7000 0.35 . 1 . . . . 43 GLU CB . 6578 1 428 . 1 1 39 39 GLU N N 15 120.7470 0.5 . 1 . . . . 43 GLU N . 6578 1 429 . 1 1 40 40 GLY H H 1 8.4860 0.05 . 1 . . . . 44 GLY H . 6578 1 430 . 1 1 40 40 GLY HA2 H 1 4.0720 0.05 . 2 . . . . 44 GLY HA2 . 6578 1 431 . 1 1 40 40 GLY HA3 H 1 4.0480 0.05 . 2 . . . . 44 GLY HA3 . 6578 1 432 . 1 1 40 40 GLY C C 13 174.5340 0.35 . 1 . . . . 44 GLY C . 6578 1 433 . 1 1 40 40 GLY CA C 13 44.9910 0.35 . 1 . . . . 44 GLY CA . 6578 1 434 . 1 1 40 40 GLY N N 15 109.8290 0.5 . 1 . . . . 44 GLY N . 6578 1 435 . 1 1 41 41 THR H H 1 8.1630 0.05 . 1 . . . . 45 THR H . 6578 1 436 . 1 1 41 41 THR HA H 1 4.3930 0.05 . 1 . . . . 45 THR HA . 6578 1 437 . 1 1 41 41 THR HB H 1 4.3650 0.05 . 1 . . . . 45 THR HB . 6578 1 438 . 1 1 41 41 THR C C 13 175.5010 0.35 . 1 . . . . 45 THR C . 6578 1 439 . 1 1 41 41 THR CA C 13 61.7710 0.35 . 1 . . . . 45 THR CA . 6578 1 440 . 1 1 41 41 THR CB C 13 69.6560 0.35 . 1 . . . . 45 THR CB . 6578 1 441 . 1 1 41 41 THR N N 15 112.7830 0.5 . 1 . . . . 45 THR N . 6578 1 442 . 1 1 42 42 GLU H H 1 8.8390 0.05 . 1 . . . . 46 GLU H . 6578 1 443 . 1 1 42 42 GLU HA H 1 4.3420 0.05 . 1 . . . . 46 GLU HA . 6578 1 444 . 1 1 42 42 GLU HB2 H 1 2.0840 0.05 . 2 . . . . 46 GLU HB2 . 6578 1 445 . 1 1 42 42 GLU HB3 H 1 1.9180 0.05 . 2 . . . . 46 GLU HB3 . 6578 1 446 . 1 1 42 42 GLU HG2 H 1 2.2600 0.05 . 1 . . . . 46 GLU HG2 . 6578 1 447 . 1 1 42 42 GLU HG3 H 1 2.2600 0.05 . 1 . . . . 46 GLU HG3 . 6578 1 448 . 1 1 42 42 GLU C C 13 177.1670 0.35 . 1 . . . . 46 GLU C . 6578 1 449 . 1 1 42 42 GLU CA C 13 57.0810 0.35 . 1 . . . . 46 GLU CA . 6578 1 450 . 1 1 42 42 GLU CB C 13 28.9460 0.35 . 1 . . . . 46 GLU CB . 6578 1 451 . 1 1 42 42 GLU CG C 13 35.8680 0.35 . 1 . . . . 46 GLU CG . 6578 1 452 . 1 1 42 42 GLU N N 15 122.8020 0.5 . 1 . . . . 46 GLU N . 6578 1 453 . 1 1 43 43 SER H H 1 8.4560 0.05 . 1 . . . . 47 SER H . 6578 1 454 . 1 1 43 43 SER HA H 1 4.3720 0.05 . 1 . . . . 47 SER HA . 6578 1 455 . 1 1 43 43 SER HB2 H 1 3.8490 0.05 . 2 . . . . 47 SER HB2 . 6578 1 456 . 1 1 43 43 SER C C 13 175.6740 0.35 . 1 . . . . 47 SER C . 6578 1 457 . 1 1 43 43 SER CA C 13 58.4570 0.35 . 1 . . . . 47 SER CA . 6578 1 458 . 1 1 43 43 SER CB C 13 63.4610 0.35 . 1 . . . . 47 SER CB . 6578 1 459 . 1 1 43 43 SER N N 15 114.9670 0.5 . 1 . . . . 47 SER N . 6578 1 460 . 1 1 44 44 GLU H H 1 8.2420 0.05 . 1 . . . . 48 GLU H . 6578 1 461 . 1 1 44 44 GLU HB2 H 1 2.0400 0.05 . 1 . . . . 48 GLU HB2 . 6578 1 462 . 1 1 44 44 GLU HB3 H 1 2.0400 0.05 . 1 . . . . 48 GLU HB3 . 6578 1 463 . 1 1 44 44 GLU HG2 H 1 2.3100 0.05 . 1 . . . . 48 GLU HG2 . 6578 1 464 . 1 1 44 44 GLU HG3 H 1 2.3100 0.05 . 1 . . . . 48 GLU HG3 . 6578 1 465 . 1 1 44 44 GLU C C 13 177.8990 0.35 . 1 . . . . 48 GLU C . 6578 1 466 . 1 1 44 44 GLU CA C 13 55.7530 0.35 . 1 . . . . 48 GLU CA . 6578 1 467 . 1 1 44 44 GLU CB C 13 28.8930 0.35 . 1 . . . . 48 GLU CB . 6578 1 468 . 1 1 44 44 GLU N N 15 122.5450 0.5 . 1 . . . . 48 GLU N . 6578 1 469 . 1 1 45 45 ALA H H 1 8.1600 0.05 . 1 . . . . 89 ALA H . 6578 1 470 . 1 1 45 45 ALA HA H 1 4.0880 0.05 . 1 . . . . 89 ALA HA . 6578 1 471 . 1 1 45 45 ALA HB1 H 1 1.4530 0.05 . 1 . . . . 89 ALA HB . 6578 1 472 . 1 1 45 45 ALA HB2 H 1 1.4530 0.05 . 1 . . . . 89 ALA HB . 6578 1 473 . 1 1 45 45 ALA HB3 H 1 1.4530 0.05 . 1 . . . . 89 ALA HB . 6578 1 474 . 1 1 45 45 ALA C C 13 180.5740 0.35 . 1 . . . . 89 ALA C . 6578 1 475 . 1 1 45 45 ALA CA C 13 54.7670 0.35 . 1 . . . . 89 ALA CA . 6578 1 476 . 1 1 45 45 ALA CB C 13 18.1910 0.35 . 1 . . . . 89 ALA CB . 6578 1 477 . 1 1 45 45 ALA N N 15 120.4900 0.5 . 1 . . . . 89 ALA N . 6578 1 478 . 1 1 46 46 VAL H H 1 7.4770 0.05 . 1 . . . . 90 VAL H . 6578 1 479 . 1 1 46 46 VAL HA H 1 3.4460 0.05 . 1 . . . . 90 VAL HA . 6578 1 480 . 1 1 46 46 VAL HB H 1 1.9130 0.05 . 1 . . . . 90 VAL HB . 6578 1 481 . 1 1 46 46 VAL HG11 H 1 0.9830 0.05 . 2 . . . . 90 VAL HG1 . 6578 1 482 . 1 1 46 46 VAL HG12 H 1 0.9830 0.05 . 2 . . . . 90 VAL HG1 . 6578 1 483 . 1 1 46 46 VAL HG13 H 1 0.9830 0.05 . 2 . . . . 90 VAL HG1 . 6578 1 484 . 1 1 46 46 VAL HG21 H 1 0.4160 0.05 . 2 . . . . 90 VAL HG2 . 6578 1 485 . 1 1 46 46 VAL HG22 H 1 0.4160 0.05 . 2 . . . . 90 VAL HG2 . 6578 1 486 . 1 1 46 46 VAL HG23 H 1 0.4160 0.05 . 2 . . . . 90 VAL HG2 . 6578 1 487 . 1 1 46 46 VAL C C 13 176.6530 0.35 . 1 . . . . 90 VAL C . 6578 1 488 . 1 1 46 46 VAL CA C 13 66.0220 0.35 . 1 . . . . 90 VAL CA . 6578 1 489 . 1 1 46 46 VAL CB C 13 31.4910 0.35 . 1 . . . . 90 VAL CB . 6578 1 490 . 1 1 46 46 VAL CG1 C 13 22.7950 0.35 . 1 . . . . 90 VAL CG1 . 6578 1 491 . 1 1 46 46 VAL CG2 C 13 21.5160 0.35 . 1 . . . . 90 VAL CG2 . 6578 1 492 . 1 1 46 46 VAL N N 15 118.5630 0.5 . 1 . . . . 90 VAL N . 6578 1 493 . 1 1 47 47 LYS H H 1 7.4150 0.05 . 1 . . . . 91 LYS H . 6578 1 494 . 1 1 47 47 LYS HA H 1 3.6500 0.05 . 1 . . . . 91 LYS HA . 6578 1 495 . 1 1 47 47 LYS HB2 H 1 1.9200 0.05 . 2 . . . . 91 LYS HB2 . 6578 1 496 . 1 1 47 47 LYS HB3 H 1 1.5700 0.05 . 2 . . . . 91 LYS HB3 . 6578 1 497 . 1 1 47 47 LYS HG2 H 1 1.3200 0.05 . 2 . . . . 91 LYS HG2 . 6578 1 498 . 1 1 47 47 LYS HG3 H 1 1.1400 0.05 . 2 . . . . 91 LYS HG3 . 6578 1 499 . 1 1 47 47 LYS HD2 H 1 1.5300 0.05 . 2 . . . . 91 LYS HD2 . 6578 1 500 . 1 1 47 47 LYS HD3 H 1 1.3600 0.05 . 2 . . . . 91 LYS HD3 . 6578 1 501 . 1 1 47 47 LYS HE2 H 1 2.4900 0.05 . 1 . . . . 91 LYS HE2 . 6578 1 502 . 1 1 47 47 LYS C C 13 178.8810 0.35 . 1 . . . . 91 LYS C . 6578 1 503 . 1 1 47 47 LYS CA C 13 59.2090 0.35 . 1 . . . . 91 LYS CA . 6578 1 504 . 1 1 47 47 LYS CB C 13 31.7130 0.35 . 1 . . . . 91 LYS CB . 6578 1 505 . 1 1 47 47 LYS CD C 13 30.2000 0.35 . 1 . . . . 91 LYS CD . 6578 1 506 . 1 1 47 47 LYS CE C 13 41.8000 0.35 . 1 . . . . 91 LYS CE . 6578 1 507 . 1 1 47 47 LYS N N 15 117.4070 0.5 . 1 . . . . 91 LYS N . 6578 1 508 . 1 1 48 48 GLN H H 1 8.1020 0.05 . 1 . . . . 92 GLN H . 6578 1 509 . 1 1 48 48 GLN HA H 1 3.7080 0.05 . 1 . . . . 92 GLN HA . 6578 1 510 . 1 1 48 48 GLN HB2 H 1 2.0500 0.05 . 2 . . . . 92 GLN HB2 . 6578 1 511 . 1 1 48 48 GLN HB3 H 1 1.9400 0.05 . 2 . . . . 92 GLN HB3 . 6578 1 512 . 1 1 48 48 GLN HG2 H 1 2.3200 0.05 . 2 . . . . 92 GLN HG2 . 6578 1 513 . 1 1 48 48 GLN C C 13 177.4230 0.35 . 1 . . . . 92 GLN C . 6578 1 514 . 1 1 48 48 GLN CA C 13 58.2870 0.35 . 1 . . . . 92 GLN CA . 6578 1 515 . 1 1 48 48 GLN CB C 13 27.7030 0.35 . 1 . . . . 92 GLN CB . 6578 1 516 . 1 1 48 48 GLN CG C 13 32.9000 0.35 . 1 . . . . 92 GLN CG . 6578 1 517 . 1 1 48 48 GLN N N 15 115.8660 0.5 . 1 . . . . 92 GLN N . 6578 1 518 . 1 1 49 49 ALA H H 1 7.7880 0.05 . 1 . . . . 93 ALA H . 6578 1 519 . 1 1 49 49 ALA HA H 1 4.3070 0.05 . 1 . . . . 93 ALA HA . 6578 1 520 . 1 1 49 49 ALA HB1 H 1 1.4270 0.05 . 1 . . . . 93 ALA HB . 6578 1 521 . 1 1 49 49 ALA HB2 H 1 1.4270 0.05 . 1 . . . . 93 ALA HB . 6578 1 522 . 1 1 49 49 ALA HB3 H 1 1.4270 0.05 . 1 . . . . 93 ALA HB . 6578 1 523 . 1 1 49 49 ALA C C 13 179.4380 0.35 . 1 . . . . 93 ALA C . 6578 1 524 . 1 1 49 49 ALA CA C 13 54.4840 0.35 . 1 . . . . 93 ALA CA . 6578 1 525 . 1 1 49 49 ALA CB C 13 18.9580 0.35 . 1 . . . . 93 ALA CB . 6578 1 526 . 1 1 49 49 ALA N N 15 120.1050 0.5 . 1 . . . . 93 ALA N . 6578 1 527 . 1 1 50 50 LEU H H 1 8.4170 0.05 . 1 . . . . 94 LEU H . 6578 1 528 . 1 1 50 50 LEU HA H 1 4.1360 0.05 . 1 . . . . 94 LEU HA . 6578 1 529 . 1 1 50 50 LEU HB2 H 1 1.4600 0.05 . 2 . . . . 94 LEU HB2 . 6578 1 530 . 1 1 50 50 LEU HB3 H 1 1.3650 0.05 . 2 . . . . 94 LEU HB3 . 6578 1 531 . 1 1 50 50 LEU HG H 1 1.2020 0.05 . 1 . . . . 94 LEU HG . 6578 1 532 . 1 1 50 50 LEU HD11 H 1 0.1380 0.05 . 2 . . . . 94 LEU HD1 . 6578 1 533 . 1 1 50 50 LEU HD12 H 1 0.1380 0.05 . 2 . . . . 94 LEU HD1 . 6578 1 534 . 1 1 50 50 LEU HD13 H 1 0.1380 0.05 . 2 . . . . 94 LEU HD1 . 6578 1 535 . 1 1 50 50 LEU HD21 H 1 -0.3710 0.05 . 2 . . . . 94 LEU HD2 . 6578 1 536 . 1 1 50 50 LEU HD22 H 1 -0.3710 0.05 . 2 . . . . 94 LEU HD2 . 6578 1 537 . 1 1 50 50 LEU HD23 H 1 -0.3710 0.05 . 2 . . . . 94 LEU HD2 . 6578 1 538 . 1 1 50 50 LEU C C 13 179.2440 0.35 . 1 . . . . 94 LEU C . 6578 1 539 . 1 1 50 50 LEU CA C 13 58.3480 0.35 . 1 . . . . 94 LEU CA . 6578 1 540 . 1 1 50 50 LEU CB C 13 41.9780 0.35 . 1 . . . . 94 LEU CB . 6578 1 541 . 1 1 50 50 LEU CG C 13 26.6320 0.35 . 1 . . . . 94 LEU CG . 6578 1 542 . 1 1 50 50 LEU CD1 C 13 23.0510 0.35 . 1 . . . . 94 LEU CD1 . 6578 1 543 . 1 1 50 50 LEU CD2 C 13 23.0510 0.35 . 1 . . . . 94 LEU CD2 . 6578 1 544 . 1 1 50 50 LEU N N 15 119.4630 0.5 . 1 . . . . 94 LEU N . 6578 1 545 . 1 1 51 51 ARG H H 1 8.0800 0.05 . 1 . . . . 95 ARG H . 6578 1 546 . 1 1 51 51 ARG HB2 H 1 1.9700 0.05 . 1 . . . . 95 ARG HB2 . 6578 1 547 . 1 1 51 51 ARG HB3 H 1 1.9700 0.05 . 1 . . . . 95 ARG HB3 . 6578 1 548 . 1 1 51 51 ARG HG2 H 1 1.6600 0.05 . 2 . . . . 95 ARG HG2 . 6578 1 549 . 1 1 51 51 ARG HG3 H 1 1.5300 0.05 . 2 . . . . 95 ARG HG3 . 6578 1 550 . 1 1 51 51 ARG C C 13 178.3630 0.35 . 1 . . . . 95 ARG C . 6578 1 551 . 1 1 51 51 ARG CA C 13 60.0000 0.35 . 1 . . . . 95 ARG CA . 6578 1 552 . 1 1 51 51 ARG CB C 13 30.0640 0.35 . 1 . . . . 95 ARG CB . 6578 1 553 . 1 1 51 51 ARG N N 15 117.9210 0.5 . 1 . . . . 95 ARG N . 6578 1 554 . 1 1 52 52 GLU H H 1 8.0260 0.05 . 1 . . . . 96 GLU H . 6578 1 555 . 1 1 52 52 GLU HA H 1 4.1710 0.05 . 1 . . . . 96 GLU HA . 6578 1 556 . 1 1 52 52 GLU HB2 H 1 2.3200 0.05 . 2 . . . . 96 GLU HB2 . 6578 1 557 . 1 1 52 52 GLU HB3 H 1 2.2200 0.05 . 2 . . . . 96 GLU HB3 . 6578 1 558 . 1 1 52 52 GLU HG2 H 1 2.6300 0.05 . 2 . . . . 96 GLU HG2 . 6578 1 559 . 1 1 52 52 GLU C C 13 180.3730 0.35 . 1 . . . . 96 GLU C . 6578 1 560 . 1 1 52 52 GLU CA C 13 58.7640 0.35 . 1 . . . . 96 GLU CA . 6578 1 561 . 1 1 52 52 GLU CB C 13 29.0310 0.35 . 1 . . . . 96 GLU CB . 6578 1 562 . 1 1 52 52 GLU N N 15 115.8660 0.5 . 1 . . . . 96 GLU N . 6578 1 563 . 1 1 53 53 ALA H H 1 8.9220 0.05 . 1 . . . . 97 ALA H . 6578 1 564 . 1 1 53 53 ALA HA H 1 4.3700 0.05 . 1 . . . . 97 ALA HA . 6578 1 565 . 1 1 53 53 ALA HB1 H 1 1.5610 0.05 . 1 . . . . 97 ALA HB . 6578 1 566 . 1 1 53 53 ALA HB2 H 1 1.5610 0.05 . 1 . . . . 97 ALA HB . 6578 1 567 . 1 1 53 53 ALA HB3 H 1 1.5610 0.05 . 1 . . . . 97 ALA HB . 6578 1 568 . 1 1 53 53 ALA C C 13 179.6490 0.35 . 1 . . . . 97 ALA C . 6578 1 569 . 1 1 53 53 ALA CA C 13 55.2790 0.35 . 1 . . . . 97 ALA CA . 6578 1 570 . 1 1 53 53 ALA CB C 13 18.9580 0.35 . 1 . . . . 97 ALA CB . 6578 1 571 . 1 1 53 53 ALA N N 15 123.7010 0.5 . 1 . . . . 97 ALA N . 6578 1 572 . 1 1 54 54 GLY H H 1 9.0620 0.05 . 1 . . . . 98 GLY H . 6578 1 573 . 1 1 54 54 GLY HA2 H 1 3.8850 0.05 . 2 . . . . 98 GLY HA2 . 6578 1 574 . 1 1 54 54 GLY HA3 H 1 3.8800 0.05 . 2 . . . . 98 GLY HA3 . 6578 1 575 . 1 1 54 54 GLY C C 13 175.8670 0.35 . 1 . . . . 98 GLY C . 6578 1 576 . 1 1 54 54 GLY CA C 13 46.3600 0.35 . 1 . . . . 98 GLY CA . 6578 1 577 . 1 1 54 54 GLY N N 15 105.9750 0.5 . 1 . . . . 98 GLY N . 6578 1 578 . 1 1 55 55 ASP H H 1 8.4660 0.05 . 1 . . . . 99 ASP H . 6578 1 579 . 1 1 55 55 ASP HA H 1 4.2690 0.05 . 1 . . . . 99 ASP HA . 6578 1 580 . 1 1 55 55 ASP HB2 H 1 2.1430 0.05 . 2 . . . . 99 ASP HB2 . 6578 1 581 . 1 1 55 55 ASP C C 13 176.7560 0.35 . 1 . . . . 99 ASP C . 6578 1 582 . 1 1 55 55 ASP CA C 13 57.1890 0.35 . 1 . . . . 99 ASP CA . 6578 1 583 . 1 1 55 55 ASP CB C 13 38.5850 0.35 . 1 . . . . 99 ASP CB . 6578 1 584 . 1 1 55 55 ASP N N 15 121.7750 0.5 . 1 . . . . 99 ASP N . 6578 1 585 . 1 1 56 56 GLU H H 1 8.0820 0.05 . 1 . . . . 100 GLU H . 6578 1 586 . 1 1 56 56 GLU HA H 1 4.2500 0.05 . 1 . . . . 100 GLU HA . 6578 1 587 . 1 1 56 56 GLU HB2 H 1 2.3600 0.05 . 1 . . . . 100 GLU HB2 . 6578 1 588 . 1 1 56 56 GLU HB3 H 1 2.3600 0.05 . 1 . . . . 100 GLU HB3 . 6578 1 589 . 1 1 56 56 GLU HG2 H 1 2.6200 0.05 . 2 . . . . 100 GLU HG2 . 6578 1 590 . 1 1 56 56 GLU HG3 H 1 2.4300 0.05 . 2 . . . . 100 GLU HG3 . 6578 1 591 . 1 1 56 56 GLU C C 13 177.8460 0.35 . 1 . . . . 100 GLU C . 6578 1 592 . 1 1 56 56 GLU CA C 13 58.3800 0.35 . 1 . . . . 100 GLU CA . 6578 1 593 . 1 1 56 56 GLU CB C 13 28.6650 0.35 . 1 . . . . 100 GLU CB . 6578 1 594 . 1 1 56 56 GLU CG C 13 35.0580 0.35 . 1 . . . . 100 GLU CG . 6578 1 595 . 1 1 56 56 GLU N N 15 120.8760 0.5 . 1 . . . . 100 GLU N . 6578 1 596 . 1 1 57 57 PHE H H 1 9.0100 0.05 . 1 . . . . 101 PHE H . 6578 1 597 . 1 1 57 57 PHE HA H 1 3.5300 0.05 . 1 . . . . 101 PHE HA . 6578 1 598 . 1 1 57 57 PHE HB2 H 1 3.1900 0.05 . 2 . . . . 101 PHE HB2 . 6578 1 599 . 1 1 57 57 PHE HB3 H 1 2.5700 0.05 . 2 . . . . 101 PHE HB3 . 6578 1 600 . 1 1 57 57 PHE HD1 H 1 6.3800 0.05 . 1 . . . . 101 PHE HD1 . 6578 1 601 . 1 1 57 57 PHE HD2 H 1 6.3800 0.05 . 1 . . . . 101 PHE HD2 . 6578 1 602 . 1 1 57 57 PHE HE1 H 1 7.0000 0.05 . 1 . . . . 101 PHE HE1 . 6578 1 603 . 1 1 57 57 PHE HE2 H 1 7.0000 0.05 . 1 . . . . 101 PHE HE2 . 6578 1 604 . 1 1 57 57 PHE C C 13 175.4620 0.35 . 1 . . . . 101 PHE C . 6578 1 605 . 1 1 57 57 PHE CA C 13 62.6000 0.35 . 1 . . . . 101 PHE CA . 6578 1 606 . 1 1 57 57 PHE CB C 13 39.6000 0.35 . 1 . . . . 101 PHE CB . 6578 1 607 . 1 1 57 57 PHE CD1 C 13 131.3200 0.35 . 1 . . . . 101 PHE CD1 . 6578 1 608 . 1 1 57 57 PHE CD2 C 13 131.3200 0.35 . 1 . . . . 101 PHE CD2 . 6578 1 609 . 1 1 57 57 PHE CE1 C 13 130.2400 0.35 . 1 . . . . 101 PHE CE1 . 6578 1 610 . 1 1 57 57 PHE CE2 C 13 130.2400 0.35 . 1 . . . . 101 PHE CE2 . 6578 1 611 . 1 1 57 57 PHE N N 15 122.8020 0.5 . 1 . . . . 101 PHE N . 6578 1 612 . 1 1 58 58 GLU H H 1 8.4700 0.05 . 1 . . . . 102 GLU H . 6578 1 613 . 1 1 58 58 GLU HA H 1 3.7980 0.05 . 1 . . . . 102 GLU HA . 6578 1 614 . 1 1 58 58 GLU HB2 H 1 2.3200 0.05 . 2 . . . . 102 GLU HB2 . 6578 1 615 . 1 1 58 58 GLU HB3 H 1 2.2200 0.05 . 2 . . . . 102 GLU HB3 . 6578 1 616 . 1 1 58 58 GLU HG2 H 1 2.6300 0.05 . 2 . . . . 102 GLU HG2 . 6578 1 617 . 1 1 58 58 GLU C C 13 177.3820 0.35 . 1 . . . . 102 GLU C . 6578 1 618 . 1 1 58 58 GLU CA C 13 58.4200 0.35 . 1 . . . . 102 GLU CA . 6578 1 619 . 1 1 58 58 GLU CB C 13 29.1050 0.35 . 1 . . . . 102 GLU CB . 6578 1 620 . 1 1 58 58 GLU N N 15 116.5300 0.5 . 1 . . . . 102 GLU N . 6578 1 621 . 1 1 59 59 LEU H H 1 7.5890 0.05 . 1 . . . . 103 LEU H . 6578 1 622 . 1 1 59 59 LEU HA H 1 3.9300 0.05 . 1 . . . . 103 LEU HA . 6578 1 623 . 1 1 59 59 LEU HB2 H 1 1.7300 0.05 . 2 . . . . 103 LEU HB2 . 6578 1 624 . 1 1 59 59 LEU HB3 H 1 1.5200 0.05 . 2 . . . . 103 LEU HB3 . 6578 1 625 . 1 1 59 59 LEU HG H 1 2.2200 0.05 . 1 . . . . 103 LEU HG . 6578 1 626 . 1 1 59 59 LEU HD11 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD1 . 6578 1 627 . 1 1 59 59 LEU HD12 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD1 . 6578 1 628 . 1 1 59 59 LEU HD13 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD1 . 6578 1 629 . 1 1 59 59 LEU HD21 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD2 . 6578 1 630 . 1 1 59 59 LEU HD22 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD2 . 6578 1 631 . 1 1 59 59 LEU HD23 H 1 0.9370 0.05 . 2 . . . . 103 LEU HD2 . 6578 1 632 . 1 1 59 59 LEU C C 13 179.8530 0.35 . 1 . . . . 103 LEU C . 6578 1 633 . 1 1 59 59 LEU CA C 13 57.2100 0.35 . 1 . . . . 103 LEU CA . 6578 1 634 . 1 1 59 59 LEU CB C 13 41.6480 0.35 . 1 . . . . 103 LEU CB . 6578 1 635 . 1 1 59 59 LEU CG C 13 26.6900 0.35 . 1 . . . . 103 LEU CG . 6578 1 636 . 1 1 59 59 LEU CD1 C 13 25.0800 0.35 . 1 . . . . 103 LEU CD1 . 6578 1 637 . 1 1 59 59 LEU CD2 C 13 25.0800 0.35 . 1 . . . . 103 LEU CD2 . 6578 1 638 . 1 1 59 59 LEU N N 15 117.6640 0.5 . 1 . . . . 103 LEU N . 6578 1 639 . 1 1 60 60 ARG H H 1 7.9900 0.05 . 1 . . . . 104 ARG H . 6578 1 640 . 1 1 60 60 ARG HA H 1 3.7820 0.05 . 1 . . . . 104 ARG HA . 6578 1 641 . 1 1 60 60 ARG HB2 H 1 1.3500 0.05 . 2 . . . . 104 ARG HB2 . 6578 1 642 . 1 1 60 60 ARG HB3 H 1 0.9000 0.05 . 2 . . . . 104 ARG HB3 . 6578 1 643 . 1 1 60 60 ARG HG2 H 1 1.4300 0.05 . 2 . . . . 104 ARG HG2 . 6578 1 644 . 1 1 60 60 ARG HG3 H 1 1.2100 0.05 . 2 . . . . 104 ARG HG3 . 6578 1 645 . 1 1 60 60 ARG HD2 H 1 2.9000 0.05 . 2 . . . . 104 ARG HD2 . 6578 1 646 . 1 1 60 60 ARG HD3 H 1 2.5000 0.05 . 2 . . . . 104 ARG HD3 . 6578 1 647 . 1 1 60 60 ARG C C 13 177.9390 0.35 . 1 . . . . 104 ARG C . 6578 1 648 . 1 1 60 60 ARG CA C 13 58.2800 0.35 . 1 . . . . 104 ARG CA . 6578 1 649 . 1 1 60 60 ARG CB C 13 30.4530 0.35 . 1 . . . . 104 ARG CB . 6578 1 650 . 1 1 60 60 ARG CG C 13 26.1500 0.35 . 1 . . . . 104 ARG CG . 6578 1 651 . 1 1 60 60 ARG CD C 13 41.0000 0.35 . 1 . . . . 104 ARG CD . 6578 1 652 . 1 1 60 60 ARG N N 15 117.6600 0.5 . 1 . . . . 104 ARG N . 6578 1 653 . 1 1 61 61 TYR H H 1 7.8100 0.05 . 1 . . . . 105 TYR H . 6578 1 654 . 1 1 61 61 TYR HA H 1 4.7700 0.05 . 1 . . . . 105 TYR HA . 6578 1 655 . 1 1 61 61 TYR HB2 H 1 3.3000 0.05 . 2 . . . . 105 TYR HB2 . 6578 1 656 . 1 1 61 61 TYR HB3 H 1 2.2300 0.05 . 2 . . . . 105 TYR HB3 . 6578 1 657 . 1 1 61 61 TYR HD1 H 1 6.3600 0.05 . 1 . . . . 105 TYR HD1 . 6578 1 658 . 1 1 61 61 TYR HD2 H 1 6.3600 0.05 . 1 . . . . 105 TYR HD2 . 6578 1 659 . 1 1 61 61 TYR HE1 H 1 6.4900 0.05 . 1 . . . . 105 TYR HE1 . 6578 1 660 . 1 1 61 61 TYR HE2 H 1 6.4900 0.05 . 1 . . . . 105 TYR HE2 . 6578 1 661 . 1 1 61 61 TYR C C 13 175.9770 0.35 . 1 . . . . 105 TYR C . 6578 1 662 . 1 1 61 61 TYR CA C 13 55.8100 0.35 . 1 . . . . 105 TYR CA . 6578 1 663 . 1 1 61 61 TYR CB C 13 36.3300 0.35 . 1 . . . . 105 TYR CB . 6578 1 664 . 1 1 61 61 TYR N N 15 117.9200 0.5 . 1 . . . . 105 TYR N . 6578 1 665 . 1 1 62 62 ARG H H 1 6.8370 0.05 . 1 . . . . 106 ARG H . 6578 1 666 . 1 1 62 62 ARG HA H 1 4.2760 0.05 . 1 . . . . 106 ARG HA . 6578 1 667 . 1 1 62 62 ARG HB2 H 1 2.1600 0.05 . 2 . . . . 106 ARG HB2 . 6578 1 668 . 1 1 62 62 ARG HB3 H 1 1.8410 0.05 . 2 . . . . 106 ARG HB3 . 6578 1 669 . 1 1 62 62 ARG CA C 13 59.4100 0.35 . 1 . . . . 106 ARG CA . 6578 1 670 . 1 1 62 62 ARG CB C 13 29.8000 0.35 . 1 . . . . 106 ARG CB . 6578 1 671 . 1 1 62 62 ARG N N 15 120.1000 0.5 . 1 . . . . 106 ARG N . 6578 1 672 . 1 1 63 63 ARG H H 1 8.6600 0.05 . 1 . . . . 107 ARG H . 6578 1 673 . 1 1 63 63 ARG HA H 1 4.7640 0.05 . 1 . . . . 107 ARG HA . 6578 1 674 . 1 1 63 63 ARG HB2 H 1 1.8300 0.05 . 2 . . . . 107 ARG HB2 . 6578 1 675 . 1 1 63 63 ARG HB3 H 1 1.6470 0.05 . 2 . . . . 107 ARG HB3 . 6578 1 676 . 1 1 63 63 ARG C C 13 177.8900 0.35 . 1 . . . . 107 ARG C . 6578 1 677 . 1 1 63 63 ARG CA C 13 57.9400 0.35 . 1 . . . . 107 ARG CA . 6578 1 678 . 1 1 63 63 ARG CB C 13 28.4400 0.35 . 1 . . . . 107 ARG CB . 6578 1 679 . 1 1 63 63 ARG N N 15 117.4000 0.5 . 1 . . . . 107 ARG N . 6578 1 680 . 1 1 64 64 ALA H H 1 7.9900 0.05 . 1 . . . . 108 ALA H . 6578 1 681 . 1 1 64 64 ALA HA H 1 4.2600 0.05 . 1 . . . . 108 ALA HA . 6578 1 682 . 1 1 64 64 ALA HB1 H 1 0.8500 0.05 . 1 . . . . 108 ALA HB . 6578 1 683 . 1 1 64 64 ALA HB2 H 1 0.8500 0.05 . 1 . . . . 108 ALA HB . 6578 1 684 . 1 1 64 64 ALA HB3 H 1 0.8500 0.05 . 1 . . . . 108 ALA HB . 6578 1 685 . 1 1 64 64 ALA C C 13 177.7430 0.35 . 1 . . . . 108 ALA C . 6578 1 686 . 1 1 64 64 ALA CA C 13 52.8600 0.35 . 1 . . . . 108 ALA CA . 6578 1 687 . 1 1 64 64 ALA CB C 13 17.2000 0.35 . 1 . . . . 108 ALA CB . 6578 1 688 . 1 1 64 64 ALA N N 15 120.2300 0.5 . 1 . . . . 108 ALA N . 6578 1 689 . 1 1 65 65 PHE H H 1 7.7400 0.05 . 1 . . . . 109 PHE H . 6578 1 690 . 1 1 65 65 PHE HA H 1 4.8610 0.05 . 1 . . . . 109 PHE HA . 6578 1 691 . 1 1 65 65 PHE HB2 H 1 3.6000 0.05 . 2 . . . . 109 PHE HB2 . 6578 1 692 . 1 1 65 65 PHE HB3 H 1 2.8200 0.05 . 2 . . . . 109 PHE HB3 . 6578 1 693 . 1 1 65 65 PHE HD1 H 1 7.3000 0.05 . 1 . . . . 109 PHE HD1 . 6578 1 694 . 1 1 65 65 PHE HD2 H 1 7.3000 0.05 . 1 . . . . 109 PHE HD2 . 6578 1 695 . 1 1 65 65 PHE HE1 H 1 7.1700 0.05 . 1 . . . . 109 PHE HE1 . 6578 1 696 . 1 1 65 65 PHE HE2 H 1 7.1700 0.05 . 1 . . . . 109 PHE HE2 . 6578 1 697 . 1 1 65 65 PHE C C 13 174.6290 0.35 . 1 . . . . 109 PHE C . 6578 1 698 . 1 1 65 65 PHE CA C 13 56.4200 0.35 . 1 . . . . 109 PHE CA . 6578 1 699 . 1 1 65 65 PHE CB C 13 39.6400 0.35 . 1 . . . . 109 PHE CB . 6578 1 700 . 1 1 65 65 PHE CD1 C 13 131.0700 0.35 . 1 . . . . 109 PHE CD1 . 6578 1 701 . 1 1 65 65 PHE CD2 C 13 131.0700 0.35 . 1 . . . . 109 PHE CD2 . 6578 1 702 . 1 1 65 65 PHE N N 15 115.2200 0.5 . 1 . . . . 109 PHE N . 6578 1 703 . 1 1 66 66 SER H H 1 7.1700 0.05 . 1 . . . . 110 SER H . 6578 1 704 . 1 1 66 66 SER HA H 1 4.5700 0.05 . 1 . . . . 110 SER HA . 6578 1 705 . 1 1 66 66 SER HB2 H 1 3.8400 0.05 . 1 . . . . 110 SER HB2 . 6578 1 706 . 1 1 66 66 SER HB3 H 1 3.8400 0.05 . 1 . . . . 110 SER HB3 . 6578 1 707 . 1 1 66 66 SER N N 15 114.5800 0.5 . 1 . . . . 110 SER N . 6578 1 708 . 1 1 68 68 LEU HA H 1 3.7400 0.05 . 1 . . . . 112 LEU HA . 6578 1 709 . 1 1 68 68 LEU HB2 H 1 1.5200 0.05 . 2 . . . . 112 LEU HB2 . 6578 1 710 . 1 1 68 68 LEU HB3 H 1 1.2200 0.05 . 2 . . . . 112 LEU HB3 . 6578 1 711 . 1 1 68 68 LEU HD11 H 1 0.8500 0.05 . 2 . . . . 112 LEU HD1 . 6578 1 712 . 1 1 68 68 LEU HD12 H 1 0.8500 0.05 . 2 . . . . 112 LEU HD1 . 6578 1 713 . 1 1 68 68 LEU HD13 H 1 0.8500 0.05 . 2 . . . . 112 LEU HD1 . 6578 1 714 . 1 1 68 68 LEU HD21 H 1 0.8100 0.05 . 2 . . . . 112 LEU HD2 . 6578 1 715 . 1 1 68 68 LEU HD22 H 1 0.8100 0.05 . 2 . . . . 112 LEU HD2 . 6578 1 716 . 1 1 68 68 LEU HD23 H 1 0.8100 0.05 . 2 . . . . 112 LEU HD2 . 6578 1 717 . 1 1 68 68 LEU C C 13 179.7650 0.35 . 1 . . . . 112 LEU C . 6578 1 718 . 1 1 68 68 LEU CA C 13 57.9800 0.35 . 1 . . . . 112 LEU CA . 6578 1 719 . 1 1 68 68 LEU CB C 13 42.8700 0.35 . 1 . . . . 112 LEU CB . 6578 1 720 . 1 1 68 68 LEU CD1 C 13 25.6200 0.35 . 1 . . . . 112 LEU CD1 . 6578 1 721 . 1 1 68 68 LEU CD2 C 13 24.5400 0.35 . 1 . . . . 112 LEU CD2 . 6578 1 722 . 1 1 69 69 THR H H 1 9.3800 0.05 . 1 . . . . 113 THR H . 6578 1 723 . 1 1 69 69 THR HA H 1 3.6300 0.05 . 1 . . . . 113 THR HA . 6578 1 724 . 1 1 69 69 THR HB H 1 4.0700 0.05 . 1 . . . . 113 THR HB . 6578 1 725 . 1 1 69 69 THR HG21 H 1 1.1000 0.05 . 1 . . . . 113 THR HG2 . 6578 1 726 . 1 1 69 69 THR HG22 H 1 1.1000 0.05 . 1 . . . . 113 THR HG2 . 6578 1 727 . 1 1 69 69 THR HG23 H 1 1.1000 0.05 . 1 . . . . 113 THR HG2 . 6578 1 728 . 1 1 69 69 THR C C 13 177.4740 0.35 . 1 . . . . 113 THR C . 6578 1 729 . 1 1 69 69 THR CA C 13 66.4630 0.35 . 1 . . . . 113 THR CA . 6578 1 730 . 1 1 69 69 THR CB C 13 67.7970 0.35 . 1 . . . . 113 THR CB . 6578 1 731 . 1 1 69 69 THR CG2 C 13 21.8400 0.35 . 1 . . . . 113 THR CG2 . 6578 1 732 . 1 1 69 69 THR N N 15 112.0100 0.5 . 1 . . . . 113 THR N . 6578 1 733 . 1 1 70 70 SER H H 1 7.4480 0.05 . 1 . . . . 114 SER H . 6578 1 734 . 1 1 70 70 SER HA H 1 4.3470 0.05 . 1 . . . . 114 SER HA . 6578 1 735 . 1 1 70 70 SER HB2 H 1 3.9610 0.05 . 2 . . . . 114 SER HB2 . 6578 1 736 . 1 1 70 70 SER HB3 H 1 3.9130 0.05 . 2 . . . . 114 SER HB3 . 6578 1 737 . 1 1 70 70 SER CA C 13 60.1220 0.35 . 1 . . . . 114 SER CA . 6578 1 738 . 1 1 70 70 SER CB C 13 62.3470 0.35 . 1 . . . . 114 SER CB . 6578 1 739 . 1 1 70 70 SER N N 15 115.8660 0.5 . 1 . . . . 114 SER N . 6578 1 740 . 1 1 71 71 GLN H H 1 8.0100 0.05 . 1 . . . . 115 GLN H . 6578 1 741 . 1 1 71 71 GLN HA H 1 3.7900 0.05 . 1 . . . . 115 GLN HA . 6578 1 742 . 1 1 71 71 GLN HB2 H 1 1.9800 0.05 . 1 . . . . 115 GLN HB2 . 6578 1 743 . 1 1 71 71 GLN HB3 H 1 1.9800 0.05 . 1 . . . . 115 GLN HB3 . 6578 1 744 . 1 1 71 71 GLN HG2 H 1 2.5900 0.05 . 2 . . . . 115 GLN HG2 . 6578 1 745 . 1 1 71 71 GLN HG3 H 1 2.2600 0.05 . 2 . . . . 115 GLN HG3 . 6578 1 746 . 1 1 71 71 GLN N N 15 120.0000 0.5 . 1 . . . . 115 GLN N . 6578 1 747 . 1 1 72 72 LEU H H 1 7.7500 0.05 . 1 . . . . 116 LEU H . 6578 1 748 . 1 1 72 72 LEU HA H 1 4.2400 0.05 . 1 . . . . 116 LEU HA . 6578 1 749 . 1 1 72 72 LEU HD11 H 1 0.5300 0.05 . 2 . . . . 116 LEU HD1 . 6578 1 750 . 1 1 72 72 LEU HD12 H 1 0.5300 0.05 . 2 . . . . 116 LEU HD1 . 6578 1 751 . 1 1 72 72 LEU HD13 H 1 0.5300 0.05 . 2 . . . . 116 LEU HD1 . 6578 1 752 . 1 1 72 72 LEU HD21 H 1 0.4500 0.05 . 2 . . . . 116 LEU HD2 . 6578 1 753 . 1 1 72 72 LEU HD22 H 1 0.4500 0.05 . 2 . . . . 116 LEU HD2 . 6578 1 754 . 1 1 72 72 LEU HD23 H 1 0.4500 0.05 . 2 . . . . 116 LEU HD2 . 6578 1 755 . 1 1 72 72 LEU C C 13 176.2390 0.35 . 1 . . . . 116 LEU C . 6578 1 756 . 1 1 72 72 LEU CA C 13 53.0660 0.35 . 1 . . . . 116 LEU CA . 6578 1 757 . 1 1 72 72 LEU CB C 13 41.4900 0.35 . 1 . . . . 116 LEU CB . 6578 1 758 . 1 1 72 72 LEU CD1 C 13 25.6200 0.35 . 1 . . . . 116 LEU CD1 . 6578 1 759 . 1 1 72 72 LEU CD2 C 13 22.1100 0.35 . 1 . . . . 116 LEU CD2 . 6578 1 760 . 1 1 72 72 LEU N N 15 111.7500 0.5 . 1 . . . . 116 LEU N . 6578 1 761 . 1 1 73 73 HIS H H 1 7.5140 0.05 . 1 . . . . 117 HIS H . 6578 1 762 . 1 1 73 73 HIS HA H 1 4.0930 0.05 . 1 . . . . 117 HIS HA . 6578 1 763 . 1 1 73 73 HIS HB2 H 1 1.3400 0.05 . 2 . . . . 117 HIS HB2 . 6578 1 764 . 1 1 73 73 HIS HB3 H 1 1.2500 0.05 . 2 . . . . 117 HIS HB3 . 6578 1 765 . 1 1 73 73 HIS C C 13 175.0870 0.35 . 1 . . . . 117 HIS C . 6578 1 766 . 1 1 73 73 HIS CA C 13 55.8400 0.35 . 1 . . . . 117 HIS CA . 6578 1 767 . 1 1 73 73 HIS CB C 13 34.5200 0.35 . 1 . . . . 117 HIS CB . 6578 1 768 . 1 1 73 73 HIS N N 15 118.9490 0.5 . 1 . . . . 117 HIS N . 6578 1 769 . 1 1 74 74 ILE H H 1 7.9760 0.05 . 1 . . . . 118 ILE H . 6578 1 770 . 1 1 74 74 ILE HA H 1 3.8570 0.05 . 1 . . . . 118 ILE HA . 6578 1 771 . 1 1 74 74 ILE HB H 1 1.7340 0.05 . 1 . . . . 118 ILE HB . 6578 1 772 . 1 1 74 74 ILE HG12 H 1 1.2630 0.05 . 1 . . . . 118 ILE HG12 . 6578 1 773 . 1 1 74 74 ILE HG13 H 1 1.6200 0.05 . 2 . . . . 118 ILE HG13 . 6578 1 774 . 1 1 74 74 ILE HG21 H 1 0.6880 0.05 . 1 . . . . 118 ILE HG2 . 6578 1 775 . 1 1 74 74 ILE HG22 H 1 0.6880 0.05 . 1 . . . . 118 ILE HG2 . 6578 1 776 . 1 1 74 74 ILE HG23 H 1 0.6880 0.05 . 1 . . . . 118 ILE HG2 . 6578 1 777 . 1 1 74 74 ILE HD11 H 1 0.7110 0.05 . 1 . . . . 118 ILE HD1 . 6578 1 778 . 1 1 74 74 ILE HD12 H 1 0.7110 0.05 . 1 . . . . 118 ILE HD1 . 6578 1 779 . 1 1 74 74 ILE HD13 H 1 0.7110 0.05 . 1 . . . . 118 ILE HD1 . 6578 1 780 . 1 1 74 74 ILE C C 13 175.4610 0.35 . 1 . . . . 118 ILE C . 6578 1 781 . 1 1 74 74 ILE CA C 13 60.9060 0.35 . 1 . . . . 118 ILE CA . 6578 1 782 . 1 1 74 74 ILE CB C 13 36.8630 0.35 . 1 . . . . 118 ILE CB . 6578 1 783 . 1 1 74 74 ILE CG1 C 13 27.2300 0.35 . 1 . . . . 118 ILE CG1 . 6578 1 784 . 1 1 74 74 ILE CG2 C 13 16.9120 0.35 . 1 . . . . 118 ILE CG2 . 6578 1 785 . 1 1 74 74 ILE CD1 C 13 10.5170 0.35 . 1 . . . . 118 ILE CD1 . 6578 1 786 . 1 1 74 74 ILE N N 15 117.9210 0.5 . 1 . . . . 118 ILE N . 6578 1 787 . 1 1 75 75 THR H H 1 7.3070 0.05 . 1 . . . . 119 THR H . 6578 1 788 . 1 1 75 75 THR HA H 1 4.8890 0.05 . 1 . . . . 119 THR HA . 6578 1 789 . 1 1 75 75 THR HB H 1 4.4920 0.05 . 1 . . . . 119 THR HB . 6578 1 790 . 1 1 75 75 THR HG21 H 1 1.1680 0.05 . 1 . . . . 119 THR HG2 . 6578 1 791 . 1 1 75 75 THR HG22 H 1 1.1680 0.05 . 1 . . . . 119 THR HG2 . 6578 1 792 . 1 1 75 75 THR HG23 H 1 1.1680 0.05 . 1 . . . . 119 THR HG2 . 6578 1 793 . 1 1 75 75 THR CA C 13 58.8600 0.35 . 1 . . . . 119 THR CA . 6578 1 794 . 1 1 75 75 THR CB C 13 70.3700 0.35 . 1 . . . . 119 THR CB . 6578 1 795 . 1 1 75 75 THR CG2 C 13 21.7720 0.35 . 1 . . . . 119 THR CG2 . 6578 1 796 . 1 1 75 75 THR N N 15 115.9940 0.5 . 1 . . . . 119 THR N . 6578 1 797 . 1 1 76 76 PRO HA H 1 4.3300 0.05 . 1 . . . . 120 PRO HA . 6578 1 798 . 1 1 76 76 PRO HB2 H 1 2.3700 0.05 . 2 . . . . 120 PRO HB2 . 6578 1 799 . 1 1 76 76 PRO HB3 H 1 1.7100 0.05 . 2 . . . . 120 PRO HB3 . 6578 1 800 . 1 1 76 76 PRO HD2 H 1 3.8900 0.05 . 2 . . . . 120 PRO HD2 . 6578 1 801 . 1 1 76 76 PRO HD3 H 1 4.0000 0.05 . 2 . . . . 120 PRO HD3 . 6578 1 802 . 1 1 76 76 PRO CA C 13 66.6000 0.35 . 1 . . . . 120 PRO CA . 6578 1 803 . 1 1 76 76 PRO CB C 13 28.5600 0.35 . 1 . . . . 120 PRO CB . 6578 1 804 . 1 1 76 76 PRO CD C 13 50.1600 0.35 . 1 . . . . 120 PRO CD . 6578 1 805 . 1 1 77 77 GLY C C 13 175.3020 0.35 . 1 . . . . 121 GLY C . 6578 1 806 . 1 1 77 77 GLY CA C 13 45.4860 0.35 . 1 . . . . 121 GLY CA . 6578 1 807 . 1 1 78 78 THR H H 1 7.5630 0.05 . 1 . . . . 122 THR H . 6578 1 808 . 1 1 78 78 THR HA H 1 4.8180 0.05 . 1 . . . . 122 THR HA . 6578 1 809 . 1 1 78 78 THR HB H 1 4.3000 0.05 . 1 . . . . 122 THR HB . 6578 1 810 . 1 1 78 78 THR HG21 H 1 1.1300 0.05 . 1 . . . . 122 THR HG2 . 6578 1 811 . 1 1 78 78 THR HG22 H 1 1.1300 0.05 . 1 . . . . 122 THR HG2 . 6578 1 812 . 1 1 78 78 THR HG23 H 1 1.1300 0.05 . 1 . . . . 122 THR HG2 . 6578 1 813 . 1 1 78 78 THR C C 13 175.5060 0.35 . 1 . . . . 122 THR C . 6578 1 814 . 1 1 78 78 THR CA C 13 61.0300 0.35 . 1 . . . . 122 THR CA . 6578 1 815 . 1 1 78 78 THR CB C 13 69.7600 0.35 . 1 . . . . 122 THR CB . 6578 1 816 . 1 1 78 78 THR CG2 C 13 21.3000 0.35 . 1 . . . . 122 THR CG2 . 6578 1 817 . 1 1 78 78 THR N N 15 108.1590 0.5 . 1 . . . . 122 THR N . 6578 1 818 . 1 1 79 79 ALA H H 1 7.7390 0.05 . 1 . . . . 123 ALA H . 6578 1 819 . 1 1 79 79 ALA HA H 1 4.0290 0.05 . 1 . . . . 123 ALA HA . 6578 1 820 . 1 1 79 79 ALA HB1 H 1 1.7250 0.05 . 1 . . . . 123 ALA HB . 6578 1 821 . 1 1 79 79 ALA HB2 H 1 1.7250 0.05 . 1 . . . . 123 ALA HB . 6578 1 822 . 1 1 79 79 ALA HB3 H 1 1.7250 0.05 . 1 . . . . 123 ALA HB . 6578 1 823 . 1 1 79 79 ALA C C 13 177.8390 0.35 . 1 . . . . 123 ALA C . 6578 1 824 . 1 1 79 79 ALA CA C 13 55.8890 0.35 . 1 . . . . 123 ALA CA . 6578 1 825 . 1 1 79 79 ALA CB C 13 19.3770 0.35 . 1 . . . . 123 ALA CB . 6578 1 826 . 1 1 79 79 ALA N N 15 125.1140 0.5 . 1 . . . . 123 ALA N . 6578 1 827 . 1 1 80 80 TYR H H 1 8.8330 0.05 . 1 . . . . 124 TYR H . 6578 1 828 . 1 1 80 80 TYR HA H 1 2.8400 0.05 . 1 . . . . 124 TYR HA . 6578 1 829 . 1 1 80 80 TYR HB2 H 1 2.4200 0.05 . 2 . . . . 124 TYR HB2 . 6578 1 830 . 1 1 80 80 TYR HB3 H 1 2.3800 0.05 . 2 . . . . 124 TYR HB3 . 6578 1 831 . 1 1 80 80 TYR HD1 H 1 5.6900 0.05 . 1 . . . . 124 TYR HD1 . 6578 1 832 . 1 1 80 80 TYR HD2 H 1 5.6900 0.05 . 1 . . . . 124 TYR HD2 . 6578 1 833 . 1 1 80 80 TYR HE1 H 1 6.4200 0.05 . 1 . . . . 124 TYR HE1 . 6578 1 834 . 1 1 80 80 TYR HE2 H 1 6.4200 0.05 . 1 . . . . 124 TYR HE2 . 6578 1 835 . 1 1 80 80 TYR C C 13 175.6080 0.35 . 1 . . . . 124 TYR C . 6578 1 836 . 1 1 80 80 TYR CA C 13 60.8540 0.35 . 1 . . . . 124 TYR CA . 6578 1 837 . 1 1 80 80 TYR CB C 13 36.3720 0.35 . 1 . . . . 124 TYR CB . 6578 1 838 . 1 1 80 80 TYR CD1 C 13 132.1000 0.35 . 1 . . . . 124 TYR CD1 . 6578 1 839 . 1 1 80 80 TYR CD2 C 13 132.1000 0.35 . 1 . . . . 124 TYR CD2 . 6578 1 840 . 1 1 80 80 TYR CE1 C 13 117.5700 0.35 . 1 . . . . 124 TYR CE1 . 6578 1 841 . 1 1 80 80 TYR CE2 C 13 117.5700 0.35 . 1 . . . . 124 TYR CE2 . 6578 1 842 . 1 1 80 80 TYR N N 15 117.2790 0.5 . 1 . . . . 124 TYR N . 6578 1 843 . 1 1 81 81 GLN H H 1 7.9830 0.05 . 1 . . . . 125 GLN H . 6578 1 844 . 1 1 81 81 GLN HA H 1 3.7600 0.05 . 1 . . . . 125 GLN HA . 6578 1 845 . 1 1 81 81 GLN HB2 H 1 2.1500 0.05 . 2 . . . . 125 GLN HB2 . 6578 1 846 . 1 1 81 81 GLN HB3 H 1 2.1100 0.05 . 2 . . . . 125 GLN HB3 . 6578 1 847 . 1 1 81 81 GLN HG2 H 1 2.4000 0.05 . 2 . . . . 125 GLN HG2 . 6578 1 848 . 1 1 81 81 GLN CA C 13 58.6890 0.35 . 1 . . . . 125 GLN CA . 6578 1 849 . 1 1 81 81 GLN CB C 13 27.4250 0.35 . 1 . . . . 125 GLN CB . 6578 1 850 . 1 1 81 81 GLN CG C 13 34.7900 0.35 . 1 . . . . 125 GLN CG . 6578 1 851 . 1 1 81 81 GLN N N 15 117.1500 0.5 . 1 . . . . 125 GLN N . 6578 1 852 . 1 1 84 84 GLU H H 1 8.6000 0.05 . 1 . . . . 128 GLU H . 6578 1 853 . 1 1 84 84 GLU HA H 1 3.4700 0.05 . 1 . . . . 128 GLU HA . 6578 1 854 . 1 1 84 84 GLU HB2 H 1 1.7000 0.05 . 2 . . . . 128 GLU HB2 . 6578 1 855 . 1 1 84 84 GLU HB3 H 1 1.4780 0.05 . 2 . . . . 128 GLU HB3 . 6578 1 856 . 1 1 84 84 GLU HG2 H 1 1.9200 0.05 . 1 . . . . 128 GLU HG2 . 6578 1 857 . 1 1 84 84 GLU HG3 H 1 1.9200 0.05 . 1 . . . . 128 GLU HG3 . 6578 1 858 . 1 1 84 84 GLU C C 13 177.8890 0.35 . 1 . . . . 128 GLU C . 6578 1 859 . 1 1 84 84 GLU CA C 13 58.3400 0.35 . 1 . . . . 128 GLU CA . 6578 1 860 . 1 1 84 84 GLU CB C 13 29.6600 0.35 . 1 . . . . 128 GLU CB . 6578 1 861 . 1 1 84 84 GLU CG C 13 36.1600 0.35 . 1 . . . . 128 GLU CG . 6578 1 862 . 1 1 84 84 GLU N N 15 117.5600 0.5 . 1 . . . . 128 GLU N . 6578 1 863 . 1 1 85 85 GLN H H 1 7.6800 0.05 . 1 . . . . 129 GLN H . 6578 1 864 . 1 1 85 85 GLN HA H 1 3.9700 0.05 . 1 . . . . 129 GLN HA . 6578 1 865 . 1 1 85 85 GLN HB2 H 1 2.1500 0.05 . 1 . . . . 129 GLN HB2 . 6578 1 866 . 1 1 85 85 GLN HB3 H 1 2.1500 0.05 . 1 . . . . 129 GLN HB3 . 6578 1 867 . 1 1 85 85 GLN C C 13 178.9880 0.35 . 1 . . . . 129 GLN C . 6578 1 868 . 1 1 85 85 GLN CA C 13 57.5500 0.35 . 1 . . . . 129 GLN CA . 6578 1 869 . 1 1 85 85 GLN CB C 13 28.1100 0.35 . 1 . . . . 129 GLN CB . 6578 1 870 . 1 1 85 85 GLN N N 15 116.0200 0.5 . 1 . . . . 129 GLN N . 6578 1 871 . 1 1 86 86 VAL H H 1 7.9100 0.05 . 1 . . . . 130 VAL H . 6578 1 872 . 1 1 86 86 VAL HA H 1 3.2300 0.05 . 1 . . . . 130 VAL HA . 6578 1 873 . 1 1 86 86 VAL HB H 1 1.6600 0.05 . 1 . . . . 130 VAL HB . 6578 1 874 . 1 1 86 86 VAL HG11 H 1 1.0000 0.05 . 2 . . . . 130 VAL HG1 . 6578 1 875 . 1 1 86 86 VAL HG12 H 1 1.0000 0.05 . 2 . . . . 130 VAL HG1 . 6578 1 876 . 1 1 86 86 VAL HG13 H 1 1.0000 0.05 . 2 . . . . 130 VAL HG1 . 6578 1 877 . 1 1 86 86 VAL HG21 H 1 -0.2420 0.05 . 2 . . . . 130 VAL HG2 . 6578 1 878 . 1 1 86 86 VAL HG22 H 1 -0.2420 0.05 . 2 . . . . 130 VAL HG2 . 6578 1 879 . 1 1 86 86 VAL HG23 H 1 -0.2420 0.05 . 2 . . . . 130 VAL HG2 . 6578 1 880 . 1 1 86 86 VAL C C 13 177.7420 0.35 . 1 . . . . 130 VAL C . 6578 1 881 . 1 1 86 86 VAL CA C 13 66.6400 0.35 . 1 . . . . 130 VAL CA . 6578 1 882 . 1 1 86 86 VAL CB C 13 30.7200 0.35 . 1 . . . . 130 VAL CB . 6578 1 883 . 1 1 86 86 VAL CG1 C 13 22.9200 0.35 . 1 . . . . 130 VAL CG1 . 6578 1 884 . 1 1 86 86 VAL CG2 C 13 19.9500 0.35 . 1 . . . . 130 VAL CG2 . 6578 1 885 . 1 1 86 86 VAL N N 15 118.8200 0.5 . 1 . . . . 130 VAL N . 6578 1 886 . 1 1 87 87 VAL H H 1 7.8660 0.05 . 1 . . . . 131 VAL H . 6578 1 887 . 1 1 87 87 VAL HA H 1 3.2320 0.05 . 1 . . . . 131 VAL HA . 6578 1 888 . 1 1 87 87 VAL HB H 1 1.4380 0.05 . 1 . . . . 131 VAL HB . 6578 1 889 . 1 1 87 87 VAL HG11 H 1 0.2510 0.05 . 2 . . . . 131 VAL HG1 . 6578 1 890 . 1 1 87 87 VAL HG12 H 1 0.2510 0.05 . 2 . . . . 131 VAL HG1 . 6578 1 891 . 1 1 87 87 VAL HG13 H 1 0.2510 0.05 . 2 . . . . 131 VAL HG1 . 6578 1 892 . 1 1 87 87 VAL HG21 H 1 0.1580 0.05 . 2 . . . . 131 VAL HG2 . 6578 1 893 . 1 1 87 87 VAL HG22 H 1 0.1580 0.05 . 2 . . . . 131 VAL HG2 . 6578 1 894 . 1 1 87 87 VAL HG23 H 1 0.1580 0.05 . 2 . . . . 131 VAL HG2 . 6578 1 895 . 1 1 87 87 VAL C C 13 176.9140 0.35 . 1 . . . . 131 VAL C . 6578 1 896 . 1 1 87 87 VAL CA C 13 66.5330 0.35 . 1 . . . . 131 VAL CA . 6578 1 897 . 1 1 87 87 VAL CB C 13 31.0000 0.35 . 1 . . . . 131 VAL CB . 6578 1 898 . 1 1 87 87 VAL CG1 C 13 21.5160 0.35 . 1 . . . . 131 VAL CG1 . 6578 1 899 . 1 1 87 87 VAL CG2 C 13 21.0040 0.35 . 1 . . . . 131 VAL CG2 . 6578 1 900 . 1 1 87 87 VAL N N 15 115.9900 0.5 . 1 . . . . 131 VAL N . 6578 1 901 . 1 1 88 88 ASN H H 1 8.2800 0.05 . 1 . . . . 132 ASN H . 6578 1 902 . 1 1 88 88 ASN HA H 1 4.2800 0.05 . 1 . . . . 132 ASN HA . 6578 1 903 . 1 1 88 88 ASN HB2 H 1 2.7700 0.05 . 2 . . . . 132 ASN HB2 . 6578 1 904 . 1 1 88 88 ASN HB3 H 1 2.5400 0.05 . 2 . . . . 132 ASN HB3 . 6578 1 905 . 1 1 88 88 ASN C C 13 178.4620 0.35 . 1 . . . . 132 ASN C . 6578 1 906 . 1 1 88 88 ASN CA C 13 54.6500 0.35 . 1 . . . . 132 ASN CA . 6578 1 907 . 1 1 88 88 ASN CB C 13 37.1700 0.35 . 1 . . . . 132 ASN CB . 6578 1 908 . 1 1 88 88 ASN N N 15 116.3700 0.5 . 1 . . . . 132 ASN N . 6578 1 909 . 1 1 89 89 GLU H H 1 7.2400 0.05 . 1 . . . . 133 GLU H . 6578 1 910 . 1 1 89 89 GLU HA H 1 3.2580 0.05 . 1 . . . . 133 GLU HA . 6578 1 911 . 1 1 89 89 GLU HB2 H 1 2.0100 0.05 . 1 . . . . 133 GLU HB2 . 6578 1 912 . 1 1 89 89 GLU HB3 H 1 2.0100 0.05 . 1 . . . . 133 GLU HB3 . 6578 1 913 . 1 1 89 89 GLU C C 13 179.1800 0.35 . 1 . . . . 133 GLU C . 6578 1 914 . 1 1 89 89 GLU CA C 13 57.3400 0.35 . 1 . . . . 133 GLU CA . 6578 1 915 . 1 1 89 89 GLU CB C 13 28.8420 0.35 . 1 . . . . 133 GLU CB . 6578 1 916 . 1 1 89 89 GLU N N 15 117.4000 0.5 . 1 . . . . 133 GLU N . 6578 1 917 . 1 1 90 90 LEU H H 1 8.4560 0.05 . 1 . . . . 134 LEU H . 6578 1 918 . 1 1 90 90 LEU HA H 1 3.6310 0.05 . 1 . . . . 134 LEU HA . 6578 1 919 . 1 1 90 90 LEU HB2 H 1 1.6200 0.05 . 1 . . . . 134 LEU HB2 . 6578 1 920 . 1 1 90 90 LEU HB3 H 1 1.6200 0.05 . 1 . . . . 134 LEU HB3 . 6578 1 921 . 1 1 90 90 LEU HG H 1 0.0250 0.05 . 1 . . . . 134 LEU HG . 6578 1 922 . 1 1 90 90 LEU HD11 H 1 0.9300 0.05 . 2 . . . . 134 LEU HD1 . 6578 1 923 . 1 1 90 90 LEU HD12 H 1 0.9300 0.05 . 2 . . . . 134 LEU HD1 . 6578 1 924 . 1 1 90 90 LEU HD13 H 1 0.9300 0.05 . 2 . . . . 134 LEU HD1 . 6578 1 925 . 1 1 90 90 LEU HD21 H 1 0.4700 0.05 . 2 . . . . 134 LEU HD2 . 6578 1 926 . 1 1 90 90 LEU HD22 H 1 0.4700 0.05 . 2 . . . . 134 LEU HD2 . 6578 1 927 . 1 1 90 90 LEU HD23 H 1 0.4700 0.05 . 2 . . . . 134 LEU HD2 . 6578 1 928 . 1 1 90 90 LEU C C 13 174.4210 0.35 . 1 . . . . 134 LEU C . 6578 1 929 . 1 1 90 90 LEU CA C 13 57.5000 0.35 . 1 . . . . 134 LEU CA . 6578 1 930 . 1 1 90 90 LEU CG C 13 26.1500 0.35 . 1 . . . . 134 LEU CG . 6578 1 931 . 1 1 90 90 LEU CD1 C 13 25.0800 0.35 . 1 . . . . 134 LEU CD1 . 6578 1 932 . 1 1 90 90 LEU CD2 C 13 25.0800 0.35 . 1 . . . . 134 LEU CD2 . 6578 1 933 . 1 1 90 90 LEU N N 15 124.8500 0.5 . 1 . . . . 134 LEU N . 6578 1 934 . 1 1 91 91 PHE H H 1 6.8790 0.05 . 1 . . . . 135 PHE H . 6578 1 935 . 1 1 91 91 PHE HA H 1 5.0760 0.05 . 1 . . . . 135 PHE HA . 6578 1 936 . 1 1 91 91 PHE HB2 H 1 3.2730 0.05 . 2 . . . . 135 PHE HB2 . 6578 1 937 . 1 1 91 91 PHE HB3 H 1 2.4500 0.05 . 2 . . . . 135 PHE HB3 . 6578 1 938 . 1 1 91 91 PHE HD1 H 1 7.3400 0.05 . 1 . . . . 135 PHE HD1 . 6578 1 939 . 1 1 91 91 PHE HD2 H 1 7.3400 0.05 . 1 . . . . 135 PHE HD2 . 6578 1 940 . 1 1 91 91 PHE HE1 H 1 6.7000 0.05 . 1 . . . . 135 PHE HE1 . 6578 1 941 . 1 1 91 91 PHE HE2 H 1 6.7000 0.05 . 1 . . . . 135 PHE HE2 . 6578 1 942 . 1 1 91 91 PHE C C 13 178.1950 0.35 . 1 . . . . 135 PHE C . 6578 1 943 . 1 1 91 91 PHE CA C 13 55.7900 0.35 . 1 . . . . 135 PHE CA . 6578 1 944 . 1 1 91 91 PHE CB C 13 37.6240 0.35 . 1 . . . . 135 PHE CB . 6578 1 945 . 1 1 91 91 PHE CD1 C 13 132.0000 0.35 . 1 . . . . 135 PHE CD1 . 6578 1 946 . 1 1 91 91 PHE CD2 C 13 132.0000 0.35 . 1 . . . . 135 PHE CD2 . 6578 1 947 . 1 1 91 91 PHE CE1 C 13 130.0000 0.35 . 1 . . . . 135 PHE CE1 . 6578 1 948 . 1 1 91 91 PHE CE2 C 13 130.0000 0.35 . 1 . . . . 135 PHE CE2 . 6578 1 949 . 1 1 91 91 PHE N N 15 107.5170 0.5 . 1 . . . . 135 PHE N . 6578 1 950 . 1 1 92 92 ARG H H 1 7.2240 0.05 . 1 . . . . 136 ARG H . 6578 1 951 . 1 1 92 92 ARG HB2 H 1 2.2100 0.05 . 1 . . . . 136 ARG HB2 . 6578 1 952 . 1 1 92 92 ARG HB3 H 1 2.2100 0.05 . 1 . . . . 136 ARG HB3 . 6578 1 953 . 1 1 92 92 ARG HG2 H 1 1.4900 0.05 . 1 . . . . 136 ARG HG2 . 6578 1 954 . 1 1 92 92 ARG HG3 H 1 1.4900 0.05 . 1 . . . . 136 ARG HG3 . 6578 1 955 . 1 1 92 92 ARG CA C 13 59.1250 0.35 . 1 . . . . 136 ARG CA . 6578 1 956 . 1 1 92 92 ARG CB C 13 29.7410 0.35 . 1 . . . . 136 ARG CB . 6578 1 957 . 1 1 92 92 ARG N N 15 121.6460 0.5 . 1 . . . . 136 ARG N . 6578 1 958 . 1 1 93 93 ASP C C 13 175.6370 0.35 . 1 . . . . 137 ASP C . 6578 1 959 . 1 1 93 93 ASP CA C 13 52.0220 0.35 . 1 . . . . 137 ASP CA . 6578 1 960 . 1 1 93 93 ASP CB C 13 39.3580 0.35 . 1 . . . . 137 ASP CB . 6578 1 961 . 1 1 94 94 GLY H H 1 7.3030 0.05 . 1 . . . . 138 GLY H . 6578 1 962 . 1 1 94 94 GLY HA2 H 1 4.5280 0.05 . 2 . . . . 138 GLY HA2 . 6578 1 963 . 1 1 94 94 GLY HA3 H 1 3.7160 0.05 . 2 . . . . 138 GLY HA3 . 6578 1 964 . 1 1 94 94 GLY C C 13 171.5160 0.35 . 1 . . . . 138 GLY C . 6578 1 965 . 1 1 94 94 GLY CA C 13 44.1100 0.35 . 1 . . . . 138 GLY CA . 6578 1 966 . 1 1 94 94 GLY N N 15 106.2320 0.5 . 1 . . . . 138 GLY N . 6578 1 967 . 1 1 95 95 VAL H H 1 8.0220 0.05 . 1 . . . . 139 VAL H . 6578 1 968 . 1 1 95 95 VAL HA H 1 3.6990 0.05 . 1 . . . . 139 VAL HA . 6578 1 969 . 1 1 95 95 VAL HB H 1 -0.3210 0.05 . 1 . . . . 139 VAL HB . 6578 1 970 . 1 1 95 95 VAL HG11 H 1 0.3250 0.05 . 2 . . . . 139 VAL HG1 . 6578 1 971 . 1 1 95 95 VAL HG12 H 1 0.3250 0.05 . 2 . . . . 139 VAL HG1 . 6578 1 972 . 1 1 95 95 VAL HG13 H 1 0.3250 0.05 . 2 . . . . 139 VAL HG1 . 6578 1 973 . 1 1 95 95 VAL HG21 H 1 -0.5820 0.05 . 2 . . . . 139 VAL HG2 . 6578 1 974 . 1 1 95 95 VAL HG22 H 1 -0.5820 0.05 . 2 . . . . 139 VAL HG2 . 6578 1 975 . 1 1 95 95 VAL HG23 H 1 -0.5820 0.05 . 2 . . . . 139 VAL HG2 . 6578 1 976 . 1 1 95 95 VAL C C 13 174.2110 0.35 . 1 . . . . 139 VAL C . 6578 1 977 . 1 1 95 95 VAL CA C 13 61.1620 0.35 . 1 . . . . 139 VAL CA . 6578 1 978 . 1 1 95 95 VAL CB C 13 33.5380 0.35 . 1 . . . . 139 VAL CB . 6578 1 979 . 1 1 95 95 VAL CG1 C 13 20.7490 0.35 . 1 . . . . 139 VAL CG1 . 6578 1 980 . 1 1 95 95 VAL CG2 C 13 23.5620 0.35 . 1 . . . . 139 VAL CG2 . 6578 1 981 . 1 1 95 95 VAL N N 15 118.3060 0.5 . 1 . . . . 139 VAL N . 6578 1 982 . 1 1 96 96 ASN H H 1 6.2430 0.05 . 1 . . . . 140 ASN H . 6578 1 983 . 1 1 96 96 ASN HA H 1 4.1740 0.05 . 1 . . . . 140 ASN HA . 6578 1 984 . 1 1 96 96 ASN HB2 H 1 3.3800 0.05 . 2 . . . . 140 ASN HB2 . 6578 1 985 . 1 1 96 96 ASN HB3 H 1 2.9400 0.05 . 2 . . . . 140 ASN HB3 . 6578 1 986 . 1 1 96 96 ASN C C 13 175.5650 0.35 . 1 . . . . 140 ASN C . 6578 1 987 . 1 1 96 96 ASN CA C 13 52.0260 0.35 . 1 . . . . 140 ASN CA . 6578 1 988 . 1 1 96 96 ASN CB C 13 39.7550 0.35 . 1 . . . . 140 ASN CB . 6578 1 989 . 1 1 96 96 ASN N N 15 114.5810 0.5 . 1 . . . . 140 ASN N . 6578 1 990 . 1 1 97 97 TRP H H 1 8.8160 0.05 . 1 . . . . 141 TRP H . 6578 1 991 . 1 1 97 97 TRP HB2 H 1 3.6500 0.05 . 2 . . . . 141 TRP HB2 . 6578 1 992 . 1 1 97 97 TRP HB3 H 1 3.2900 0.05 . 2 . . . . 141 TRP HB3 . 6578 1 993 . 1 1 97 97 TRP HD1 H 1 7.7000 0.05 . 1 . . . . 141 TRP HD1 . 6578 1 994 . 1 1 97 97 TRP HZ2 H 1 7.1600 0.05 . 1 . . . . 141 TRP HZ2 . 6578 1 995 . 1 1 97 97 TRP HH2 H 1 6.3100 0.05 . 1 . . . . 141 TRP HH2 . 6578 1 996 . 1 1 97 97 TRP C C 13 178.9760 0.35 . 1 . . . . 141 TRP C . 6578 1 997 . 1 1 97 97 TRP CA C 13 60.4550 0.35 . 1 . . . . 141 TRP CA . 6578 1 998 . 1 1 97 97 TRP CB C 13 31.2800 0.35 . 1 . . . . 141 TRP CB . 6578 1 999 . 1 1 97 97 TRP CD1 C 13 128.6300 0.35 . 1 . . . . 141 TRP CD1 . 6578 1 1000 . 1 1 97 97 TRP CZ2 C 13 114.9000 0.35 . 1 . . . . 141 TRP CZ2 . 6578 1 1001 . 1 1 97 97 TRP CH2 C 13 125.1200 0.35 . 1 . . . . 141 TRP CH2 . 6578 1 1002 . 1 1 97 97 TRP N N 15 116.2510 0.5 . 1 . . . . 141 TRP N . 6578 1 1003 . 1 1 98 98 GLY H H 1 8.8250 0.05 . 1 . . . . 142 GLY H . 6578 1 1004 . 1 1 98 98 GLY HA2 H 1 4.1900 0.05 . 2 . . . . 142 GLY HA2 . 6578 1 1005 . 1 1 98 98 GLY HA3 H 1 4.0800 0.05 . 2 . . . . 142 GLY HA3 . 6578 1 1006 . 1 1 98 98 GLY CA C 13 47.3700 0.35 . 1 . . . . 142 GLY CA . 6578 1 1007 . 1 1 98 98 GLY N N 15 105.8470 0.5 . 1 . . . . 142 GLY N . 6578 1 1008 . 1 1 99 99 ARG H H 1 8.1000 0.05 . 1 . . . . 143 ARG H . 6578 1 1009 . 1 1 99 99 ARG HA H 1 4.2010 0.05 . 1 . . . . 143 ARG HA . 6578 1 1010 . 1 1 99 99 ARG HB2 H 1 1.4200 0.05 . 1 . . . . 143 ARG HB2 . 6578 1 1011 . 1 1 99 99 ARG HB3 H 1 1.4200 0.05 . 1 . . . . 143 ARG HB3 . 6578 1 1012 . 1 1 99 99 ARG CA C 13 57.6400 0.35 . 1 . . . . 143 ARG CA . 6578 1 1013 . 1 1 99 99 ARG CB C 13 30.9100 0.35 . 1 . . . . 143 ARG CB . 6578 1 1014 . 1 1 99 99 ARG N N 15 121.2600 0.5 . 1 . . . . 143 ARG N . 6578 1 1015 . 1 1 100 100 ILE H H 1 7.5200 0.05 . 1 . . . . 144 ILE H . 6578 1 1016 . 1 1 100 100 ILE HA H 1 3.9230 0.05 . 1 . . . . 144 ILE HA . 6578 1 1017 . 1 1 100 100 ILE HB H 1 2.2450 0.05 . 1 . . . . 144 ILE HB . 6578 1 1018 . 1 1 100 100 ILE HG12 H 1 0.7740 0.05 . 1 . . . . 144 ILE HG12 . 6578 1 1019 . 1 1 100 100 ILE HG13 H 1 1.6740 0.05 . 2 . . . . 144 ILE HG13 . 6578 1 1020 . 1 1 100 100 ILE HG21 H 1 1.2700 0.05 . 1 . . . . 144 ILE HG2 . 6578 1 1021 . 1 1 100 100 ILE HG22 H 1 1.2700 0.05 . 1 . . . . 144 ILE HG2 . 6578 1 1022 . 1 1 100 100 ILE HG23 H 1 1.2700 0.05 . 1 . . . . 144 ILE HG2 . 6578 1 1023 . 1 1 100 100 ILE HD11 H 1 0.3180 0.05 . 1 . . . . 144 ILE HD1 . 6578 1 1024 . 1 1 100 100 ILE HD12 H 1 0.3180 0.05 . 1 . . . . 144 ILE HD1 . 6578 1 1025 . 1 1 100 100 ILE HD13 H 1 0.3180 0.05 . 1 . . . . 144 ILE HD1 . 6578 1 1026 . 1 1 100 100 ILE C C 13 177.3810 0.35 . 1 . . . . 144 ILE C . 6578 1 1027 . 1 1 100 100 ILE CA C 13 67.0450 0.35 . 1 . . . . 144 ILE CA . 6578 1 1028 . 1 1 100 100 ILE CB C 13 37.3740 0.35 . 1 . . . . 144 ILE CB . 6578 1 1029 . 1 1 100 100 ILE CG1 C 13 30.4700 0.35 . 1 . . . . 144 ILE CG1 . 6578 1 1030 . 1 1 100 100 ILE CG2 C 13 17.4230 0.35 . 1 . . . . 144 ILE CG2 . 6578 1 1031 . 1 1 100 100 ILE CD1 C 13 13.8430 0.35 . 1 . . . . 144 ILE CD1 . 6578 1 1032 . 1 1 100 100 ILE N N 15 117.4000 0.5 . 1 . . . . 144 ILE N . 6578 1 1033 . 1 1 101 101 VAL H H 1 7.9800 0.05 . 1 . . . . 145 VAL H . 6578 1 1034 . 1 1 101 101 VAL HA H 1 3.4560 0.05 . 1 . . . . 145 VAL HA . 6578 1 1035 . 1 1 101 101 VAL HB H 1 2.2180 0.05 . 1 . . . . 145 VAL HB . 6578 1 1036 . 1 1 101 101 VAL HG11 H 1 1.2590 0.05 . 2 . . . . 145 VAL HG1 . 6578 1 1037 . 1 1 101 101 VAL HG12 H 1 1.2590 0.05 . 2 . . . . 145 VAL HG1 . 6578 1 1038 . 1 1 101 101 VAL HG13 H 1 1.2590 0.05 . 2 . . . . 145 VAL HG1 . 6578 1 1039 . 1 1 101 101 VAL HG21 H 1 0.6620 0.05 . 2 . . . . 145 VAL HG2 . 6578 1 1040 . 1 1 101 101 VAL HG22 H 1 0.6620 0.05 . 2 . . . . 145 VAL HG2 . 6578 1 1041 . 1 1 101 101 VAL HG23 H 1 0.6620 0.05 . 2 . . . . 145 VAL HG2 . 6578 1 1042 . 1 1 101 101 VAL CA C 13 68.0680 0.35 . 1 . . . . 145 VAL CA . 6578 1 1043 . 1 1 101 101 VAL CB C 13 31.4910 0.35 . 1 . . . . 145 VAL CB . 6578 1 1044 . 1 1 101 101 VAL CG1 C 13 24.0740 0.35 . 1 . . . . 145 VAL CG1 . 6578 1 1045 . 1 1 101 101 VAL CG2 C 13 21.2600 0.35 . 1 . . . . 145 VAL CG2 . 6578 1 1046 . 1 1 101 101 VAL N N 15 120.7400 0.5 . 1 . . . . 145 VAL N . 6578 1 1047 . 1 1 102 102 ALA H H 1 8.0700 0.05 . 1 . . . . 146 ALA H . 6578 1 1048 . 1 1 102 102 ALA HA H 1 3.1100 0.05 . 1 . . . . 146 ALA HA . 6578 1 1049 . 1 1 102 102 ALA HB1 H 1 1.1360 0.05 . 1 . . . . 146 ALA HB . 6578 1 1050 . 1 1 102 102 ALA HB2 H 1 1.1360 0.05 . 1 . . . . 146 ALA HB . 6578 1 1051 . 1 1 102 102 ALA HB3 H 1 1.1360 0.05 . 1 . . . . 146 ALA HB . 6578 1 1052 . 1 1 102 102 ALA CA C 13 54.7700 0.35 . 1 . . . . 146 ALA CA . 6578 1 1053 . 1 1 102 102 ALA CB C 13 19.3000 0.35 . 1 . . . . 146 ALA CB . 6578 1 1054 . 1 1 102 102 ALA N N 15 122.4100 0.5 . 1 . . . . 146 ALA N . 6578 1 1055 . 1 1 103 103 PHE H H 1 8.0700 0.05 . 1 . . . . 147 PHE H . 6578 1 1056 . 1 1 103 103 PHE HA H 1 3.9600 0.05 . 1 . . . . 147 PHE HA . 6578 1 1057 . 1 1 103 103 PHE HD1 H 1 7.0700 0.05 . 1 . . . . 147 PHE HD1 . 6578 1 1058 . 1 1 103 103 PHE HD2 H 1 7.0700 0.05 . 1 . . . . 147 PHE HD2 . 6578 1 1059 . 1 1 103 103 PHE HE1 H 1 6.6900 0.05 . 1 . . . . 147 PHE HE1 . 6578 1 1060 . 1 1 103 103 PHE HE2 H 1 6.6900 0.05 . 1 . . . . 147 PHE HE2 . 6578 1 1061 . 1 1 103 103 PHE CA C 13 60.4200 0.35 . 1 . . . . 147 PHE CA . 6578 1 1062 . 1 1 103 103 PHE N N 15 118.9400 0.5 . 1 . . . . 147 PHE N . 6578 1 1063 . 1 1 104 104 PHE H H 1 7.9200 0.05 . 1 . . . . 148 PHE H . 6578 1 1064 . 1 1 104 104 PHE HA H 1 3.4600 0.05 . 1 . . . . 148 PHE HA . 6578 1 1065 . 1 1 104 104 PHE HB2 H 1 2.5800 0.05 . 2 . . . . 148 PHE HB2 . 6578 1 1066 . 1 1 104 104 PHE HB3 H 1 1.2800 0.05 . 2 . . . . 148 PHE HB3 . 6578 1 1067 . 1 1 104 104 PHE HD1 H 1 7.1800 0.05 . 1 . . . . 148 PHE HD1 . 6578 1 1068 . 1 1 104 104 PHE HD2 H 1 7.1800 0.05 . 1 . . . . 148 PHE HD2 . 6578 1 1069 . 1 1 104 104 PHE HE1 H 1 7.1100 0.05 . 1 . . . . 148 PHE HE1 . 6578 1 1070 . 1 1 104 104 PHE HE2 H 1 7.1100 0.05 . 1 . . . . 148 PHE HE2 . 6578 1 1071 . 1 1 104 104 PHE CA C 13 62.8000 0.35 . 1 . . . . 148 PHE CA . 6578 1 1072 . 1 1 104 104 PHE CB C 13 36.6800 0.35 . 1 . . . . 148 PHE CB . 6578 1 1073 . 1 1 104 104 PHE CE1 C 13 130.5000 0.35 . 1 . . . . 148 PHE CE1 . 6578 1 1074 . 1 1 104 104 PHE CE2 C 13 130.5000 0.35 . 1 . . . . 148 PHE CE2 . 6578 1 1075 . 1 1 104 104 PHE N N 15 118.8200 0.5 . 1 . . . . 148 PHE N . 6578 1 1076 . 1 1 105 105 SER H H 1 8.7900 0.05 . 1 . . . . 149 SER H . 6578 1 1077 . 1 1 105 105 SER HA H 1 4.6600 0.05 . 1 . . . . 149 SER HA . 6578 1 1078 . 1 1 105 105 SER HB2 H 1 4.2800 0.05 . 2 . . . . 149 SER HB2 . 6578 1 1079 . 1 1 105 105 SER HB3 H 1 3.8200 0.05 . 2 . . . . 149 SER HB3 . 6578 1 1080 . 1 1 105 105 SER C C 13 176.9140 0.35 . 1 . . . . 149 SER C . 6578 1 1081 . 1 1 105 105 SER N N 15 116.1500 0.5 . 1 . . . . 149 SER N . 6578 1 1082 . 1 1 106 106 PHE H H 1 9.4100 0.05 . 1 . . . . 150 PHE H . 6578 1 1083 . 1 1 106 106 PHE HA H 1 4.4800 0.05 . 1 . . . . 150 PHE HA . 6578 1 1084 . 1 1 106 106 PHE HB2 H 1 3.3800 0.05 . 2 . . . . 150 PHE HB2 . 6578 1 1085 . 1 1 106 106 PHE HB3 H 1 3.1000 0.05 . 2 . . . . 150 PHE HB3 . 6578 1 1086 . 1 1 106 106 PHE HD1 H 1 7.2100 0.05 . 1 . . . . 150 PHE HD1 . 6578 1 1087 . 1 1 106 106 PHE C C 13 175.8290 0.35 . 1 . . . . 150 PHE C . 6578 1 1088 . 1 1 106 106 PHE CA C 13 60.4070 0.35 . 1 . . . . 150 PHE CA . 6578 1 1089 . 1 1 106 106 PHE CB C 13 38.7940 0.35 . 1 . . . . 150 PHE CB . 6578 1 1090 . 1 1 106 106 PHE CD1 C 13 131.8000 0.35 . 1 . . . . 150 PHE CD1 . 6578 1 1091 . 1 1 106 106 PHE CD2 C 13 131.8000 0.35 . 1 . . . . 150 PHE CD2 . 6578 1 1092 . 1 1 106 106 PHE N N 15 123.3100 0.5 . 1 . . . . 150 PHE N . 6578 1 1093 . 1 1 107 107 GLY H H 1 8.0170 0.05 . 1 . . . . 151 GLY H . 6578 1 1094 . 1 1 107 107 GLY HA2 H 1 3.4390 0.05 . 2 . . . . 151 GLY HA2 . 6578 1 1095 . 1 1 107 107 GLY HA3 H 1 3.1970 0.05 . 2 . . . . 151 GLY HA3 . 6578 1 1096 . 1 1 107 107 GLY C C 13 176.2380 0.35 . 1 . . . . 151 GLY C . 6578 1 1097 . 1 1 107 107 GLY CA C 13 47.3060 0.35 . 1 . . . . 151 GLY CA . 6578 1 1098 . 1 1 107 107 GLY N N 15 105.9750 0.5 . 1 . . . . 151 GLY N . 6578 1 1099 . 1 1 108 108 GLY H H 1 9.1060 0.05 . 1 . . . . 152 GLY H . 6578 1 1100 . 1 1 108 108 GLY HA2 H 1 4.2500 0.05 . 2 . . . . 152 GLY HA2 . 6578 1 1101 . 1 1 108 108 GLY HA3 H 1 3.7740 0.05 . 2 . . . . 152 GLY HA3 . 6578 1 1102 . 1 1 108 108 GLY C C 13 174.1230 0.35 . 1 . . . . 152 GLY C . 6578 1 1103 . 1 1 108 108 GLY CA C 13 47.1080 0.35 . 1 . . . . 152 GLY CA . 6578 1 1104 . 1 1 108 108 GLY N N 15 106.8740 0.5 . 1 . . . . 152 GLY N . 6578 1 1105 . 1 1 109 109 ALA H H 1 8.2150 0.05 . 1 . . . . 153 ALA H . 6578 1 1106 . 1 1 109 109 ALA HA H 1 4.2600 0.05 . 1 . . . . 153 ALA HA . 6578 1 1107 . 1 1 109 109 ALA HB1 H 1 1.5220 0.05 . 1 . . . . 153 ALA HB . 6578 1 1108 . 1 1 109 109 ALA HB2 H 1 1.5220 0.05 . 1 . . . . 153 ALA HB . 6578 1 1109 . 1 1 109 109 ALA HB3 H 1 1.5220 0.05 . 1 . . . . 153 ALA HB . 6578 1 1110 . 1 1 109 109 ALA CA C 13 54.3010 0.35 . 1 . . . . 153 ALA CA . 6578 1 1111 . 1 1 109 109 ALA CB C 13 18.7020 0.35 . 1 . . . . 153 ALA CB . 6578 1 1112 . 1 1 109 109 ALA N N 15 124.2150 0.5 . 1 . . . . 153 ALA N . 6578 1 1113 . 1 1 110 110 LEU H H 1 8.3700 0.05 . 1 . . . . 154 LEU H . 6578 1 1114 . 1 1 110 110 LEU HA H 1 3.7600 0.05 . 1 . . . . 154 LEU HA . 6578 1 1115 . 1 1 110 110 LEU HB2 H 1 1.4500 0.05 . 2 . . . . 154 LEU HB2 . 6578 1 1116 . 1 1 110 110 LEU HB3 H 1 1.2400 0.05 . 2 . . . . 154 LEU HB3 . 6578 1 1117 . 1 1 110 110 LEU HG H 1 0.8600 0.05 . 1 . . . . 154 LEU HG . 6578 1 1118 . 1 1 110 110 LEU HD11 H 1 0.6820 0.05 . 2 . . . . 154 LEU HD1 . 6578 1 1119 . 1 1 110 110 LEU HD12 H 1 0.6820 0.05 . 2 . . . . 154 LEU HD1 . 6578 1 1120 . 1 1 110 110 LEU HD13 H 1 0.6820 0.05 . 2 . . . . 154 LEU HD1 . 6578 1 1121 . 1 1 110 110 LEU HD21 H 1 0.6150 0.05 . 2 . . . . 154 LEU HD2 . 6578 1 1122 . 1 1 110 110 LEU HD22 H 1 0.6150 0.05 . 2 . . . . 154 LEU HD2 . 6578 1 1123 . 1 1 110 110 LEU HD23 H 1 0.6150 0.05 . 2 . . . . 154 LEU HD2 . 6578 1 1124 . 1 1 110 110 LEU C C 13 179.3430 0.35 . 1 . . . . 154 LEU C . 6578 1 1125 . 1 1 110 110 LEU CA C 13 56.9040 0.35 . 1 . . . . 154 LEU CA . 6578 1 1126 . 1 1 110 110 LEU CB C 13 41.8000 0.35 . 1 . . . . 154 LEU CB . 6578 1 1127 . 1 1 110 110 LEU CG C 13 25.3300 0.35 . 1 . . . . 154 LEU CG . 6578 1 1128 . 1 1 110 110 LEU CD1 C 13 24.5400 0.35 . 1 . . . . 154 LEU CD1 . 6578 1 1129 . 1 1 110 110 LEU CD2 C 13 24.0000 0.35 . 1 . . . . 154 LEU CD2 . 6578 1 1130 . 1 1 110 110 LEU N N 15 118.5900 0.5 . 1 . . . . 154 LEU N . 6578 1 1131 . 1 1 111 111 CYS H H 1 8.2400 0.05 . 1 . . . . 155 CYS H . 6578 1 1132 . 1 1 111 111 CYS HA H 1 3.7040 0.05 . 1 . . . . 155 CYS HA . 6578 1 1133 . 1 1 111 111 CYS HB2 H 1 3.0830 0.05 . 2 . . . . 155 CYS HB2 . 6578 1 1134 . 1 1 111 111 CYS HB3 H 1 2.8200 0.05 . 2 . . . . 155 CYS HB3 . 6578 1 1135 . 1 1 111 111 CYS C C 13 176.5000 0.35 . 1 . . . . 155 CYS C . 6578 1 1136 . 1 1 111 111 CYS CA C 13 64.2000 0.35 . 1 . . . . 155 CYS CA . 6578 1 1137 . 1 1 111 111 CYS CB C 13 26.3010 0.35 . 1 . . . . 155 CYS CB . 6578 1 1138 . 1 1 111 111 CYS N N 15 118.6920 0.5 . 1 . . . . 155 CYS N . 6578 1 1139 . 1 1 112 112 VAL H H 1 7.9630 0.05 . 1 . . . . 156 VAL H . 6578 1 1140 . 1 1 112 112 VAL HA H 1 3.3890 0.05 . 1 . . . . 156 VAL HA . 6578 1 1141 . 1 1 112 112 VAL HB H 1 2.1250 0.05 . 1 . . . . 156 VAL HB . 6578 1 1142 . 1 1 112 112 VAL HG11 H 1 1.0150 0.05 . 2 . . . . 156 VAL HG1 . 6578 1 1143 . 1 1 112 112 VAL HG12 H 1 1.0150 0.05 . 2 . . . . 156 VAL HG1 . 6578 1 1144 . 1 1 112 112 VAL HG13 H 1 1.0150 0.05 . 2 . . . . 156 VAL HG1 . 6578 1 1145 . 1 1 112 112 VAL HG21 H 1 1.0030 0.05 . 2 . . . . 156 VAL HG2 . 6578 1 1146 . 1 1 112 112 VAL HG22 H 1 1.0030 0.05 . 2 . . . . 156 VAL HG2 . 6578 1 1147 . 1 1 112 112 VAL HG23 H 1 1.0030 0.05 . 2 . . . . 156 VAL HG2 . 6578 1 1148 . 1 1 112 112 VAL C C 13 177.8950 0.35 . 1 . . . . 156 VAL C . 6578 1 1149 . 1 1 112 112 VAL CA C 13 66.7890 0.35 . 1 . . . . 156 VAL CA . 6578 1 1150 . 1 1 112 112 VAL CB C 13 31.4910 0.35 . 1 . . . . 156 VAL CB . 6578 1 1151 . 1 1 112 112 VAL CG1 C 13 22.5390 0.35 . 1 . . . . 156 VAL CG1 . 6578 1 1152 . 1 1 112 112 VAL CG2 C 13 22.5390 0.35 . 1 . . . . 156 VAL CG2 . 6578 1 1153 . 1 1 112 112 VAL N N 15 117.1500 0.5 . 1 . . . . 156 VAL N . 6578 1 1154 . 1 1 113 113 GLU H H 1 8.3090 0.05 . 1 . . . . 157 GLU H . 6578 1 1155 . 1 1 113 113 GLU HA H 1 4.1200 0.05 . 1 . . . . 157 GLU HA . 6578 1 1156 . 1 1 113 113 GLU HB2 H 1 2.0200 0.05 . 2 . . . . 157 GLU HB2 . 6578 1 1157 . 1 1 113 113 GLU HB3 H 1 1.9700 0.05 . 2 . . . . 157 GLU HB3 . 6578 1 1158 . 1 1 113 113 GLU HG2 H 1 2.2600 0.05 . 2 . . . . 157 GLU HG2 . 6578 1 1159 . 1 1 113 113 GLU HG3 H 1 2.1600 0.05 . 2 . . . . 157 GLU HG3 . 6578 1 1160 . 1 1 113 113 GLU C C 13 178.5140 0.35 . 1 . . . . 157 GLU C . 6578 1 1161 . 1 1 113 113 GLU CA C 13 58.9340 0.35 . 1 . . . . 157 GLU CA . 6578 1 1162 . 1 1 113 113 GLU CB C 13 29.1210 0.35 . 1 . . . . 157 GLU CB . 6578 1 1163 . 1 1 113 113 GLU CG C 13 36.1300 0.35 . 1 . . . . 157 GLU CG . 6578 1 1164 . 1 1 113 113 GLU N N 15 118.6920 0.5 . 1 . . . . 157 GLU N . 6578 1 1165 . 1 1 114 114 SER H H 1 7.8900 0.05 . 1 . . . . 158 SER H . 6578 1 1166 . 1 1 114 114 SER HA H 1 3.8200 0.05 . 1 . . . . 158 SER HA . 6578 1 1167 . 1 1 114 114 SER HB2 H 1 3.6360 0.05 . 2 . . . . 158 SER HB2 . 6578 1 1168 . 1 1 114 114 SER C C 13 175.5150 0.35 . 1 . . . . 158 SER C . 6578 1 1169 . 1 1 114 114 SER CA C 13 63.1850 0.35 . 1 . . . . 158 SER CA . 6578 1 1170 . 1 1 114 114 SER CB C 13 61.6450 0.35 . 1 . . . . 158 SER CB . 6578 1 1171 . 1 1 114 114 SER N N 15 113.8110 0.5 . 1 . . . . 158 SER N . 6578 1 1172 . 1 1 115 115 VAL H H 1 7.1400 0.05 . 1 . . . . 159 VAL H . 6578 1 1173 . 1 1 115 115 VAL HA H 1 3.1230 0.05 . 1 . . . . 159 VAL HA . 6578 1 1174 . 1 1 115 115 VAL HB H 1 1.5660 0.05 . 1 . . . . 159 VAL HB . 6578 1 1175 . 1 1 115 115 VAL HG11 H 1 0.1510 0.05 . 2 . . . . 159 VAL HG1 . 6578 1 1176 . 1 1 115 115 VAL HG12 H 1 0.1510 0.05 . 2 . . . . 159 VAL HG1 . 6578 1 1177 . 1 1 115 115 VAL HG13 H 1 0.1510 0.05 . 2 . . . . 159 VAL HG1 . 6578 1 1178 . 1 1 115 115 VAL HG21 H 1 -0.0660 0.05 . 2 . . . . 159 VAL HG2 . 6578 1 1179 . 1 1 115 115 VAL HG22 H 1 -0.0660 0.05 . 2 . . . . 159 VAL HG2 . 6578 1 1180 . 1 1 115 115 VAL HG23 H 1 -0.0660 0.05 . 2 . . . . 159 VAL HG2 . 6578 1 1181 . 1 1 115 115 VAL C C 13 178.9260 0.35 . 1 . . . . 159 VAL C . 6578 1 1182 . 1 1 115 115 VAL CA C 13 66.2780 0.35 . 1 . . . . 159 VAL CA . 6578 1 1183 . 1 1 115 115 VAL CB C 13 31.2360 0.35 . 1 . . . . 159 VAL CB . 6578 1 1184 . 1 1 115 115 VAL CG1 C 13 22.5390 0.35 . 1 . . . . 159 VAL CG1 . 6578 1 1185 . 1 1 115 115 VAL CG2 C 13 21.0040 0.35 . 1 . . . . 159 VAL CG2 . 6578 1 1186 . 1 1 115 115 VAL N N 15 120.3620 0.5 . 1 . . . . 159 VAL N . 6578 1 1187 . 1 1 116 116 ASP H H 1 7.9010 0.05 . 1 . . . . 160 ASP H . 6578 1 1188 . 1 1 116 116 ASP HA H 1 4.4170 0.05 . 1 . . . . 160 ASP HA . 6578 1 1189 . 1 1 116 116 ASP HB2 H 1 2.9300 0.05 . 2 . . . . 160 ASP HB2 . 6578 1 1190 . 1 1 116 116 ASP HB3 H 1 2.7400 0.05 . 2 . . . . 160 ASP HB3 . 6578 1 1191 . 1 1 116 116 ASP C C 13 177.7410 0.35 . 1 . . . . 160 ASP C . 6578 1 1192 . 1 1 116 116 ASP CA C 13 56.8140 0.35 . 1 . . . . 160 ASP CA . 6578 1 1193 . 1 1 116 116 ASP CB C 13 41.0750 0.35 . 1 . . . . 160 ASP CB . 6578 1 1194 . 1 1 116 116 ASP N N 15 121.0040 0.5 . 1 . . . . 160 ASP N . 6578 1 1195 . 1 1 117 117 LYS H H 1 7.8570 0.05 . 1 . . . . 161 LYS H . 6578 1 1196 . 1 1 117 117 LYS HA H 1 4.4620 0.05 . 1 . . . . 161 LYS HA . 6578 1 1197 . 1 1 117 117 LYS HB2 H 1 2.1700 0.05 . 2 . . . . 161 LYS HB2 . 6578 1 1198 . 1 1 117 117 LYS HB3 H 1 1.6300 0.05 . 2 . . . . 161 LYS HB3 . 6578 1 1199 . 1 1 117 117 LYS HG2 H 1 1.5300 0.05 . 2 . . . . 161 LYS HG2 . 6578 1 1200 . 1 1 117 117 LYS HG3 H 1 1.4500 0.05 . 2 . . . . 161 LYS HG3 . 6578 1 1201 . 1 1 117 117 LYS HD2 H 1 1.6100 0.05 . 1 . . . . 161 LYS HD2 . 6578 1 1202 . 1 1 117 117 LYS HD3 H 1 1.6100 0.05 . 1 . . . . 161 LYS HD3 . 6578 1 1203 . 1 1 117 117 LYS HE2 H 1 2.9300 0.05 . 1 . . . . 161 LYS HE2 . 6578 1 1204 . 1 1 117 117 LYS C C 13 175.1570 0.35 . 1 . . . . 161 LYS C . 6578 1 1205 . 1 1 117 117 LYS CA C 13 54.3180 0.35 . 1 . . . . 161 LYS CA . 6578 1 1206 . 1 1 117 117 LYS CB C 13 30.4460 0.35 . 1 . . . . 161 LYS CB . 6578 1 1207 . 1 1 117 117 LYS CG C 13 25.0810 0.35 . 1 . . . . 161 LYS CG . 6578 1 1208 . 1 1 117 117 LYS CD C 13 28.3100 0.35 . 1 . . . . 161 LYS CD . 6578 1 1209 . 1 1 117 117 LYS CE C 13 42.3300 0.35 . 1 . . . . 161 LYS CE . 6578 1 1210 . 1 1 117 117 LYS N N 15 115.2240 0.5 . 1 . . . . 161 LYS N . 6578 1 1211 . 1 1 118 118 LYS H H 1 7.7880 0.05 . 1 . . . . 162 LYS H . 6578 1 1212 . 1 1 118 118 LYS HA H 1 4.0330 0.05 . 1 . . . . 162 LYS HA . 6578 1 1213 . 1 1 118 118 LYS HB2 H 1 2.2800 0.05 . 2 . . . . 162 LYS HB2 . 6578 1 1214 . 1 1 118 118 LYS HB3 H 1 2.2400 0.05 . 2 . . . . 162 LYS HB3 . 6578 1 1215 . 1 1 118 118 LYS HG2 H 1 2.2000 0.05 . 1 . . . . 162 LYS HG2 . 6578 1 1216 . 1 1 118 118 LYS HG3 H 1 2.2000 0.05 . 1 . . . . 162 LYS HG3 . 6578 1 1217 . 1 1 118 118 LYS C C 13 176.0700 0.35 . 1 . . . . 162 LYS C . 6578 1 1218 . 1 1 118 118 LYS CA C 13 57.4360 0.35 . 1 . . . . 162 LYS CA . 6578 1 1219 . 1 1 118 118 LYS CB C 13 36.9400 0.35 . 1 . . . . 162 LYS CG . 6578 1 1220 . 1 1 118 118 LYS CG C 13 25.8460 0.35 . 1 . . . . 162 LYS CB . 6578 1 1221 . 1 1 118 118 LYS N N 15 112.9120 0.5 . 1 . . . . 162 LYS N . 6578 1 1222 . 1 1 119 119 MET H H 1 8.7450 0.05 . 1 . . . . 163 MET H . 6578 1 1223 . 1 1 119 119 MET HA H 1 4.8230 0.05 . 1 . . . . 163 MET HA . 6578 1 1224 . 1 1 119 119 MET HB2 H 1 2.5200 0.05 . 2 . . . . 163 MET HB2 . 6578 1 1225 . 1 1 119 119 MET HB3 H 1 2.3600 0.05 . 2 . . . . 163 MET HB3 . 6578 1 1226 . 1 1 119 119 MET HG2 H 1 1.9200 0.05 . 1 . . . . 163 MET HG2 . 6578 1 1227 . 1 1 119 119 MET HG3 H 1 1.9200 0.05 . 1 . . . . 163 MET HG3 . 6578 1 1228 . 1 1 119 119 MET C C 13 176.8080 0.35 . 1 . . . . 163 MET C . 6578 1 1229 . 1 1 119 119 MET CA C 13 53.4860 0.35 . 1 . . . . 163 MET CA . 6578 1 1230 . 1 1 119 119 MET CB C 13 32.6770 0.35 . 1 . . . . 163 MET CB . 6578 1 1231 . 1 1 119 119 MET CG C 13 33.1700 0.35 . 1 . . . . 163 MET CG . 6578 1 1232 . 1 1 119 119 MET CE C 13 16.7200 0.35 . 1 . . . . 163 MET CE . 6578 1 1233 . 1 1 119 119 MET N N 15 118.6920 0.5 . 1 . . . . 163 MET N . 6578 1 1234 . 1 1 120 120 GLN H H 1 8.8010 0.05 . 1 . . . . 164 GLN H . 6578 1 1235 . 1 1 120 120 GLN HA H 1 3.4300 0.05 . 1 . . . . 164 GLN HA . 6578 1 1236 . 1 1 120 120 GLN HB2 H 1 1.9900 0.05 . 1 . . . . 164 GLN HB2 . 6578 1 1237 . 1 1 120 120 GLN HB3 H 1 1.9900 0.05 . 1 . . . . 164 GLN HB3 . 6578 1 1238 . 1 1 120 120 GLN HG2 H 1 2.4800 0.05 . 2 . . . . 164 GLN HG2 . 6578 1 1239 . 1 1 120 120 GLN HG3 H 1 2.3400 0.05 . 2 . . . . 164 GLN HG3 . 6578 1 1240 . 1 1 120 120 GLN C C 13 177.1100 0.35 . 1 . . . . 164 GLN C . 6578 1 1241 . 1 1 120 120 GLN CA C 13 59.2690 0.35 . 1 . . . . 164 GLN CA . 6578 1 1242 . 1 1 120 120 GLN CB C 13 26.9620 0.35 . 1 . . . . 164 GLN CB . 6578 1 1243 . 1 1 120 120 GLN CG C 13 33.7090 0.35 . 1 . . . . 164 GLN CG . 6578 1 1244 . 1 1 120 120 GLN N N 15 118.6920 0.5 . 1 . . . . 164 GLN N . 6578 1 1245 . 1 1 121 121 VAL H H 1 7.8860 0.05 . 1 . . . . 165 VAL H . 6578 1 1246 . 1 1 121 121 VAL HA H 1 4.0490 0.05 . 1 . . . . 165 VAL HA . 6578 1 1247 . 1 1 121 121 VAL HB H 1 2.1700 0.05 . 1 . . . . 165 VAL HB . 6578 1 1248 . 1 1 121 121 VAL HG11 H 1 0.9060 0.05 . 2 . . . . 165 VAL HG1 . 6578 1 1249 . 1 1 121 121 VAL HG12 H 1 0.9060 0.05 . 2 . . . . 165 VAL HG1 . 6578 1 1250 . 1 1 121 121 VAL HG13 H 1 0.9060 0.05 . 2 . . . . 165 VAL HG1 . 6578 1 1251 . 1 1 121 121 VAL HG21 H 1 0.8650 0.05 . 2 . . . . 165 VAL HG2 . 6578 1 1252 . 1 1 121 121 VAL HG22 H 1 0.8650 0.05 . 2 . . . . 165 VAL HG2 . 6578 1 1253 . 1 1 121 121 VAL HG23 H 1 0.8650 0.05 . 2 . . . . 165 VAL HG2 . 6578 1 1254 . 1 1 121 121 VAL C C 13 175.5110 0.35 . 1 . . . . 165 VAL C . 6578 1 1255 . 1 1 121 121 VAL CA C 13 63.3700 0.35 . 1 . . . . 165 VAL CA . 6578 1 1256 . 1 1 121 121 VAL CB C 13 31.2360 0.35 . 1 . . . . 165 VAL CB . 6578 1 1257 . 1 1 121 121 VAL CG1 C 13 19.9810 0.35 . 1 . . . . 165 VAL CG1 . 6578 1 1258 . 1 1 121 121 VAL CG2 C 13 19.9810 0.35 . 1 . . . . 165 VAL CG2 . 6578 1 1259 . 1 1 121 121 VAL N N 15 118.0500 0.5 . 1 . . . . 165 VAL N . 6578 1 1260 . 1 1 122 122 LEU H H 1 8.0320 0.05 . 1 . . . . 166 LEU H . 6578 1 1261 . 1 1 122 122 LEU HA H 1 3.8400 0.05 . 1 . . . . 166 LEU HA . 6578 1 1262 . 1 1 122 122 LEU HB2 H 1 1.9100 0.05 . 2 . . . . 166 LEU HB2 . 6578 1 1263 . 1 1 122 122 LEU HB3 H 1 1.2300 0.05 . 2 . . . . 166 LEU HB3 . 6578 1 1264 . 1 1 122 122 LEU HD11 H 1 0.9300 0.05 . 2 . . . . 166 LEU HD1 . 6578 1 1265 . 1 1 122 122 LEU HD12 H 1 0.9300 0.05 . 2 . . . . 166 LEU HD1 . 6578 1 1266 . 1 1 122 122 LEU HD13 H 1 0.9300 0.05 . 2 . . . . 166 LEU HD1 . 6578 1 1267 . 1 1 122 122 LEU HD21 H 1 0.8300 0.05 . 2 . . . . 166 LEU HD2 . 6578 1 1268 . 1 1 122 122 LEU HD22 H 1 0.8300 0.05 . 2 . . . . 166 LEU HD2 . 6578 1 1269 . 1 1 122 122 LEU HD23 H 1 0.8300 0.05 . 2 . . . . 166 LEU HD2 . 6578 1 1270 . 1 1 122 122 LEU C C 13 177.8920 0.35 . 1 . . . . 166 LEU C . 6578 1 1271 . 1 1 122 122 LEU CA C 13 55.4070 0.35 . 1 . . . . 166 LEU CA . 6578 1 1272 . 1 1 122 122 LEU CB C 13 41.5210 0.35 . 1 . . . . 166 LEU CB . 6578 1 1273 . 1 1 122 122 LEU CD1 C 13 23.4600 0.35 . 1 . . . . 166 LEU CD1 . 6578 1 1274 . 1 1 122 122 LEU CD2 C 13 25.6200 0.35 . 1 . . . . 166 LEU CD2 . 6578 1 1275 . 1 1 122 122 LEU N N 15 115.7370 0.5 . 1 . . . . 166 LEU N . 6578 1 1276 . 1 1 123 123 VAL H H 1 7.3710 0.05 . 1 . . . . 167 VAL H . 6578 1 1277 . 1 1 123 123 VAL HA H 1 3.3180 0.05 . 1 . . . . 167 VAL HA . 6578 1 1278 . 1 1 123 123 VAL HB H 1 1.7510 0.05 . 1 . . . . 167 VAL HB . 6578 1 1279 . 1 1 123 123 VAL HG11 H 1 0.4160 0.05 . 2 . . . . 167 VAL HG1 . 6578 1 1280 . 1 1 123 123 VAL HG12 H 1 0.4160 0.05 . 2 . . . . 167 VAL HG1 . 6578 1 1281 . 1 1 123 123 VAL HG13 H 1 0.4160 0.05 . 2 . . . . 167 VAL HG1 . 6578 1 1282 . 1 1 123 123 VAL HG21 H 1 0.3980 0.05 . 2 . . . . 167 VAL HG2 . 6578 1 1283 . 1 1 123 123 VAL HG22 H 1 0.3980 0.05 . 2 . . . . 167 VAL HG2 . 6578 1 1284 . 1 1 123 123 VAL HG23 H 1 0.3980 0.05 . 2 . . . . 167 VAL HG2 . 6578 1 1285 . 1 1 123 123 VAL CA C 13 67.8120 0.35 . 1 . . . . 167 VAL CA . 6578 1 1286 . 1 1 123 123 VAL CB C 13 30.7240 0.35 . 1 . . . . 167 VAL CB . 6578 1 1287 . 1 1 123 123 VAL CG1 C 13 23.0510 0.35 . 1 . . . . 167 VAL CG1 . 6578 1 1288 . 1 1 123 123 VAL CG2 C 13 21.5160 0.35 . 1 . . . . 167 VAL CG2 . 6578 1 1289 . 1 1 123 123 VAL N N 15 119.3340 0.5 . 1 . . . . 167 VAL N . 6578 1 1290 . 1 1 124 124 SER H H 1 8.4630 0.05 . 1 . . . . 168 SER H . 6578 1 1291 . 1 1 124 124 SER HA H 1 3.8840 0.05 . 1 . . . . 168 SER HA . 6578 1 1292 . 1 1 124 124 SER HB2 H 1 3.7900 0.05 . 2 . . . . 168 SER HB2 . 6578 1 1293 . 1 1 124 124 SER HB3 H 1 3.7200 0.05 . 2 . . . . 168 SER HB3 . 6578 1 1294 . 1 1 124 124 SER C C 13 177.3300 0.35 . 1 . . . . 168 SER C . 6578 1 1295 . 1 1 124 124 SER CA C 13 60.4600 0.35 . 1 . . . . 168 SER CA . 6578 1 1296 . 1 1 124 124 SER CB C 13 62.0000 0.35 . 1 . . . . 168 SER CB . 6578 1 1297 . 1 1 124 124 SER N N 15 109.9570 0.5 . 1 . . . . 168 SER N . 6578 1 1298 . 1 1 125 125 ARG H H 1 6.5300 0.05 . 1 . . . . 169 ARG H . 6578 1 1299 . 1 1 125 125 ARG HA H 1 3.5900 0.05 . 1 . . . . 169 ARG HA . 6578 1 1300 . 1 1 125 125 ARG HB2 H 1 1.0900 0.05 . 1 . . . . 169 ARG HB2 . 6578 1 1301 . 1 1 125 125 ARG HB3 H 1 1.0900 0.05 . 1 . . . . 169 ARG HB3 . 6578 1 1302 . 1 1 125 125 ARG HG2 H 1 1.7100 0.05 . 2 . . . . 169 ARG HG2 . 6578 1 1303 . 1 1 125 125 ARG HG3 H 1 1.5100 0.05 . 2 . . . . 169 ARG HG3 . 6578 1 1304 . 1 1 125 125 ARG HD2 H 1 3.2000 0.05 . 2 . . . . 169 ARG HD2 . 6578 1 1305 . 1 1 125 125 ARG HD3 H 1 2.9900 0.05 . 2 . . . . 169 ARG HD3 . 6578 1 1306 . 1 1 125 125 ARG C C 13 175.0870 0.35 . 1 . . . . 169 ARG C . 6578 1 1307 . 1 1 125 125 ARG CA C 13 57.8200 0.35 . 1 . . . . 169 ARG CA . 6578 1 1308 . 1 1 125 125 ARG CB C 13 29.1200 0.35 . 1 . . . . 169 ARG CB . 6578 1 1309 . 1 1 125 125 ARG CG C 13 26.6900 0.35 . 1 . . . . 169 ARG CG . 6578 1 1310 . 1 1 125 125 ARG CD C 13 43.6800 0.35 . 1 . . . . 169 ARG CD . 6578 1 1311 . 1 1 125 125 ARG N N 15 121.3800 0.5 . 1 . . . . 169 ARG N . 6578 1 1312 . 1 1 126 126 ILE H H 1 8.0790 0.05 . 1 . . . . 170 ILE H . 6578 1 1313 . 1 1 126 126 ILE HA H 1 2.6530 0.05 . 1 . . . . 170 ILE HA . 6578 1 1314 . 1 1 126 126 ILE HB H 1 1.4770 0.05 . 1 . . . . 170 ILE HB . 6578 1 1315 . 1 1 126 126 ILE HG12 H 1 1.2070 0.05 . 1 . . . . 170 ILE HG12 . 6578 1 1316 . 1 1 126 126 ILE HG13 H 1 1.2730 0.05 . 2 . . . . 170 ILE HG13 . 6578 1 1317 . 1 1 126 126 ILE HG21 H 1 0.6340 0.05 . 1 . . . . 170 ILE HG2 . 6578 1 1318 . 1 1 126 126 ILE HG22 H 1 0.6340 0.05 . 1 . . . . 170 ILE HG2 . 6578 1 1319 . 1 1 126 126 ILE HG23 H 1 0.6340 0.05 . 1 . . . . 170 ILE HG2 . 6578 1 1320 . 1 1 126 126 ILE HD11 H 1 0.5080 0.05 . 1 . . . . 170 ILE HD1 . 6578 1 1321 . 1 1 126 126 ILE HD12 H 1 0.5080 0.05 . 1 . . . . 170 ILE HD1 . 6578 1 1322 . 1 1 126 126 ILE HD13 H 1 0.5080 0.05 . 1 . . . . 170 ILE HD1 . 6578 1 1323 . 1 1 126 126 ILE C C 13 177.8970 0.35 . 1 . . . . 170 ILE C . 6578 1 1324 . 1 1 126 126 ILE CA C 13 64.7430 0.35 . 1 . . . . 170 ILE CA . 6578 1 1325 . 1 1 126 126 ILE CB C 13 37.6300 0.35 . 1 . . . . 170 ILE CB . 6578 1 1326 . 1 1 126 126 ILE CG2 C 13 17.9350 0.35 . 1 . . . . 170 ILE CG2 . 6578 1 1327 . 1 1 126 126 ILE CD1 C 13 14.8660 0.35 . 1 . . . . 170 ILE CD1 . 6578 1 1328 . 1 1 126 126 ILE N N 15 117.7930 0.5 . 1 . . . . 170 ILE N . 6578 1 1329 . 1 1 127 127 ALA H H 1 7.2700 0.05 . 1 . . . . 171 ALA H . 6578 1 1330 . 1 1 127 127 ALA HA H 1 3.8160 0.05 . 1 . . . . 171 ALA HA . 6578 1 1331 . 1 1 127 127 ALA HB1 H 1 1.4490 0.05 . 1 . . . . 171 ALA HB . 6578 1 1332 . 1 1 127 127 ALA HB2 H 1 1.4490 0.05 . 1 . . . . 171 ALA HB . 6578 1 1333 . 1 1 127 127 ALA HB3 H 1 1.4490 0.05 . 1 . . . . 171 ALA HB . 6578 1 1334 . 1 1 127 127 ALA C C 13 179.1450 0.35 . 1 . . . . 171 ALA C . 6578 1 1335 . 1 1 127 127 ALA CA C 13 54.4740 0.35 . 1 . . . . 171 ALA CA . 6578 1 1336 . 1 1 127 127 ALA CB C 13 18.0090 0.35 . 1 . . . . 171 ALA CB . 6578 1 1337 . 1 1 127 127 ALA N N 15 117.9210 0.5 . 1 . . . . 171 ALA N . 6578 1 1338 . 1 1 128 128 ALA HA H 1 4.1570 0.05 . 1 . . . . 172 ALA HA . 6578 1 1339 . 1 1 128 128 ALA HB1 H 1 1.4900 0.05 . 1 . . . . 172 ALA HB . 6578 1 1340 . 1 1 128 128 ALA HB2 H 1 1.4900 0.05 . 1 . . . . 172 ALA HB . 6578 1 1341 . 1 1 128 128 ALA HB3 H 1 1.4900 0.05 . 1 . . . . 172 ALA HB . 6578 1 1342 . 1 1 128 128 ALA C C 13 180.7960 0.35 . 1 . . . . 172 ALA C . 6578 1 1343 . 1 1 128 128 ALA CA C 13 55.0230 0.35 . 1 . . . . 172 ALA CA . 6578 1 1344 . 1 1 128 128 ALA CB C 13 17.4230 0.35 . 1 . . . . 172 ALA CB . 6578 1 1345 . 1 1 128 128 ALA N N 15 120.1050 0.5 . 1 . . . . 172 ALA N . 6578 1 1346 . 1 1 129 129 TRP H H 1 8.9100 0.05 . 1 . . . . 173 TRP H . 6578 1 1347 . 1 1 129 129 TRP HA H 1 4.7110 0.05 . 1 . . . . 173 TRP HA . 6578 1 1348 . 1 1 129 129 TRP HB2 H 1 2.8500 0.05 . 2 . . . . 173 TRP HB2 . 6578 1 1349 . 1 1 129 129 TRP HB3 H 1 2.6990 0.05 . 2 . . . . 173 TRP HB3 . 6578 1 1350 . 1 1 129 129 TRP HD1 H 1 7.0700 0.05 . 1 . . . . 173 TRP HD1 . 6578 1 1351 . 1 1 129 129 TRP HZ2 H 1 7.4000 0.05 . 1 . . . . 173 TRP HZ2 . 6578 1 1352 . 1 1 129 129 TRP HZ3 H 1 6.4500 0.05 . 1 . . . . 173 TRP HZ3 . 6578 1 1353 . 1 1 129 129 TRP HH2 H 1 7.0330 0.05 . 1 . . . . 173 TRP HH2 . 6578 1 1354 . 1 1 129 129 TRP CA C 13 57.4930 0.35 . 1 . . . . 173 TRP CA . 6578 1 1355 . 1 1 129 129 TRP CB C 13 28.4780 0.35 . 1 . . . . 173 TRP CB . 6578 1 1356 . 1 1 129 129 TRP CD1 C 13 125.1200 0.35 . 1 . . . . 173 TRP CD1 . 6578 1 1357 . 1 1 129 129 TRP CZ2 C 13 114.3000 0.35 . 1 . . . . 173 TRP CZ2 . 6578 1 1358 . 1 1 129 129 TRP CZ3 C 13 120.3000 0.35 . 1 . . . . 173 TRP CZ3 . 6578 1 1359 . 1 1 129 129 TRP CH2 C 13 123.2300 0.35 . 1 . . . . 173 TRP CH2 . 6578 1 1360 . 1 1 129 129 TRP N N 15 121.3890 0.5 . 1 . . . . 173 TRP N . 6578 1 1361 . 1 1 130 130 MET H H 1 9.0300 0.05 . 1 . . . . 174 MET H . 6578 1 1362 . 1 1 130 130 MET CA C 13 57.2570 0.35 . 1 . . . . 174 MET CA . 6578 1 1363 . 1 1 130 130 MET CB C 13 28.7750 0.35 . 1 . . . . 174 MET CB . 6578 1 1364 . 1 1 130 130 MET CE C 13 16.4500 0.35 . 1 . . . . 174 MET CE . 6578 1 1365 . 1 1 130 130 MET N N 15 117.5600 0.5 . 1 . . . . 174 MET N . 6578 1 1366 . 1 1 131 131 ALA H H 1 8.5120 0.05 . 1 . . . . 175 ALA H . 6578 1 1367 . 1 1 131 131 ALA HA H 1 4.0360 0.05 . 1 . . . . 175 ALA HA . 6578 1 1368 . 1 1 131 131 ALA HB1 H 1 1.5810 0.05 . 1 . . . . 175 ALA HB . 6578 1 1369 . 1 1 131 131 ALA HB2 H 1 1.5810 0.05 . 1 . . . . 175 ALA HB . 6578 1 1370 . 1 1 131 131 ALA HB3 H 1 1.5810 0.05 . 1 . . . . 175 ALA HB . 6578 1 1371 . 1 1 131 131 ALA C C 13 179.1820 0.35 . 1 . . . . 175 ALA C . 6578 1 1372 . 1 1 131 131 ALA CA C 13 56.0460 0.35 . 1 . . . . 175 ALA CA . 6578 1 1373 . 1 1 131 131 ALA CB C 13 17.4230 0.35 . 1 . . . . 175 ALA CB . 6578 1 1374 . 1 1 131 131 ALA N N 15 121.2610 0.5 . 1 . . . . 175 ALA N . 6578 1 1375 . 1 1 132 132 THR H H 1 8.6560 0.05 . 1 . . . . 176 THR H . 6578 1 1376 . 1 1 132 132 THR HA H 1 4.0300 0.05 . 1 . . . . 176 THR HA . 6578 1 1377 . 1 1 132 132 THR HB H 1 4.3800 0.05 . 1 . . . . 176 THR HB . 6578 1 1378 . 1 1 132 132 THR HG21 H 1 1.3950 0.05 . 1 . . . . 176 THR HG2 . 6578 1 1379 . 1 1 132 132 THR HG22 H 1 1.3950 0.05 . 1 . . . . 176 THR HG2 . 6578 1 1380 . 1 1 132 132 THR HG23 H 1 1.3950 0.05 . 1 . . . . 176 THR HG2 . 6578 1 1381 . 1 1 132 132 THR C C 13 174.9540 0.35 . 1 . . . . 176 THR C . 6578 1 1382 . 1 1 132 132 THR CA C 13 66.5310 0.35 . 1 . . . . 176 THR CA . 6578 1 1383 . 1 1 132 132 THR CB C 13 68.9070 0.35 . 1 . . . . 176 THR CB . 6578 1 1384 . 1 1 132 132 THR CG2 C 13 21.8400 0.35 . 1 . . . . 176 THR CG2 . 6578 1 1385 . 1 1 132 132 THR N N 15 114.5810 0.5 . 1 . . . . 176 THR N . 6578 1 1386 . 1 1 133 133 TYR H H 1 8.1640 0.05 . 1 . . . . 177 TYR H . 6578 1 1387 . 1 1 133 133 TYR HA H 1 4.1330 0.05 . 1 . . . . 177 TYR HA . 6578 1 1388 . 1 1 133 133 TYR HB2 H 1 3.5210 0.05 . 2 . . . . 177 TYR HB2 . 6578 1 1389 . 1 1 133 133 TYR HB3 H 1 3.2600 0.05 . 2 . . . . 177 TYR HB3 . 6578 1 1390 . 1 1 133 133 TYR HD1 H 1 6.6500 0.05 . 1 . . . . 177 TYR HD1 . 6578 1 1391 . 1 1 133 133 TYR HD2 H 1 6.6500 0.05 . 1 . . . . 177 TYR HD2 . 6578 1 1392 . 1 1 133 133 TYR HE1 H 1 5.9900 0.05 . 1 . . . . 177 TYR HE1 . 6578 1 1393 . 1 1 133 133 TYR HE2 H 1 5.9900 0.05 . 1 . . . . 177 TYR HE2 . 6578 1 1394 . 1 1 133 133 TYR C C 13 178.9850 0.35 . 1 . . . . 177 TYR C . 6578 1 1395 . 1 1 133 133 TYR CA C 13 63.0500 0.35 . 1 . . . . 177 TYR CA . 6578 1 1396 . 1 1 133 133 TYR CB C 13 38.5850 0.35 . 1 . . . . 177 TYR CB . 6578 1 1397 . 1 1 133 133 TYR CD1 C 13 132.4000 0.35 . 1 . . . . 177 TYR CD1 . 6578 1 1398 . 1 1 133 133 TYR CD2 C 13 132.4000 0.35 . 1 . . . . 177 TYR CD2 . 6578 1 1399 . 1 1 133 133 TYR CE1 C 13 117.8400 0.35 . 1 . . . . 177 TYR CE1 . 6578 1 1400 . 1 1 133 133 TYR CE2 C 13 117.8400 0.35 . 1 . . . . 177 TYR CE2 . 6578 1 1401 . 1 1 133 133 TYR N N 15 122.5450 0.5 . 1 . . . . 177 TYR N . 6578 1 1402 . 1 1 134 134 LEU H H 1 8.7390 0.05 . 1 . . . . 178 LEU H . 6578 1 1403 . 1 1 134 134 LEU HA H 1 3.8520 0.05 . 1 . . . . 178 LEU HA . 6578 1 1404 . 1 1 134 134 LEU HB2 H 1 1.9800 0.05 . 2 . . . . 178 LEU HB2 . 6578 1 1405 . 1 1 134 134 LEU HB3 H 1 1.9100 0.05 . 2 . . . . 178 LEU HB3 . 6578 1 1406 . 1 1 134 134 LEU HG H 1 1.7800 0.05 . 1 . . . . 178 LEU HG . 6578 1 1407 . 1 1 134 134 LEU HD11 H 1 1.1900 0.05 . 2 . . . . 178 LEU HD1 . 6578 1 1408 . 1 1 134 134 LEU HD12 H 1 1.1900 0.05 . 2 . . . . 178 LEU HD1 . 6578 1 1409 . 1 1 134 134 LEU HD13 H 1 1.1900 0.05 . 2 . . . . 178 LEU HD1 . 6578 1 1410 . 1 1 134 134 LEU HD21 H 1 1.1500 0.05 . 2 . . . . 178 LEU HD2 . 6578 1 1411 . 1 1 134 134 LEU HD22 H 1 1.1500 0.05 . 2 . . . . 178 LEU HD2 . 6578 1 1412 . 1 1 134 134 LEU HD23 H 1 1.1500 0.05 . 2 . . . . 178 LEU HD2 . 6578 1 1413 . 1 1 134 134 LEU C C 13 176.9210 0.35 . 1 . . . . 178 LEU C . 6578 1 1414 . 1 1 134 134 LEU CA C 13 59.0510 0.35 . 1 . . . . 178 LEU CA . 6578 1 1415 . 1 1 134 134 LEU CB C 13 41.9370 0.35 . 1 . . . . 178 LEU CB . 6578 1 1416 . 1 1 134 134 LEU CG C 13 27.7800 0.35 . 1 . . . . 178 LEU CG . 6578 1 1417 . 1 1 134 134 LEU CD1 C 13 26.6900 0.35 . 1 . . . . 178 LEU CD1 . 6578 1 1418 . 1 1 134 134 LEU CD2 C 13 25.8900 0.35 . 1 . . . . 178 LEU CD2 . 6578 1 1419 . 1 1 134 134 LEU N N 15 118.9490 0.5 . 1 . . . . 178 LEU N . 6578 1 1420 . 1 1 135 135 ASN H H 1 8.3880 0.05 . 1 . . . . 179 ASN H . 6578 1 1421 . 1 1 135 135 ASN HA H 1 4.3400 0.05 . 1 . . . . 179 ASN HA . 6578 1 1422 . 1 1 135 135 ASN HB2 H 1 2.9800 0.05 . 2 . . . . 179 ASN HB2 . 6578 1 1423 . 1 1 135 135 ASN HB3 H 1 2.9000 0.05 . 2 . . . . 179 ASN HB3 . 6578 1 1424 . 1 1 135 135 ASN C C 13 176.1770 0.35 . 1 . . . . 179 ASN C . 6578 1 1425 . 1 1 135 135 ASN CA C 13 56.4120 0.35 . 1 . . . . 179 ASN CA . 6578 1 1426 . 1 1 135 135 ASN CB C 13 39.2060 0.35 . 1 . . . . 179 ASN CB . 6578 1 1427 . 1 1 135 135 ASN N N 15 116.2510 0.5 . 1 . . . . 179 ASN N . 6578 1 1428 . 1 1 136 136 ASP H H 1 8.4980 0.05 . 1 . . . . 180 ASP H . 6578 1 1429 . 1 1 136 136 ASP HA H 1 4.3470 0.05 . 1 . . . . 180 ASP HA . 6578 1 1430 . 1 1 136 136 ASP HB2 H 1 2.3900 0.05 . 2 . . . . 180 ASP HB2 . 6578 1 1431 . 1 1 136 136 ASP HB3 H 1 1.9400 0.05 . 2 . . . . 180 ASP HB3 . 6578 1 1432 . 1 1 136 136 ASP C C 13 177.3680 0.35 . 1 . . . . 180 ASP C . 6578 1 1433 . 1 1 136 136 ASP CA C 13 55.7770 0.35 . 1 . . . . 180 ASP CA . 6578 1 1434 . 1 1 136 136 ASP CB C 13 40.0460 0.35 . 1 . . . . 180 ASP CB . 6578 1 1435 . 1 1 136 136 ASP N N 15 114.7100 0.5 . 1 . . . . 180 ASP N . 6578 1 1436 . 1 1 137 137 HIS H H 1 7.9100 0.05 . 1 . . . . 181 HIS H . 6578 1 1437 . 1 1 137 137 HIS HA H 1 4.5500 0.05 . 1 . . . . 181 HIS HA . 6578 1 1438 . 1 1 137 137 HIS C C 13 175.7610 0.35 . 1 . . . . 181 HIS C . 6578 1 1439 . 1 1 137 137 HIS CA C 13 56.0900 0.35 . 1 . . . . 181 HIS CA . 6578 1 1440 . 1 1 137 137 HIS CB C 13 30.5100 0.35 . 1 . . . . 181 HIS CB . 6578 1 1441 . 1 1 137 137 HIS N N 15 113.1600 0.5 . 1 . . . . 181 HIS N . 6578 1 1442 . 1 1 138 138 LEU H H 1 7.1800 0.05 . 1 . . . . 182 LEU H . 6578 1 1443 . 1 1 138 138 LEU HA H 1 4.4150 0.05 . 1 . . . . 182 LEU HA . 6578 1 1444 . 1 1 138 138 LEU HB2 H 1 2.0700 0.05 . 2 . . . . 182 LEU HB2 . 6578 1 1445 . 1 1 138 138 LEU HB3 H 1 1.0300 0.05 . 2 . . . . 182 LEU HB3 . 6578 1 1446 . 1 1 138 138 LEU HG H 1 1.1320 0.05 . 1 . . . . 182 LEU HG . 6578 1 1447 . 1 1 138 138 LEU HD11 H 1 0.1150 0.05 . 2 . . . . 182 LEU HD1 . 6578 1 1448 . 1 1 138 138 LEU HD12 H 1 0.1150 0.05 . 2 . . . . 182 LEU HD1 . 6578 1 1449 . 1 1 138 138 LEU HD13 H 1 0.1150 0.05 . 2 . . . . 182 LEU HD1 . 6578 1 1450 . 1 1 138 138 LEU HD21 H 1 -0.3310 0.05 . 2 . . . . 182 LEU HD2 . 6578 1 1451 . 1 1 138 138 LEU HD22 H 1 -0.3310 0.05 . 2 . . . . 182 LEU HD2 . 6578 1 1452 . 1 1 138 138 LEU HD23 H 1 -0.3310 0.05 . 2 . . . . 182 LEU HD2 . 6578 1 1453 . 1 1 138 138 LEU C C 13 176.8650 0.35 . 1 . . . . 182 LEU C . 6578 1 1454 . 1 1 138 138 LEU CA C 13 55.4800 0.35 . 1 . . . . 182 LEU CA . 6578 1 1455 . 1 1 138 138 LEU CB C 13 42.1000 0.35 . 1 . . . . 182 LEU CB . 6578 1 1456 . 1 1 138 138 LEU CG C 13 26.1200 0.35 . 1 . . . . 182 LEU CG . 6578 1 1457 . 1 1 138 138 LEU CD1 C 13 24.3300 0.35 . 1 . . . . 182 LEU CD1 . 6578 1 1458 . 1 1 138 138 LEU CD2 C 13 22.0280 0.35 . 1 . . . . 182 LEU CD2 . 6578 1 1459 . 1 1 138 138 LEU N N 15 117.4000 0.5 . 1 . . . . 182 LEU N . 6578 1 1460 . 1 1 139 139 GLU H H 1 8.6800 0.05 . 1 . . . . 183 GLU H . 6578 1 1461 . 1 1 139 139 GLU HA H 1 4.2330 0.05 . 1 . . . . 183 GLU HA . 6578 1 1462 . 1 1 139 139 GLU HB2 H 1 2.2600 0.05 . 1 . . . . 183 GLU HB2 . 6578 1 1463 . 1 1 139 139 GLU HB3 H 1 2.2600 0.05 . 1 . . . . 183 GLU HB3 . 6578 1 1464 . 1 1 139 139 GLU CA C 13 60.2600 0.35 . 1 . . . . 183 GLU CA . 6578 1 1465 . 1 1 139 139 GLU CB C 13 26.6900 0.35 . 1 . . . . 183 GLU CB . 6578 1 1466 . 1 1 139 139 GLU N N 15 121.2600 0.5 . 1 . . . . 183 GLU N . 6578 1 1467 . 1 1 140 140 PRO HA H 1 4.1800 0.05 . 1 . . . . 184 PRO HA . 6578 1 1468 . 1 1 140 140 PRO HB2 H 1 2.2300 0.05 . 2 . . . . 184 PRO HB2 . 6578 1 1469 . 1 1 140 140 PRO HB3 H 1 1.6900 0.05 . 2 . . . . 184 PRO HB3 . 6578 1 1470 . 1 1 140 140 PRO HG2 H 1 1.8500 0.05 . 1 . . . . 184 PRO HG2 . 6578 1 1471 . 1 1 140 140 PRO HG3 H 1 1.8500 0.05 . 1 . . . . 184 PRO HG3 . 6578 1 1472 . 1 1 140 140 PRO HD2 H 1 3.1000 0.05 . 2 . . . . 184 PRO HD2 . 6578 1 1473 . 1 1 140 140 PRO HD3 H 1 3.5100 0.05 . 2 . . . . 184 PRO HD3 . 6578 1 1474 . 1 1 140 140 PRO C C 13 179.1860 0.35 . 1 . . . . 184 PRO C . 6578 1 1475 . 1 1 140 140 PRO CA C 13 65.8310 0.35 . 1 . . . . 184 PRO CA . 6578 1 1476 . 1 1 140 140 PRO CB C 13 29.9330 0.35 . 1 . . . . 184 PRO CB . 6578 1 1477 . 1 1 140 140 PRO CG C 13 28.3160 0.35 . 1 . . . . 184 PRO CG . 6578 1 1478 . 1 1 140 140 PRO CD C 13 49.6100 0.35 . 1 . . . . 184 PRO CD . 6578 1 1479 . 1 1 141 141 TRP H H 1 7.0630 0.05 . 1 . . . . 185 TRP H . 6578 1 1480 . 1 1 141 141 TRP HA H 1 3.8450 0.05 . 1 . . . . 185 TRP HA . 6578 1 1481 . 1 1 141 141 TRP HB2 H 1 3.1080 0.05 . 2 . . . . 185 TRP HB2 . 6578 1 1482 . 1 1 141 141 TRP HD1 H 1 7.0300 0.05 . 1 . . . . 185 TRP HD1 . 6578 1 1483 . 1 1 141 141 TRP HZ2 H 1 6.9500 0.05 . 1 . . . . 185 TRP HZ2 . 6578 1 1484 . 1 1 141 141 TRP HH2 H 1 5.3000 0.05 . 1 . . . . 185 TRP HH2 . 6578 1 1485 . 1 1 141 141 TRP C C 13 179.2870 0.35 . 1 . . . . 185 TRP C . 6578 1 1486 . 1 1 141 141 TRP CA C 13 61.4530 0.35 . 1 . . . . 185 TRP CA . 6578 1 1487 . 1 1 141 141 TRP CB C 13 28.4490 0.35 . 1 . . . . 185 TRP CB . 6578 1 1488 . 1 1 141 141 TRP CD1 C 13 126.2000 0.35 . 1 . . . . 185 TRP CD1 . 6578 1 1489 . 1 1 141 141 TRP CZ2 C 13 114.3000 0.35 . 1 . . . . 185 TRP CZ2 . 6578 1 1490 . 1 1 141 141 TRP CH2 C 13 122.4400 0.35 . 1 . . . . 185 TRP CH2 . 6578 1 1491 . 1 1 141 141 TRP N N 15 117.5360 0.5 . 1 . . . . 185 TRP N . 6578 1 1492 . 1 1 142 142 ILE H H 1 8.4320 0.05 . 1 . . . . 186 ILE H . 6578 1 1493 . 1 1 142 142 ILE HA H 1 2.8580 0.05 . 1 . . . . 186 ILE HA . 6578 1 1494 . 1 1 142 142 ILE HB H 1 1.8420 0.05 . 1 . . . . 186 ILE HB . 6578 1 1495 . 1 1 142 142 ILE HG12 H 1 0.4400 0.05 . 1 . . . . 186 ILE HG12 . 6578 1 1496 . 1 1 142 142 ILE HG13 H 1 1.5400 0.05 . 2 . . . . 186 ILE HG13 . 6578 1 1497 . 1 1 142 142 ILE HG21 H 1 0.3530 0.05 . 1 . . . . 186 ILE HG2 . 6578 1 1498 . 1 1 142 142 ILE HG22 H 1 0.3530 0.05 . 1 . . . . 186 ILE HG2 . 6578 1 1499 . 1 1 142 142 ILE HG23 H 1 0.3530 0.05 . 1 . . . . 186 ILE HG2 . 6578 1 1500 . 1 1 142 142 ILE HD11 H 1 0.4700 0.05 . 1 . . . . 186 ILE HD1 . 6578 1 1501 . 1 1 142 142 ILE HD12 H 1 0.4700 0.05 . 1 . . . . 186 ILE HD1 . 6578 1 1502 . 1 1 142 142 ILE HD13 H 1 0.4700 0.05 . 1 . . . . 186 ILE HD1 . 6578 1 1503 . 1 1 142 142 ILE C C 13 178.9860 0.35 . 1 . . . . 186 ILE C . 6578 1 1504 . 1 1 142 142 ILE CA C 13 66.0220 0.35 . 1 . . . . 186 ILE CA . 6578 1 1505 . 1 1 142 142 ILE CB C 13 38.1420 0.35 . 1 . . . . 186 ILE CB . 6578 1 1506 . 1 1 142 142 ILE CG1 C 13 28.8500 0.35 . 1 . . . . 186 ILE CG1 . 6578 1 1507 . 1 1 142 142 ILE CG2 C 13 15.8890 0.35 . 1 . . . . 186 ILE CG2 . 6578 1 1508 . 1 1 142 142 ILE CD1 C 13 13.5870 0.35 . 1 . . . . 186 ILE CD1 . 6578 1 1509 . 1 1 142 142 ILE N N 15 122.5450 0.5 . 1 . . . . 186 ILE N . 6578 1 1510 . 1 1 143 143 GLN H H 1 8.5440 0.05 . 1 . . . . 187 GLN H . 6578 1 1511 . 1 1 143 143 GLN HA H 1 4.1220 0.05 . 1 . . . . 187 GLN HA . 6578 1 1512 . 1 1 143 143 GLN HB2 H 1 2.0800 0.05 . 1 . . . . 187 GLN HB2 . 6578 1 1513 . 1 1 143 143 GLN HB3 H 1 2.0800 0.05 . 1 . . . . 187 GLN HB3 . 6578 1 1514 . 1 1 143 143 GLN C C 13 179.2440 0.35 . 1 . . . . 187 GLN C . 6578 1 1515 . 1 1 143 143 GLN CA C 13 57.9530 0.35 . 1 . . . . 187 GLN CA . 6578 1 1516 . 1 1 143 143 GLN CB C 13 27.3750 0.35 . 1 . . . . 187 GLN CB . 6578 1 1517 . 1 1 143 143 GLN N N 15 116.5080 0.5 . 1 . . . . 187 GLN N . 6578 1 1518 . 1 1 144 144 GLU H H 1 7.4930 0.05 . 1 . . . . 188 GLU H . 6578 1 1519 . 1 1 144 144 GLU HA H 1 4.1110 0.05 . 1 . . . . 188 GLU HA . 6578 1 1520 . 1 1 144 144 GLU HB2 H 1 1.8700 0.05 . 1 . . . . 188 GLU HB2 . 6578 1 1521 . 1 1 144 144 GLU HB3 H 1 1.8700 0.05 . 1 . . . . 188 GLU HB3 . 6578 1 1522 . 1 1 144 144 GLU HG2 H 1 2.1400 0.05 . 1 . . . . 188 GLU HG2 . 6578 1 1523 . 1 1 144 144 GLU HG3 H 1 2.1400 0.05 . 1 . . . . 188 GLU HG3 . 6578 1 1524 . 1 1 144 144 GLU C C 13 176.6560 0.35 . 1 . . . . 188 GLU C . 6578 1 1525 . 1 1 144 144 GLU CA C 13 57.1460 0.35 . 1 . . . . 188 GLU CA . 6578 1 1526 . 1 1 144 144 GLU CB C 13 29.0800 0.35 . 1 . . . . 188 GLU CB . 6578 1 1527 . 1 1 144 144 GLU N N 15 118.8200 0.5 . 1 . . . . 188 GLU N . 6578 1 1528 . 1 1 145 145 ASN H H 1 7.1550 0.05 . 1 . . . . 189 ASN H . 6578 1 1529 . 1 1 145 145 ASN HA H 1 4.5400 0.05 . 1 . . . . 189 ASN HA . 6578 1 1530 . 1 1 145 145 ASN HB2 H 1 2.8340 0.05 . 2 . . . . 189 ASN HB2 . 6578 1 1531 . 1 1 145 145 ASN HB3 H 1 2.6100 0.05 . 2 . . . . 189 ASN HB3 . 6578 1 1532 . 1 1 145 145 ASN C C 13 173.8050 0.35 . 1 . . . . 189 ASN C . 6578 1 1533 . 1 1 145 145 ASN CA C 13 53.1640 0.35 . 1 . . . . 189 ASN CA . 6578 1 1534 . 1 1 145 145 ASN CB C 13 38.3800 0.35 . 1 . . . . 189 ASN CB . 6578 1 1535 . 1 1 145 145 ASN N N 15 116.8940 0.5 . 1 . . . . 189 ASN N . 6578 1 1536 . 1 1 146 146 GLY H H 1 7.4800 0.05 . 1 . . . . 190 GLY H . 6578 1 1537 . 1 1 146 146 GLY HA2 H 1 4.4830 0.05 . 2 . . . . 190 GLY HA2 . 6578 1 1538 . 1 1 146 146 GLY HA3 H 1 3.6920 0.05 . 2 . . . . 190 GLY HA3 . 6578 1 1539 . 1 1 146 146 GLY C C 13 175.8230 0.35 . 1 . . . . 190 GLY C . 6578 1 1540 . 1 1 146 146 GLY CA C 13 45.0810 0.35 . 1 . . . . 190 GLY CA . 6578 1 1541 . 1 1 146 146 GLY N N 15 104.9480 0.5 . 1 . . . . 190 GLY N . 6578 1 1542 . 1 1 147 147 GLY H H 1 8.5440 0.05 . 1 . . . . 191 GLY H . 6578 1 1543 . 1 1 147 147 GLY HA2 H 1 3.9300 0.05 . 1 . . . . 191 GLY HA2 . 6578 1 1544 . 1 1 147 147 GLY HA3 H 1 3.9300 0.05 . 1 . . . . 191 GLY HA3 . 6578 1 1545 . 1 1 147 147 GLY C C 13 173.3370 0.35 . 1 . . . . 191 GLY C . 6578 1 1546 . 1 1 147 147 GLY CA C 13 43.9690 0.35 . 1 . . . . 191 GLY CA . 6578 1 1547 . 1 1 147 147 GLY N N 15 108.5440 0.5 . 1 . . . . 191 GLY N . 6578 1 1548 . 1 1 148 148 TRP H H 1 8.7400 0.05 . 1 . . . . 192 TRP H . 6578 1 1549 . 1 1 148 148 TRP HA H 1 4.4100 0.05 . 1 . . . . 192 TRP HA . 6578 1 1550 . 1 1 148 148 TRP HB2 H 1 3.4900 0.05 . 2 . . . . 192 TRP HB2 . 6578 1 1551 . 1 1 148 148 TRP HB3 H 1 3.1100 0.05 . 2 . . . . 192 TRP HB3 . 6578 1 1552 . 1 1 148 148 TRP HD1 H 1 7.4300 0.05 . 1 . . . . 192 TRP HD1 . 6578 1 1553 . 1 1 148 148 TRP HE3 H 1 7.2400 0.05 . 1 . . . . 192 TRP HE3 . 6578 1 1554 . 1 1 148 148 TRP HZ3 H 1 6.6500 0.05 . 1 . . . . 192 TRP HZ3 . 6578 1 1555 . 1 1 148 148 TRP C C 13 178.6640 0.35 . 1 . . . . 192 TRP C . 6578 1 1556 . 1 1 148 148 TRP CA C 13 60.1740 0.35 . 1 . . . . 192 TRP CA . 6578 1 1557 . 1 1 148 148 TRP CB C 13 29.7280 0.35 . 1 . . . . 192 TRP CB . 6578 1 1558 . 1 1 148 148 TRP CD1 C 13 127.0000 0.35 . 1 . . . . 192 TRP CD1 . 6578 1 1559 . 1 1 148 148 TRP CE3 C 13 119.8000 0.35 . 1 . . . . 192 TRP CE3 . 6578 1 1560 . 1 1 148 148 TRP CZ3 C 13 121.3400 0.35 . 1 . . . . 192 TRP CZ3 . 6578 1 1561 . 1 1 148 148 TRP N N 15 118.1780 0.5 . 1 . . . . 192 TRP N . 6578 1 1562 . 1 1 149 149 ASP H H 1 8.8860 0.05 . 1 . . . . 193 ASP H . 6578 1 1563 . 1 1 149 149 ASP HA H 1 4.4280 0.05 . 1 . . . . 193 ASP HA . 6578 1 1564 . 1 1 149 149 ASP C C 13 179.3980 0.35 . 1 . . . . 193 ASP C . 6578 1 1565 . 1 1 149 149 ASP CA C 13 57.2460 0.35 . 1 . . . . 193 ASP CA . 6578 1 1566 . 1 1 149 149 ASP CB C 13 39.9790 0.35 . 1 . . . . 193 ASP CB . 6578 1 1567 . 1 1 149 149 ASP N N 15 117.5360 0.5 . 1 . . . . 193 ASP N . 6578 1 1568 . 1 1 150 150 THR H H 1 7.6090 0.05 . 1 . . . . 194 THR H . 6578 1 1569 . 1 1 150 150 THR HA H 1 3.9410 0.05 . 1 . . . . 194 THR HA . 6578 1 1570 . 1 1 150 150 THR HB H 1 4.4020 0.05 . 1 . . . . 194 THR HB . 6578 1 1571 . 1 1 150 150 THR HG21 H 1 1.3990 0.05 . 1 . . . . 194 THR HG2 . 6578 1 1572 . 1 1 150 150 THR HG22 H 1 1.3990 0.05 . 1 . . . . 194 THR HG2 . 6578 1 1573 . 1 1 150 150 THR HG23 H 1 1.3990 0.05 . 1 . . . . 194 THR HG2 . 6578 1 1574 . 1 1 150 150 THR C C 13 175.1000 0.35 . 1 . . . . 194 THR C . 6578 1 1575 . 1 1 150 150 THR CA C 13 66.0220 0.35 . 1 . . . . 194 THR CA . 6578 1 1576 . 1 1 150 150 THR CB C 13 68.0680 0.35 . 1 . . . . 194 THR CB . 6578 1 1577 . 1 1 150 150 THR CG2 C 13 22.0280 0.35 . 1 . . . . 194 THR CG2 . 6578 1 1578 . 1 1 150 150 THR N N 15 116.5080 0.5 . 1 . . . . 194 THR N . 6578 1 1579 . 1 1 151 151 PHE H H 1 6.6370 0.05 . 1 . . . . 195 PHE H . 6578 1 1580 . 1 1 151 151 PHE HA H 1 4.3230 0.05 . 1 . . . . 195 PHE HA . 6578 1 1581 . 1 1 151 151 PHE HB2 H 1 3.1300 0.05 . 2 . . . . 195 PHE HB2 . 6578 1 1582 . 1 1 151 151 PHE HB3 H 1 1.3200 0.05 . 2 . . . . 195 PHE HB3 . 6578 1 1583 . 1 1 151 151 PHE HD1 H 1 6.8500 0.05 . 1 . . . . 195 PHE HD1 . 6578 1 1584 . 1 1 151 151 PHE HD2 H 1 6.8500 0.05 . 1 . . . . 195 PHE HD2 . 6578 1 1585 . 1 1 151 151 PHE HE1 H 1 6.7700 0.05 . 1 . . . . 195 PHE HE1 . 6578 1 1586 . 1 1 151 151 PHE HE2 H 1 6.7700 0.05 . 1 . . . . 195 PHE HE2 . 6578 1 1587 . 1 1 151 151 PHE HZ H 1 6.8600 0.05 . 1 . . . . 195 PHE HZ . 6578 1 1588 . 1 1 151 151 PHE C C 13 176.3660 0.35 . 1 . . . . 195 PHE C . 6578 1 1589 . 1 1 151 151 PHE CA C 13 61.1060 0.35 . 1 . . . . 195 PHE CA . 6578 1 1590 . 1 1 151 151 PHE CB C 13 37.4670 0.35 . 1 . . . . 195 PHE CB . 6578 1 1591 . 1 1 151 151 PHE CD1 C 13 131.9000 0.35 . 1 . . . . 195 PHE CD1 . 6578 1 1592 . 1 1 151 151 PHE CD2 C 13 131.9000 0.35 . 1 . . . . 195 PHE CD2 . 6578 1 1593 . 1 1 151 151 PHE CZ C 13 128.9000 0.35 . 1 . . . . 195 PHE CZ . 6578 1 1594 . 1 1 151 151 PHE N N 15 122.1600 0.5 . 1 . . . . 195 PHE N . 6578 1 1595 . 1 1 152 152 VAL H H 1 7.8630 0.05 . 1 . . . . 196 VAL H . 6578 1 1596 . 1 1 152 152 VAL HA H 1 3.0290 0.05 . 1 . . . . 196 VAL HA . 6578 1 1597 . 1 1 152 152 VAL HB H 1 2.1770 0.05 . 1 . . . . 196 VAL HB . 6578 1 1598 . 1 1 152 152 VAL HG11 H 1 1.1140 0.05 . 2 . . . . 196 VAL HG1 . 6578 1 1599 . 1 1 152 152 VAL HG12 H 1 1.1140 0.05 . 2 . . . . 196 VAL HG1 . 6578 1 1600 . 1 1 152 152 VAL HG13 H 1 1.1140 0.05 . 2 . . . . 196 VAL HG1 . 6578 1 1601 . 1 1 152 152 VAL HG21 H 1 0.8580 0.05 . 2 . . . . 196 VAL HG2 . 6578 1 1602 . 1 1 152 152 VAL HG22 H 1 0.8580 0.05 . 2 . . . . 196 VAL HG2 . 6578 1 1603 . 1 1 152 152 VAL HG23 H 1 0.8580 0.05 . 2 . . . . 196 VAL HG2 . 6578 1 1604 . 1 1 152 152 VAL C C 13 178.4150 0.35 . 1 . . . . 196 VAL C . 6578 1 1605 . 1 1 152 152 VAL CA C 13 66.5330 0.35 . 1 . . . . 196 VAL CA . 6578 1 1606 . 1 1 152 152 VAL CB C 13 31.7470 0.35 . 1 . . . . 196 VAL CB . 6578 1 1607 . 1 1 152 152 VAL CG1 C 13 24.0740 0.35 . 1 . . . . 196 VAL CG1 . 6578 1 1608 . 1 1 152 152 VAL CG2 C 13 21.5160 0.35 . 1 . . . . 196 VAL CG2 . 6578 1 1609 . 1 1 152 152 VAL N N 15 117.4070 0.5 . 1 . . . . 196 VAL N . 6578 1 1610 . 1 1 153 153 GLU H H 1 7.5320 0.05 . 1 . . . . 197 GLU H . 6578 1 1611 . 1 1 153 153 GLU HA H 1 3.8740 0.05 . 1 . . . . 197 GLU HA . 6578 1 1612 . 1 1 153 153 GLU HB2 H 1 2.2000 0.05 . 2 . . . . 197 GLU HB2 . 6578 1 1613 . 1 1 153 153 GLU HB3 H 1 2.0900 0.05 . 2 . . . . 197 GLU HB3 . 6578 1 1614 . 1 1 153 153 GLU C C 13 178.0530 0.35 . 1 . . . . 197 GLU C . 6578 1 1615 . 1 1 153 153 GLU CA C 13 58.6020 0.35 . 1 . . . . 197 GLU CA . 6578 1 1616 . 1 1 153 153 GLU CB C 13 29.0410 0.35 . 1 . . . . 197 GLU CB . 6578 1 1617 . 1 1 153 153 GLU N N 15 119.4630 0.5 . 1 . . . . 197 GLU N . 6578 1 1618 . 1 1 154 154 LEU H H 1 7.6400 0.05 . 1 . . . . 198 LEU H . 6578 1 1619 . 1 1 154 154 LEU HA H 1 3.9040 0.05 . 1 . . . . 198 LEU HA . 6578 1 1620 . 1 1 154 154 LEU HB2 H 1 1.3210 0.05 . 2 . . . . 198 LEU HB2 . 6578 1 1621 . 1 1 154 154 LEU HB3 H 1 0.7510 0.05 . 2 . . . . 198 LEU HB3 . 6578 1 1622 . 1 1 154 154 LEU HD11 H 1 0.7760 0.05 . 2 . . . . 198 LEU HD1 . 6578 1 1623 . 1 1 154 154 LEU HD12 H 1 0.7760 0.05 . 2 . . . . 198 LEU HD1 . 6578 1 1624 . 1 1 154 154 LEU HD13 H 1 0.7760 0.05 . 2 . . . . 198 LEU HD1 . 6578 1 1625 . 1 1 154 154 LEU HD21 H 1 0.7260 0.05 . 2 . . . . 198 LEU HD2 . 6578 1 1626 . 1 1 154 154 LEU HD22 H 1 0.7260 0.05 . 2 . . . . 198 LEU HD2 . 6578 1 1627 . 1 1 154 154 LEU HD23 H 1 0.7260 0.05 . 2 . . . . 198 LEU HD2 . 6578 1 1628 . 1 1 154 154 LEU C C 13 178.1600 0.35 . 1 . . . . 198 LEU C . 6578 1 1629 . 1 1 154 154 LEU CA C 13 56.8140 0.35 . 1 . . . . 198 LEU CA . 6578 1 1630 . 1 1 154 154 LEU CB C 13 43.2570 0.35 . 1 . . . . 198 LEU CB . 6578 1 1631 . 1 1 154 154 LEU CD1 C 13 25.3530 0.35 . 1 . . . . 198 LEU CD1 . 6578 1 1632 . 1 1 154 154 LEU CD2 C 13 23.0510 0.35 . 1 . . . . 198 LEU CD2 . 6578 1 1633 . 1 1 154 154 LEU N N 15 117.6640 0.5 . 1 . . . . 198 LEU N . 6578 1 1634 . 1 1 155 155 TYR H H 1 8.0280 0.05 . 1 . . . . 199 TYR H . 6578 1 1635 . 1 1 155 155 TYR HA H 1 3.9900 0.05 . 1 . . . . 199 TYR HA . 6578 1 1636 . 1 1 155 155 TYR HB2 H 1 2.4800 0.05 . 2 . . . . 199 TYR HB2 . 6578 1 1637 . 1 1 155 155 TYR HB3 H 1 1.5600 0.05 . 2 . . . . 199 TYR HB3 . 6578 1 1638 . 1 1 155 155 TYR HD1 H 1 6.3000 0.05 . 1 . . . . 199 TYR HD1 . 6578 1 1639 . 1 1 155 155 TYR HD2 H 1 6.3000 0.05 . 1 . . . . 199 TYR HD2 . 6578 1 1640 . 1 1 155 155 TYR HE1 H 1 6.5300 0.05 . 1 . . . . 199 TYR HE1 . 6578 1 1641 . 1 1 155 155 TYR HE2 H 1 6.5300 0.05 . 1 . . . . 199 TYR HE2 . 6578 1 1642 . 1 1 155 155 TYR C C 13 176.7000 0.35 . 1 . . . . 199 TYR C . 6578 1 1643 . 1 1 155 155 TYR CA C 13 58.7910 0.35 . 1 . . . . 199 TYR CA . 6578 1 1644 . 1 1 155 155 TYR CB C 13 38.5610 0.35 . 1 . . . . 199 TYR CB . 6578 1 1645 . 1 1 155 155 TYR CD1 C 13 132.9400 0.35 . 1 . . . . 199 TYR CD1 . 6578 1 1646 . 1 1 155 155 TYR CD2 C 13 132.9400 0.35 . 1 . . . . 199 TYR CD2 . 6578 1 1647 . 1 1 155 155 TYR CE1 C 13 117.3000 0.35 . 1 . . . . 199 TYR CE1 . 6578 1 1648 . 1 1 155 155 TYR CE2 C 13 117.3000 0.35 . 1 . . . . 199 TYR CE2 . 6578 1 1649 . 1 1 155 155 TYR N N 15 114.1960 0.5 . 1 . . . . 199 TYR N . 6578 1 1650 . 1 1 156 156 GLY H H 1 7.8560 0.05 . 1 . . . . 200 GLY H . 6578 1 1651 . 1 1 156 156 GLY HA2 H 1 4.0500 0.05 . 2 . . . . 200 GLY HA2 . 6578 1 1652 . 1 1 156 156 GLY HA3 H 1 3.7500 0.05 . 2 . . . . 200 GLY HA3 . 6578 1 1653 . 1 1 156 156 GLY C C 13 173.9010 0.35 . 1 . . . . 200 GLY C . 6578 1 1654 . 1 1 156 156 GLY CA C 13 44.7570 0.35 . 1 . . . . 200 GLY CA . 6578 1 1655 . 1 1 156 156 GLY N N 15 106.8740 0.5 . 1 . . . . 200 GLY N . 6578 1 1656 . 1 1 157 157 ASN H H 1 8.5900 0.05 . 1 . . . . 201 ASN H . 6578 1 1657 . 1 1 157 157 ASN HA H 1 4.5950 0.05 . 1 . . . . 201 ASN HA . 6578 1 1658 . 1 1 157 157 ASN HB2 H 1 2.8300 0.05 . 2 . . . . 201 ASN HB2 . 6578 1 1659 . 1 1 157 157 ASN HB3 H 1 2.6900 0.05 . 2 . . . . 201 ASN HB3 . 6578 1 1660 . 1 1 157 157 ASN C C 13 175.5200 0.35 . 1 . . . . 201 ASN C . 6578 1 1661 . 1 1 157 157 ASN CA C 13 53.2300 0.35 . 1 . . . . 201 ASN CA . 6578 1 1662 . 1 1 157 157 ASN CB C 13 38.0500 0.35 . 1 . . . . 201 ASN CB . 6578 1 1663 . 1 1 157 157 ASN N N 15 117.9200 0.5 . 1 . . . . 201 ASN N . 6578 1 1664 . 1 1 158 158 ASN H H 1 8.5400 0.05 . 1 . . . . 202 ASN H . 6578 1 1665 . 1 1 158 158 ASN HA H 1 4.5920 0.05 . 1 . . . . 202 ASN HA . 6578 1 1666 . 1 1 158 158 ASN HB2 H 1 2.8300 0.05 . 2 . . . . 202 ASN HB2 . 6578 1 1667 . 1 1 158 158 ASN HB3 H 1 2.6900 0.05 . 2 . . . . 202 ASN HB3 . 6578 1 1668 . 1 1 158 158 ASN C C 13 175.5630 0.35 . 1 . . . . 202 ASN C . 6578 1 1669 . 1 1 158 158 ASN CA C 13 53.3700 0.35 . 1 . . . . 202 ASN CA . 6578 1 1670 . 1 1 158 158 ASN CB C 13 38.4500 0.35 . 1 . . . . 202 ASN CB . 6578 1 1671 . 1 1 158 158 ASN N N 15 118.5600 0.5 . 1 . . . . 202 ASN N . 6578 1 1672 . 1 1 159 159 ALA H H 1 8.0300 0.05 . 1 . . . . 203 ALA H . 6578 1 1673 . 1 1 159 159 ALA HA H 1 4.1170 0.05 . 1 . . . . 203 ALA HA . 6578 1 1674 . 1 1 159 159 ALA HB1 H 1 1.3960 0.05 . 1 . . . . 203 ALA HB . 6578 1 1675 . 1 1 159 159 ALA HB2 H 1 1.3960 0.05 . 1 . . . . 203 ALA HB . 6578 1 1676 . 1 1 159 159 ALA HB3 H 1 1.3960 0.05 . 1 . . . . 203 ALA HB . 6578 1 1677 . 1 1 159 159 ALA C C 13 178.7220 0.35 . 1 . . . . 203 ALA C . 6578 1 1678 . 1 1 159 159 ALA CA C 13 53.4700 0.35 . 1 . . . . 203 ALA CA . 6578 1 1679 . 1 1 159 159 ALA CB C 13 18.4500 0.35 . 1 . . . . 203 ALA CB . 6578 1 1680 . 1 1 159 159 ALA N N 15 122.9300 0.5 . 1 . . . . 203 ALA N . 6578 1 1681 . 1 1 160 160 ALA H H 1 8.3000 0.05 . 1 . . . . 204 ALA H . 6578 1 1682 . 1 1 160 160 ALA C C 13 178.4650 0.35 . 1 . . . . 204 ALA C . 6578 1 1683 . 1 1 160 160 ALA CA C 13 53.4700 0.35 . 1 . . . . 204 ALA CA . 6578 1 1684 . 1 1 160 160 ALA CB C 13 18.2100 0.35 . 1 . . . . 204 ALA CB . 6578 1 1685 . 1 1 160 160 ALA N N 15 121.2600 0.5 . 1 . . . . 204 ALA N . 6578 1 1686 . 1 1 161 161 ALA H H 1 7.9300 0.05 . 1 . . . . 205 ALA H . 6578 1 1687 . 1 1 161 161 ALA C C 13 179.1300 0.35 . 1 . . . . 205 ALA C . 6578 1 1688 . 1 1 161 161 ALA CA C 13 53.2370 0.35 . 1 . . . . 205 ALA CA . 6578 1 1689 . 1 1 161 161 ALA CB C 13 18.4590 0.35 . 1 . . . . 205 ALA CB . 6578 1 1690 . 1 1 161 161 ALA N N 15 121.9000 0.5 . 1 . . . . 205 ALA N . 6578 1 1691 . 1 1 162 162 GLU H H 1 8.2630 0.05 . 1 . . . . 206 GLU H . 6578 1 1692 . 1 1 162 162 GLU HA H 1 4.1640 0.05 . 1 . . . . 206 GLU HA . 6578 1 1693 . 1 1 162 162 GLU HB2 H 1 2.0200 0.05 . 1 . . . . 206 GLU HB2 . 6578 1 1694 . 1 1 162 162 GLU HB3 H 1 2.0200 0.05 . 1 . . . . 206 GLU HB3 . 6578 1 1695 . 1 1 162 162 GLU HG2 H 1 2.3000 0.05 . 1 . . . . 206 GLU HG2 . 6578 1 1696 . 1 1 162 162 GLU HG3 H 1 2.3000 0.05 . 1 . . . . 206 GLU HG3 . 6578 1 1697 . 1 1 162 162 GLU CA C 13 57.3120 0.35 . 1 . . . . 206 GLU CA . 6578 1 1698 . 1 1 162 162 GLU CB C 13 29.1310 0.35 . 1 . . . . 206 GLU CB . 6578 1 1699 . 1 1 162 162 GLU N N 15 118.3060 0.5 . 1 . . . . 206 GLU N . 6578 1 1700 . 1 1 163 163 SER H H 1 8.0940 0.05 . 1 . . . . 207 SER H . 6578 1 1701 . 1 1 163 163 SER HA H 1 4.5090 0.05 . 1 . . . . 207 SER HA . 6578 1 1702 . 1 1 163 163 SER HB2 H 1 3.9520 0.05 . 2 . . . . 207 SER HB2 . 6578 1 1703 . 1 1 163 163 SER C C 13 175.4150 0.35 . 1 . . . . 207 SER C . 6578 1 1704 . 1 1 163 163 SER CA C 13 59.0200 0.35 . 1 . . . . 207 SER CA . 6578 1 1705 . 1 1 163 163 SER CB C 13 63.3290 0.35 . 1 . . . . 207 SER CB . 6578 1 1706 . 1 1 163 163 SER N N 15 114.9670 0.5 . 1 . . . . 207 SER N . 6578 1 1707 . 1 1 164 164 ARG H H 1 7.8940 0.05 . 1 . . . . 208 ARG H . 6578 1 1708 . 1 1 164 164 ARG HA H 1 4.1950 0.05 . 1 . . . . 208 ARG HA . 6578 1 1709 . 1 1 164 164 ARG HB2 H 1 1.4100 0.05 . 1 . . . . 208 ARG HB2 . 6578 1 1710 . 1 1 164 164 ARG HB3 H 1 1.4100 0.05 . 1 . . . . 208 ARG HB3 . 6578 1 1711 . 1 1 164 164 ARG C C 13 176.9650 0.35 . 1 . . . . 208 ARG C . 6578 1 1712 . 1 1 164 164 ARG CA C 13 56.3910 0.35 . 1 . . . . 208 ARG CA . 6578 1 1713 . 1 1 164 164 ARG CB C 13 29.7380 0.35 . 1 . . . . 208 ARG CB . 6578 1 1714 . 1 1 164 164 ARG N N 15 121.6460 0.5 . 1 . . . . 208 ARG N . 6578 1 1715 . 1 1 165 165 LYS H H 1 8.1010 0.05 . 1 . . . . 209 LYS H . 6578 1 1716 . 1 1 165 165 LYS HA H 1 4.2300 0.05 . 1 . . . . 209 LYS HA . 6578 1 1717 . 1 1 165 165 LYS HB2 H 1 1.8200 0.05 . 1 . . . . 209 LYS HB2 . 6578 1 1718 . 1 1 165 165 LYS HB3 H 1 1.8200 0.05 . 1 . . . . 209 LYS HB3 . 6578 1 1719 . 1 1 165 165 LYS HG2 H 1 1.5200 0.05 . 1 . . . . 209 LYS HG2 . 6578 1 1720 . 1 1 165 165 LYS HG3 H 1 1.5200 0.05 . 1 . . . . 209 LYS HG3 . 6578 1 1721 . 1 1 165 165 LYS C C 13 177.7370 0.35 . 1 . . . . 209 LYS C . 6578 1 1722 . 1 1 165 165 LYS CA C 13 56.8950 0.35 . 1 . . . . 209 LYS CA . 6578 1 1723 . 1 1 165 165 LYS CB C 13 32.0730 0.35 . 1 . . . . 209 LYS CB . 6578 1 1724 . 1 1 165 165 LYS N N 15 120.6190 0.5 . 1 . . . . 209 LYS N . 6578 1 1725 . 1 1 166 166 GLY H H 1 8.3750 0.05 . 1 . . . . 210 GLY H . 6578 1 1726 . 1 1 166 166 GLY HA2 H 1 3.9710 0.05 . 2 . . . . 210 GLY HA2 . 6578 1 1727 . 1 1 166 166 GLY HA3 H 1 2.3670 0.05 . 2 . . . . 210 GLY HA3 . 6578 1 1728 . 1 1 166 166 GLY C C 13 174.6250 0.35 . 1 . . . . 210 GLY C . 6578 1 1729 . 1 1 166 166 GLY CA C 13 45.1600 0.35 . 1 . . . . 210 GLY CA . 6578 1 1730 . 1 1 166 166 GLY N N 15 108.8010 0.5 . 1 . . . . 210 GLY N . 6578 1 1731 . 1 1 167 167 GLN H H 1 8.0610 0.05 . 1 . . . . 211 GLN H . 6578 1 1732 . 1 1 167 167 GLN HA H 1 5.1260 0.05 . 1 . . . . 211 GLN HA . 6578 1 1733 . 1 1 167 167 GLN C C 13 176.3970 0.35 . 1 . . . . 211 GLN C . 6578 1 1734 . 1 1 167 167 GLN CA C 13 55.6970 0.35 . 1 . . . . 211 GLN CA . 6578 1 1735 . 1 1 167 167 GLN CB C 13 28.7770 0.35 . 1 . . . . 211 GLN CB . 6578 1 1736 . 1 1 167 167 GLN N N 15 119.4630 0.5 . 1 . . . . 211 GLN N . 6578 1 1737 . 1 1 168 168 GLU H H 1 8.4600 0.05 . 1 . . . . 212 GLU H . 6578 1 1738 . 1 1 168 168 GLU HA H 1 4.2400 0.05 . 1 . . . . 212 GLU HA . 6578 1 1739 . 1 1 168 168 GLU HB2 H 1 2.0510 0.05 . 2 . . . . 212 GLU HB2 . 6578 1 1740 . 1 1 168 168 GLU HB3 H 1 2.0500 0.05 . 2 . . . . 212 GLU HB3 . 6578 1 1741 . 1 1 168 168 GLU HG2 H 1 2.3000 0.05 . 1 . . . . 212 GLU HG2 . 6578 1 1742 . 1 1 168 168 GLU HG3 H 1 2.3000 0.05 . 1 . . . . 212 GLU HG3 . 6578 1 1743 . 1 1 168 168 GLU C C 13 176.7100 0.35 . 1 . . . . 212 GLU C . 6578 1 1744 . 1 1 168 168 GLU CA C 13 56.7000 0.35 . 1 . . . . 212 GLU CA . 6578 1 1745 . 1 1 168 168 GLU CB C 13 29.5300 0.35 . 1 . . . . 212 GLU CB . 6578 1 1746 . 1 1 168 168 GLU N N 15 121.3800 0.5 . 1 . . . . 212 GLU N . 6578 1 1747 . 1 1 169 169 ARG H H 1 8.2100 0.05 . 1 . . . . 213 ARG H . 6578 1 1748 . 1 1 169 169 ARG HA H 1 4.7430 0.05 . 1 . . . . 213 ARG HA . 6578 1 1749 . 1 1 169 169 ARG HB2 H 1 1.7800 0.05 . 1 . . . . 213 ARG HB2 . 6578 1 1750 . 1 1 169 169 ARG HB3 H 1 1.7800 0.05 . 1 . . . . 213 ARG HB3 . 6578 1 1751 . 1 1 169 169 ARG C C 13 176.1780 0.35 . 1 . . . . 213 ARG C . 6578 1 1752 . 1 1 169 169 ARG CA C 13 55.7100 0.35 . 1 . . . . 213 ARG CA . 6578 1 1753 . 1 1 169 169 ARG CB C 13 29.9300 0.35 . 1 . . . . 213 ARG CB . 6578 1 1754 . 1 1 169 169 ARG N N 15 120.7400 0.5 . 1 . . . . 213 ARG N . 6578 1 1755 . 1 1 170 170 LEU H H 1 8.1200 0.05 . 1 . . . . 214 LEU H . 6578 1 1756 . 1 1 170 170 LEU HA H 1 4.2600 0.05 . 1 . . . . 214 LEU HA . 6578 1 1757 . 1 1 170 170 LEU HB2 H 1 1.5630 0.05 . 2 . . . . 214 LEU HB2 . 6578 1 1758 . 1 1 170 170 LEU HB3 H 1 1.4730 0.05 . 2 . . . . 214 LEU HB3 . 6578 1 1759 . 1 1 170 170 LEU HG H 1 1.5760 0.05 . 1 . . . . 214 LEU HG . 6578 1 1760 . 1 1 170 170 LEU HD11 H 1 0.8560 0.05 . 2 . . . . 214 LEU HD1 . 6578 1 1761 . 1 1 170 170 LEU HD12 H 1 0.8560 0.05 . 2 . . . . 214 LEU HD1 . 6578 1 1762 . 1 1 170 170 LEU HD13 H 1 0.8560 0.05 . 2 . . . . 214 LEU HD1 . 6578 1 1763 . 1 1 170 170 LEU HD21 H 1 0.8020 0.05 . 2 . . . . 214 LEU HD2 . 6578 1 1764 . 1 1 170 170 LEU HD22 H 1 0.8020 0.05 . 2 . . . . 214 LEU HD2 . 6578 1 1765 . 1 1 170 170 LEU HD23 H 1 0.8020 0.05 . 2 . . . . 214 LEU HD2 . 6578 1 1766 . 1 1 170 170 LEU C C 13 177.3140 0.35 . 1 . . . . 214 LEU C . 6578 1 1767 . 1 1 170 170 LEU CA C 13 55.0230 0.35 . 1 . . . . 214 LEU CA . 6578 1 1768 . 1 1 170 170 LEU CB C 13 42.2340 0.35 . 1 . . . . 214 LEU CB . 6578 1 1769 . 1 1 170 170 LEU CG C 13 26.8870 0.35 . 1 . . . . 214 LEU CG . 6578 1 1770 . 1 1 170 170 LEU CD1 C 13 24.8410 0.35 . 1 . . . . 214 LEU CD1 . 6578 1 1771 . 1 1 170 170 LEU CD2 C 13 23.3060 0.35 . 1 . . . . 214 LEU CD2 . 6578 1 1772 . 1 1 170 170 LEU N N 15 122.6700 0.5 . 1 . . . . 214 LEU N . 6578 1 1773 . 1 1 171 171 GLU H H 1 8.3000 0.05 . 1 . . . . 215 GLU H . 6578 1 1774 . 1 1 171 171 GLU HA H 1 4.2620 0.05 . 1 . . . . 215 GLU HA . 6578 1 1775 . 1 1 171 171 GLU CA C 13 55.1200 0.35 . 1 . . . . 215 GLU CA . 6578 1 1776 . 1 1 171 171 GLU CB C 13 29.6600 0.35 . 1 . . . . 215 GLU CB . 6578 1 1777 . 1 1 171 171 GLU N N 15 120.4900 0.5 . 1 . . . . 215 GLU N . 6578 1 stop_ save_