data_11544 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11544 _Entry.Title ; DESIGNED ARMADILLO REPEAT PROTEIN SELF-ASSEMBLED COMPLEX (YIIM2-MAII) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-22 _Entry.Accession_date 2013-11-24 _Entry.Last_release_date 2014-07-21 _Entry.Original_release_date 2014-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the complex formed in solution by a split Armadillo repeat protein' _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 Oliver Zerbe . . . 11544 2 Martin Christen . T . 11544 3 Andreas Plueckthun . . . 11544 4 Randall Watson . W . 11544 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11544 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Armadillo repeat motif' . 11544 'De novo protein' . 11544 self-assembly . 11544 'solenoid repeat' . 11544 'solution complex' . 11544 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 11544 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 632 11544 '15N chemical shifts' 186 11544 '1H chemical shifts' 1081 11544 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-07-21 2013-11-22 original author . 11544 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11548 'DESIGNED ARMADILLO REPEAT PROTEIN FRAGMENT (MAII)' 11544 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11544 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24931467 _Citation.Full_citation . _Citation.Title 'Spontaneous Self-Assembly of Fragments of Engineered Armadillo Repeat Proteins into Folded Proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 7 _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 985 _Citation.Page_last 995 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Randall Watson . W . 11544 1 2 Martin Christen . T . 11544 1 3 Christina Ewald . . . 11544 1 4 Fabian Bumback . . . 11544 1 5 Christian Reichen . . . 11544 1 6 Maja Mihajlovic . . . 11544 1 7 E. Schmidt . . . 11544 1 8 Peter Guntert . . . 11544 1 9 Amedeo Caflisch . . . 11544 1 10 Andreas Plueckthun . . . 11544 1 11 Oliver Zerbe . . . 11544 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11544 _Assembly.ID 1 _Assembly.Name 'ARMADILLO REPEAT PROTEIN SELF-ASSEMBLED COMPLEX (YIIM2-MAII)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 YM2 1 $YM2 A . yes native no no . . . 11544 1 2 MA 2 $MA B . yes native no no . . . 11544 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RU4 . . . . 'Structure from this entry' . 11544 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YM2 _Entity.Sf_category entity _Entity.Sf_framecode YM2 _Entity.Entry_ID 11544 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YM2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GELPQMTQQLNSDDMQEQLS ATRKFSQILSDGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVQLLSSPNEQ ILQEALWALSNIASG ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'DESIGNED ARMADILLO REPEAT PROTEIN N-TERMINAL FRAGMENT (YIIM2) IN COMPLEX WITH MA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12193.641 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RU4 . "Designed Armadillo Repeat Protein Self-assembled Complex (yiim2-maii)" . . . . . 100.00 115 100.00 100.00 9.17e-70 . . . . 11544 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 1 GLY . 11544 1 2 2 GLU . 11544 1 3 3 LEU . 11544 1 4 4 PRO . 11544 1 5 5 GLN . 11544 1 6 6 MET . 11544 1 7 7 THR . 11544 1 8 8 GLN . 11544 1 9 9 GLN . 11544 1 10 10 LEU . 11544 1 11 11 ASN . 11544 1 12 12 SER . 11544 1 13 13 ASP . 11544 1 14 14 ASP . 11544 1 15 15 MET . 11544 1 16 16 GLN . 11544 1 17 17 GLU . 11544 1 18 18 GLN . 11544 1 19 19 LEU . 11544 1 20 20 SER . 11544 1 21 21 ALA . 11544 1 22 22 THR . 11544 1 23 23 ARG . 11544 1 24 24 LYS . 11544 1 25 25 PHE . 11544 1 26 26 SER . 11544 1 27 27 GLN . 11544 1 28 28 ILE . 11544 1 29 29 LEU . 11544 1 30 30 SER . 11544 1 31 31 ASP . 11544 1 32 32 GLY . 11544 1 33 33 ASN . 11544 1 34 34 GLU . 11544 1 35 35 GLN . 11544 1 36 36 ILE . 11544 1 37 37 GLN . 11544 1 38 38 ALA . 11544 1 39 39 VAL . 11544 1 40 40 ILE . 11544 1 41 41 ASP . 11544 1 42 42 ALA . 11544 1 43 43 GLY . 11544 1 44 44 ALA . 11544 1 45 45 LEU . 11544 1 46 46 PRO . 11544 1 47 47 ALA . 11544 1 48 48 LEU . 11544 1 49 49 VAL . 11544 1 50 50 GLN . 11544 1 51 51 LEU . 11544 1 52 52 LEU . 11544 1 53 53 SER . 11544 1 54 54 SER . 11544 1 55 55 PRO . 11544 1 56 56 ASN . 11544 1 57 57 GLU . 11544 1 58 58 GLN . 11544 1 59 59 ILE . 11544 1 60 60 LEU . 11544 1 61 61 GLN . 11544 1 62 62 GLU . 11544 1 63 63 ALA . 11544 1 64 64 LEU . 11544 1 65 65 TRP . 11544 1 66 66 ALA . 11544 1 67 67 LEU . 11544 1 68 68 SER . 11544 1 69 69 ASN . 11544 1 70 70 ILE . 11544 1 71 71 ALA . 11544 1 72 72 SER . 11544 1 73 73 GLY . 11544 1 74 74 GLY . 11544 1 75 75 ASN . 11544 1 76 76 GLU . 11544 1 77 77 GLN . 11544 1 78 78 ILE . 11544 1 79 79 GLN . 11544 1 80 80 ALA . 11544 1 81 81 VAL . 11544 1 82 82 ILE . 11544 1 83 83 ASP . 11544 1 84 84 ALA . 11544 1 85 85 GLY . 11544 1 86 86 ALA . 11544 1 87 87 LEU . 11544 1 88 88 PRO . 11544 1 89 89 ALA . 11544 1 90 90 LEU . 11544 1 91 91 VAL . 11544 1 92 92 GLN . 11544 1 93 93 LEU . 11544 1 94 94 LEU . 11544 1 95 95 SER . 11544 1 96 96 SER . 11544 1 97 97 PRO . 11544 1 98 98 ASN . 11544 1 99 99 GLU . 11544 1 100 100 GLN . 11544 1 101 101 ILE . 11544 1 102 102 LEU . 11544 1 103 103 GLN . 11544 1 104 104 GLU . 11544 1 105 105 ALA . 11544 1 106 106 LEU . 11544 1 107 107 TRP . 11544 1 108 108 ALA . 11544 1 109 109 LEU . 11544 1 110 110 SER . 11544 1 111 111 ASN . 11544 1 112 112 ILE . 11544 1 113 113 ALA . 11544 1 114 114 SER . 11544 1 115 115 GLY . 11544 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 . GLY 1 1 11544 1 . GLU 2 2 11544 1 . LEU 3 3 11544 1 . PRO 4 4 11544 1 . GLN 5 5 11544 1 . MET 6 6 11544 1 . THR 7 7 11544 1 . GLN 8 8 11544 1 . GLN 9 9 11544 1 . LEU 10 10 11544 1 . ASN 11 11 11544 1 . SER 12 12 11544 1 . ASP 13 13 11544 1 . ASP 14 14 11544 1 . MET 15 15 11544 1 . GLN 16 16 11544 1 . GLU 17 17 11544 1 . GLN 18 18 11544 1 . LEU 19 19 11544 1 . SER 20 20 11544 1 . ALA 21 21 11544 1 . THR 22 22 11544 1 . ARG 23 23 11544 1 . LYS 24 24 11544 1 . PHE 25 25 11544 1 . SER 26 26 11544 1 . GLN 27 27 11544 1 . ILE 28 28 11544 1 . LEU 29 29 11544 1 . SER 30 30 11544 1 . ASP 31 31 11544 1 . GLY 32 32 11544 1 . ASN 33 33 11544 1 . GLU 34 34 11544 1 . GLN 35 35 11544 1 . ILE 36 36 11544 1 . GLN 37 37 11544 1 . ALA 38 38 11544 1 . VAL 39 39 11544 1 . ILE 40 40 11544 1 . ASP 41 41 11544 1 . ALA 42 42 11544 1 . GLY 43 43 11544 1 . ALA 44 44 11544 1 . LEU 45 45 11544 1 . PRO 46 46 11544 1 . ALA 47 47 11544 1 . LEU 48 48 11544 1 . VAL 49 49 11544 1 . GLN 50 50 11544 1 . LEU 51 51 11544 1 . LEU 52 52 11544 1 . SER 53 53 11544 1 . SER 54 54 11544 1 . PRO 55 55 11544 1 . ASN 56 56 11544 1 . GLU 57 57 11544 1 . GLN 58 58 11544 1 . ILE 59 59 11544 1 . LEU 60 60 11544 1 . GLN 61 61 11544 1 . GLU 62 62 11544 1 . ALA 63 63 11544 1 . LEU 64 64 11544 1 . TRP 65 65 11544 1 . ALA 66 66 11544 1 . LEU 67 67 11544 1 . SER 68 68 11544 1 . ASN 69 69 11544 1 . ILE 70 70 11544 1 . ALA 71 71 11544 1 . SER 72 72 11544 1 . GLY 73 73 11544 1 . GLY 74 74 11544 1 . ASN 75 75 11544 1 . GLU 76 76 11544 1 . GLN 77 77 11544 1 . ILE 78 78 11544 1 . GLN 79 79 11544 1 . ALA 80 80 11544 1 . VAL 81 81 11544 1 . ILE 82 82 11544 1 . ASP 83 83 11544 1 . ALA 84 84 11544 1 . GLY 85 85 11544 1 . ALA 86 86 11544 1 . LEU 87 87 11544 1 . PRO 88 88 11544 1 . ALA 89 89 11544 1 . LEU 90 90 11544 1 . VAL 91 91 11544 1 . GLN 92 92 11544 1 . LEU 93 93 11544 1 . LEU 94 94 11544 1 . SER 95 95 11544 1 . SER 96 96 11544 1 . PRO 97 97 11544 1 . ASN 98 98 11544 1 . GLU 99 99 11544 1 . GLN 100 100 11544 1 . ILE 101 101 11544 1 . LEU 102 102 11544 1 . GLN 103 103 11544 1 . GLU 104 104 11544 1 . ALA 105 105 11544 1 . LEU 106 106 11544 1 . TRP 107 107 11544 1 . ALA 108 108 11544 1 . LEU 109 109 11544 1 . SER 110 110 11544 1 . ASN 111 111 11544 1 . ILE 112 112 11544 1 . ALA 113 113 11544 1 . SER 114 114 11544 1 . GLY 115 115 11544 1 stop_ save_ save_MA _Entity.Sf_category entity _Entity.Sf_framecode MA _Entity.Entry_ID 11544 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNEQIQAVIDAGALPALVQL LSSPNEQILQEALWALSNIA SGGNEQKQAVKEAGALEKLE QLQSHENEKIQKEAQEALEK LQSH ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'DESIGNED ARMADILLO REPEAT PROTEIN C-TERMINAL FRAGMENT (MAII) IN COMPLEX WITH YM2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9104.170 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11548 . MA . . . . . 100.00 84 100.00 100.00 4.07e-47 . . . . 11544 2 2 no PDB 2RU4 . "Designed Armadillo Repeat Protein Self-assembled Complex (yiim2-maii)" . . . . . 100.00 84 100.00 100.00 4.07e-47 . . . . 11544 2 3 no PDB 2RU5 . "Designed Armadillo Repeat Protein Fragment (maii)" . . . . . 100.00 84 100.00 100.00 4.07e-47 . . . . 11544 2 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 1 116 GLY . 11544 2 2 117 ASN . 11544 2 3 118 GLU . 11544 2 4 119 GLN . 11544 2 5 120 ILE . 11544 2 6 121 GLN . 11544 2 7 122 ALA . 11544 2 8 123 VAL . 11544 2 9 124 ILE . 11544 2 10 125 ASP . 11544 2 11 126 ALA . 11544 2 12 127 GLY . 11544 2 13 128 ALA . 11544 2 14 129 LEU . 11544 2 15 130 PRO . 11544 2 16 131 ALA . 11544 2 17 132 LEU . 11544 2 18 133 VAL . 11544 2 19 134 GLN . 11544 2 20 135 LEU . 11544 2 21 136 LEU . 11544 2 22 137 SER . 11544 2 23 138 SER . 11544 2 24 139 PRO . 11544 2 25 140 ASN . 11544 2 26 141 GLU . 11544 2 27 142 GLN . 11544 2 28 143 ILE . 11544 2 29 144 LEU . 11544 2 30 145 GLN . 11544 2 31 146 GLU . 11544 2 32 147 ALA . 11544 2 33 148 LEU . 11544 2 34 149 TRP . 11544 2 35 150 ALA . 11544 2 36 151 LEU . 11544 2 37 152 SER . 11544 2 38 153 ASN . 11544 2 39 154 ILE . 11544 2 40 155 ALA . 11544 2 41 156 SER . 11544 2 42 157 GLY . 11544 2 43 158 GLY . 11544 2 44 159 ASN . 11544 2 45 160 GLU . 11544 2 46 161 GLN . 11544 2 47 162 LYS . 11544 2 48 163 GLN . 11544 2 49 164 ALA . 11544 2 50 165 VAL . 11544 2 51 166 LYS . 11544 2 52 167 GLU . 11544 2 53 168 ALA . 11544 2 54 169 GLY . 11544 2 55 170 ALA . 11544 2 56 171 LEU . 11544 2 57 172 GLU . 11544 2 58 173 LYS . 11544 2 59 174 LEU . 11544 2 60 175 GLU . 11544 2 61 176 GLN . 11544 2 62 177 LEU . 11544 2 63 178 GLN . 11544 2 64 179 SER . 11544 2 65 180 HIS . 11544 2 66 181 GLU . 11544 2 67 182 ASN . 11544 2 68 183 GLU . 11544 2 69 184 LYS . 11544 2 70 185 ILE . 11544 2 71 186 GLN . 11544 2 72 187 LYS . 11544 2 73 188 GLU . 11544 2 74 189 ALA . 11544 2 75 190 GLN . 11544 2 76 191 GLU . 11544 2 77 192 ALA . 11544 2 78 193 LEU . 11544 2 79 194 GLU . 11544 2 80 195 LYS . 11544 2 81 196 LEU . 11544 2 82 197 GLN . 11544 2 83 198 SER . 11544 2 84 199 HIS . 11544 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 . GLY 1 1 11544 2 . ASN 2 2 11544 2 . GLU 3 3 11544 2 . GLN 4 4 11544 2 . ILE 5 5 11544 2 . GLN 6 6 11544 2 . ALA 7 7 11544 2 . VAL 8 8 11544 2 . ILE 9 9 11544 2 . ASP 10 10 11544 2 . ALA 11 11 11544 2 . GLY 12 12 11544 2 . ALA 13 13 11544 2 . LEU 14 14 11544 2 . PRO 15 15 11544 2 . ALA 16 16 11544 2 . LEU 17 17 11544 2 . VAL 18 18 11544 2 . GLN 19 19 11544 2 . LEU 20 20 11544 2 . LEU 21 21 11544 2 . SER 22 22 11544 2 . SER 23 23 11544 2 . PRO 24 24 11544 2 . ASN 25 25 11544 2 . GLU 26 26 11544 2 . GLN 27 27 11544 2 . ILE 28 28 11544 2 . LEU 29 29 11544 2 . GLN 30 30 11544 2 . GLU 31 31 11544 2 . ALA 32 32 11544 2 . LEU 33 33 11544 2 . TRP 34 34 11544 2 . ALA 35 35 11544 2 . LEU 36 36 11544 2 . SER 37 37 11544 2 . ASN 38 38 11544 2 . ILE 39 39 11544 2 . ALA 40 40 11544 2 . SER 41 41 11544 2 . GLY 42 42 11544 2 . GLY 43 43 11544 2 . ASN 44 44 11544 2 . GLU 45 45 11544 2 . GLN 46 46 11544 2 . LYS 47 47 11544 2 . GLN 48 48 11544 2 . ALA 49 49 11544 2 . VAL 50 50 11544 2 . LYS 51 51 11544 2 . GLU 52 52 11544 2 . ALA 53 53 11544 2 . GLY 54 54 11544 2 . ALA 55 55 11544 2 . LEU 56 56 11544 2 . GLU 57 57 11544 2 . LYS 58 58 11544 2 . LEU 59 59 11544 2 . GLU 60 60 11544 2 . GLN 61 61 11544 2 . LEU 62 62 11544 2 . GLN 63 63 11544 2 . SER 64 64 11544 2 . HIS 65 65 11544 2 . GLU 66 66 11544 2 . ASN 67 67 11544 2 . GLU 68 68 11544 2 . LYS 69 69 11544 2 . ILE 70 70 11544 2 . GLN 71 71 11544 2 . LYS 72 72 11544 2 . GLU 73 73 11544 2 . ALA 74 74 11544 2 . GLN 75 75 11544 2 . GLU 76 76 11544 2 . ALA 77 77 11544 2 . LEU 78 78 11544 2 . GLU 79 79 11544 2 . LYS 80 80 11544 2 . LEU 81 81 11544 2 . GLN 82 82 11544 2 . SER 83 83 11544 2 . HIS 84 84 11544 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 11544 _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 $YM2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11544 1 2 2 $MA . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11544 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 11544 _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 $YM2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli M15 . . . . . . . . . . . . . . . pLIC_CR . . . . . . 11544 1 2 2 $MA . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli M15 . . . . . . . . . . . . . . . pLIC_CR . . . . . . 11544 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11544 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YM2 '[U-13C; U-15N]' . . 1 $YM2 . protein 1.0 . . mM . . . . 11544 1 2 MA 'natural abundance' . . 2 $MA . protein 1.5 . . mM . . . . 11544 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11544 1 4 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 11544 1 5 glycerol 'natural abundance' . . . . . solvent 2 . . % . . . . 11544 1 6 TMSP 'natural abundance' . . . . . . 1 . . mM . . . . 11544 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11544 1 8 H2O . . . . . . solvent 88 . . % . . . . 11544 1 9 D2O . . . . . . solvent 10 . . % . . . . 11544 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11544 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YM2 'natural abundance' . . 1 $YM2 . protein 0.90 . . mM . . . . 11544 2 2 MA '[U-13C; U-15N]' . . 2 $MA . protein 0.75 . . mM . . . . 11544 2 3 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11544 2 4 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 11544 2 5 glycerol 'natural abundance' . . . . . solvent 2 . . % . . . . 11544 2 6 TMSP 'natural abundance' . . . . . . 1 . . mM . . . . 11544 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11544 2 8 H2O . . . . . . solvent 88 . . % . . . . 11544 2 9 D2O . . . . . . solvent 10 . . % . . . . 11544 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11544 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 285 . mM 11544 1 pH 7.4 . pH 11544 1 pressure 1 . atm 11544 1 temperature 310 . K 11544 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11544 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11544 1 processing 11544 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11544 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11544 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11544 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 11544 _Software.ID 3 _Software.Name CcpNMR _Software.Version 2.3.1 _Software.Details 'Windows version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 11544 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11544 3 'data analysis' 11544 3 'peak picking' 11544 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 11544 _Software.ID 4 _Software.Name UNIO _Software.Version 2.0.2 _Software.Details 'UNIO'10 interfaced with CYANA 3.96a' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(UNIO) Herrmann' . . 11544 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11544 4 'peak picking' 11544 4 'structure solution' 11544 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11544 _Software.ID 5 _Software.Name CYANA _Software.Version 3.96a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11544 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11544 5 'structure solution' 11544 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11544 _Software.ID 6 _Software.Name X-PLOR_NIH _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11544 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11544 6 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 11544 _Software.ID 7 _Software.Name TALOS-N _Software.Version 4.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 11544 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11544 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11544 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Institute of Organic Chemistry, University of Zuerich' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11544 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Institute of Organic Chemistry, University of Zuerich' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11544 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'EU-BioNMR center, University of Warsaw' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11544 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'Institute of Organic Chemistry, University of Zuerich' . . 11544 1 2 spectrometer_2 Bruker Avance . 600 'Institute of Organic Chemistry, University of Zuerich' . . 11544 1 3 spectrometer_3 Varian DirectDrive . 700 'EU-BioNMR center, University of Warsaw' . . 11544 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11544 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11544 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11544 1 15 '4D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11544 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 17 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 19 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 20 '3D-13C edited/filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 21 '3D-13C-edited/filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 22 '3D-15N-edited/filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11544 1 23 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 24 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 25 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11544 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11544 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11544 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11544 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11544 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11544 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11544 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11544 1 3 '3D HNCO' 1 $sample_1 isotropic 11544 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 7 7 THR HB H 1 4.100 0.03 . 1 . . . A 7 THR HB . 11544 1 2 . 1 1 7 7 THR HG21 H 1 1.110 0.03 . 1 . . . A 7 THR HG21 . 11544 1 3 . 1 1 7 7 THR HG22 H 1 1.110 0.03 . 1 . . . A 7 THR HG22 . 11544 1 4 . 1 1 7 7 THR HG23 H 1 1.110 0.03 . 1 . . . A 7 THR HG23 . 11544 1 5 . 1 1 7 7 THR CB C 13 68.233 0.100 . 1 . . . A 7 THR CB . 11544 1 6 . 1 1 7 7 THR CG2 C 13 22.344 0.100 . 1 . . . A 7 THR CG2 . 11544 1 7 . 1 1 12 12 SER HA H 1 4.214 0.03 . 1 . . . A 12 SER HA . 11544 1 8 . 1 1 12 12 SER HB2 H 1 3.792 0.03 . 2 . . . A 12 SER HB2 . 11544 1 9 . 1 1 12 12 SER HB3 H 1 4.016 0.03 . 2 . . . A 12 SER HB3 . 11544 1 10 . 1 1 12 12 SER C C 13 174.437 0.100 . 1 . . . A 12 SER C . 11544 1 11 . 1 1 12 12 SER CA C 13 58.551 0.100 . 1 . . . A 12 SER CA . 11544 1 12 . 1 1 12 12 SER CB C 13 63.823 0.100 . 1 . . . A 12 SER CB . 11544 1 13 . 1 1 13 13 ASP H H 1 8.315 0.03 . 1 . . . A 13 ASP H . 11544 1 14 . 1 1 13 13 ASP N N 15 122.549 0.3 . 1 . . . A 13 ASP N . 11544 1 15 . 1 1 22 22 THR HB H 1 4.202 0.03 . 1 . . . A 22 THR HB . 11544 1 16 . 1 1 22 22 THR HG21 H 1 1.047 0.03 . 1 . . . A 22 THR HG21 . 11544 1 17 . 1 1 22 22 THR HG22 H 1 1.047 0.03 . 1 . . . A 22 THR HG22 . 11544 1 18 . 1 1 22 22 THR HG23 H 1 1.047 0.03 . 1 . . . A 22 THR HG23 . 11544 1 19 . 1 1 22 22 THR CB C 13 68.460 0.100 . 1 . . . A 22 THR CB . 11544 1 20 . 1 1 22 22 THR CG2 C 13 22.006 0.100 . 1 . . . A 22 THR CG2 . 11544 1 21 . 1 1 23 23 ARG HA H 1 4.064 0.03 . 1 . . . A 23 ARG HA . 11544 1 22 . 1 1 23 23 ARG HB2 H 1 1.781 0.03 . 1 . . . A 23 ARG HB2 . 11544 1 23 . 1 1 23 23 ARG HG3 H 1 1.527 0.03 . 1 . . . A 23 ARG HG3 . 11544 1 24 . 1 1 23 23 ARG HD2 H 1 3.006 0.03 . 1 . . . A 23 ARG HD2 . 11544 1 25 . 1 1 23 23 ARG CA C 13 58.795 0.100 . 1 . . . A 23 ARG CA . 11544 1 26 . 1 1 23 23 ARG CB C 13 30.097 0.100 . 1 . . . A 23 ARG CB . 11544 1 27 . 1 1 23 23 ARG CG C 13 28.052 0.100 . 1 . . . A 23 ARG CG . 11544 1 28 . 1 1 23 23 ARG CD C 13 43.518 0.100 . 1 . . . A 23 ARG CD . 11544 1 29 . 1 1 24 24 LYS HB3 H 1 1.716 0.03 . 1 . . . A 24 LYS HB3 . 11544 1 30 . 1 1 24 24 LYS HG2 H 1 1.286 0.03 . 2 . . . A 24 LYS HG2 . 11544 1 31 . 1 1 24 24 LYS HG3 H 1 1.409 0.03 . 2 . . . A 24 LYS HG3 . 11544 1 32 . 1 1 24 24 LYS HD2 H 1 1.549 0.03 . 1 . . . A 24 LYS HD2 . 11544 1 33 . 1 1 24 24 LYS HE2 H 1 2.806 0.03 . 1 . . . A 24 LYS HE2 . 11544 1 34 . 1 1 24 24 LYS CB C 13 32.234 0.100 . 1 . . . A 24 LYS CB . 11544 1 35 . 1 1 24 24 LYS CG C 13 25.218 0.100 . 1 . . . A 24 LYS CG . 11544 1 36 . 1 1 24 24 LYS CD C 13 29.054 0.100 . 1 . . . A 24 LYS CD . 11544 1 37 . 1 1 24 24 LYS CE C 13 42.041 0.100 . 1 . . . A 24 LYS CE . 11544 1 38 . 1 1 29 29 LEU C C 13 178.100 0.100 . 1 . . . A 29 LEU C . 11544 1 39 . 1 1 30 30 SER H H 1 7.822 0.03 . 1 . . . A 30 SER H . 11544 1 40 . 1 1 30 30 SER HA H 1 4.301 0.03 . 1 . . . A 30 SER HA . 11544 1 41 . 1 1 30 30 SER HB2 H 1 3.674 0.03 . 1 . . . A 30 SER HB2 . 11544 1 42 . 1 1 30 30 SER C C 13 177.488 0.100 . 1 . . . A 30 SER C . 11544 1 43 . 1 1 30 30 SER CA C 13 59.852 0.100 . 1 . . . A 30 SER CA . 11544 1 44 . 1 1 30 30 SER CB C 13 63.819 0.100 . 1 . . . A 30 SER CB . 11544 1 45 . 1 1 30 30 SER N N 15 114.251 0.3 . 1 . . . A 30 SER N . 11544 1 46 . 1 1 31 31 ASP H H 1 7.915 0.03 . 1 . . . A 31 ASP H . 11544 1 47 . 1 1 31 31 ASP HA H 1 4.599 0.03 . 1 . . . A 31 ASP HA . 11544 1 48 . 1 1 31 31 ASP HB2 H 1 2.694 0.03 . 1 . . . A 31 ASP HB2 . 11544 1 49 . 1 1 31 31 ASP C C 13 176.958 0.100 . 1 . . . A 31 ASP C . 11544 1 50 . 1 1 31 31 ASP CA C 13 55.138 0.100 . 1 . . . A 31 ASP CA . 11544 1 51 . 1 1 31 31 ASP CB C 13 41.265 0.100 . 1 . . . A 31 ASP CB . 11544 1 52 . 1 1 31 31 ASP N N 15 121.114 0.3 . 1 . . . A 31 ASP N . 11544 1 53 . 1 1 32 32 GLY H H 1 7.756 0.03 . 1 . . . A 32 GLY H . 11544 1 54 . 1 1 32 32 GLY N N 15 107.094 0.3 . 1 . . . A 32 GLY N . 11544 1 55 . 1 1 33 33 ASN HA H 1 4.545 0.03 . 1 . . . A 33 ASN HA . 11544 1 56 . 1 1 33 33 ASN HB2 H 1 2.788 0.03 . 1 . . . A 33 ASN HB2 . 11544 1 57 . 1 1 33 33 ASN HD21 H 1 6.842 0.03 . 1 . . . A 33 ASN HD21 . 11544 1 58 . 1 1 33 33 ASN HD22 H 1 7.546 0.03 . 1 . . . A 33 ASN HD22 . 11544 1 59 . 1 1 33 33 ASN C C 13 176.565 0.100 . 1 . . . A 33 ASN C . 11544 1 60 . 1 1 33 33 ASN CA C 13 54.722 0.100 . 1 . . . A 33 ASN CA . 11544 1 61 . 1 1 33 33 ASN CB C 13 38.994 0.100 . 1 . . . A 33 ASN CB . 11544 1 62 . 1 1 33 33 ASN ND2 N 15 112.480 0.3 . 1 . . . A 33 ASN ND2 . 11544 1 63 . 1 1 34 34 GLU H H 1 8.732 0.03 . 1 . . . A 34 GLU H . 11544 1 64 . 1 1 34 34 GLU HA H 1 4.161 0.03 . 1 . . . A 34 GLU HA . 11544 1 65 . 1 1 34 34 GLU HB2 H 1 2.039 0.03 . 2 . . . A 34 GLU HB2 . 11544 1 66 . 1 1 34 34 GLU HB3 H 1 1.907 0.03 . 2 . . . A 34 GLU HB3 . 11544 1 67 . 1 1 34 34 GLU HG2 H 1 2.273 0.03 . 2 . . . A 34 GLU HG2 . 11544 1 68 . 1 1 34 34 GLU HG3 H 1 2.201 0.03 . 2 . . . A 34 GLU HG3 . 11544 1 69 . 1 1 34 34 GLU C C 13 177.512 0.100 . 1 . . . A 34 GLU C . 11544 1 70 . 1 1 34 34 GLU CA C 13 58.046 0.100 . 1 . . . A 34 GLU CA . 11544 1 71 . 1 1 34 34 GLU CB C 13 29.501 0.100 . 1 . . . A 34 GLU CB . 11544 1 72 . 1 1 34 34 GLU CG C 13 36.289 0.100 . 1 . . . A 34 GLU CG . 11544 1 73 . 1 1 34 34 GLU N N 15 120.392 0.3 . 1 . . . A 34 GLU N . 11544 1 74 . 1 1 35 35 GLN H H 1 8.277 0.03 . 1 . . . A 35 GLN H . 11544 1 75 . 1 1 35 35 GLN HA H 1 4.369 0.03 . 1 . . . A 35 GLN HA . 11544 1 76 . 1 1 35 35 GLN HB2 H 1 2.246 0.03 . 2 . . . A 35 GLN HB2 . 11544 1 77 . 1 1 35 35 GLN HB3 H 1 2.403 0.03 . 2 . . . A 35 GLN HB3 . 11544 1 78 . 1 1 35 35 GLN HG2 H 1 2.341 0.03 . 1 . . . A 35 GLN HG2 . 11544 1 79 . 1 1 35 35 GLN HE21 H 1 6.625 0.03 . 1 . . . A 35 GLN HE21 . 11544 1 80 . 1 1 35 35 GLN C C 13 177.177 0.100 . 1 . . . A 35 GLN C . 11544 1 81 . 1 1 35 35 GLN CA C 13 56.351 0.100 . 1 . . . A 35 GLN CA . 11544 1 82 . 1 1 35 35 GLN CB C 13 28.725 0.100 . 1 . . . A 35 GLN CB . 11544 1 83 . 1 1 35 35 GLN CG C 13 34.115 0.100 . 1 . . . A 35 GLN CG . 11544 1 84 . 1 1 35 35 GLN N N 15 118.970 0.3 . 1 . . . A 35 GLN N . 11544 1 85 . 1 1 35 35 GLN NE2 N 15 111.781 0.3 . 1 . . . A 35 GLN NE2 . 11544 1 86 . 1 1 36 36 ILE H H 1 7.862 0.03 . 1 . . . A 36 ILE H . 11544 1 87 . 1 1 36 36 ILE HG12 H 1 1.011 0.03 . 1 . . . A 36 ILE HG12 . 11544 1 88 . 1 1 36 36 ILE C C 13 177.264 0.100 . 1 . . . A 36 ILE C . 11544 1 89 . 1 1 36 36 ILE CG1 C 13 29.165 0.100 . 1 . . . A 36 ILE CG1 . 11544 1 90 . 1 1 36 36 ILE N N 15 120.242 0.3 . 1 . . . A 36 ILE N . 11544 1 91 . 1 1 37 37 GLN H H 1 8.216 0.03 . 1 . . . A 37 GLN H . 11544 1 92 . 1 1 37 37 GLN HA H 1 3.745 0.03 . 1 . . . A 37 GLN HA . 11544 1 93 . 1 1 37 37 GLN HB3 H 1 2.029 0.03 . 1 . . . A 37 GLN HB3 . 11544 1 94 . 1 1 37 37 GLN HG2 H 1 2.307 0.03 . 2 . . . A 37 GLN HG2 . 11544 1 95 . 1 1 37 37 GLN HG3 H 1 2.387 0.03 . 2 . . . A 37 GLN HG3 . 11544 1 96 . 1 1 37 37 GLN HE21 H 1 7.438 0.03 . 1 . . . A 37 GLN HE21 . 11544 1 97 . 1 1 37 37 GLN HE22 H 1 7.438 0.03 . 1 . . . A 37 GLN HE22 . 11544 1 98 . 1 1 37 37 GLN CA C 13 58.170 0.100 . 1 . . . A 37 GLN CA . 11544 1 99 . 1 1 37 37 GLN CB C 13 28.137 0.100 . 1 . . . A 37 GLN CB . 11544 1 100 . 1 1 37 37 GLN CG C 13 33.459 0.100 . 1 . . . A 37 GLN CG . 11544 1 101 . 1 1 37 37 GLN N N 15 119.444 0.3 . 1 . . . A 37 GLN N . 11544 1 102 . 1 1 37 37 GLN NE2 N 15 111.781 0.3 . 1 . . . A 37 GLN NE2 . 11544 1 103 . 1 1 38 38 ALA H H 1 7.557 0.03 . 1 . . . A 38 ALA H . 11544 1 104 . 1 1 38 38 ALA HA H 1 4.117 0.03 . 1 . . . A 38 ALA HA . 11544 1 105 . 1 1 38 38 ALA HB1 H 1 1.425 0.03 . 1 . . . A 38 ALA HB1 . 11544 1 106 . 1 1 38 38 ALA HB2 H 1 1.425 0.03 . 1 . . . A 38 ALA HB2 . 11544 1 107 . 1 1 38 38 ALA HB3 H 1 1.425 0.03 . 1 . . . A 38 ALA HB3 . 11544 1 108 . 1 1 38 38 ALA C C 13 180.679 0.100 . 1 . . . A 38 ALA C . 11544 1 109 . 1 1 38 38 ALA CA C 13 54.931 0.100 . 1 . . . A 38 ALA CA . 11544 1 110 . 1 1 38 38 ALA CB C 13 18.240 0.100 . 1 . . . A 38 ALA CB . 11544 1 111 . 1 1 38 38 ALA N N 15 120.702 0.3 . 1 . . . A 38 ALA N . 11544 1 112 . 1 1 39 39 VAL H H 1 7.833 0.03 . 1 . . . A 39 VAL H . 11544 1 113 . 1 1 39 39 VAL HA H 1 4.074 0.03 . 1 . . . A 39 VAL HA . 11544 1 114 . 1 1 39 39 VAL HB H 1 2.268 0.03 . 1 . . . A 39 VAL HB . 11544 1 115 . 1 1 39 39 VAL HG21 H 1 1.298 0.03 . 1 . . . A 39 VAL HG21 . 11544 1 116 . 1 1 39 39 VAL HG22 H 1 1.298 0.03 . 1 . . . A 39 VAL HG22 . 11544 1 117 . 1 1 39 39 VAL HG23 H 1 1.298 0.03 . 1 . . . A 39 VAL HG23 . 11544 1 118 . 1 1 39 39 VAL C C 13 178.041 0.100 . 1 . . . A 39 VAL C . 11544 1 119 . 1 1 39 39 VAL CA C 13 66.158 0.100 . 1 . . . A 39 VAL CA . 11544 1 120 . 1 1 39 39 VAL CB C 13 35.290 0.100 . 1 . . . A 39 VAL CB . 11544 1 121 . 1 1 39 39 VAL CG2 C 13 19.190 0.100 . 1 . . . A 39 VAL CG2 . 11544 1 122 . 1 1 39 39 VAL N N 15 118.717 0.3 . 1 . . . A 39 VAL N . 11544 1 123 . 1 1 40 40 ILE H H 1 7.951 0.03 . 1 . . . A 40 ILE H . 11544 1 124 . 1 1 40 40 ILE HG12 H 1 1.165 0.03 . 1 . . . A 40 ILE HG12 . 11544 1 125 . 1 1 40 40 ILE CG1 C 13 28.204 0.100 . 1 . . . A 40 ILE CG1 . 11544 1 126 . 1 1 40 40 ILE N N 15 119.748 0.3 . 1 . . . A 40 ILE N . 11544 1 127 . 1 1 41 41 ASP H H 1 7.988 0.03 . 1 . . . A 41 ASP H . 11544 1 128 . 1 1 41 41 ASP N N 15 115.717 0.3 . 1 . . . A 41 ASP N . 11544 1 129 . 1 1 42 42 ALA H H 1 8.030 0.03 . 1 . . . A 42 ALA H . 11544 1 130 . 1 1 42 42 ALA HA H 1 4.233 0.03 . 1 . . . A 42 ALA HA . 11544 1 131 . 1 1 42 42 ALA HB1 H 1 1.469 0.03 . 1 . . . A 42 ALA HB1 . 11544 1 132 . 1 1 42 42 ALA HB2 H 1 1.469 0.03 . 1 . . . A 42 ALA HB2 . 11544 1 133 . 1 1 42 42 ALA HB3 H 1 1.469 0.03 . 1 . . . A 42 ALA HB3 . 11544 1 134 . 1 1 42 42 ALA C C 13 178.367 0.100 . 1 . . . A 42 ALA C . 11544 1 135 . 1 1 42 42 ALA CA C 13 52.839 0.100 . 1 . . . A 42 ALA CA . 11544 1 136 . 1 1 42 42 ALA CB C 13 18.921 0.100 . 1 . . . A 42 ALA CB . 11544 1 137 . 1 1 42 42 ALA N N 15 118.656 0.3 . 1 . . . A 42 ALA N . 11544 1 138 . 1 1 43 43 GLY H H 1 8.046 0.03 . 1 . . . A 43 GLY H . 11544 1 139 . 1 1 43 43 GLY HA2 H 1 3.947 0.03 . 2 . . . A 43 GLY HA2 . 11544 1 140 . 1 1 43 43 GLY HA3 H 1 4.181 0.03 . 2 . . . A 43 GLY HA3 . 11544 1 141 . 1 1 43 43 GLY CA C 13 45.701 0.100 . 1 . . . A 43 GLY CA . 11544 1 142 . 1 1 43 43 GLY N N 15 105.528 0.3 . 1 . . . A 43 GLY N . 11544 1 143 . 1 1 44 44 ALA H H 1 7.271 0.03 . 1 . . . A 44 ALA H . 11544 1 144 . 1 1 44 44 ALA HA H 1 3.861 0.03 . 1 . . . A 44 ALA HA . 11544 1 145 . 1 1 44 44 ALA HB1 H 1 1.089 0.03 . 1 . . . A 44 ALA HB1 . 11544 1 146 . 1 1 44 44 ALA HB2 H 1 1.089 0.03 . 1 . . . A 44 ALA HB2 . 11544 1 147 . 1 1 44 44 ALA HB3 H 1 1.089 0.03 . 1 . . . A 44 ALA HB3 . 11544 1 148 . 1 1 44 44 ALA C C 13 178.628 0.100 . 1 . . . A 44 ALA C . 11544 1 149 . 1 1 44 44 ALA CA C 13 54.792 0.100 . 1 . . . A 44 ALA CA . 11544 1 150 . 1 1 44 44 ALA CB C 13 20.454 0.100 . 1 . . . A 44 ALA CB . 11544 1 151 . 1 1 44 44 ALA N N 15 117.232 0.3 . 1 . . . A 44 ALA N . 11544 1 152 . 1 1 45 45 LEU H H 1 9.159 0.03 . 1 . . . A 45 LEU H . 11544 1 153 . 1 1 45 45 LEU HA H 1 3.994 0.03 . 1 . . . A 45 LEU HA . 11544 1 154 . 1 1 45 45 LEU HB2 H 1 1.181 0.03 . 2 . . . A 45 LEU HB2 . 11544 1 155 . 1 1 45 45 LEU HB3 H 1 1.903 0.03 . 2 . . . A 45 LEU HB3 . 11544 1 156 . 1 1 45 45 LEU HG H 1 1.614 0.03 . 1 . . . A 45 LEU HG . 11544 1 157 . 1 1 45 45 LEU HD11 H 1 0.712 0.03 . 2 . . . A 45 LEU HD11 . 11544 1 158 . 1 1 45 45 LEU HD12 H 1 0.712 0.03 . 2 . . . A 45 LEU HD12 . 11544 1 159 . 1 1 45 45 LEU HD13 H 1 0.712 0.03 . 2 . . . A 45 LEU HD13 . 11544 1 160 . 1 1 45 45 LEU HD21 H 1 0.765 0.03 . 2 . . . A 45 LEU HD21 . 11544 1 161 . 1 1 45 45 LEU HD22 H 1 0.765 0.03 . 2 . . . A 45 LEU HD22 . 11544 1 162 . 1 1 45 45 LEU HD23 H 1 0.765 0.03 . 2 . . . A 45 LEU HD23 . 11544 1 163 . 1 1 45 45 LEU CA C 13 60.348 0.100 . 1 . . . A 45 LEU CA . 11544 1 164 . 1 1 45 45 LEU CB C 13 39.279 0.100 . 1 . . . A 45 LEU CB . 11544 1 165 . 1 1 45 45 LEU CG C 13 27.760 0.100 . 1 . . . A 45 LEU CG . 11544 1 166 . 1 1 45 45 LEU CD1 C 13 24.535 0.100 . 2 . . . A 45 LEU CD1 . 11544 1 167 . 1 1 45 45 LEU CD2 C 13 26.072 0.100 . 2 . . . A 45 LEU CD2 . 11544 1 168 . 1 1 45 45 LEU N N 15 113.501 0.3 . 1 . . . A 45 LEU N . 11544 1 169 . 1 1 46 46 PRO HA H 1 4.149 0.03 . 1 . . . A 46 PRO HA . 11544 1 170 . 1 1 46 46 PRO HB2 H 1 2.357 0.03 . 2 . . . A 46 PRO HB2 . 11544 1 171 . 1 1 46 46 PRO HB3 H 1 1.853 0.03 . 2 . . . A 46 PRO HB3 . 11544 1 172 . 1 1 46 46 PRO C C 13 178.753 0.100 . 1 . . . A 46 PRO C . 11544 1 173 . 1 1 46 46 PRO CA C 13 66.256 0.100 . 1 . . . A 46 PRO CA . 11544 1 174 . 1 1 46 46 PRO CB C 13 30.702 0.100 . 1 . . . A 46 PRO CB . 11544 1 175 . 1 1 47 47 ALA H H 1 6.865 0.03 . 1 . . . A 47 ALA H . 11544 1 176 . 1 1 47 47 ALA HA H 1 4.130 0.03 . 1 . . . A 47 ALA HA . 11544 1 177 . 1 1 47 47 ALA HB1 H 1 1.350 0.03 . 1 . . . A 47 ALA HB1 . 11544 1 178 . 1 1 47 47 ALA HB2 H 1 1.350 0.03 . 1 . . . A 47 ALA HB2 . 11544 1 179 . 1 1 47 47 ALA HB3 H 1 1.350 0.03 . 1 . . . A 47 ALA HB3 . 11544 1 180 . 1 1 47 47 ALA C C 13 179.660 0.100 . 1 . . . A 47 ALA C . 11544 1 181 . 1 1 47 47 ALA CA C 13 54.697 0.100 . 1 . . . A 47 ALA CA . 11544 1 182 . 1 1 47 47 ALA CB C 13 19.008 0.100 . 1 . . . A 47 ALA CB . 11544 1 183 . 1 1 47 47 ALA N N 15 119.072 0.3 . 1 . . . A 47 ALA N . 11544 1 184 . 1 1 48 48 LEU H H 1 7.894 0.03 . 1 . . . A 48 LEU H . 11544 1 185 . 1 1 48 48 LEU HA H 1 3.895 0.03 . 1 . . . A 48 LEU HA . 11544 1 186 . 1 1 48 48 LEU HB2 H 1 1.514 0.03 . 2 . . . A 48 LEU HB2 . 11544 1 187 . 1 1 48 48 LEU HB3 H 1 1.331 0.03 . 2 . . . A 48 LEU HB3 . 11544 1 188 . 1 1 48 48 LEU HG H 1 1.786 0.03 . 1 . . . A 48 LEU HG . 11544 1 189 . 1 1 48 48 LEU HD11 H 1 0.642 0.03 . 2 . . . A 48 LEU HD11 . 11544 1 190 . 1 1 48 48 LEU HD12 H 1 0.642 0.03 . 2 . . . A 48 LEU HD12 . 11544 1 191 . 1 1 48 48 LEU HD13 H 1 0.642 0.03 . 2 . . . A 48 LEU HD13 . 11544 1 192 . 1 1 48 48 LEU HD21 H 1 0.535 0.03 . 2 . . . A 48 LEU HD21 . 11544 1 193 . 1 1 48 48 LEU HD22 H 1 0.535 0.03 . 2 . . . A 48 LEU HD22 . 11544 1 194 . 1 1 48 48 LEU HD23 H 1 0.535 0.03 . 2 . . . A 48 LEU HD23 . 11544 1 195 . 1 1 48 48 LEU C C 13 178.468 0.100 . 1 . . . A 48 LEU C . 11544 1 196 . 1 1 48 48 LEU CA C 13 58.000 0.100 . 1 . . . A 48 LEU CA . 11544 1 197 . 1 1 48 48 LEU CB C 13 42.315 0.100 . 1 . . . A 48 LEU CB . 11544 1 198 . 1 1 48 48 LEU CG C 13 27.030 0.100 . 1 . . . A 48 LEU CG . 11544 1 199 . 1 1 48 48 LEU CD2 C 13 23.735 0.100 . 1 . . . A 48 LEU CD2 . 11544 1 200 . 1 1 48 48 LEU N N 15 119.057 0.3 . 1 . . . A 48 LEU N . 11544 1 201 . 1 1 49 49 VAL H H 1 8.044 0.03 . 1 . . . A 49 VAL H . 11544 1 202 . 1 1 49 49 VAL HA H 1 3.277 0.03 . 1 . . . A 49 VAL HA . 11544 1 203 . 1 1 49 49 VAL HB H 1 2.042 0.03 . 1 . . . A 49 VAL HB . 11544 1 204 . 1 1 49 49 VAL HG11 H 1 0.686 0.03 . 2 . . . A 49 VAL HG11 . 11544 1 205 . 1 1 49 49 VAL HG12 H 1 0.686 0.03 . 2 . . . A 49 VAL HG12 . 11544 1 206 . 1 1 49 49 VAL HG13 H 1 0.686 0.03 . 2 . . . A 49 VAL HG13 . 11544 1 207 . 1 1 49 49 VAL HG21 H 1 0.779 0.03 . 2 . . . A 49 VAL HG21 . 11544 1 208 . 1 1 49 49 VAL HG22 H 1 0.779 0.03 . 2 . . . A 49 VAL HG22 . 11544 1 209 . 1 1 49 49 VAL HG23 H 1 0.779 0.03 . 2 . . . A 49 VAL HG23 . 11544 1 210 . 1 1 49 49 VAL C C 13 179.734 0.100 . 1 . . . A 49 VAL C . 11544 1 211 . 1 1 49 49 VAL CA C 13 66.817 0.100 . 1 . . . A 49 VAL CA . 11544 1 212 . 1 1 49 49 VAL CB C 13 31.006 0.100 . 1 . . . A 49 VAL CB . 11544 1 213 . 1 1 49 49 VAL CG1 C 13 21.442 0.100 . 2 . . . A 49 VAL CG1 . 11544 1 214 . 1 1 49 49 VAL CG2 C 13 23.808 0.100 . 2 . . . A 49 VAL CG2 . 11544 1 215 . 1 1 49 49 VAL N N 15 116.207 0.3 . 1 . . . A 49 VAL N . 11544 1 216 . 1 1 50 50 GLN H H 1 7.723 0.03 . 1 . . . A 50 GLN H . 11544 1 217 . 1 1 50 50 GLN HA H 1 3.981 0.03 . 1 . . . A 50 GLN HA . 11544 1 218 . 1 1 50 50 GLN HB2 H 1 2.120 0.03 . 2 . . . A 50 GLN HB2 . 11544 1 219 . 1 1 50 50 GLN HB3 H 1 2.090 0.03 . 2 . . . A 50 GLN HB3 . 11544 1 220 . 1 1 50 50 GLN HG2 H 1 2.398 0.03 . 1 . . . A 50 GLN HG2 . 11544 1 221 . 1 1 50 50 GLN C C 13 178.777 0.100 . 1 . . . A 50 GLN C . 11544 1 222 . 1 1 50 50 GLN CA C 13 58.764 0.100 . 1 . . . A 50 GLN CA . 11544 1 223 . 1 1 50 50 GLN CB C 13 28.161 0.100 . 1 . . . A 50 GLN CB . 11544 1 224 . 1 1 50 50 GLN CG C 13 33.891 0.100 . 1 . . . A 50 GLN CG . 11544 1 225 . 1 1 50 50 GLN N N 15 120.295 0.3 . 1 . . . A 50 GLN N . 11544 1 226 . 1 1 51 51 LEU H H 1 7.495 0.03 . 1 . . . A 51 LEU H . 11544 1 227 . 1 1 51 51 LEU HA H 1 4.021 0.03 . 1 . . . A 51 LEU HA . 11544 1 228 . 1 1 51 51 LEU HB2 H 1 1.959 0.03 . 2 . . . A 51 LEU HB2 . 11544 1 229 . 1 1 51 51 LEU HB3 H 1 1.338 0.03 . 2 . . . A 51 LEU HB3 . 11544 1 230 . 1 1 51 51 LEU HG H 1 1.991 0.03 . 1 . . . A 51 LEU HG . 11544 1 231 . 1 1 51 51 LEU HD21 H 1 0.807 0.03 . 1 . . . A 51 LEU HD21 . 11544 1 232 . 1 1 51 51 LEU HD22 H 1 0.807 0.03 . 1 . . . A 51 LEU HD22 . 11544 1 233 . 1 1 51 51 LEU HD23 H 1 0.807 0.03 . 1 . . . A 51 LEU HD23 . 11544 1 234 . 1 1 51 51 LEU C C 13 177.915 0.100 . 1 . . . A 51 LEU C . 11544 1 235 . 1 1 51 51 LEU CA C 13 56.814 0.100 . 1 . . . A 51 LEU CA . 11544 1 236 . 1 1 51 51 LEU CB C 13 40.465 0.100 . 1 . . . A 51 LEU CB . 11544 1 237 . 1 1 51 51 LEU CG C 13 26.374 0.100 . 1 . . . A 51 LEU CG . 11544 1 238 . 1 1 51 51 LEU CD2 C 13 22.084 0.100 . 1 . . . A 51 LEU CD2 . 11544 1 239 . 1 1 51 51 LEU N N 15 119.329 0.3 . 1 . . . A 51 LEU N . 11544 1 240 . 1 1 52 52 LEU H H 1 7.455 0.03 . 1 . . . A 52 LEU H . 11544 1 241 . 1 1 52 52 LEU HA H 1 4.109 0.03 . 1 . . . A 52 LEU HA . 11544 1 242 . 1 1 52 52 LEU HB2 H 1 1.933 0.03 . 2 . . . A 52 LEU HB2 . 11544 1 243 . 1 1 52 52 LEU HB3 H 1 1.404 0.03 . 2 . . . A 52 LEU HB3 . 11544 1 244 . 1 1 52 52 LEU HG H 1 1.924 0.03 . 1 . . . A 52 LEU HG . 11544 1 245 . 1 1 52 52 LEU HD21 H 1 0.712 0.03 . 1 . . . A 52 LEU HD21 . 11544 1 246 . 1 1 52 52 LEU HD22 H 1 0.712 0.03 . 1 . . . A 52 LEU HD22 . 11544 1 247 . 1 1 52 52 LEU HD23 H 1 0.712 0.03 . 1 . . . A 52 LEU HD23 . 11544 1 248 . 1 1 52 52 LEU C C 13 176.709 0.100 . 1 . . . A 52 LEU C . 11544 1 249 . 1 1 52 52 LEU CA C 13 56.272 0.100 . 1 . . . A 52 LEU CA . 11544 1 250 . 1 1 52 52 LEU CB C 13 40.456 0.100 . 1 . . . A 52 LEU CB . 11544 1 251 . 1 1 52 52 LEU CG C 13 26.269 0.100 . 1 . . . A 52 LEU CG . 11544 1 252 . 1 1 52 52 LEU CD2 C 13 22.898 0.100 . 1 . . . A 52 LEU CD2 . 11544 1 253 . 1 1 52 52 LEU N N 15 116.012 0.3 . 1 . . . A 52 LEU N . 11544 1 254 . 1 1 53 53 SER H H 1 7.367 0.03 . 1 . . . A 53 SER H . 11544 1 255 . 1 1 53 53 SER HA H 1 4.524 0.03 . 1 . . . A 53 SER HA . 11544 1 256 . 1 1 53 53 SER HB2 H 1 3.943 0.03 . 2 . . . A 53 SER HB2 . 11544 1 257 . 1 1 53 53 SER HB3 H 1 3.899 0.03 . 2 . . . A 53 SER HB3 . 11544 1 258 . 1 1 53 53 SER C C 13 174.270 0.100 . 1 . . . A 53 SER C . 11544 1 259 . 1 1 53 53 SER CA C 13 57.569 0.100 . 1 . . . A 53 SER CA . 11544 1 260 . 1 1 53 53 SER CB C 13 63.678 0.100 . 1 . . . A 53 SER CB . 11544 1 261 . 1 1 53 53 SER N N 15 110.972 0.3 . 1 . . . A 53 SER N . 11544 1 262 . 1 1 54 54 SER H H 1 7.472 0.03 . 1 . . . A 54 SER H . 11544 1 263 . 1 1 54 54 SER HA H 1 4.440 0.03 . 1 . . . A 54 SER HA . 11544 1 264 . 1 1 54 54 SER HB2 H 1 4.140 0.03 . 2 . . . A 54 SER HB2 . 11544 1 265 . 1 1 54 54 SER HB3 H 1 3.707 0.03 . 2 . . . A 54 SER HB3 . 11544 1 266 . 1 1 54 54 SER CA C 13 56.796 0.100 . 1 . . . A 54 SER CA . 11544 1 267 . 1 1 54 54 SER CB C 13 65.256 0.100 . 1 . . . A 54 SER CB . 11544 1 268 . 1 1 54 54 SER N N 15 118.149 0.3 . 1 . . . A 54 SER N . 11544 1 269 . 1 1 55 55 PRO HA H 1 4.523 0.03 . 1 . . . A 55 PRO HA . 11544 1 270 . 1 1 55 55 PRO HB3 H 1 2.644 0.03 . 1 . . . A 55 PRO HB3 . 11544 1 271 . 1 1 55 55 PRO HG2 H 1 2.121 0.03 . 1 . . . A 55 PRO HG2 . 11544 1 272 . 1 1 55 55 PRO CA C 13 63.112 0.100 . 1 . . . A 55 PRO CA . 11544 1 273 . 1 1 55 55 PRO CB C 13 32.494 0.100 . 1 . . . A 55 PRO CB . 11544 1 274 . 1 1 55 55 PRO CG C 13 26.763 0.100 . 1 . . . A 55 PRO CG . 11544 1 275 . 1 1 56 56 ASN H H 1 8.199 0.03 . 1 . . . A 56 ASN H . 11544 1 276 . 1 1 56 56 ASN HA H 1 4.630 0.03 . 1 . . . A 56 ASN HA . 11544 1 277 . 1 1 56 56 ASN HB2 H 1 2.605 0.03 . 2 . . . A 56 ASN HB2 . 11544 1 278 . 1 1 56 56 ASN HB3 H 1 2.986 0.03 . 2 . . . A 56 ASN HB3 . 11544 1 279 . 1 1 56 56 ASN HD21 H 1 7.142 0.03 . 1 . . . A 56 ASN HD21 . 11544 1 280 . 1 1 56 56 ASN C C 13 174.767 0.100 . 1 . . . A 56 ASN C . 11544 1 281 . 1 1 56 56 ASN CA C 13 52.722 0.100 . 1 . . . A 56 ASN CA . 11544 1 282 . 1 1 56 56 ASN CB C 13 39.700 0.100 . 1 . . . A 56 ASN CB . 11544 1 283 . 1 1 56 56 ASN N N 15 120.115 0.3 . 1 . . . A 56 ASN N . 11544 1 284 . 1 1 56 56 ASN ND2 N 15 113.010 0.3 . 1 . . . A 56 ASN ND2 . 11544 1 285 . 1 1 57 57 GLU H H 1 8.908 0.03 . 1 . . . A 57 GLU H . 11544 1 286 . 1 1 57 57 GLU HA H 1 3.840 0.03 . 1 . . . A 57 GLU HA . 11544 1 287 . 1 1 57 57 GLU HB2 H 1 1.965 0.03 . 2 . . . A 57 GLU HB2 . 11544 1 288 . 1 1 57 57 GLU HB3 H 1 1.947 0.03 . 2 . . . A 57 GLU HB3 . 11544 1 289 . 1 1 57 57 GLU HG2 H 1 2.327 0.03 . 2 . . . A 57 GLU HG2 . 11544 1 290 . 1 1 57 57 GLU HG3 H 1 2.140 0.03 . 2 . . . A 57 GLU HG3 . 11544 1 291 . 1 1 57 57 GLU C C 13 177.667 0.100 . 1 . . . A 57 GLU C . 11544 1 292 . 1 1 57 57 GLU CA C 13 59.834 0.100 . 1 . . . A 57 GLU CA . 11544 1 293 . 1 1 57 57 GLU CB C 13 29.828 0.100 . 1 . . . A 57 GLU CB . 11544 1 294 . 1 1 57 57 GLU CG C 13 37.393 0.100 . 1 . . . A 57 GLU CG . 11544 1 295 . 1 1 57 57 GLU N N 15 126.416 0.3 . 1 . . . A 57 GLU N . 11544 1 296 . 1 1 58 58 GLN H H 1 8.023 0.03 . 1 . . . A 58 GLN H . 11544 1 297 . 1 1 58 58 GLN HA H 1 4.045 0.03 . 1 . . . A 58 GLN HA . 11544 1 298 . 1 1 58 58 GLN HB2 H 1 2.304 0.03 . 2 . . . A 58 GLN HB2 . 11544 1 299 . 1 1 58 58 GLN HB3 H 1 2.399 0.03 . 2 . . . A 58 GLN HB3 . 11544 1 300 . 1 1 58 58 GLN HG2 H 1 2.403 0.03 . 2 . . . A 58 GLN HG2 . 11544 1 301 . 1 1 58 58 GLN HG3 H 1 2.265 0.03 . 2 . . . A 58 GLN HG3 . 11544 1 302 . 1 1 58 58 GLN HE21 H 1 7.583 0.03 . 1 . . . A 58 GLN HE21 . 11544 1 303 . 1 1 58 58 GLN HE22 H 1 8.450 0.03 . 1 . . . A 58 GLN HE22 . 11544 1 304 . 1 1 58 58 GLN C C 13 178.427 0.100 . 1 . . . A 58 GLN C . 11544 1 305 . 1 1 58 58 GLN CA C 13 59.346 0.100 . 1 . . . A 58 GLN CA . 11544 1 306 . 1 1 58 58 GLN CB C 13 28.101 0.100 . 1 . . . A 58 GLN CB . 11544 1 307 . 1 1 58 58 GLN CG C 13 34.599 0.100 . 1 . . . A 58 GLN CG . 11544 1 308 . 1 1 58 58 GLN N N 15 118.680 0.3 . 1 . . . A 58 GLN N . 11544 1 309 . 1 1 58 58 GLN NE2 N 15 118.829 0.3 . 1 . . . A 58 GLN NE2 . 11544 1 310 . 1 1 59 59 ILE H H 1 7.406 0.03 . 1 . . . A 59 ILE H . 11544 1 311 . 1 1 59 59 ILE HA H 1 3.507 0.03 . 1 . . . A 59 ILE HA . 11544 1 312 . 1 1 59 59 ILE HB H 1 2.036 0.03 . 1 . . . A 59 ILE HB . 11544 1 313 . 1 1 59 59 ILE HG12 H 1 2.060 0.03 . 2 . . . A 59 ILE HG12 . 11544 1 314 . 1 1 59 59 ILE HG13 H 1 1.542 0.03 . 2 . . . A 59 ILE HG13 . 11544 1 315 . 1 1 59 59 ILE HG21 H 1 0.950 0.03 . 1 . . . A 59 ILE HG21 . 11544 1 316 . 1 1 59 59 ILE HG22 H 1 0.950 0.03 . 1 . . . A 59 ILE HG22 . 11544 1 317 . 1 1 59 59 ILE HG23 H 1 0.950 0.03 . 1 . . . A 59 ILE HG23 . 11544 1 318 . 1 1 59 59 ILE HD11 H 1 0.957 0.03 . 1 . . . A 59 ILE HD11 . 11544 1 319 . 1 1 59 59 ILE HD12 H 1 0.957 0.03 . 1 . . . A 59 ILE HD12 . 11544 1 320 . 1 1 59 59 ILE HD13 H 1 0.957 0.03 . 1 . . . A 59 ILE HD13 . 11544 1 321 . 1 1 59 59 ILE C C 13 177.081 0.100 . 1 . . . A 59 ILE C . 11544 1 322 . 1 1 59 59 ILE CA C 13 65.062 0.100 . 1 . . . A 59 ILE CA . 11544 1 323 . 1 1 59 59 ILE CB C 13 37.547 0.100 . 1 . . . A 59 ILE CB . 11544 1 324 . 1 1 59 59 ILE CG1 C 13 30.279 0.100 . 1 . . . A 59 ILE CG1 . 11544 1 325 . 1 1 59 59 ILE CG2 C 13 18.692 0.100 . 1 . . . A 59 ILE CG2 . 11544 1 326 . 1 1 59 59 ILE CD1 C 13 13.116 0.100 . 1 . . . A 59 ILE CD1 . 11544 1 327 . 1 1 59 59 ILE N N 15 120.551 0.3 . 1 . . . A 59 ILE N . 11544 1 328 . 1 1 60 60 LEU H H 1 7.904 0.03 . 1 . . . A 60 LEU H . 11544 1 329 . 1 1 60 60 LEU HA H 1 3.863 0.03 . 1 . . . A 60 LEU HA . 11544 1 330 . 1 1 60 60 LEU HB2 H 1 1.515 0.03 . 2 . . . A 60 LEU HB2 . 11544 1 331 . 1 1 60 60 LEU HB3 H 1 1.811 0.03 . 2 . . . A 60 LEU HB3 . 11544 1 332 . 1 1 60 60 LEU HG H 1 1.812 0.03 . 1 . . . A 60 LEU HG . 11544 1 333 . 1 1 60 60 LEU HD11 H 1 0.931 0.03 . 1 . . . A 60 LEU HD11 . 11544 1 334 . 1 1 60 60 LEU HD12 H 1 0.931 0.03 . 1 . . . A 60 LEU HD12 . 11544 1 335 . 1 1 60 60 LEU HD13 H 1 0.931 0.03 . 1 . . . A 60 LEU HD13 . 11544 1 336 . 1 1 60 60 LEU C C 13 178.942 0.100 . 1 . . . A 60 LEU C . 11544 1 337 . 1 1 60 60 LEU CA C 13 59.152 0.100 . 1 . . . A 60 LEU CA . 11544 1 338 . 1 1 60 60 LEU CB C 13 43.322 0.100 . 1 . . . A 60 LEU CB . 11544 1 339 . 1 1 60 60 LEU CG C 13 26.299 0.100 . 1 . . . A 60 LEU CG . 11544 1 340 . 1 1 60 60 LEU CD1 C 13 24.743 0.100 . 1 . . . A 60 LEU CD1 . 11544 1 341 . 1 1 60 60 LEU N N 15 120.044 0.3 . 1 . . . A 60 LEU N . 11544 1 342 . 1 1 61 61 GLN H H 1 7.899 0.03 . 1 . . . A 61 GLN H . 11544 1 343 . 1 1 61 61 GLN HA H 1 3.575 0.03 . 1 . . . A 61 GLN HA . 11544 1 344 . 1 1 61 61 GLN HB2 H 1 1.966 0.03 . 2 . . . A 61 GLN HB2 . 11544 1 345 . 1 1 61 61 GLN HB3 H 1 1.834 0.03 . 2 . . . A 61 GLN HB3 . 11544 1 346 . 1 1 61 61 GLN HG2 H 1 1.923 0.03 . 2 . . . A 61 GLN HG2 . 11544 1 347 . 1 1 61 61 GLN HG3 H 1 1.826 0.03 . 2 . . . A 61 GLN HG3 . 11544 1 348 . 1 1 61 61 GLN HE21 H 1 6.401 0.03 . 1 . . . A 61 GLN HE21 . 11544 1 349 . 1 1 61 61 GLN HE22 H 1 7.098 0.03 . 1 . . . A 61 GLN HE22 . 11544 1 350 . 1 1 61 61 GLN C C 13 177.935 0.100 . 1 . . . A 61 GLN C . 11544 1 351 . 1 1 61 61 GLN CA C 13 59.672 0.100 . 1 . . . A 61 GLN CA . 11544 1 352 . 1 1 61 61 GLN CB C 13 28.821 0.100 . 1 . . . A 61 GLN CB . 11544 1 353 . 1 1 61 61 GLN CG C 13 34.614 0.100 . 1 . . . A 61 GLN CG . 11544 1 354 . 1 1 61 61 GLN N N 15 115.726 0.3 . 1 . . . A 61 GLN N . 11544 1 355 . 1 1 61 61 GLN NE2 N 15 109.818 0.3 . 1 . . . A 61 GLN NE2 . 11544 1 356 . 1 1 62 62 GLU H H 1 7.582 0.03 . 1 . . . A 62 GLU H . 11544 1 357 . 1 1 62 62 GLU HA H 1 4.063 0.03 . 1 . . . A 62 GLU HA . 11544 1 358 . 1 1 62 62 GLU HB2 H 1 1.976 0.03 . 1 . . . A 62 GLU HB2 . 11544 1 359 . 1 1 62 62 GLU HG2 H 1 2.259 0.03 . 2 . . . A 62 GLU HG2 . 11544 1 360 . 1 1 62 62 GLU HG3 H 1 2.177 0.03 . 2 . . . A 62 GLU HG3 . 11544 1 361 . 1 1 62 62 GLU C C 13 179.198 0.100 . 1 . . . A 62 GLU C . 11544 1 362 . 1 1 62 62 GLU CA C 13 59.319 0.100 . 1 . . . A 62 GLU CA . 11544 1 363 . 1 1 62 62 GLU CB C 13 28.907 0.100 . 1 . . . A 62 GLU CB . 11544 1 364 . 1 1 62 62 GLU CG C 13 36.277 0.100 . 1 . . . A 62 GLU CG . 11544 1 365 . 1 1 62 62 GLU N N 15 118.781 0.3 . 1 . . . A 62 GLU N . 11544 1 366 . 1 1 63 63 ALA H H 1 8.603 0.03 . 1 . . . A 63 ALA H . 11544 1 367 . 1 1 63 63 ALA HA H 1 3.910 0.03 . 1 . . . A 63 ALA HA . 11544 1 368 . 1 1 63 63 ALA HB1 H 1 1.362 0.03 . 1 . . . A 63 ALA HB1 . 11544 1 369 . 1 1 63 63 ALA HB2 H 1 1.362 0.03 . 1 . . . A 63 ALA HB2 . 11544 1 370 . 1 1 63 63 ALA HB3 H 1 1.362 0.03 . 1 . . . A 63 ALA HB3 . 11544 1 371 . 1 1 63 63 ALA C C 13 179.210 0.100 . 1 . . . A 63 ALA C . 11544 1 372 . 1 1 63 63 ALA CA C 13 55.456 0.100 . 1 . . . A 63 ALA CA . 11544 1 373 . 1 1 63 63 ALA CB C 13 18.401 0.100 . 1 . . . A 63 ALA CB . 11544 1 374 . 1 1 63 63 ALA N N 15 123.206 0.3 . 1 . . . A 63 ALA N . 11544 1 375 . 1 1 64 64 LEU H H 1 8.450 0.03 . 1 . . . A 64 LEU H . 11544 1 376 . 1 1 64 64 LEU HA H 1 4.184 0.03 . 1 . . . A 64 LEU HA . 11544 1 377 . 1 1 64 64 LEU HB2 H 1 1.513 0.03 . 2 . . . A 64 LEU HB2 . 11544 1 378 . 1 1 64 64 LEU HB3 H 1 1.726 0.03 . 2 . . . A 64 LEU HB3 . 11544 1 379 . 1 1 64 64 LEU HG H 1 1.717 0.03 . 1 . . . A 64 LEU HG . 11544 1 380 . 1 1 64 64 LEU HD11 H 1 0.789 0.03 . 2 . . . A 64 LEU HD11 . 11544 1 381 . 1 1 64 64 LEU HD12 H 1 0.789 0.03 . 2 . . . A 64 LEU HD12 . 11544 1 382 . 1 1 64 64 LEU HD13 H 1 0.789 0.03 . 2 . . . A 64 LEU HD13 . 11544 1 383 . 1 1 64 64 LEU HD21 H 1 0.753 0.03 . 2 . . . A 64 LEU HD21 . 11544 1 384 . 1 1 64 64 LEU HD22 H 1 0.753 0.03 . 2 . . . A 64 LEU HD22 . 11544 1 385 . 1 1 64 64 LEU HD23 H 1 0.753 0.03 . 2 . . . A 64 LEU HD23 . 11544 1 386 . 1 1 64 64 LEU C C 13 178.940 0.100 . 1 . . . A 64 LEU C . 11544 1 387 . 1 1 64 64 LEU CA C 13 58.101 0.100 . 1 . . . A 64 LEU CA . 11544 1 388 . 1 1 64 64 LEU CB C 13 41.732 0.100 . 1 . . . A 64 LEU CB . 11544 1 389 . 1 1 64 64 LEU CG C 13 26.569 0.100 . 1 . . . A 64 LEU CG . 11544 1 390 . 1 1 64 64 LEU CD2 C 13 24.460 0.100 . 1 . . . A 64 LEU CD2 . 11544 1 391 . 1 1 64 64 LEU N N 15 118.840 0.3 . 1 . . . A 64 LEU N . 11544 1 392 . 1 1 65 65 TRP H H 1 8.300 0.03 . 1 . . . A 65 TRP H . 11544 1 393 . 1 1 65 65 TRP HA H 1 4.307 0.03 . 1 . . . A 65 TRP HA . 11544 1 394 . 1 1 65 65 TRP HE1 H 1 10.027 0.03 . 1 . . . A 65 TRP HE1 . 11544 1 395 . 1 1 65 65 TRP C C 13 179.285 0.100 . 1 . . . A 65 TRP C . 11544 1 396 . 1 1 65 65 TRP CA C 13 60.415 0.100 . 1 . . . A 65 TRP CA . 11544 1 397 . 1 1 65 65 TRP N N 15 121.413 0.3 . 1 . . . A 65 TRP N . 11544 1 398 . 1 1 65 65 TRP NE1 N 15 129.071 0.3 . 1 . . . A 65 TRP NE1 . 11544 1 399 . 1 1 66 66 ALA H H 1 8.139 0.03 . 1 . . . A 66 ALA H . 11544 1 400 . 1 1 66 66 ALA HA H 1 3.891 0.03 . 1 . . . A 66 ALA HA . 11544 1 401 . 1 1 66 66 ALA HB1 H 1 1.449 0.03 . 1 . . . A 66 ALA HB1 . 11544 1 402 . 1 1 66 66 ALA HB2 H 1 1.449 0.03 . 1 . . . A 66 ALA HB2 . 11544 1 403 . 1 1 66 66 ALA HB3 H 1 1.449 0.03 . 1 . . . A 66 ALA HB3 . 11544 1 404 . 1 1 66 66 ALA C C 13 179.553 0.100 . 1 . . . A 66 ALA C . 11544 1 405 . 1 1 66 66 ALA CA C 13 55.606 0.100 . 1 . . . A 66 ALA CA . 11544 1 406 . 1 1 66 66 ALA CB C 13 17.979 0.100 . 1 . . . A 66 ALA CB . 11544 1 407 . 1 1 66 66 ALA N N 15 121.739 0.3 . 1 . . . A 66 ALA N . 11544 1 408 . 1 1 67 67 LEU H H 1 8.444 0.03 . 1 . . . A 67 LEU H . 11544 1 409 . 1 1 67 67 LEU HA H 1 3.703 0.03 . 1 . . . A 67 LEU HA . 11544 1 410 . 1 1 67 67 LEU HB2 H 1 1.400 0.03 . 2 . . . A 67 LEU HB2 . 11544 1 411 . 1 1 67 67 LEU HB3 H 1 1.774 0.03 . 2 . . . A 67 LEU HB3 . 11544 1 412 . 1 1 67 67 LEU HG H 1 1.647 0.03 . 1 . . . A 67 LEU HG . 11544 1 413 . 1 1 67 67 LEU HD11 H 1 0.684 0.03 . 1 . . . A 67 LEU HD11 . 11544 1 414 . 1 1 67 67 LEU HD12 H 1 0.684 0.03 . 1 . . . A 67 LEU HD12 . 11544 1 415 . 1 1 67 67 LEU HD13 H 1 0.684 0.03 . 1 . . . A 67 LEU HD13 . 11544 1 416 . 1 1 67 67 LEU C C 13 178.859 0.100 . 1 . . . A 67 LEU C . 11544 1 417 . 1 1 67 67 LEU CA C 13 58.280 0.100 . 1 . . . A 67 LEU CA . 11544 1 418 . 1 1 67 67 LEU CB C 13 42.381 0.100 . 1 . . . A 67 LEU CB . 11544 1 419 . 1 1 67 67 LEU CG C 13 27.055 0.100 . 1 . . . A 67 LEU CG . 11544 1 420 . 1 1 67 67 LEU CD1 C 13 26.117 0.100 . 1 . . . A 67 LEU CD1 . 11544 1 421 . 1 1 67 67 LEU N N 15 117.641 0.3 . 1 . . . A 67 LEU N . 11544 1 422 . 1 1 68 68 SER H H 1 8.651 0.03 . 1 . . . A 68 SER H . 11544 1 423 . 1 1 68 68 SER HA H 1 3.884 0.03 . 1 . . . A 68 SER HA . 11544 1 424 . 1 1 68 68 SER HB2 H 1 3.871 0.03 . 1 . . . A 68 SER HB2 . 11544 1 425 . 1 1 68 68 SER C C 13 176.653 0.100 . 1 . . . A 68 SER C . 11544 1 426 . 1 1 68 68 SER CA C 13 61.927 0.100 . 1 . . . A 68 SER CA . 11544 1 427 . 1 1 68 68 SER CB C 13 62.991 0.100 . 1 . . . A 68 SER CB . 11544 1 428 . 1 1 68 68 SER N N 15 115.069 0.3 . 1 . . . A 68 SER N . 11544 1 429 . 1 1 69 69 ASN H H 1 7.743 0.03 . 1 . . . A 69 ASN H . 11544 1 430 . 1 1 69 69 ASN HA H 1 4.181 0.03 . 1 . . . A 69 ASN HA . 11544 1 431 . 1 1 69 69 ASN HB2 H 1 2.440 0.03 . 2 . . . A 69 ASN HB2 . 11544 1 432 . 1 1 69 69 ASN HB3 H 1 2.390 0.03 . 2 . . . A 69 ASN HB3 . 11544 1 433 . 1 1 69 69 ASN HD21 H 1 6.756 0.03 . 1 . . . A 69 ASN HD21 . 11544 1 434 . 1 1 69 69 ASN HD22 H 1 7.347 0.03 . 1 . . . A 69 ASN HD22 . 11544 1 435 . 1 1 69 69 ASN C C 13 178.318 0.100 . 1 . . . A 69 ASN C . 11544 1 436 . 1 1 69 69 ASN CA C 13 56.525 0.100 . 1 . . . A 69 ASN CA . 11544 1 437 . 1 1 69 69 ASN CB C 13 38.917 0.100 . 1 . . . A 69 ASN CB . 11544 1 438 . 1 1 69 69 ASN N N 15 119.494 0.3 . 1 . . . A 69 ASN N . 11544 1 439 . 1 1 69 69 ASN ND2 N 15 111.915 0.3 . 1 . . . A 69 ASN ND2 . 11544 1 440 . 1 1 70 70 ILE H H 1 7.981 0.03 . 1 . . . A 70 ILE H . 11544 1 441 . 1 1 70 70 ILE HA H 1 3.587 0.03 . 1 . . . A 70 ILE HA . 11544 1 442 . 1 1 70 70 ILE HB H 1 2.359 0.03 . 1 . . . A 70 ILE HB . 11544 1 443 . 1 1 70 70 ILE HG12 H 1 1.959 0.03 . 1 . . . A 70 ILE HG12 . 11544 1 444 . 1 1 70 70 ILE HG21 H 1 0.704 0.03 . 1 . . . A 70 ILE HG21 . 11544 1 445 . 1 1 70 70 ILE HG22 H 1 0.704 0.03 . 1 . . . A 70 ILE HG22 . 11544 1 446 . 1 1 70 70 ILE HG23 H 1 0.704 0.03 . 1 . . . A 70 ILE HG23 . 11544 1 447 . 1 1 70 70 ILE HD11 H 1 0.754 0.03 . 1 . . . A 70 ILE HD11 . 11544 1 448 . 1 1 70 70 ILE HD12 H 1 0.754 0.03 . 1 . . . A 70 ILE HD12 . 11544 1 449 . 1 1 70 70 ILE HD13 H 1 0.754 0.03 . 1 . . . A 70 ILE HD13 . 11544 1 450 . 1 1 70 70 ILE C C 13 177.595 0.100 . 1 . . . A 70 ILE C . 11544 1 451 . 1 1 70 70 ILE CA C 13 65.023 0.100 . 1 . . . A 70 ILE CA . 11544 1 452 . 1 1 70 70 ILE CB C 13 37.470 0.100 . 1 . . . A 70 ILE CB . 11544 1 453 . 1 1 70 70 ILE CG1 C 13 29.858 0.100 . 1 . . . A 70 ILE CG1 . 11544 1 454 . 1 1 70 70 ILE CG2 C 13 17.581 0.100 . 1 . . . A 70 ILE CG2 . 11544 1 455 . 1 1 70 70 ILE CD1 C 13 12.870 0.100 . 1 . . . A 70 ILE CD1 . 11544 1 456 . 1 1 70 70 ILE N N 15 121.403 0.3 . 1 . . . A 70 ILE N . 11544 1 457 . 1 1 71 71 ALA H H 1 8.096 0.03 . 1 . . . A 71 ALA H . 11544 1 458 . 1 1 71 71 ALA HA H 1 3.756 0.03 . 1 . . . A 71 ALA HA . 11544 1 459 . 1 1 71 71 ALA HB1 H 1 1.280 0.03 . 1 . . . A 71 ALA HB1 . 11544 1 460 . 1 1 71 71 ALA HB2 H 1 1.280 0.03 . 1 . . . A 71 ALA HB2 . 11544 1 461 . 1 1 71 71 ALA HB3 H 1 1.280 0.03 . 1 . . . A 71 ALA HB3 . 11544 1 462 . 1 1 71 71 ALA C C 13 176.195 0.100 . 1 . . . A 71 ALA C . 11544 1 463 . 1 1 71 71 ALA CA C 13 53.782 0.100 . 1 . . . A 71 ALA CA . 11544 1 464 . 1 1 71 71 ALA CB C 13 17.730 0.100 . 1 . . . A 71 ALA CB . 11544 1 465 . 1 1 71 71 ALA N N 15 119.519 0.3 . 1 . . . A 71 ALA N . 11544 1 466 . 1 1 72 72 SER H H 1 7.330 0.03 . 1 . . . A 72 SER H . 11544 1 467 . 1 1 72 72 SER HA H 1 4.293 0.03 . 1 . . . A 72 SER HA . 11544 1 468 . 1 1 72 72 SER HB2 H 1 3.972 0.03 . 2 . . . A 72 SER HB2 . 11544 1 469 . 1 1 72 72 SER HB3 H 1 3.854 0.03 . 2 . . . A 72 SER HB3 . 11544 1 470 . 1 1 72 72 SER C C 13 175.146 0.100 . 1 . . . A 72 SER C . 11544 1 471 . 1 1 72 72 SER CA C 13 59.366 0.100 . 1 . . . A 72 SER CA . 11544 1 472 . 1 1 72 72 SER CB C 13 63.669 0.100 . 1 . . . A 72 SER CB . 11544 1 473 . 1 1 72 72 SER N N 15 110.449 0.3 . 1 . . . A 72 SER N . 11544 1 474 . 1 1 73 73 GLY H H 1 7.797 0.03 . 1 . . . A 73 GLY H . 11544 1 475 . 1 1 73 73 GLY HA2 H 1 4.126 0.03 . 2 . . . A 73 GLY HA2 . 11544 1 476 . 1 1 73 73 GLY HA3 H 1 3.702 0.03 . 2 . . . A 73 GLY HA3 . 11544 1 477 . 1 1 73 73 GLY C C 13 173.672 0.100 . 1 . . . A 73 GLY C . 11544 1 478 . 1 1 73 73 GLY CA C 13 45.666 0.100 . 1 . . . A 73 GLY CA . 11544 1 479 . 1 1 73 73 GLY N N 15 108.664 0.3 . 1 . . . A 73 GLY N . 11544 1 480 . 1 1 74 74 GLY H H 1 7.584 0.03 . 1 . . . A 74 GLY H . 11544 1 481 . 1 1 74 74 GLY HA2 H 1 4.440 0.03 . 2 . . . A 74 GLY HA2 . 11544 1 482 . 1 1 74 74 GLY HA3 H 1 3.920 0.03 . 2 . . . A 74 GLY HA3 . 11544 1 483 . 1 1 74 74 GLY CA C 13 44.427 0.100 . 1 . . . A 74 GLY CA . 11544 1 484 . 1 1 74 74 GLY N N 15 106.348 0.3 . 1 . . . A 74 GLY N . 11544 1 485 . 1 1 75 75 ASN HA H 1 4.248 0.03 . 1 . . . A 75 ASN HA . 11544 1 486 . 1 1 75 75 ASN HB2 H 1 2.803 0.03 . 2 . . . A 75 ASN HB2 . 11544 1 487 . 1 1 75 75 ASN HB3 H 1 2.710 0.03 . 2 . . . A 75 ASN HB3 . 11544 1 488 . 1 1 75 75 ASN HD21 H 1 6.898 0.03 . 1 . . . A 75 ASN HD21 . 11544 1 489 . 1 1 75 75 ASN HD22 H 1 7.720 0.03 . 1 . . . A 75 ASN HD22 . 11544 1 490 . 1 1 75 75 ASN C C 13 177.466 0.100 . 1 . . . A 75 ASN C . 11544 1 491 . 1 1 75 75 ASN CA C 13 57.440 0.100 . 1 . . . A 75 ASN CA . 11544 1 492 . 1 1 75 75 ASN CB C 13 39.024 0.100 . 1 . . . A 75 ASN CB . 11544 1 493 . 1 1 75 75 ASN ND2 N 15 112.815 0.3 . 1 . . . A 75 ASN ND2 . 11544 1 494 . 1 1 76 76 GLU H H 1 9.087 0.03 . 1 . . . A 76 GLU H . 11544 1 495 . 1 1 76 76 GLU HA H 1 3.997 0.03 . 1 . . . A 76 GLU HA . 11544 1 496 . 1 1 76 76 GLU HB2 H 1 1.950 0.03 . 1 . . . A 76 GLU HB2 . 11544 1 497 . 1 1 76 76 GLU HG2 H 1 2.265 0.03 . 2 . . . A 76 GLU HG2 . 11544 1 498 . 1 1 76 76 GLU HG3 H 1 2.279 0.03 . 2 . . . A 76 GLU HG3 . 11544 1 499 . 1 1 76 76 GLU C C 13 179.055 0.100 . 1 . . . A 76 GLU C . 11544 1 500 . 1 1 76 76 GLU CA C 13 59.780 0.100 . 1 . . . A 76 GLU CA . 11544 1 501 . 1 1 76 76 GLU CB C 13 28.816 0.100 . 1 . . . A 76 GLU CB . 11544 1 502 . 1 1 76 76 GLU CG C 13 36.811 0.100 . 1 . . . A 76 GLU CG . 11544 1 503 . 1 1 76 76 GLU N N 15 119.819 0.3 . 1 . . . A 76 GLU N . 11544 1 504 . 1 1 77 77 GLN H H 1 7.822 0.03 . 1 . . . A 77 GLN H . 11544 1 505 . 1 1 77 77 GLN HA H 1 3.915 0.03 . 1 . . . A 77 GLN HA . 11544 1 506 . 1 1 77 77 GLN HB3 H 1 1.973 0.03 . 1 . . . A 77 GLN HB3 . 11544 1 507 . 1 1 77 77 GLN HG2 H 1 2.358 0.03 . 2 . . . A 77 GLN HG2 . 11544 1 508 . 1 1 77 77 GLN HG3 H 1 2.220 0.03 . 2 . . . A 77 GLN HG3 . 11544 1 509 . 1 1 77 77 GLN HE21 H 1 6.739 0.03 . 1 . . . A 77 GLN HE21 . 11544 1 510 . 1 1 77 77 GLN HE22 H 1 7.527 0.03 . 1 . . . A 77 GLN HE22 . 11544 1 511 . 1 1 77 77 GLN C C 13 177.741 0.100 . 1 . . . A 77 GLN C . 11544 1 512 . 1 1 77 77 GLN CA C 13 59.738 0.100 . 1 . . . A 77 GLN CA . 11544 1 513 . 1 1 77 77 GLN CB C 13 27.380 0.100 . 1 . . . A 77 GLN CB . 11544 1 514 . 1 1 77 77 GLN CG C 13 35.388 0.100 . 1 . . . A 77 GLN CG . 11544 1 515 . 1 1 77 77 GLN N N 15 120.996 0.3 . 1 . . . A 77 GLN N . 11544 1 516 . 1 1 77 77 GLN NE2 N 15 110.801 0.3 . 1 . . . A 77 GLN NE2 . 11544 1 517 . 1 1 78 78 ILE H H 1 8.024 0.03 . 1 . . . A 78 ILE H . 11544 1 518 . 1 1 78 78 ILE HA H 1 3.329 0.03 . 1 . . . A 78 ILE HA . 11544 1 519 . 1 1 78 78 ILE HG12 H 1 1.872 0.03 . 2 . . . A 78 ILE HG12 . 11544 1 520 . 1 1 78 78 ILE HG13 H 1 0.841 0.03 . 2 . . . A 78 ILE HG13 . 11544 1 521 . 1 1 78 78 ILE HG21 H 1 0.872 0.03 . 1 . . . A 78 ILE HG21 . 11544 1 522 . 1 1 78 78 ILE HG22 H 1 0.872 0.03 . 1 . . . A 78 ILE HG22 . 11544 1 523 . 1 1 78 78 ILE HG23 H 1 0.872 0.03 . 1 . . . A 78 ILE HG23 . 11544 1 524 . 1 1 78 78 ILE HD11 H 1 0.834 0.03 . 1 . . . A 78 ILE HD11 . 11544 1 525 . 1 1 78 78 ILE HD12 H 1 0.834 0.03 . 1 . . . A 78 ILE HD12 . 11544 1 526 . 1 1 78 78 ILE HD13 H 1 0.834 0.03 . 1 . . . A 78 ILE HD13 . 11544 1 527 . 1 1 78 78 ILE C C 13 178.019 0.100 . 1 . . . A 78 ILE C . 11544 1 528 . 1 1 78 78 ILE CA C 13 66.069 0.100 . 1 . . . A 78 ILE CA . 11544 1 529 . 1 1 78 78 ILE CG1 C 13 30.545 0.100 . 1 . . . A 78 ILE CG1 . 11544 1 530 . 1 1 78 78 ILE CG2 C 13 18.548 0.100 . 1 . . . A 78 ILE CG2 . 11544 1 531 . 1 1 78 78 ILE CD1 C 13 14.036 0.100 . 1 . . . A 78 ILE CD1 . 11544 1 532 . 1 1 78 78 ILE N N 15 119.654 0.3 . 1 . . . A 78 ILE N . 11544 1 533 . 1 1 79 79 GLN H H 1 8.015 0.03 . 1 . . . A 79 GLN H . 11544 1 534 . 1 1 79 79 GLN HA H 1 3.681 0.03 . 1 . . . A 79 GLN HA . 11544 1 535 . 1 1 79 79 GLN HB2 H 1 1.984 0.03 . 2 . . . A 79 GLN HB2 . 11544 1 536 . 1 1 79 79 GLN HB3 H 1 2.090 0.03 . 2 . . . A 79 GLN HB3 . 11544 1 537 . 1 1 79 79 GLN HG2 H 1 2.280 0.03 . 2 . . . A 79 GLN HG2 . 11544 1 538 . 1 1 79 79 GLN HG3 H 1 2.415 0.03 . 2 . . . A 79 GLN HG3 . 11544 1 539 . 1 1 79 79 GLN HE21 H 1 6.671 0.03 . 1 . . . A 79 GLN HE21 . 11544 1 540 . 1 1 79 79 GLN HE22 H 1 7.794 0.03 . 1 . . . A 79 GLN HE22 . 11544 1 541 . 1 1 79 79 GLN C C 13 177.377 0.100 . 1 . . . A 79 GLN C . 11544 1 542 . 1 1 79 79 GLN CA C 13 58.262 0.100 . 1 . . . A 79 GLN CA . 11544 1 543 . 1 1 79 79 GLN CB C 13 28.088 0.100 . 1 . . . A 79 GLN CB . 11544 1 544 . 1 1 79 79 GLN CG C 13 33.810 0.100 . 1 . . . A 79 GLN CG . 11544 1 545 . 1 1 79 79 GLN N N 15 118.298 0.3 . 1 . . . A 79 GLN N . 11544 1 546 . 1 1 79 79 GLN NE2 N 15 115.090 0.3 . 1 . . . A 79 GLN NE2 . 11544 1 547 . 1 1 80 80 ALA H H 1 7.489 0.03 . 1 . . . A 80 ALA H . 11544 1 548 . 1 1 80 80 ALA HA H 1 4.120 0.03 . 1 . . . A 80 ALA HA . 11544 1 549 . 1 1 80 80 ALA HB1 H 1 1.412 0.03 . 1 . . . A 80 ALA HB1 . 11544 1 550 . 1 1 80 80 ALA HB2 H 1 1.412 0.03 . 1 . . . A 80 ALA HB2 . 11544 1 551 . 1 1 80 80 ALA HB3 H 1 1.412 0.03 . 1 . . . A 80 ALA HB3 . 11544 1 552 . 1 1 80 80 ALA C C 13 180.540 0.100 . 1 . . . A 80 ALA C . 11544 1 553 . 1 1 80 80 ALA CA C 13 55.141 0.100 . 1 . . . A 80 ALA CA . 11544 1 554 . 1 1 80 80 ALA CB C 13 17.666 0.100 . 1 . . . A 80 ALA CB . 11544 1 555 . 1 1 80 80 ALA N N 15 120.336 0.3 . 1 . . . A 80 ALA N . 11544 1 556 . 1 1 81 81 VAL H H 1 7.682 0.03 . 1 . . . A 81 VAL H . 11544 1 557 . 1 1 81 81 VAL HA H 1 3.431 0.03 . 1 . . . A 81 VAL HA . 11544 1 558 . 1 1 81 81 VAL HG11 H 1 0.914 0.03 . 2 . . . A 81 VAL HG11 . 11544 1 559 . 1 1 81 81 VAL HG12 H 1 0.914 0.03 . 2 . . . A 81 VAL HG12 . 11544 1 560 . 1 1 81 81 VAL HG13 H 1 0.914 0.03 . 2 . . . A 81 VAL HG13 . 11544 1 561 . 1 1 81 81 VAL HG21 H 1 0.931 0.03 . 2 . . . A 81 VAL HG21 . 11544 1 562 . 1 1 81 81 VAL HG22 H 1 0.931 0.03 . 2 . . . A 81 VAL HG22 . 11544 1 563 . 1 1 81 81 VAL HG23 H 1 0.931 0.03 . 2 . . . A 81 VAL HG23 . 11544 1 564 . 1 1 81 81 VAL C C 13 177.498 0.100 . 1 . . . A 81 VAL C . 11544 1 565 . 1 1 81 81 VAL CA C 13 66.866 0.100 . 1 . . . A 81 VAL CA . 11544 1 566 . 1 1 81 81 VAL CG1 C 13 21.958 0.100 . 2 . . . A 81 VAL CG1 . 11544 1 567 . 1 1 81 81 VAL CG2 C 13 23.319 0.100 . 2 . . . A 81 VAL CG2 . 11544 1 568 . 1 1 81 81 VAL N N 15 118.691 0.3 . 1 . . . A 81 VAL N . 11544 1 569 . 1 1 82 82 ILE H H 1 8.051 0.03 . 1 . . . A 82 ILE H . 11544 1 570 . 1 1 82 82 ILE HA H 1 3.563 0.03 . 1 . . . A 82 ILE HA . 11544 1 571 . 1 1 82 82 ILE HB H 1 1.917 0.03 . 1 . . . A 82 ILE HB . 11544 1 572 . 1 1 82 82 ILE HG12 H 1 1.435 0.03 . 2 . . . A 82 ILE HG12 . 11544 1 573 . 1 1 82 82 ILE HG13 H 1 1.649 0.03 . 2 . . . A 82 ILE HG13 . 11544 1 574 . 1 1 82 82 ILE HG21 H 1 0.866 0.03 . 1 . . . A 82 ILE HG21 . 11544 1 575 . 1 1 82 82 ILE HG22 H 1 0.866 0.03 . 1 . . . A 82 ILE HG22 . 11544 1 576 . 1 1 82 82 ILE HG23 H 1 0.866 0.03 . 1 . . . A 82 ILE HG23 . 11544 1 577 . 1 1 82 82 ILE HD11 H 1 0.723 0.03 . 1 . . . A 82 ILE HD11 . 11544 1 578 . 1 1 82 82 ILE HD12 H 1 0.723 0.03 . 1 . . . A 82 ILE HD12 . 11544 1 579 . 1 1 82 82 ILE HD13 H 1 0.723 0.03 . 1 . . . A 82 ILE HD13 . 11544 1 580 . 1 1 82 82 ILE C C 13 181.279 0.100 . 1 . . . A 82 ILE C . 11544 1 581 . 1 1 82 82 ILE CA C 13 65.907 0.100 . 1 . . . A 82 ILE CA . 11544 1 582 . 1 1 82 82 ILE CB C 13 37.918 0.100 . 1 . . . A 82 ILE CB . 11544 1 583 . 1 1 82 82 ILE CG1 C 13 29.049 0.100 . 1 . . . A 82 ILE CG1 . 11544 1 584 . 1 1 82 82 ILE CG2 C 13 16.381 0.100 . 1 . . . A 82 ILE CG2 . 11544 1 585 . 1 1 82 82 ILE CD1 C 13 13.877 0.100 . 1 . . . A 82 ILE CD1 . 11544 1 586 . 1 1 82 82 ILE N N 15 120.873 0.3 . 1 . . . A 82 ILE N . 11544 1 587 . 1 1 83 83 ASP H H 1 9.171 0.03 . 1 . . . A 83 ASP H . 11544 1 588 . 1 1 83 83 ASP HA H 1 4.332 0.03 . 1 . . . A 83 ASP HA . 11544 1 589 . 1 1 83 83 ASP HB2 H 1 2.657 0.03 . 2 . . . A 83 ASP HB2 . 11544 1 590 . 1 1 83 83 ASP HB3 H 1 2.702 0.03 . 2 . . . A 83 ASP HB3 . 11544 1 591 . 1 1 83 83 ASP C C 13 177.098 0.100 . 1 . . . A 83 ASP C . 11544 1 592 . 1 1 83 83 ASP CA C 13 57.200 0.100 . 1 . . . A 83 ASP CA . 11544 1 593 . 1 1 83 83 ASP CB C 13 40.010 0.100 . 1 . . . A 83 ASP CB . 11544 1 594 . 1 1 83 83 ASP N N 15 123.492 0.3 . 1 . . . A 83 ASP N . 11544 1 595 . 1 1 84 84 ALA H H 1 7.428 0.03 . 1 . . . A 84 ALA H . 11544 1 596 . 1 1 84 84 ALA HA H 1 4.274 0.03 . 1 . . . A 84 ALA HA . 11544 1 597 . 1 1 84 84 ALA HB1 H 1 1.317 0.03 . 1 . . . A 84 ALA HB1 . 11544 1 598 . 1 1 84 84 ALA HB2 H 1 1.317 0.03 . 1 . . . A 84 ALA HB2 . 11544 1 599 . 1 1 84 84 ALA HB3 H 1 1.317 0.03 . 1 . . . A 84 ALA HB3 . 11544 1 600 . 1 1 84 84 ALA C C 13 176.741 0.100 . 1 . . . A 84 ALA C . 11544 1 601 . 1 1 84 84 ALA CA C 13 52.263 0.100 . 1 . . . A 84 ALA CA . 11544 1 602 . 1 1 84 84 ALA CB C 13 19.274 0.100 . 1 . . . A 84 ALA CB . 11544 1 603 . 1 1 84 84 ALA N N 15 119.283 0.3 . 1 . . . A 84 ALA N . 11544 1 604 . 1 1 85 85 GLY H H 1 7.933 0.03 . 1 . . . A 85 GLY H . 11544 1 605 . 1 1 85 85 GLY HA2 H 1 4.143 0.03 . 2 . . . A 85 GLY HA2 . 11544 1 606 . 1 1 85 85 GLY HA3 H 1 3.861 0.03 . 2 . . . A 85 GLY HA3 . 11544 1 607 . 1 1 85 85 GLY C C 13 176.290 0.100 . 1 . . . A 85 GLY C . 11544 1 608 . 1 1 85 85 GLY CA C 13 45.660 0.100 . 1 . . . A 85 GLY CA . 11544 1 609 . 1 1 85 85 GLY N N 15 104.097 0.3 . 1 . . . A 85 GLY N . 11544 1 610 . 1 1 86 86 ALA H H 1 7.248 0.03 . 1 . . . A 86 ALA H . 11544 1 611 . 1 1 86 86 ALA HA H 1 3.837 0.03 . 1 . . . A 86 ALA HA . 11544 1 612 . 1 1 86 86 ALA HB1 H 1 1.073 0.03 . 1 . . . A 86 ALA HB1 . 11544 1 613 . 1 1 86 86 ALA HB2 H 1 1.073 0.03 . 1 . . . A 86 ALA HB2 . 11544 1 614 . 1 1 86 86 ALA HB3 H 1 1.073 0.03 . 1 . . . A 86 ALA HB3 . 11544 1 615 . 1 1 86 86 ALA C C 13 178.659 0.100 . 1 . . . A 86 ALA C . 11544 1 616 . 1 1 86 86 ALA CA C 13 54.825 0.100 . 1 . . . A 86 ALA CA . 11544 1 617 . 1 1 86 86 ALA CB C 13 20.507 0.100 . 1 . . . A 86 ALA CB . 11544 1 618 . 1 1 86 86 ALA N N 15 117.191 0.3 . 1 . . . A 86 ALA N . 11544 1 619 . 1 1 87 87 LEU H H 1 9.217 0.03 . 1 . . . A 87 LEU H . 11544 1 620 . 1 1 87 87 LEU HA H 1 3.983 0.03 . 1 . . . A 87 LEU HA . 11544 1 621 . 1 1 87 87 LEU HB2 H 1 0.932 0.03 . 2 . . . A 87 LEU HB2 . 11544 1 622 . 1 1 87 87 LEU HB3 H 1 2.067 0.03 . 2 . . . A 87 LEU HB3 . 11544 1 623 . 1 1 87 87 LEU HG H 1 1.742 0.03 . 1 . . . A 87 LEU HG . 11544 1 624 . 1 1 87 87 LEU HD21 H 1 0.763 0.03 . 1 . . . A 87 LEU HD21 . 11544 1 625 . 1 1 87 87 LEU HD22 H 1 0.763 0.03 . 1 . . . A 87 LEU HD22 . 11544 1 626 . 1 1 87 87 LEU HD23 H 1 0.763 0.03 . 1 . . . A 87 LEU HD23 . 11544 1 627 . 1 1 87 87 LEU CA C 13 60.329 0.100 . 1 . . . A 87 LEU CA . 11544 1 628 . 1 1 87 87 LEU CB C 13 38.873 0.100 . 1 . . . A 87 LEU CB . 11544 1 629 . 1 1 87 87 LEU CG C 13 27.126 0.100 . 1 . . . A 87 LEU CG . 11544 1 630 . 1 1 87 87 LEU CD2 C 13 27.039 0.100 . 1 . . . A 87 LEU CD2 . 11544 1 631 . 1 1 87 87 LEU N N 15 113.388 0.3 . 1 . . . A 87 LEU N . 11544 1 632 . 1 1 88 88 PRO HA H 1 4.170 0.03 . 1 . . . A 88 PRO HA . 11544 1 633 . 1 1 88 88 PRO HB2 H 1 1.843 0.03 . 2 . . . A 88 PRO HB2 . 11544 1 634 . 1 1 88 88 PRO HB3 H 1 2.320 0.03 . 2 . . . A 88 PRO HB3 . 11544 1 635 . 1 1 88 88 PRO HG2 H 1 2.054 0.03 . 2 . . . A 88 PRO HG2 . 11544 1 636 . 1 1 88 88 PRO HG3 H 1 1.845 0.03 . 2 . . . A 88 PRO HG3 . 11544 1 637 . 1 1 88 88 PRO C C 13 178.861 0.100 . 1 . . . A 88 PRO C . 11544 1 638 . 1 1 88 88 PRO CA C 13 66.209 0.100 . 1 . . . A 88 PRO CA . 11544 1 639 . 1 1 88 88 PRO CB C 13 30.743 0.100 . 1 . . . A 88 PRO CB . 11544 1 640 . 1 1 88 88 PRO CG C 13 28.620 0.100 . 1 . . . A 88 PRO CG . 11544 1 641 . 1 1 89 89 ALA H H 1 6.532 0.03 . 1 . . . A 89 ALA H . 11544 1 642 . 1 1 89 89 ALA HA H 1 4.072 0.03 . 1 . . . A 89 ALA HA . 11544 1 643 . 1 1 89 89 ALA HB1 H 1 1.330 0.03 . 1 . . . A 89 ALA HB1 . 11544 1 644 . 1 1 89 89 ALA HB2 H 1 1.330 0.03 . 1 . . . A 89 ALA HB2 . 11544 1 645 . 1 1 89 89 ALA HB3 H 1 1.330 0.03 . 1 . . . A 89 ALA HB3 . 11544 1 646 . 1 1 89 89 ALA C C 13 179.839 0.100 . 1 . . . A 89 ALA C . 11544 1 647 . 1 1 89 89 ALA CA C 13 54.576 0.100 . 1 . . . A 89 ALA CA . 11544 1 648 . 1 1 89 89 ALA CB C 13 19.335 0.100 . 1 . . . A 89 ALA CB . 11544 1 649 . 1 1 89 89 ALA N N 15 118.555 0.3 . 1 . . . A 89 ALA N . 11544 1 650 . 1 1 90 90 LEU H H 1 8.166 0.03 . 1 . . . A 90 LEU H . 11544 1 651 . 1 1 90 90 LEU HA H 1 3.920 0.03 . 1 . . . A 90 LEU HA . 11544 1 652 . 1 1 90 90 LEU HB2 H 1 1.175 0.03 . 2 . . . A 90 LEU HB2 . 11544 1 653 . 1 1 90 90 LEU HB3 H 1 1.973 0.03 . 2 . . . A 90 LEU HB3 . 11544 1 654 . 1 1 90 90 LEU HG H 1 1.693 0.03 . 1 . . . A 90 LEU HG . 11544 1 655 . 1 1 90 90 LEU HD11 H 1 0.830 0.03 . 2 . . . A 90 LEU HD11 . 11544 1 656 . 1 1 90 90 LEU HD12 H 1 0.830 0.03 . 2 . . . A 90 LEU HD12 . 11544 1 657 . 1 1 90 90 LEU HD13 H 1 0.830 0.03 . 2 . . . A 90 LEU HD13 . 11544 1 658 . 1 1 90 90 LEU HD21 H 1 0.564 0.03 . 2 . . . A 90 LEU HD21 . 11544 1 659 . 1 1 90 90 LEU HD22 H 1 0.564 0.03 . 2 . . . A 90 LEU HD22 . 11544 1 660 . 1 1 90 90 LEU HD23 H 1 0.564 0.03 . 2 . . . A 90 LEU HD23 . 11544 1 661 . 1 1 90 90 LEU C C 13 178.502 0.100 . 1 . . . A 90 LEU C . 11544 1 662 . 1 1 90 90 LEU CA C 13 57.976 0.100 . 1 . . . A 90 LEU CA . 11544 1 663 . 1 1 90 90 LEU CB C 13 42.310 0.100 . 1 . . . A 90 LEU CB . 11544 1 664 . 1 1 90 90 LEU CG C 13 26.580 0.100 . 1 . . . A 90 LEU CG . 11544 1 665 . 1 1 90 90 LEU CD1 C 13 25.626 0.100 . 2 . . . A 90 LEU CD1 . 11544 1 666 . 1 1 90 90 LEU CD2 C 13 25.645 0.100 . 2 . . . A 90 LEU CD2 . 11544 1 667 . 1 1 90 90 LEU N N 15 118.392 0.3 . 1 . . . A 90 LEU N . 11544 1 668 . 1 1 91 91 VAL H H 1 8.184 0.03 . 1 . . . A 91 VAL H . 11544 1 669 . 1 1 91 91 VAL HA H 1 3.261 0.03 . 1 . . . A 91 VAL HA . 11544 1 670 . 1 1 91 91 VAL HB H 1 2.016 0.03 . 1 . . . A 91 VAL HB . 11544 1 671 . 1 1 91 91 VAL HG11 H 1 0.772 0.03 . 2 . . . A 91 VAL HG11 . 11544 1 672 . 1 1 91 91 VAL HG12 H 1 0.772 0.03 . 2 . . . A 91 VAL HG12 . 11544 1 673 . 1 1 91 91 VAL HG13 H 1 0.772 0.03 . 2 . . . A 91 VAL HG13 . 11544 1 674 . 1 1 91 91 VAL HG21 H 1 0.695 0.03 . 2 . . . A 91 VAL HG21 . 11544 1 675 . 1 1 91 91 VAL HG22 H 1 0.695 0.03 . 2 . . . A 91 VAL HG22 . 11544 1 676 . 1 1 91 91 VAL HG23 H 1 0.695 0.03 . 2 . . . A 91 VAL HG23 . 11544 1 677 . 1 1 91 91 VAL C C 13 179.812 0.100 . 1 . . . A 91 VAL C . 11544 1 678 . 1 1 91 91 VAL CA C 13 66.794 0.100 . 1 . . . A 91 VAL CA . 11544 1 679 . 1 1 91 91 VAL CB C 13 31.034 0.100 . 1 . . . A 91 VAL CB . 11544 1 680 . 1 1 91 91 VAL CG1 C 13 23.858 0.100 . 2 . . . A 91 VAL CG1 . 11544 1 681 . 1 1 91 91 VAL CG2 C 13 23.846 0.100 . 2 . . . A 91 VAL CG2 . 11544 1 682 . 1 1 91 91 VAL N N 15 116.350 0.3 . 1 . . . A 91 VAL N . 11544 1 683 . 1 1 92 92 GLN H H 1 7.661 0.03 . 1 . . . A 92 GLN H . 11544 1 684 . 1 1 92 92 GLN HA H 1 3.964 0.03 . 1 . . . A 92 GLN HA . 11544 1 685 . 1 1 92 92 GLN HB2 H 1 2.111 0.03 . 2 . . . A 92 GLN HB2 . 11544 1 686 . 1 1 92 92 GLN HB3 H 1 2.129 0.03 . 2 . . . A 92 GLN HB3 . 11544 1 687 . 1 1 92 92 GLN HG2 H 1 2.391 0.03 . 2 . . . A 92 GLN HG2 . 11544 1 688 . 1 1 92 92 GLN HG3 H 1 2.406 0.03 . 2 . . . A 92 GLN HG3 . 11544 1 689 . 1 1 92 92 GLN HE21 H 1 6.702 0.03 . 1 . . . A 92 GLN HE21 . 11544 1 690 . 1 1 92 92 GLN HE22 H 1 7.315 0.03 . 1 . . . A 92 GLN HE22 . 11544 1 691 . 1 1 92 92 GLN C C 13 178.771 0.100 . 1 . . . A 92 GLN C . 11544 1 692 . 1 1 92 92 GLN CA C 13 58.768 0.100 . 1 . . . A 92 GLN CA . 11544 1 693 . 1 1 92 92 GLN CB C 13 28.089 0.100 . 1 . . . A 92 GLN CB . 11544 1 694 . 1 1 92 92 GLN CG C 13 33.963 0.100 . 1 . . . A 92 GLN CG . 11544 1 695 . 1 1 92 92 GLN N N 15 120.149 0.3 . 1 . . . A 92 GLN N . 11544 1 696 . 1 1 92 92 GLN NE2 N 15 111.807 0.3 . 1 . . . A 92 GLN NE2 . 11544 1 697 . 1 1 93 93 LEU H H 1 7.420 0.03 . 1 . . . A 93 LEU H . 11544 1 698 . 1 1 93 93 LEU HA H 1 4.043 0.03 . 1 . . . A 93 LEU HA . 11544 1 699 . 1 1 93 93 LEU HB2 H 1 1.321 0.03 . 2 . . . A 93 LEU HB2 . 11544 1 700 . 1 1 93 93 LEU HB3 H 1 1.990 0.03 . 2 . . . A 93 LEU HB3 . 11544 1 701 . 1 1 93 93 LEU HG H 1 1.651 0.03 . 1 . . . A 93 LEU HG . 11544 1 702 . 1 1 93 93 LEU HD21 H 1 0.924 0.03 . 1 . . . A 93 LEU HD21 . 11544 1 703 . 1 1 93 93 LEU HD22 H 1 0.924 0.03 . 1 . . . A 93 LEU HD22 . 11544 1 704 . 1 1 93 93 LEU HD23 H 1 0.924 0.03 . 1 . . . A 93 LEU HD23 . 11544 1 705 . 1 1 93 93 LEU C C 13 177.682 0.100 . 1 . . . A 93 LEU C . 11544 1 706 . 1 1 93 93 LEU CA C 13 56.610 0.100 . 1 . . . A 93 LEU CA . 11544 1 707 . 1 1 93 93 LEU CB C 13 41.278 0.100 . 1 . . . A 93 LEU CB . 11544 1 708 . 1 1 93 93 LEU CG C 13 27.418 0.100 . 1 . . . A 93 LEU CG . 11544 1 709 . 1 1 93 93 LEU CD2 C 13 22.577 0.100 . 1 . . . A 93 LEU CD2 . 11544 1 710 . 1 1 93 93 LEU N N 15 118.742 0.3 . 1 . . . A 93 LEU N . 11544 1 711 . 1 1 94 94 LEU H H 1 7.435 0.03 . 1 . . . A 94 LEU H . 11544 1 712 . 1 1 94 94 LEU HA H 1 4.204 0.03 . 1 . . . A 94 LEU HA . 11544 1 713 . 1 1 94 94 LEU HB2 H 1 1.933 0.03 . 2 . . . A 94 LEU HB2 . 11544 1 714 . 1 1 94 94 LEU HB3 H 1 1.427 0.03 . 2 . . . A 94 LEU HB3 . 11544 1 715 . 1 1 94 94 LEU HG H 1 2.040 0.03 . 1 . . . A 94 LEU HG . 11544 1 716 . 1 1 94 94 LEU HD11 H 1 0.652 0.03 . 1 . . . A 94 LEU HD11 . 11544 1 717 . 1 1 94 94 LEU HD12 H 1 0.652 0.03 . 1 . . . A 94 LEU HD12 . 11544 1 718 . 1 1 94 94 LEU HD13 H 1 0.652 0.03 . 1 . . . A 94 LEU HD13 . 11544 1 719 . 1 1 94 94 LEU C C 13 176.496 0.100 . 1 . . . A 94 LEU C . 11544 1 720 . 1 1 94 94 LEU CA C 13 56.030 0.100 . 1 . . . A 94 LEU CA . 11544 1 721 . 1 1 94 94 LEU CB C 13 40.178 0.100 . 1 . . . A 94 LEU CB . 11544 1 722 . 1 1 94 94 LEU CG C 13 26.069 0.100 . 1 . . . A 94 LEU CG . 11544 1 723 . 1 1 94 94 LEU CD1 C 13 22.629 0.100 . 1 . . . A 94 LEU CD1 . 11544 1 724 . 1 1 94 94 LEU N N 15 116.258 0.3 . 1 . . . A 94 LEU N . 11544 1 725 . 1 1 95 95 SER H H 1 7.288 0.03 . 1 . . . A 95 SER H . 11544 1 726 . 1 1 95 95 SER HA H 1 4.530 0.03 . 1 . . . A 95 SER HA . 11544 1 727 . 1 1 95 95 SER HB2 H 1 3.913 0.03 . 2 . . . A 95 SER HB2 . 11544 1 728 . 1 1 95 95 SER HB3 H 1 3.948 0.03 . 2 . . . A 95 SER HB3 . 11544 1 729 . 1 1 95 95 SER C C 13 174.281 0.100 . 1 . . . A 95 SER C . 11544 1 730 . 1 1 95 95 SER CA C 13 57.554 0.100 . 1 . . . A 95 SER CA . 11544 1 731 . 1 1 95 95 SER CB C 13 63.762 0.100 . 1 . . . A 95 SER CB . 11544 1 732 . 1 1 95 95 SER N N 15 110.771 0.3 . 1 . . . A 95 SER N . 11544 1 733 . 1 1 96 96 SER H H 1 7.442 0.03 . 1 . . . A 96 SER H . 11544 1 734 . 1 1 96 96 SER HA H 1 4.424 0.03 . 1 . . . A 96 SER HA . 11544 1 735 . 1 1 96 96 SER HB2 H 1 4.072 0.03 . 2 . . . A 96 SER HB2 . 11544 1 736 . 1 1 96 96 SER HB3 H 1 4.081 0.03 . 2 . . . A 96 SER HB3 . 11544 1 737 . 1 1 96 96 SER CA C 13 56.800 0.100 . 1 . . . A 96 SER CA . 11544 1 738 . 1 1 96 96 SER CB C 13 64.905 0.100 . 1 . . . A 96 SER CB . 11544 1 739 . 1 1 96 96 SER N N 15 118.412 0.3 . 1 . . . A 96 SER N . 11544 1 740 . 1 1 97 97 PRO HA H 1 4.345 0.03 . 1 . . . A 97 PRO HA . 11544 1 741 . 1 1 97 97 PRO HB2 H 1 1.973 0.03 . 2 . . . A 97 PRO HB2 . 11544 1 742 . 1 1 97 97 PRO HB3 H 1 2.219 0.03 . 2 . . . A 97 PRO HB3 . 11544 1 743 . 1 1 97 97 PRO HG2 H 1 1.989 0.03 . 2 . . . A 97 PRO HG2 . 11544 1 744 . 1 1 97 97 PRO HG3 H 1 1.907 0.03 . 2 . . . A 97 PRO HG3 . 11544 1 745 . 1 1 97 97 PRO HD2 H 1 3.781 0.03 . 2 . . . A 97 PRO HD2 . 11544 1 746 . 1 1 97 97 PRO HD3 H 1 3.799 0.03 . 2 . . . A 97 PRO HD3 . 11544 1 747 . 1 1 97 97 PRO C C 13 176.399 0.100 . 1 . . . A 97 PRO C . 11544 1 748 . 1 1 97 97 PRO CA C 13 63.124 0.100 . 1 . . . A 97 PRO CA . 11544 1 749 . 1 1 97 97 PRO CB C 13 31.810 0.100 . 1 . . . A 97 PRO CB . 11544 1 750 . 1 1 97 97 PRO CG C 13 26.722 0.100 . 1 . . . A 97 PRO CG . 11544 1 751 . 1 1 97 97 PRO CD C 13 50.717 0.100 . 1 . . . A 97 PRO CD . 11544 1 752 . 1 1 98 98 ASN H H 1 8.184 0.03 . 1 . . . A 98 ASN H . 11544 1 753 . 1 1 98 98 ASN HA H 1 4.604 0.03 . 1 . . . A 98 ASN HA . 11544 1 754 . 1 1 98 98 ASN HB2 H 1 2.567 0.03 . 2 . . . A 98 ASN HB2 . 11544 1 755 . 1 1 98 98 ASN HB3 H 1 2.963 0.03 . 2 . . . A 98 ASN HB3 . 11544 1 756 . 1 1 98 98 ASN HD21 H 1 7.044 0.03 . 1 . . . A 98 ASN HD21 . 11544 1 757 . 1 1 98 98 ASN HD22 H 1 7.664 0.03 . 1 . . . A 98 ASN HD22 . 11544 1 758 . 1 1 98 98 ASN C C 13 175.066 0.100 . 1 . . . A 98 ASN C . 11544 1 759 . 1 1 98 98 ASN CA C 13 52.456 0.100 . 1 . . . A 98 ASN CA . 11544 1 760 . 1 1 98 98 ASN CB C 13 38.662 0.100 . 1 . . . A 98 ASN CB . 11544 1 761 . 1 1 98 98 ASN N N 15 120.061 0.3 . 1 . . . A 98 ASN N . 11544 1 762 . 1 1 98 98 ASN ND2 N 15 113.506 0.3 . 1 . . . A 98 ASN ND2 . 11544 1 763 . 1 1 99 99 GLU H H 1 8.826 0.03 . 1 . . . A 99 GLU H . 11544 1 764 . 1 1 99 99 GLU HA H 1 3.850 0.03 . 1 . . . A 99 GLU HA . 11544 1 765 . 1 1 99 99 GLU HB2 H 1 1.967 0.03 . 2 . . . A 99 GLU HB2 . 11544 1 766 . 1 1 99 99 GLU HB3 H 1 1.946 0.03 . 2 . . . A 99 GLU HB3 . 11544 1 767 . 1 1 99 99 GLU HG2 H 1 2.338 0.03 . 2 . . . A 99 GLU HG2 . 11544 1 768 . 1 1 99 99 GLU HG3 H 1 2.122 0.03 . 2 . . . A 99 GLU HG3 . 11544 1 769 . 1 1 99 99 GLU C C 13 177.831 0.100 . 1 . . . A 99 GLU C . 11544 1 770 . 1 1 99 99 GLU CA C 13 59.785 0.100 . 1 . . . A 99 GLU CA . 11544 1 771 . 1 1 99 99 GLU CB C 13 29.876 0.100 . 1 . . . A 99 GLU CB . 11544 1 772 . 1 1 99 99 GLU CG C 13 37.387 0.100 . 1 . . . A 99 GLU CG . 11544 1 773 . 1 1 99 99 GLU N N 15 125.999 0.3 . 1 . . . A 99 GLU N . 11544 1 774 . 1 1 100 100 GLN H H 1 8.074 0.03 . 1 . . . A 100 GLN H . 11544 1 775 . 1 1 100 100 GLN HA H 1 4.052 0.03 . 1 . . . A 100 GLN HA . 11544 1 776 . 1 1 100 100 GLN HB2 H 1 2.071 0.03 . 2 . . . A 100 GLN HB2 . 11544 1 777 . 1 1 100 100 GLN HB3 H 1 2.119 0.03 . 2 . . . A 100 GLN HB3 . 11544 1 778 . 1 1 100 100 GLN HG2 H 1 2.335 0.03 . 2 . . . A 100 GLN HG2 . 11544 1 779 . 1 1 100 100 GLN HG3 H 1 2.360 0.03 . 2 . . . A 100 GLN HG3 . 11544 1 780 . 1 1 100 100 GLN HE21 H 1 6.710 0.03 . 1 . . . A 100 GLN HE21 . 11544 1 781 . 1 1 100 100 GLN HE22 H 1 7.621 0.03 . 1 . . . A 100 GLN HE22 . 11544 1 782 . 1 1 100 100 GLN C C 13 178.500 0.100 . 1 . . . A 100 GLN C . 11544 1 783 . 1 1 100 100 GLN CA C 13 59.257 0.100 . 1 . . . A 100 GLN CA . 11544 1 784 . 1 1 100 100 GLN CB C 13 28.108 0.100 . 1 . . . A 100 GLN CB . 11544 1 785 . 1 1 100 100 GLN CG C 13 34.394 0.100 . 1 . . . A 100 GLN CG . 11544 1 786 . 1 1 100 100 GLN N N 15 119.108 0.3 . 1 . . . A 100 GLN N . 11544 1 787 . 1 1 100 100 GLN NE2 N 15 112.192 0.3 . 1 . . . A 100 GLN NE2 . 11544 1 788 . 1 1 101 101 ILE H H 1 7.169 0.03 . 1 . . . A 101 ILE H . 11544 1 789 . 1 1 101 101 ILE HA H 1 3.468 0.03 . 1 . . . A 101 ILE HA . 11544 1 790 . 1 1 101 101 ILE HB H 1 2.003 0.03 . 1 . . . A 101 ILE HB . 11544 1 791 . 1 1 101 101 ILE HG13 H 1 0.918 0.03 . 1 . . . A 101 ILE HG13 . 11544 1 792 . 1 1 101 101 ILE HG21 H 1 0.859 0.03 . 1 . . . A 101 ILE HG21 . 11544 1 793 . 1 1 101 101 ILE HG22 H 1 0.859 0.03 . 1 . . . A 101 ILE HG22 . 11544 1 794 . 1 1 101 101 ILE HG23 H 1 0.859 0.03 . 1 . . . A 101 ILE HG23 . 11544 1 795 . 1 1 101 101 ILE HD11 H 1 0.784 0.03 . 1 . . . A 101 ILE HD11 . 11544 1 796 . 1 1 101 101 ILE HD12 H 1 0.784 0.03 . 1 . . . A 101 ILE HD12 . 11544 1 797 . 1 1 101 101 ILE HD13 H 1 0.784 0.03 . 1 . . . A 101 ILE HD13 . 11544 1 798 . 1 1 101 101 ILE C C 13 176.899 0.100 . 1 . . . A 101 ILE C . 11544 1 799 . 1 1 101 101 ILE CA C 13 64.053 0.100 . 1 . . . A 101 ILE CA . 11544 1 800 . 1 1 101 101 ILE CB C 13 37.103 0.100 . 1 . . . A 101 ILE CB . 11544 1 801 . 1 1 101 101 ILE CG1 C 13 29.050 0.100 . 1 . . . A 101 ILE CG1 . 11544 1 802 . 1 1 101 101 ILE CG2 C 13 18.017 0.100 . 1 . . . A 101 ILE CG2 . 11544 1 803 . 1 1 101 101 ILE CD1 C 13 12.193 0.100 . 1 . . . A 101 ILE CD1 . 11544 1 804 . 1 1 101 101 ILE N N 15 121.213 0.3 . 1 . . . A 101 ILE N . 11544 1 805 . 1 1 102 102 LEU H H 1 8.045 0.03 . 1 . . . A 102 LEU H . 11544 1 806 . 1 1 102 102 LEU HA H 1 3.891 0.03 . 1 . . . A 102 LEU HA . 11544 1 807 . 1 1 102 102 LEU HB2 H 1 1.479 0.03 . 2 . . . A 102 LEU HB2 . 11544 1 808 . 1 1 102 102 LEU HB3 H 1 1.785 0.03 . 2 . . . A 102 LEU HB3 . 11544 1 809 . 1 1 102 102 LEU HG H 1 1.745 0.03 . 1 . . . A 102 LEU HG . 11544 1 810 . 1 1 102 102 LEU HD11 H 1 0.894 0.03 . 2 . . . A 102 LEU HD11 . 11544 1 811 . 1 1 102 102 LEU HD12 H 1 0.894 0.03 . 2 . . . A 102 LEU HD12 . 11544 1 812 . 1 1 102 102 LEU HD13 H 1 0.894 0.03 . 2 . . . A 102 LEU HD13 . 11544 1 813 . 1 1 102 102 LEU HD21 H 1 0.934 0.03 . 2 . . . A 102 LEU HD21 . 11544 1 814 . 1 1 102 102 LEU HD22 H 1 0.934 0.03 . 2 . . . A 102 LEU HD22 . 11544 1 815 . 1 1 102 102 LEU HD23 H 1 0.934 0.03 . 2 . . . A 102 LEU HD23 . 11544 1 816 . 1 1 102 102 LEU C C 13 178.805 0.100 . 1 . . . A 102 LEU C . 11544 1 817 . 1 1 102 102 LEU CA C 13 59.066 0.100 . 1 . . . A 102 LEU CA . 11544 1 818 . 1 1 102 102 LEU CB C 13 43.313 0.100 . 1 . . . A 102 LEU CB . 11544 1 819 . 1 1 102 102 LEU CG C 13 28.009 0.100 . 1 . . . A 102 LEU CG . 11544 1 820 . 1 1 102 102 LEU CD1 C 13 24.733 0.100 . 2 . . . A 102 LEU CD1 . 11544 1 821 . 1 1 102 102 LEU CD2 C 13 26.219 0.100 . 2 . . . A 102 LEU CD2 . 11544 1 822 . 1 1 102 102 LEU N N 15 120.515 0.3 . 1 . . . A 102 LEU N . 11544 1 823 . 1 1 103 103 GLN H H 1 7.970 0.03 . 1 . . . A 103 GLN H . 11544 1 824 . 1 1 103 103 GLN HA H 1 3.544 0.03 . 1 . . . A 103 GLN HA . 11544 1 825 . 1 1 103 103 GLN HB2 H 1 1.853 0.03 . 2 . . . A 103 GLN HB2 . 11544 1 826 . 1 1 103 103 GLN HB3 H 1 1.922 0.03 . 2 . . . A 103 GLN HB3 . 11544 1 827 . 1 1 103 103 GLN HG2 H 1 1.836 0.03 . 2 . . . A 103 GLN HG2 . 11544 1 828 . 1 1 103 103 GLN HG3 H 1 1.936 0.03 . 2 . . . A 103 GLN HG3 . 11544 1 829 . 1 1 103 103 GLN HE21 H 1 6.444 0.03 . 1 . . . A 103 GLN HE21 . 11544 1 830 . 1 1 103 103 GLN HE22 H 1 7.139 0.03 . 1 . . . A 103 GLN HE22 . 11544 1 831 . 1 1 103 103 GLN C C 13 177.670 0.100 . 1 . . . A 103 GLN C . 11544 1 832 . 1 1 103 103 GLN CA C 13 59.763 0.100 . 1 . . . A 103 GLN CA . 11544 1 833 . 1 1 103 103 GLN CB C 13 28.827 0.100 . 1 . . . A 103 GLN CB . 11544 1 834 . 1 1 103 103 GLN CG C 13 34.631 0.100 . 1 . . . A 103 GLN CG . 11544 1 835 . 1 1 103 103 GLN N N 15 115.716 0.3 . 1 . . . A 103 GLN N . 11544 1 836 . 1 1 103 103 GLN NE2 N 15 110.271 0.3 . 1 . . . A 103 GLN NE2 . 11544 1 837 . 1 1 104 104 GLU H H 1 7.611 0.03 . 1 . . . A 104 GLU H . 11544 1 838 . 1 1 104 104 GLU HA H 1 4.116 0.03 . 1 . . . A 104 GLU HA . 11544 1 839 . 1 1 104 104 GLU HB2 H 1 1.998 0.03 . 2 . . . A 104 GLU HB2 . 11544 1 840 . 1 1 104 104 GLU HB3 H 1 2.056 0.03 . 2 . . . A 104 GLU HB3 . 11544 1 841 . 1 1 104 104 GLU HG2 H 1 2.298 0.03 . 2 . . . A 104 GLU HG2 . 11544 1 842 . 1 1 104 104 GLU HG3 H 1 2.356 0.03 . 2 . . . A 104 GLU HG3 . 11544 1 843 . 1 1 104 104 GLU C C 13 179.213 0.100 . 1 . . . A 104 GLU C . 11544 1 844 . 1 1 104 104 GLU CA C 13 58.996 0.100 . 1 . . . A 104 GLU CA . 11544 1 845 . 1 1 104 104 GLU CB C 13 29.456 0.100 . 1 . . . A 104 GLU CB . 11544 1 846 . 1 1 104 104 GLU CG C 13 35.990 0.100 . 1 . . . A 104 GLU CG . 11544 1 847 . 1 1 104 104 GLU N N 15 118.694 0.3 . 1 . . . A 104 GLU N . 11544 1 848 . 1 1 105 105 ALA H H 1 8.694 0.03 . 1 . . . A 105 ALA H . 11544 1 849 . 1 1 105 105 ALA HA H 1 3.956 0.03 . 1 . . . A 105 ALA HA . 11544 1 850 . 1 1 105 105 ALA HB1 H 1 1.377 0.03 . 1 . . . A 105 ALA HB1 . 11544 1 851 . 1 1 105 105 ALA HB2 H 1 1.377 0.03 . 1 . . . A 105 ALA HB2 . 11544 1 852 . 1 1 105 105 ALA HB3 H 1 1.377 0.03 . 1 . . . A 105 ALA HB3 . 11544 1 853 . 1 1 105 105 ALA C C 13 179.055 0.100 . 1 . . . A 105 ALA C . 11544 1 854 . 1 1 105 105 ALA CA C 13 55.513 0.100 . 1 . . . A 105 ALA CA . 11544 1 855 . 1 1 105 105 ALA CB C 13 18.333 0.100 . 1 . . . A 105 ALA CB . 11544 1 856 . 1 1 105 105 ALA N N 15 123.471 0.3 . 1 . . . A 105 ALA N . 11544 1 857 . 1 1 106 106 LEU H H 1 8.351 0.03 . 1 . . . A 106 LEU H . 11544 1 858 . 1 1 106 106 LEU HA H 1 3.838 0.03 . 1 . . . A 106 LEU HA . 11544 1 859 . 1 1 106 106 LEU HB2 H 1 1.622 0.03 . 1 . . . A 106 LEU HB2 . 11544 1 860 . 1 1 106 106 LEU HG H 1 1.523 0.03 . 1 . . . A 106 LEU HG . 11544 1 861 . 1 1 106 106 LEU C C 13 178.843 0.100 . 1 . . . A 106 LEU C . 11544 1 862 . 1 1 106 106 LEU CA C 13 58.099 0.100 . 1 . . . A 106 LEU CA . 11544 1 863 . 1 1 106 106 LEU CB C 13 41.999 0.100 . 1 . . . A 106 LEU CB . 11544 1 864 . 1 1 106 106 LEU CG C 13 26.958 0.100 . 1 . . . A 106 LEU CG . 11544 1 865 . 1 1 106 106 LEU N N 15 118.884 0.3 . 1 . . . A 106 LEU N . 11544 1 866 . 1 1 107 107 TRP H H 1 8.381 0.03 . 1 . . . A 107 TRP H . 11544 1 867 . 1 1 107 107 TRP HA H 1 4.406 0.03 . 1 . . . A 107 TRP HA . 11544 1 868 . 1 1 107 107 TRP HB2 H 1 3.270 0.03 . 2 . . . A 107 TRP HB2 . 11544 1 869 . 1 1 107 107 TRP HB3 H 1 3.394 0.03 . 2 . . . A 107 TRP HB3 . 11544 1 870 . 1 1 107 107 TRP HE1 H 1 10.001 0.03 . 1 . . . A 107 TRP HE1 . 11544 1 871 . 1 1 107 107 TRP C C 13 178.806 0.100 . 1 . . . A 107 TRP C . 11544 1 872 . 1 1 107 107 TRP CA C 13 59.919 0.100 . 1 . . . A 107 TRP CA . 11544 1 873 . 1 1 107 107 TRP CB C 13 28.786 0.100 . 1 . . . A 107 TRP CB . 11544 1 874 . 1 1 107 107 TRP N N 15 121.423 0.3 . 1 . . . A 107 TRP N . 11544 1 875 . 1 1 107 107 TRP NE1 N 15 128.855 0.3 . 1 . . . A 107 TRP NE1 . 11544 1 876 . 1 1 108 108 ALA H H 1 8.120 0.03 . 1 . . . A 108 ALA H . 11544 1 877 . 1 1 108 108 ALA HA H 1 3.942 0.03 . 1 . . . A 108 ALA HA . 11544 1 878 . 1 1 108 108 ALA HB1 H 1 1.362 0.03 . 1 . . . A 108 ALA HB1 . 11544 1 879 . 1 1 108 108 ALA HB2 H 1 1.362 0.03 . 1 . . . A 108 ALA HB2 . 11544 1 880 . 1 1 108 108 ALA HB3 H 1 1.362 0.03 . 1 . . . A 108 ALA HB3 . 11544 1 881 . 1 1 108 108 ALA C C 13 179.683 0.100 . 1 . . . A 108 ALA C . 11544 1 882 . 1 1 108 108 ALA CA C 13 55.576 0.100 . 1 . . . A 108 ALA CA . 11544 1 883 . 1 1 108 108 ALA CB C 13 17.600 0.100 . 1 . . . A 108 ALA CB . 11544 1 884 . 1 1 108 108 ALA N N 15 121.259 0.3 . 1 . . . A 108 ALA N . 11544 1 885 . 1 1 109 109 LEU H H 1 8.305 0.03 . 1 . . . A 109 LEU H . 11544 1 886 . 1 1 109 109 LEU HA H 1 3.678 0.03 . 1 . . . A 109 LEU HA . 11544 1 887 . 1 1 109 109 LEU HB2 H 1 1.761 0.03 . 2 . . . A 109 LEU HB2 . 11544 1 888 . 1 1 109 109 LEU HB3 H 1 1.411 0.03 . 2 . . . A 109 LEU HB3 . 11544 1 889 . 1 1 109 109 LEU HG H 1 1.626 0.03 . 1 . . . A 109 LEU HG . 11544 1 890 . 1 1 109 109 LEU HD21 H 1 0.703 0.03 . 1 . . . A 109 LEU HD21 . 11544 1 891 . 1 1 109 109 LEU HD22 H 1 0.703 0.03 . 1 . . . A 109 LEU HD22 . 11544 1 892 . 1 1 109 109 LEU HD23 H 1 0.703 0.03 . 1 . . . A 109 LEU HD23 . 11544 1 893 . 1 1 109 109 LEU C C 13 178.478 0.100 . 1 . . . A 109 LEU C . 11544 1 894 . 1 1 109 109 LEU CA C 13 58.334 0.100 . 1 . . . A 109 LEU CA . 11544 1 895 . 1 1 109 109 LEU CB C 13 42.421 0.100 . 1 . . . A 109 LEU CB . 11544 1 896 . 1 1 109 109 LEU CG C 13 26.967 0.100 . 1 . . . A 109 LEU CG . 11544 1 897 . 1 1 109 109 LEU CD2 C 13 24.879 0.100 . 1 . . . A 109 LEU CD2 . 11544 1 898 . 1 1 109 109 LEU N N 15 117.266 0.3 . 1 . . . A 109 LEU N . 11544 1 899 . 1 1 110 110 SER H H 1 8.644 0.03 . 1 . . . A 110 SER H . 11544 1 900 . 1 1 110 110 SER HA H 1 3.851 0.03 . 1 . . . A 110 SER HA . 11544 1 901 . 1 1 110 110 SER HB2 H 1 4.078 0.03 . 2 . . . A 110 SER HB2 . 11544 1 902 . 1 1 110 110 SER HB3 H 1 3.841 0.03 . 2 . . . A 110 SER HB3 . 11544 1 903 . 1 1 110 110 SER C C 13 176.906 0.100 . 1 . . . A 110 SER C . 11544 1 904 . 1 1 110 110 SER CA C 13 61.886 0.100 . 1 . . . A 110 SER CA . 11544 1 905 . 1 1 110 110 SER CB C 13 62.979 0.100 . 1 . . . A 110 SER CB . 11544 1 906 . 1 1 110 110 SER N N 15 114.672 0.3 . 1 . . . A 110 SER N . 11544 1 907 . 1 1 111 111 ASN H H 1 7.871 0.03 . 1 . . . A 111 ASN H . 11544 1 908 . 1 1 111 111 ASN HA H 1 4.183 0.03 . 1 . . . A 111 ASN HA . 11544 1 909 . 1 1 111 111 ASN HB2 H 1 2.383 0.03 . 2 . . . A 111 ASN HB2 . 11544 1 910 . 1 1 111 111 ASN HB3 H 1 2.485 0.03 . 2 . . . A 111 ASN HB3 . 11544 1 911 . 1 1 111 111 ASN HD21 H 1 6.782 0.03 . 1 . . . A 111 ASN HD21 . 11544 1 912 . 1 1 111 111 ASN HD22 H 1 6.782 0.03 . 1 . . . A 111 ASN HD22 . 11544 1 913 . 1 1 111 111 ASN C C 13 177.550 0.100 . 1 . . . A 111 ASN C . 11544 1 914 . 1 1 111 111 ASN CA C 13 56.082 0.100 . 1 . . . A 111 ASN CA . 11544 1 915 . 1 1 111 111 ASN CB C 13 38.144 0.100 . 1 . . . A 111 ASN CB . 11544 1 916 . 1 1 111 111 ASN N N 15 119.625 0.3 . 1 . . . A 111 ASN N . 11544 1 917 . 1 1 111 111 ASN ND2 N 15 110.655 0.3 . 1 . . . A 111 ASN ND2 . 11544 1 918 . 1 1 112 112 ILE H H 1 7.786 0.03 . 1 . . . A 112 ILE H . 11544 1 919 . 1 1 112 112 ILE HA H 1 3.577 0.03 . 1 . . . A 112 ILE HA . 11544 1 920 . 1 1 112 112 ILE HB H 1 1.766 0.03 . 1 . . . A 112 ILE HB . 11544 1 921 . 1 1 112 112 ILE HG12 H 1 1.443 0.03 . 1 . . . A 112 ILE HG12 . 11544 1 922 . 1 1 112 112 ILE HG21 H 1 0.650 0.03 . 1 . . . A 112 ILE HG21 . 11544 1 923 . 1 1 112 112 ILE HG22 H 1 0.650 0.03 . 1 . . . A 112 ILE HG22 . 11544 1 924 . 1 1 112 112 ILE HG23 H 1 0.650 0.03 . 1 . . . A 112 ILE HG23 . 11544 1 925 . 1 1 112 112 ILE HD11 H 1 0.499 0.03 . 1 . . . A 112 ILE HD11 . 11544 1 926 . 1 1 112 112 ILE HD12 H 1 0.499 0.03 . 1 . . . A 112 ILE HD12 . 11544 1 927 . 1 1 112 112 ILE HD13 H 1 0.499 0.03 . 1 . . . A 112 ILE HD13 . 11544 1 928 . 1 1 112 112 ILE C C 13 176.110 0.100 . 1 . . . A 112 ILE C . 11544 1 929 . 1 1 112 112 ILE CA C 13 64.820 0.100 . 1 . . . A 112 ILE CA . 11544 1 930 . 1 1 112 112 ILE CB C 13 37.984 0.100 . 1 . . . A 112 ILE CB . 11544 1 931 . 1 1 112 112 ILE CG1 C 13 29.694 0.100 . 1 . . . A 112 ILE CG1 . 11544 1 932 . 1 1 112 112 ILE CG2 C 13 17.052 0.100 . 1 . . . A 112 ILE CG2 . 11544 1 933 . 1 1 112 112 ILE CD1 C 13 13.490 0.100 . 1 . . . A 112 ILE CD1 . 11544 1 934 . 1 1 112 112 ILE N N 15 120.153 0.3 . 1 . . . A 112 ILE N . 11544 1 935 . 1 1 113 113 ALA H H 1 7.815 0.03 . 1 . . . A 113 ALA H . 11544 1 936 . 1 1 113 113 ALA HA H 1 3.860 0.03 . 1 . . . A 113 ALA HA . 11544 1 937 . 1 1 113 113 ALA HB1 H 1 1.202 0.03 . 1 . . . A 113 ALA HB1 . 11544 1 938 . 1 1 113 113 ALA HB2 H 1 1.202 0.03 . 1 . . . A 113 ALA HB2 . 11544 1 939 . 1 1 113 113 ALA HB3 H 1 1.202 0.03 . 1 . . . A 113 ALA HB3 . 11544 1 940 . 1 1 113 113 ALA C C 13 176.623 0.100 . 1 . . . A 113 ALA C . 11544 1 941 . 1 1 113 113 ALA CA C 13 53.051 0.100 . 1 . . . A 113 ALA CA . 11544 1 942 . 1 1 113 113 ALA CB C 13 18.214 0.100 . 1 . . . A 113 ALA CB . 11544 1 943 . 1 1 113 113 ALA N N 15 118.382 0.3 . 1 . . . A 113 ALA N . 11544 1 944 . 1 1 114 114 SER H H 1 7.410 0.03 . 1 . . . A 114 SER H . 11544 1 945 . 1 1 114 114 SER HA H 1 4.253 0.03 . 1 . . . A 114 SER HA . 11544 1 946 . 1 1 114 114 SER HB2 H 1 3.730 0.03 . 2 . . . A 114 SER HB2 . 11544 1 947 . 1 1 114 114 SER HB3 H 1 3.871 0.03 . 2 . . . A 114 SER HB3 . 11544 1 948 . 1 1 114 114 SER C C 13 174.610 0.100 . 1 . . . A 114 SER C . 11544 1 949 . 1 1 114 114 SER CA C 13 58.883 0.100 . 1 . . . A 114 SER CA . 11544 1 950 . 1 1 114 114 SER CB C 13 64.369 0.100 . 1 . . . A 114 SER CB . 11544 1 951 . 1 1 114 114 SER N N 15 110.726 0.3 . 1 . . . A 114 SER N . 11544 1 952 . 1 1 115 115 GLY H H 1 7.673 0.03 . 1 . . . A 115 GLY H . 11544 1 953 . 1 1 115 115 GLY HA2 H 1 3.594 0.03 . 2 . . . A 115 GLY HA2 . 11544 1 954 . 1 1 115 115 GLY HA3 H 1 3.700 0.03 . 2 . . . A 115 GLY HA3 . 11544 1 955 . 1 1 115 115 GLY CA C 13 46.724 0.100 . 1 . . . A 115 GLY CA . 11544 1 956 . 1 1 115 115 GLY N N 15 116.061 0.3 . 1 . . . A 115 GLY N . 11544 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11544 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 11544 2 16 '2D 1H-15N HSQC' . . . 11544 2 17 '2D 1H-13C HSQC aliphatic' . . . 11544 2 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 . 2 2 4 4 GLN H H 1 7.771 0.03 . 1 . . . B 119 GLN H . 11544 2 2 . 2 2 4 4 GLN HA H 1 3.983 0.03 . 1 . . . B 119 GLN HA . 11544 2 3 . 2 2 4 4 GLN HB2 H 1 1.916 0.03 . 1 . . . B 119 GLN HB2 . 11544 2 4 . 2 2 4 4 GLN HB3 H 1 1.916 0.03 . 1 . . . B 119 GLN HB3 . 11544 2 5 . 2 2 4 4 GLN HG2 H 1 2.292 0.03 . 2 . . . B 119 GLN HG2 . 11544 2 6 . 2 2 4 4 GLN HG3 H 1 2.292 0.03 . 2 . . . B 119 GLN HG3 . 11544 2 7 . 2 2 4 4 GLN CA C 13 60.010 0.100 . 1 . . . B 119 GLN CA . 11544 2 8 . 2 2 4 4 GLN CB C 13 27.322 0.100 . 1 . . . B 119 GLN CB . 11544 2 9 . 2 2 4 4 GLN CG C 13 36.837 0.100 . 1 . . . B 119 GLN CG . 11544 2 10 . 2 2 4 4 GLN N N 15 120.089 0.3 . 1 . . . B 119 GLN N . 11544 2 11 . 2 2 5 5 ILE H H 1 7.724 0.03 . 1 . . . B 120 ILE H . 11544 2 12 . 2 2 5 5 ILE HA H 1 3.351 0.03 . 1 . . . B 120 ILE HA . 11544 2 13 . 2 2 5 5 ILE HB H 1 1.813 0.03 . 1 . . . B 120 ILE HB . 11544 2 14 . 2 2 5 5 ILE HG12 H 1 0.863 0.03 . 2 . . . B 120 ILE HG12 . 11544 2 15 . 2 2 5 5 ILE HG13 H 1 0.840 0.03 . 2 . . . B 120 ILE HG13 . 11544 2 16 . 2 2 5 5 ILE HG21 H 1 0.903 0.03 . 1 . . . B 120 ILE HG21 . 11544 2 17 . 2 2 5 5 ILE HG22 H 1 0.903 0.03 . 1 . . . B 120 ILE HG22 . 11544 2 18 . 2 2 5 5 ILE HG23 H 1 0.903 0.03 . 1 . . . B 120 ILE HG23 . 11544 2 19 . 2 2 5 5 ILE HD11 H 1 0.806 0.03 . 1 . . . B 120 ILE HD11 . 11544 2 20 . 2 2 5 5 ILE HD12 H 1 0.806 0.03 . 1 . . . B 120 ILE HD12 . 11544 2 21 . 2 2 5 5 ILE HD13 H 1 0.806 0.03 . 1 . . . B 120 ILE HD13 . 11544 2 22 . 2 2 5 5 ILE CA C 13 65.849 0.100 . 1 . . . B 120 ILE CA . 11544 2 23 . 2 2 5 5 ILE CB C 13 37.956 0.100 . 1 . . . B 120 ILE CB . 11544 2 24 . 2 2 5 5 ILE CG1 C 13 29.819 0.007 . 1 . . . B 120 ILE CG1 . 11544 2 25 . 2 2 5 5 ILE CG2 C 13 19.488 0.100 . 1 . . . B 120 ILE CG2 . 11544 2 26 . 2 2 5 5 ILE CD1 C 13 13.381 0.100 . 1 . . . B 120 ILE CD1 . 11544 2 27 . 2 2 5 5 ILE N N 15 118.367 0.3 . 1 . . . B 120 ILE N . 11544 2 28 . 2 2 6 6 GLN H H 1 8.306 0.03 . 1 . . . B 121 GLN H . 11544 2 29 . 2 2 6 6 GLN HA H 1 3.898 0.03 . 1 . . . B 121 GLN HA . 11544 2 30 . 2 2 6 6 GLN HB2 H 1 2.026 0.03 . 2 . . . B 121 GLN HB2 . 11544 2 31 . 2 2 6 6 GLN HB3 H 1 1.965 0.03 . 2 . . . B 121 GLN HB3 . 11544 2 32 . 2 2 6 6 GLN HG2 H 1 1.826 0.03 . 2 . . . B 121 GLN HG2 . 11544 2 33 . 2 2 6 6 GLN HG3 H 1 1.955 0.03 . 2 . . . B 121 GLN HG3 . 11544 2 34 . 2 2 6 6 GLN HE21 H 1 6.994 0.03 . 1 . . . B 121 GLN HE21 . 11544 2 35 . 2 2 6 6 GLN HE22 H 1 6.455 0.03 . 1 . . . B 121 GLN HE22 . 11544 2 36 . 2 2 6 6 GLN CA C 13 58.073 0.100 . 1 . . . B 121 GLN CA . 11544 2 37 . 2 2 6 6 GLN CB C 13 27.635 0.048 . 1 . . . B 121 GLN CB . 11544 2 38 . 2 2 6 6 GLN CG C 13 33.020 0.190 . 1 . . . B 121 GLN CG . 11544 2 39 . 2 2 6 6 GLN N N 15 118.582 0.3 . 1 . . . B 121 GLN N . 11544 2 40 . 2 2 6 6 GLN NE2 N 15 109.442 0.001 . 1 . . . B 121 GLN NE2 . 11544 2 41 . 2 2 7 7 ALA H H 1 7.527 0.03 . 1 . . . B 122 ALA H . 11544 2 42 . 2 2 7 7 ALA HA H 1 4.124 0.03 . 1 . . . B 122 ALA HA . 11544 2 43 . 2 2 7 7 ALA HB1 H 1 1.438 0.03 . 1 . . . B 122 ALA HB1 . 11544 2 44 . 2 2 7 7 ALA HB2 H 1 1.438 0.03 . 1 . . . B 122 ALA HB2 . 11544 2 45 . 2 2 7 7 ALA HB3 H 1 1.438 0.03 . 1 . . . B 122 ALA HB3 . 11544 2 46 . 2 2 7 7 ALA CA C 13 55.250 0.100 . 1 . . . B 122 ALA CA . 11544 2 47 . 2 2 7 7 ALA CB C 13 17.623 0.100 . 1 . . . B 122 ALA CB . 11544 2 48 . 2 2 7 7 ALA N N 15 120.431 0.3 . 1 . . . B 122 ALA N . 11544 2 49 . 2 2 8 8 VAL H H 1 7.646 0.03 . 1 . . . B 123 VAL H . 11544 2 50 . 2 2 8 8 VAL HA H 1 3.343 0.03 . 1 . . . B 123 VAL HA . 11544 2 51 . 2 2 8 8 VAL HB H 1 2.309 0.03 . 1 . . . B 123 VAL HB . 11544 2 52 . 2 2 8 8 VAL HG11 H 1 0.707 0.03 . 2 . . . B 123 VAL HG11 . 11544 2 53 . 2 2 8 8 VAL HG12 H 1 0.707 0.03 . 2 . . . B 123 VAL HG12 . 11544 2 54 . 2 2 8 8 VAL HG13 H 1 0.707 0.03 . 2 . . . B 123 VAL HG13 . 11544 2 55 . 2 2 8 8 VAL HG21 H 1 0.927 0.03 . 2 . . . B 123 VAL HG21 . 11544 2 56 . 2 2 8 8 VAL HG22 H 1 0.927 0.03 . 2 . . . B 123 VAL HG22 . 11544 2 57 . 2 2 8 8 VAL HG23 H 1 0.927 0.03 . 2 . . . B 123 VAL HG23 . 11544 2 58 . 2 2 8 8 VAL CA C 13 67.239 0.100 . 1 . . . B 123 VAL CA . 11544 2 59 . 2 2 8 8 VAL CB C 13 31.191 0.100 . 1 . . . B 123 VAL CB . 11544 2 60 . 2 2 8 8 VAL CG1 C 13 21.620 0.100 . 2 . . . B 123 VAL CG1 . 11544 2 61 . 2 2 8 8 VAL CG2 C 13 23.199 0.100 . 2 . . . B 123 VAL CG2 . 11544 2 62 . 2 2 8 8 VAL N N 15 118.605 0.3 . 1 . . . B 123 VAL N . 11544 2 63 . 2 2 9 9 ILE H H 1 7.900 0.03 . 1 . . . B 124 ILE H . 11544 2 64 . 2 2 9 9 ILE HA H 1 3.498 0.03 . 1 . . . B 124 ILE HA . 11544 2 65 . 2 2 9 9 ILE HB H 1 1.968 0.03 . 1 . . . B 124 ILE HB . 11544 2 66 . 2 2 9 9 ILE HG21 H 1 0.872 0.03 . 1 . . . B 124 ILE HG21 . 11544 2 67 . 2 2 9 9 ILE HG22 H 1 0.872 0.03 . 1 . . . B 124 ILE HG22 . 11544 2 68 . 2 2 9 9 ILE HG23 H 1 0.872 0.03 . 1 . . . B 124 ILE HG23 . 11544 2 69 . 2 2 9 9 ILE HD11 H 1 0.757 0.03 . 1 . . . B 124 ILE HD11 . 11544 2 70 . 2 2 9 9 ILE HD12 H 1 0.757 0.03 . 1 . . . B 124 ILE HD12 . 11544 2 71 . 2 2 9 9 ILE HD13 H 1 0.757 0.03 . 1 . . . B 124 ILE HD13 . 11544 2 72 . 2 2 9 9 ILE CA C 13 65.354 0.100 . 1 . . . B 124 ILE CA . 11544 2 73 . 2 2 9 9 ILE CB C 13 37.895 0.100 . 1 . . . B 124 ILE CB . 11544 2 74 . 2 2 9 9 ILE CG2 C 13 16.386 0.100 . 1 . . . B 124 ILE CG2 . 11544 2 75 . 2 2 9 9 ILE CD1 C 13 14.112 0.100 . 1 . . . B 124 ILE CD1 . 11544 2 76 . 2 2 9 9 ILE N N 15 120.145 0.3 . 1 . . . B 124 ILE N . 11544 2 77 . 2 2 10 10 ASP H H 1 9.325 0.03 . 1 . . . B 125 ASP H . 11544 2 78 . 2 2 10 10 ASP HA H 1 4.345 0.03 . 1 . . . B 125 ASP HA . 11544 2 79 . 2 2 10 10 ASP HB2 H 1 2.661 0.03 . 2 . . . B 125 ASP HB2 . 11544 2 80 . 2 2 10 10 ASP HB3 H 1 2.729 0.03 . 2 . . . B 125 ASP HB3 . 11544 2 81 . 2 2 10 10 ASP CA C 13 57.175 0.100 . 1 . . . B 125 ASP CA . 11544 2 82 . 2 2 10 10 ASP CB C 13 39.869 0.030 . 1 . . . B 125 ASP CB . 11544 2 83 . 2 2 10 10 ASP N N 15 123.273 0.3 . 1 . . . B 125 ASP N . 11544 2 84 . 2 2 11 11 ALA H H 1 7.386 0.03 . 1 . . . B 126 ALA H . 11544 2 85 . 2 2 11 11 ALA HA H 1 4.286 0.03 . 1 . . . B 126 ALA HA . 11544 2 86 . 2 2 11 11 ALA HB1 H 1 1.309 0.03 . 1 . . . B 126 ALA HB1 . 11544 2 87 . 2 2 11 11 ALA HB2 H 1 1.309 0.03 . 1 . . . B 126 ALA HB2 . 11544 2 88 . 2 2 11 11 ALA HB3 H 1 1.309 0.03 . 1 . . . B 126 ALA HB3 . 11544 2 89 . 2 2 11 11 ALA CA C 13 52.241 0.100 . 1 . . . B 126 ALA CA . 11544 2 90 . 2 2 11 11 ALA CB C 13 19.199 0.100 . 1 . . . B 126 ALA CB . 11544 2 91 . 2 2 11 11 ALA N N 15 119.321 0.3 . 1 . . . B 126 ALA N . 11544 2 92 . 2 2 12 12 GLY H H 1 7.989 0.03 . 1 . . . B 127 GLY H . 11544 2 93 . 2 2 12 12 GLY HA2 H 1 3.911 0.03 . 2 . . . B 127 GLY HA2 . 11544 2 94 . 2 2 12 12 GLY HA3 H 1 4.167 0.03 . 2 . . . B 127 GLY HA3 . 11544 2 95 . 2 2 12 12 GLY CA C 13 45.453 0.046 . 1 . . . B 127 GLY CA . 11544 2 96 . 2 2 12 12 GLY N N 15 103.860 0.3 . 1 . . . B 127 GLY N . 11544 2 97 . 2 2 13 13 ALA H H 1 6.992 0.03 . 1 . . . B 128 ALA H . 11544 2 98 . 2 2 13 13 ALA HA H 1 3.728 0.03 . 1 . . . B 128 ALA HA . 11544 2 99 . 2 2 13 13 ALA HB1 H 1 1.086 0.03 . 1 . . . B 128 ALA HB1 . 11544 2 100 . 2 2 13 13 ALA HB2 H 1 1.086 0.03 . 1 . . . B 128 ALA HB2 . 11544 2 101 . 2 2 13 13 ALA HB3 H 1 1.086 0.03 . 1 . . . B 128 ALA HB3 . 11544 2 102 . 2 2 13 13 ALA CA C 13 55.107 0.100 . 1 . . . B 128 ALA CA . 11544 2 103 . 2 2 13 13 ALA CB C 13 20.409 0.100 . 1 . . . B 128 ALA CB . 11544 2 104 . 2 2 13 13 ALA N N 15 116.928 0.3 . 1 . . . B 128 ALA N . 11544 2 105 . 2 2 14 14 LEU H H 1 9.301 0.03 . 1 . . . B 129 LEU H . 11544 2 106 . 2 2 14 14 LEU HA H 1 3.964 0.03 . 1 . . . B 129 LEU HA . 11544 2 107 . 2 2 14 14 LEU HB2 H 1 2.125 0.03 . 2 . . . B 129 LEU HB2 . 11544 2 108 . 2 2 14 14 LEU HB3 H 1 2.084 0.03 . 2 . . . B 129 LEU HB3 . 11544 2 109 . 2 2 14 14 LEU HG H 1 1.353 0.03 . 1 . . . B 129 LEU HG . 11544 2 110 . 2 2 14 14 LEU HD21 H 1 0.713 0.03 . 1 . . . B 129 LEU HD21 . 11544 2 111 . 2 2 14 14 LEU HD22 H 1 0.713 0.03 . 1 . . . B 129 LEU HD22 . 11544 2 112 . 2 2 14 14 LEU HD23 H 1 0.713 0.03 . 1 . . . B 129 LEU HD23 . 11544 2 113 . 2 2 14 14 LEU CA C 13 60.234 0.100 . 1 . . . B 129 LEU CA . 11544 2 114 . 2 2 14 14 LEU CB C 13 38.495 0.100 . 1 . . . B 129 LEU CB . 11544 2 115 . 2 2 14 14 LEU CG C 13 29.700 0.100 . 1 . . . B 129 LEU CG . 11544 2 116 . 2 2 14 14 LEU CD2 C 13 25.840 0.100 . 1 . . . B 129 LEU CD2 . 11544 2 117 . 2 2 14 14 LEU N N 15 112.835 0.3 . 1 . . . B 129 LEU N . 11544 2 118 . 2 2 15 15 PRO HA H 1 4.235 0.03 . 1 . . . B 130 PRO HA . 11544 2 119 . 2 2 15 15 PRO HB2 H 1 1.817 0.03 . 2 . . . B 130 PRO HB2 . 11544 2 120 . 2 2 15 15 PRO HB3 H 1 2.288 0.03 . 2 . . . B 130 PRO HB3 . 11544 2 121 . 2 2 15 15 PRO HG2 H 1 2.141 0.03 . 1 . . . B 130 PRO HG2 . 11544 2 122 . 2 2 15 15 PRO HD2 H 1 3.692 0.03 . 2 . . . B 130 PRO HD2 . 11544 2 123 . 2 2 15 15 PRO HD3 H 1 3.501 0.03 . 2 . . . B 130 PRO HD3 . 11544 2 124 . 2 2 15 15 PRO CA C 13 65.983 0.100 . 1 . . . B 130 PRO CA . 11544 2 125 . 2 2 15 15 PRO CB C 13 30.704 0.020 . 1 . . . B 130 PRO CB . 11544 2 126 . 2 2 15 15 PRO CG C 13 28.099 0.100 . 1 . . . B 130 PRO CG . 11544 2 127 . 2 2 15 15 PRO CD C 13 49.314 0.032 . 1 . . . B 130 PRO CD . 11544 2 128 . 2 2 16 16 ALA H H 1 6.557 0.03 . 1 . . . B 131 ALA H . 11544 2 129 . 2 2 16 16 ALA HA H 1 4.067 0.03 . 1 . . . B 131 ALA HA . 11544 2 130 . 2 2 16 16 ALA HB1 H 1 1.333 0.03 . 1 . . . B 131 ALA HB1 . 11544 2 131 . 2 2 16 16 ALA HB2 H 1 1.333 0.03 . 1 . . . B 131 ALA HB2 . 11544 2 132 . 2 2 16 16 ALA HB3 H 1 1.333 0.03 . 1 . . . B 131 ALA HB3 . 11544 2 133 . 2 2 16 16 ALA C C 13 179.823 0.100 . 1 . . . B 131 ALA C . 11544 2 134 . 2 2 16 16 ALA CA C 13 54.496 0.100 . 1 . . . B 131 ALA CA . 11544 2 135 . 2 2 16 16 ALA CB C 13 19.310 0.100 . 1 . . . B 131 ALA CB . 11544 2 136 . 2 2 16 16 ALA N N 15 118.116 0.3 . 1 . . . B 131 ALA N . 11544 2 137 . 2 2 17 17 LEU H H 1 8.196 0.03 . 1 . . . B 132 LEU H . 11544 2 138 . 2 2 17 17 LEU HA H 1 3.729 0.03 . 1 . . . B 132 LEU HA . 11544 2 139 . 2 2 17 17 LEU HB2 H 1 1.636 0.03 . 2 . . . B 132 LEU HB2 . 11544 2 140 . 2 2 17 17 LEU HB3 H 1 1.538 0.03 . 2 . . . B 132 LEU HB3 . 11544 2 141 . 2 2 17 17 LEU HG H 1 1.597 0.03 . 1 . . . B 132 LEU HG . 11544 2 142 . 2 2 17 17 LEU HD21 H 1 0.782 0.03 . 1 . . . B 132 LEU HD21 . 11544 2 143 . 2 2 17 17 LEU HD22 H 1 0.782 0.03 . 1 . . . B 132 LEU HD22 . 11544 2 144 . 2 2 17 17 LEU HD23 H 1 0.782 0.03 . 1 . . . B 132 LEU HD23 . 11544 2 145 . 2 2 17 17 LEU C C 13 178.348 0.100 . 1 . . . B 132 LEU C . 11544 2 146 . 2 2 17 17 LEU CA C 13 58.187 0.100 . 1 . . . B 132 LEU CA . 11544 2 147 . 2 2 17 17 LEU CB C 13 42.213 0.029 . 1 . . . B 132 LEU CB . 11544 2 148 . 2 2 17 17 LEU CG C 13 26.930 0.100 . 1 . . . B 132 LEU CG . 11544 2 149 . 2 2 17 17 LEU CD2 C 13 25.209 0.100 . 1 . . . B 132 LEU CD2 . 11544 2 150 . 2 2 17 17 LEU N N 15 117.860 0.3 . 1 . . . B 132 LEU N . 11544 2 151 . 2 2 18 18 VAL H H 1 8.308 0.03 . 1 . . . B 133 VAL H . 11544 2 152 . 2 2 18 18 VAL HA H 1 3.315 0.03 . 1 . . . B 133 VAL HA . 11544 2 153 . 2 2 18 18 VAL HB H 1 2.011 0.03 . 1 . . . B 133 VAL HB . 11544 2 154 . 2 2 18 18 VAL HG11 H 1 0.789 0.03 . 2 . . . B 133 VAL HG11 . 11544 2 155 . 2 2 18 18 VAL HG12 H 1 0.789 0.03 . 2 . . . B 133 VAL HG12 . 11544 2 156 . 2 2 18 18 VAL HG13 H 1 0.789 0.03 . 2 . . . B 133 VAL HG13 . 11544 2 157 . 2 2 18 18 VAL HG21 H 1 0.750 0.03 . 2 . . . B 133 VAL HG21 . 11544 2 158 . 2 2 18 18 VAL HG22 H 1 0.750 0.03 . 2 . . . B 133 VAL HG22 . 11544 2 159 . 2 2 18 18 VAL HG23 H 1 0.750 0.03 . 2 . . . B 133 VAL HG23 . 11544 2 160 . 2 2 18 18 VAL C C 13 179.456 0.100 . 1 . . . B 133 VAL C . 11544 2 161 . 2 2 18 18 VAL CA C 13 67.013 0.100 . 1 . . . B 133 VAL CA . 11544 2 162 . 2 2 18 18 VAL CB C 13 31.207 0.100 . 1 . . . B 133 VAL CB . 11544 2 163 . 2 2 18 18 VAL CG1 C 13 23.730 0.100 . 2 . . . B 133 VAL CG1 . 11544 2 164 . 2 2 18 18 VAL CG2 C 13 21.630 0.100 . 2 . . . B 133 VAL CG2 . 11544 2 165 . 2 2 18 18 VAL N N 15 115.968 0.3 . 1 . . . B 133 VAL N . 11544 2 166 . 2 2 19 19 GLN H H 1 7.650 0.03 . 1 . . . B 134 GLN H . 11544 2 167 . 2 2 19 19 GLN HA H 1 3.976 0.03 . 1 . . . B 134 GLN HA . 11544 2 168 . 2 2 19 19 GLN HB2 H 1 2.132 0.03 . 2 . . . B 134 GLN HB2 . 11544 2 169 . 2 2 19 19 GLN HB3 H 1 2.104 0.03 . 2 . . . B 134 GLN HB3 . 11544 2 170 . 2 2 19 19 GLN HG2 H 1 2.357 0.03 . 2 . . . B 134 GLN HG2 . 11544 2 171 . 2 2 19 19 GLN HG3 H 1 2.396 0.03 . 2 . . . B 134 GLN HG3 . 11544 2 172 . 2 2 19 19 GLN HE21 H 1 7.331 0.03 . 1 . . . B 134 GLN HE21 . 11544 2 173 . 2 2 19 19 GLN HE22 H 1 6.741 0.03 . 1 . . . B 134 GLN HE22 . 11544 2 174 . 2 2 19 19 GLN C C 13 179.109 0.100 . 1 . . . B 134 GLN C . 11544 2 175 . 2 2 19 19 GLN CA C 13 58.882 0.100 . 1 . . . B 134 GLN CA . 11544 2 176 . 2 2 19 19 GLN CB C 13 28.015 0.100 . 1 . . . B 134 GLN CB . 11544 2 177 . 2 2 19 19 GLN CG C 13 33.751 0.005 . 1 . . . B 134 GLN CG . 11544 2 178 . 2 2 19 19 GLN N N 15 119.382 0.3 . 1 . . . B 134 GLN N . 11544 2 179 . 2 2 19 19 GLN NE2 N 15 111.555 0.002 . 1 . . . B 134 GLN NE2 . 11544 2 180 . 2 2 20 20 LEU H H 1 7.526 0.03 . 1 . . . B 135 LEU H . 11544 2 181 . 2 2 20 20 LEU HA H 1 4.036 0.03 . 1 . . . B 135 LEU HA . 11544 2 182 . 2 2 20 20 LEU HB2 H 1 1.304 0.03 . 2 . . . B 135 LEU HB2 . 11544 2 183 . 2 2 20 20 LEU HB3 H 1 1.982 0.03 . 2 . . . B 135 LEU HB3 . 11544 2 184 . 2 2 20 20 LEU HG H 1 0.942 0.03 . 1 . . . B 135 LEU HG . 11544 2 185 . 2 2 20 20 LEU HD11 H 1 0.931 0.03 . 1 . . . B 135 LEU HD11 . 11544 2 186 . 2 2 20 20 LEU HD12 H 1 0.931 0.03 . 1 . . . B 135 LEU HD12 . 11544 2 187 . 2 2 20 20 LEU HD13 H 1 0.931 0.03 . 1 . . . B 135 LEU HD13 . 11544 2 188 . 2 2 20 20 LEU C C 13 177.605 0.100 . 1 . . . B 135 LEU C . 11544 2 189 . 2 2 20 20 LEU CA C 13 56.578 0.100 . 1 . . . B 135 LEU CA . 11544 2 190 . 2 2 20 20 LEU CB C 13 41.334 0.004 . 1 . . . B 135 LEU CB . 11544 2 191 . 2 2 20 20 LEU CG C 13 27.395 0.100 . 1 . . . B 135 LEU CG . 11544 2 192 . 2 2 20 20 LEU CD1 C 13 22.507 0.100 . 1 . . . B 135 LEU CD1 . 11544 2 193 . 2 2 20 20 LEU N N 15 119.052 0.3 . 1 . . . B 135 LEU N . 11544 2 194 . 2 2 21 21 LEU H H 1 7.384 0.03 . 1 . . . B 136 LEU H . 11544 2 195 . 2 2 21 21 LEU HA H 1 4.174 0.03 . 1 . . . B 136 LEU HA . 11544 2 196 . 2 2 21 21 LEU HB2 H 1 1.410 0.03 . 2 . . . B 136 LEU HB2 . 11544 2 197 . 2 2 21 21 LEU HB3 H 1 1.965 0.03 . 2 . . . B 136 LEU HB3 . 11544 2 198 . 2 2 21 21 LEU HG H 1 2.010 0.03 . 1 . . . B 136 LEU HG . 11544 2 199 . 2 2 21 21 LEU HD11 H 1 0.608 0.03 . 2 . . . B 136 LEU HD11 . 11544 2 200 . 2 2 21 21 LEU HD12 H 1 0.608 0.03 . 2 . . . B 136 LEU HD12 . 11544 2 201 . 2 2 21 21 LEU HD13 H 1 0.608 0.03 . 2 . . . B 136 LEU HD13 . 11544 2 202 . 2 2 21 21 LEU HD21 H 1 0.604 0.03 . 2 . . . B 136 LEU HD21 . 11544 2 203 . 2 2 21 21 LEU HD22 H 1 0.604 0.03 . 2 . . . B 136 LEU HD22 . 11544 2 204 . 2 2 21 21 LEU HD23 H 1 0.604 0.03 . 2 . . . B 136 LEU HD23 . 11544 2 205 . 2 2 21 21 LEU C C 13 176.560 0.100 . 1 . . . B 136 LEU C . 11544 2 206 . 2 2 21 21 LEU CA C 13 56.059 0.100 . 1 . . . B 136 LEU CA . 11544 2 207 . 2 2 21 21 LEU CB C 13 40.460 0.017 . 1 . . . B 136 LEU CB . 11544 2 208 . 2 2 21 21 LEU CG C 13 25.926 0.100 . 1 . . . B 136 LEU CG . 11544 2 209 . 2 2 21 21 LEU CD1 C 13 22.013 0.100 . 2 . . . B 136 LEU CD1 . 11544 2 210 . 2 2 21 21 LEU CD2 C 13 22.075 0.100 . 2 . . . B 136 LEU CD2 . 11544 2 211 . 2 2 21 21 LEU N N 15 116.122 0.3 . 1 . . . B 136 LEU N . 11544 2 212 . 2 2 22 22 SER H H 1 7.325 0.03 . 1 . . . B 137 SER H . 11544 2 213 . 2 2 22 22 SER HA H 1 4.639 0.03 . 1 . . . B 137 SER HA . 11544 2 214 . 2 2 22 22 SER HB2 H 1 3.848 0.03 . 2 . . . B 137 SER HB2 . 11544 2 215 . 2 2 22 22 SER HB3 H 1 3.995 0.03 . 2 . . . B 137 SER HB3 . 11544 2 216 . 2 2 22 22 SER C C 13 174.084 0.100 . 1 . . . B 137 SER C . 11544 2 217 . 2 2 22 22 SER CA C 13 57.553 0.100 . 1 . . . B 137 SER CA . 11544 2 218 . 2 2 22 22 SER CB C 13 63.662 0.100 . 1 . . . B 137 SER CB . 11544 2 219 . 2 2 22 22 SER N N 15 110.496 0.3 . 1 . . . B 137 SER N . 11544 2 220 . 2 2 23 23 SER H H 1 7.464 0.03 . 1 . . . B 138 SER H . 11544 2 221 . 2 2 23 23 SER HA H 1 4.445 0.03 . 1 . . . B 138 SER HA . 11544 2 222 . 2 2 23 23 SER HB2 H 1 4.088 0.03 . 2 . . . B 138 SER HB2 . 11544 2 223 . 2 2 23 23 SER HB3 H 1 3.671 0.03 . 2 . . . B 138 SER HB3 . 11544 2 224 . 2 2 23 23 SER CA C 13 56.863 0.100 . 1 . . . B 138 SER CA . 11544 2 225 . 2 2 23 23 SER CB C 13 64.917 0.024 . 1 . . . B 138 SER CB . 11544 2 226 . 2 2 23 23 SER N N 15 117.773 0.3 . 1 . . . B 138 SER N . 11544 2 227 . 2 2 24 24 PRO HA H 1 4.529 0.03 . 1 . . . B 139 PRO HA . 11544 2 228 . 2 2 24 24 PRO HB2 H 1 2.247 0.03 . 1 . . . B 139 PRO HB2 . 11544 2 229 . 2 2 24 24 PRO HB3 H 1 2.247 0.03 . 1 . . . B 139 PRO HB3 . 11544 2 230 . 2 2 24 24 PRO HG2 H 1 1.959 0.03 . 2 . . . B 139 PRO HG2 . 11544 2 231 . 2 2 24 24 PRO HG3 H 1 2.002 0.03 . 2 . . . B 139 PRO HG3 . 11544 2 232 . 2 2 24 24 PRO HD2 H 1 3.889 0.03 . 2 . . . B 139 PRO HD2 . 11544 2 233 . 2 2 24 24 PRO HD3 H 1 3.796 0.03 . 2 . . . B 139 PRO HD3 . 11544 2 234 . 2 2 24 24 PRO CA C 13 63.263 0.100 . 1 . . . B 139 PRO CA . 11544 2 235 . 2 2 24 24 PRO CB C 13 31.874 0.100 . 1 . . . B 139 PRO CB . 11544 2 236 . 2 2 24 24 PRO CG C 13 26.719 0.025 . 1 . . . B 139 PRO CG . 11544 2 237 . 2 2 24 24 PRO CD C 13 50.918 0.002 . 1 . . . B 139 PRO CD . 11544 2 238 . 2 2 25 25 ASN H H 1 8.224 0.03 . 1 . . . B 140 ASN H . 11544 2 239 . 2 2 25 25 ASN HA H 1 4.638 0.03 . 1 . . . B 140 ASN HA . 11544 2 240 . 2 2 25 25 ASN HB2 H 1 2.609 0.03 . 2 . . . B 140 ASN HB2 . 11544 2 241 . 2 2 25 25 ASN HB3 H 1 2.961 0.03 . 2 . . . B 140 ASN HB3 . 11544 2 242 . 2 2 25 25 ASN HD21 H 1 7.719 0.03 . 1 . . . B 140 ASN HD21 . 11544 2 243 . 2 2 25 25 ASN HD22 H 1 7.053 0.03 . 1 . . . B 140 ASN HD22 . 11544 2 244 . 2 2 25 25 ASN C C 13 175.085 0.100 . 1 . . . B 140 ASN C . 11544 2 245 . 2 2 25 25 ASN CA C 13 52.435 0.100 . 1 . . . B 140 ASN CA . 11544 2 246 . 2 2 25 25 ASN CB C 13 38.611 0.012 . 1 . . . B 140 ASN CB . 11544 2 247 . 2 2 25 25 ASN N N 15 119.885 0.3 . 1 . . . B 140 ASN N . 11544 2 248 . 2 2 25 25 ASN ND2 N 15 113.509 0.3 . 1 . . . B 140 ASN ND2 . 11544 2 249 . 2 2 26 26 GLU H H 1 8.908 0.03 . 1 . . . B 141 GLU H . 11544 2 250 . 2 2 26 26 GLU HA H 1 3.829 0.03 . 1 . . . B 141 GLU HA . 11544 2 251 . 2 2 26 26 GLU HB2 H 1 1.993 0.03 . 2 . . . B 141 GLU HB2 . 11544 2 252 . 2 2 26 26 GLU HB3 H 1 1.953 0.03 . 2 . . . B 141 GLU HB3 . 11544 2 253 . 2 2 26 26 GLU HG2 H 1 2.163 0.03 . 2 . . . B 141 GLU HG2 . 11544 2 254 . 2 2 26 26 GLU HG3 H 1 2.444 0.03 . 2 . . . B 141 GLU HG3 . 11544 2 255 . 2 2 26 26 GLU C C 13 177.837 0.100 . 1 . . . B 141 GLU C . 11544 2 256 . 2 2 26 26 GLU CA C 13 59.723 0.100 . 1 . . . B 141 GLU CA . 11544 2 257 . 2 2 26 26 GLU CB C 13 28.195 0.100 . 1 . . . B 141 GLU CB . 11544 2 258 . 2 2 26 26 GLU CG C 13 33.777 0.022 . 1 . . . B 141 GLU CG . 11544 2 259 . 2 2 26 26 GLU N N 15 125.937 0.3 . 1 . . . B 141 GLU N . 11544 2 260 . 2 2 27 27 GLN H H 1 8.120 0.03 . 1 . . . B 142 GLN H . 11544 2 261 . 2 2 27 27 GLN HA H 1 4.011 0.03 . 1 . . . B 142 GLN HA . 11544 2 262 . 2 2 27 27 GLN HB2 H 1 2.124 0.03 . 2 . . . B 142 GLN HB2 . 11544 2 263 . 2 2 27 27 GLN HB3 H 1 2.038 0.03 . 2 . . . B 142 GLN HB3 . 11544 2 264 . 2 2 27 27 GLN HG2 H 1 2.327 0.03 . 2 . . . B 142 GLN HG2 . 11544 2 265 . 2 2 27 27 GLN HG3 H 1 2.378 0.03 . 2 . . . B 142 GLN HG3 . 11544 2 266 . 2 2 27 27 GLN HE21 H 1 6.774 0.03 . 1 . . . B 142 GLN HE21 . 11544 2 267 . 2 2 27 27 GLN HE22 H 1 7.605 0.03 . 1 . . . B 142 GLN HE22 . 11544 2 268 . 2 2 27 27 GLN C C 13 178.488 0.100 . 1 . . . B 142 GLN C . 11544 2 269 . 2 2 27 27 GLN CA C 13 59.265 0.100 . 1 . . . B 142 GLN CA . 11544 2 270 . 2 2 27 27 GLN CB C 13 28.013 0.100 . 1 . . . B 142 GLN CB . 11544 2 271 . 2 2 27 27 GLN CG C 13 34.484 0.006 . 1 . . . B 142 GLN CG . 11544 2 272 . 2 2 27 27 GLN N N 15 118.940 0.3 . 1 . . . B 142 GLN N . 11544 2 273 . 2 2 27 27 GLN NE2 N 15 112.141 0.005 . 1 . . . B 142 GLN NE2 . 11544 2 274 . 2 2 28 28 ILE H H 1 7.234 0.03 . 1 . . . B 143 ILE H . 11544 2 275 . 2 2 28 28 ILE HA H 1 3.429 0.03 . 1 . . . B 143 ILE HA . 11544 2 276 . 2 2 28 28 ILE HB H 1 2.004 0.03 . 1 . . . B 143 ILE HB . 11544 2 277 . 2 2 28 28 ILE HG12 H 1 1.462 0.03 . 2 . . . B 143 ILE HG12 . 11544 2 278 . 2 2 28 28 ILE HG13 H 1 0.859 0.03 . 2 . . . B 143 ILE HG13 . 11544 2 279 . 2 2 28 28 ILE HG21 H 1 0.861 0.03 . 1 . . . B 143 ILE HG21 . 11544 2 280 . 2 2 28 28 ILE HG22 H 1 0.861 0.03 . 1 . . . B 143 ILE HG22 . 11544 2 281 . 2 2 28 28 ILE HG23 H 1 0.861 0.03 . 1 . . . B 143 ILE HG23 . 11544 2 282 . 2 2 28 28 ILE HD11 H 1 0.827 0.03 . 1 . . . B 143 ILE HD11 . 11544 2 283 . 2 2 28 28 ILE HD12 H 1 0.827 0.03 . 1 . . . B 143 ILE HD12 . 11544 2 284 . 2 2 28 28 ILE HD13 H 1 0.827 0.03 . 1 . . . B 143 ILE HD13 . 11544 2 285 . 2 2 28 28 ILE C C 13 177.835 0.100 . 1 . . . B 143 ILE C . 11544 2 286 . 2 2 28 28 ILE CA C 13 64.394 0.100 . 1 . . . B 143 ILE CA . 11544 2 287 . 2 2 28 28 ILE CB C 13 37.090 0.100 . 1 . . . B 143 ILE CB . 11544 2 288 . 2 2 28 28 ILE CG1 C 13 29.240 0.016 . 1 . . . B 143 ILE CG1 . 11544 2 289 . 2 2 28 28 ILE CG2 C 13 18.064 0.100 . 1 . . . B 143 ILE CG2 . 11544 2 290 . 2 2 28 28 ILE CD1 C 13 12.446 0.100 . 1 . . . B 143 ILE CD1 . 11544 2 291 . 2 2 28 28 ILE N N 15 121.110 0.3 . 1 . . . B 143 ILE N . 11544 2 292 . 2 2 29 29 LEU H H 1 8.090 0.03 . 1 . . . B 144 LEU H . 11544 2 293 . 2 2 29 29 LEU HA H 1 3.868 0.03 . 1 . . . B 144 LEU HA . 11544 2 294 . 2 2 29 29 LEU HB2 H 1 1.785 0.03 . 2 . . . B 144 LEU HB2 . 11544 2 295 . 2 2 29 29 LEU HB3 H 1 1.458 0.03 . 2 . . . B 144 LEU HB3 . 11544 2 296 . 2 2 29 29 LEU HG H 1 1.682 0.03 . 1 . . . B 144 LEU HG . 11544 2 297 . 2 2 29 29 LEU HD11 H 1 0.887 0.03 . 2 . . . B 144 LEU HD11 . 11544 2 298 . 2 2 29 29 LEU HD12 H 1 0.887 0.03 . 2 . . . B 144 LEU HD12 . 11544 2 299 . 2 2 29 29 LEU HD13 H 1 0.887 0.03 . 2 . . . B 144 LEU HD13 . 11544 2 300 . 2 2 29 29 LEU HD21 H 1 0.781 0.03 . 2 . . . B 144 LEU HD21 . 11544 2 301 . 2 2 29 29 LEU HD22 H 1 0.781 0.03 . 2 . . . B 144 LEU HD22 . 11544 2 302 . 2 2 29 29 LEU HD23 H 1 0.781 0.03 . 2 . . . B 144 LEU HD23 . 11544 2 303 . 2 2 29 29 LEU C C 13 178.860 0.100 . 1 . . . B 144 LEU C . 11544 2 304 . 2 2 29 29 LEU CA C 13 59.228 0.100 . 1 . . . B 144 LEU CA . 11544 2 305 . 2 2 29 29 LEU CB C 13 43.172 0.004 . 1 . . . B 144 LEU CB . 11544 2 306 . 2 2 29 29 LEU CG C 13 28.199 0.100 . 1 . . . B 144 LEU CG . 11544 2 307 . 2 2 29 29 LEU CD1 C 13 26.139 0.100 . 2 . . . B 144 LEU CD1 . 11544 2 308 . 2 2 29 29 LEU CD2 C 13 24.681 0.100 . 2 . . . B 144 LEU CD2 . 11544 2 309 . 2 2 29 29 LEU N N 15 120.255 0.3 . 1 . . . B 144 LEU N . 11544 2 310 . 2 2 30 30 GLN H H 1 7.844 0.03 . 1 . . . B 145 GLN H . 11544 2 311 . 2 2 30 30 GLN HA H 1 3.511 0.03 . 1 . . . B 145 GLN HA . 11544 2 312 . 2 2 30 30 GLN HB2 H 1 1.789 0.03 . 2 . . . B 145 GLN HB2 . 11544 2 313 . 2 2 30 30 GLN HB3 H 1 1.864 0.03 . 2 . . . B 145 GLN HB3 . 11544 2 314 . 2 2 30 30 GLN HG2 H 1 1.871 0.03 . 2 . . . B 145 GLN HG2 . 11544 2 315 . 2 2 30 30 GLN HG3 H 1 1.986 0.03 . 2 . . . B 145 GLN HG3 . 11544 2 316 . 2 2 30 30 GLN C C 13 177.635 0.100 . 1 . . . B 145 GLN C . 11544 2 317 . 2 2 30 30 GLN CA C 13 59.733 0.100 . 1 . . . B 145 GLN CA . 11544 2 318 . 2 2 30 30 GLN CB C 13 29.097 0.100 . 1 . . . B 145 GLN CB . 11544 2 319 . 2 2 30 30 GLN CG C 13 35.054 0.003 . 1 . . . B 145 GLN CG . 11544 2 320 . 2 2 30 30 GLN N N 15 115.142 0.3 . 1 . . . B 145 GLN N . 11544 2 321 . 2 2 31 31 GLU H H 1 7.653 0.03 . 1 . . . B 146 GLU H . 11544 2 322 . 2 2 31 31 GLU HA H 1 3.893 0.03 . 1 . . . B 146 GLU HA . 11544 2 323 . 2 2 31 31 GLU HB2 H 1 2.023 0.03 . 2 . . . B 146 GLU HB2 . 11544 2 324 . 2 2 31 31 GLU HB3 H 1 2.061 0.03 . 2 . . . B 146 GLU HB3 . 11544 2 325 . 2 2 31 31 GLU HG2 H 1 2.369 0.03 . 2 . . . B 146 GLU HG2 . 11544 2 326 . 2 2 31 31 GLU HG3 H 1 2.337 0.03 . 2 . . . B 146 GLU HG3 . 11544 2 327 . 2 2 31 31 GLU C C 13 179.458 0.100 . 1 . . . B 146 GLU C . 11544 2 328 . 2 2 31 31 GLU CA C 13 58.773 0.100 . 1 . . . B 146 GLU CA . 11544 2 329 . 2 2 31 31 GLU CB C 13 29.190 0.100 . 1 . . . B 146 GLU CB . 11544 2 330 . 2 2 31 31 GLU CG C 13 35.939 0.022 . 1 . . . B 146 GLU CG . 11544 2 331 . 2 2 31 31 GLU N N 15 118.768 0.3 . 1 . . . B 146 GLU N . 11544 2 332 . 2 2 32 32 ALA H H 1 8.736 0.03 . 1 . . . B 147 ALA H . 11544 2 333 . 2 2 32 32 ALA HA H 1 3.935 0.03 . 1 . . . B 147 ALA HA . 11544 2 334 . 2 2 32 32 ALA HB1 H 1 1.361 0.03 . 1 . . . B 147 ALA HB1 . 11544 2 335 . 2 2 32 32 ALA HB2 H 1 1.361 0.03 . 1 . . . B 147 ALA HB2 . 11544 2 336 . 2 2 32 32 ALA HB3 H 1 1.361 0.03 . 1 . . . B 147 ALA HB3 . 11544 2 337 . 2 2 32 32 ALA C C 13 178.918 0.100 . 1 . . . B 147 ALA C . 11544 2 338 . 2 2 32 32 ALA CA C 13 55.439 0.100 . 1 . . . B 147 ALA CA . 11544 2 339 . 2 2 32 32 ALA CB C 13 18.125 0.100 . 1 . . . B 147 ALA CB . 11544 2 340 . 2 2 32 32 ALA N N 15 123.428 0.3 . 1 . . . B 147 ALA N . 11544 2 341 . 2 2 33 33 LEU H H 1 8.305 0.03 . 1 . . . B 148 LEU H . 11544 2 342 . 2 2 33 33 LEU HA H 1 3.744 0.03 . 1 . . . B 148 LEU HA . 11544 2 343 . 2 2 33 33 LEU HB2 H 1 1.650 0.03 . 2 . . . B 148 LEU HB2 . 11544 2 344 . 2 2 33 33 LEU HB3 H 1 1.528 0.03 . 2 . . . B 148 LEU HB3 . 11544 2 345 . 2 2 33 33 LEU HG H 1 1.761 0.03 . 1 . . . B 148 LEU HG . 11544 2 346 . 2 2 33 33 LEU HD11 H 1 0.655 0.03 . 2 . . . B 148 LEU HD11 . 11544 2 347 . 2 2 33 33 LEU HD12 H 1 0.655 0.03 . 2 . . . B 148 LEU HD12 . 11544 2 348 . 2 2 33 33 LEU HD13 H 1 0.655 0.03 . 2 . . . B 148 LEU HD13 . 11544 2 349 . 2 2 33 33 LEU HD21 H 1 0.659 0.03 . 2 . . . B 148 LEU HD21 . 11544 2 350 . 2 2 33 33 LEU HD22 H 1 0.659 0.03 . 2 . . . B 148 LEU HD22 . 11544 2 351 . 2 2 33 33 LEU HD23 H 1 0.659 0.03 . 2 . . . B 148 LEU HD23 . 11544 2 352 . 2 2 33 33 LEU C C 13 178.604 0.100 . 1 . . . B 148 LEU C . 11544 2 353 . 2 2 33 33 LEU CA C 13 58.398 0.100 . 1 . . . B 148 LEU CA . 11544 2 354 . 2 2 33 33 LEU CB C 13 41.999 0.100 . 1 . . . B 148 LEU CB . 11544 2 355 . 2 2 33 33 LEU CG C 13 26.819 0.100 . 1 . . . B 148 LEU CG . 11544 2 356 . 2 2 33 33 LEU CD1 C 13 26.145 0.100 . 2 . . . B 148 LEU CD1 . 11544 2 357 . 2 2 33 33 LEU CD2 C 13 25.264 0.100 . 2 . . . B 148 LEU CD2 . 11544 2 358 . 2 2 33 33 LEU N N 15 118.962 0.3 . 1 . . . B 148 LEU N . 11544 2 359 . 2 2 34 34 TRP H H 1 8.261 0.03 . 1 . . . B 149 TRP H . 11544 2 360 . 2 2 34 34 TRP HA H 1 4.323 0.03 . 1 . . . B 149 TRP HA . 11544 2 361 . 2 2 34 34 TRP HB2 H 1 3.287 0.03 . 2 . . . B 149 TRP HB2 . 11544 2 362 . 2 2 34 34 TRP HB3 H 1 3.315 0.03 . 2 . . . B 149 TRP HB3 . 11544 2 363 . 2 2 34 34 TRP HE1 H 1 10.029 0.03 . 1 . . . B 149 TRP HE1 . 11544 2 364 . 2 2 34 34 TRP C C 13 178.713 0.100 . 1 . . . B 149 TRP C . 11544 2 365 . 2 2 34 34 TRP CA C 13 59.810 0.100 . 1 . . . B 149 TRP CA . 11544 2 366 . 2 2 34 34 TRP CB C 13 28.646 0.050 . 1 . . . B 149 TRP CB . 11544 2 367 . 2 2 34 34 TRP N N 15 120.858 0.3 . 1 . . . B 149 TRP N . 11544 2 368 . 2 2 34 34 TRP NE1 N 15 128.550 0.3 . 1 . . . B 149 TRP NE1 . 11544 2 369 . 2 2 35 35 ALA H H 1 8.225 0.03 . 1 . . . B 150 ALA H . 11544 2 370 . 2 2 35 35 ALA HA H 1 3.928 0.03 . 1 . . . B 150 ALA HA . 11544 2 371 . 2 2 35 35 ALA HB1 H 1 1.374 0.03 . 1 . . . B 150 ALA HB1 . 11544 2 372 . 2 2 35 35 ALA HB2 H 1 1.374 0.03 . 1 . . . B 150 ALA HB2 . 11544 2 373 . 2 2 35 35 ALA HB3 H 1 1.374 0.03 . 1 . . . B 150 ALA HB3 . 11544 2 374 . 2 2 35 35 ALA C C 13 180.491 0.100 . 1 . . . B 150 ALA C . 11544 2 375 . 2 2 35 35 ALA CA C 13 55.689 0.100 . 1 . . . B 150 ALA CA . 11544 2 376 . 2 2 35 35 ALA CB C 13 17.676 0.100 . 1 . . . B 150 ALA CB . 11544 2 377 . 2 2 35 35 ALA N N 15 121.268 0.3 . 1 . . . B 150 ALA N . 11544 2 378 . 2 2 36 36 LEU H H 1 8.358 0.03 . 1 . . . B 151 LEU H . 11544 2 379 . 2 2 36 36 LEU HA H 1 3.747 0.03 . 1 . . . B 151 LEU HA . 11544 2 380 . 2 2 36 36 LEU HB2 H 1 1.633 0.03 . 1 . . . B 151 LEU HB2 . 11544 2 381 . 2 2 36 36 LEU HB3 H 1 1.633 0.03 . 1 . . . B 151 LEU HB3 . 11544 2 382 . 2 2 36 36 LEU HG H 1 1.349 0.03 . 1 . . . B 151 LEU HG . 11544 2 383 . 2 2 36 36 LEU HD11 H 1 0.665 0.03 . 2 . . . B 151 LEU HD11 . 11544 2 384 . 2 2 36 36 LEU HD12 H 1 0.665 0.03 . 2 . . . B 151 LEU HD12 . 11544 2 385 . 2 2 36 36 LEU HD13 H 1 0.665 0.03 . 2 . . . B 151 LEU HD13 . 11544 2 386 . 2 2 36 36 LEU HD21 H 1 0.709 0.03 . 2 . . . B 151 LEU HD21 . 11544 2 387 . 2 2 36 36 LEU HD22 H 1 0.709 0.03 . 2 . . . B 151 LEU HD22 . 11544 2 388 . 2 2 36 36 LEU HD23 H 1 0.709 0.03 . 2 . . . B 151 LEU HD23 . 11544 2 389 . 2 2 36 36 LEU C C 13 178.468 0.100 . 1 . . . B 151 LEU C . 11544 2 390 . 2 2 36 36 LEU CA C 13 58.471 0.100 . 1 . . . B 151 LEU CA . 11544 2 391 . 2 2 36 36 LEU CB C 13 42.212 0.100 . 1 . . . B 151 LEU CB . 11544 2 392 . 2 2 36 36 LEU CG C 13 27.044 0.100 . 1 . . . B 151 LEU CG . 11544 2 393 . 2 2 36 36 LEU CD1 C 13 26.142 0.100 . 2 . . . B 151 LEU CD1 . 11544 2 394 . 2 2 36 36 LEU CD2 C 13 25.053 0.100 . 2 . . . B 151 LEU CD2 . 11544 2 395 . 2 2 36 36 LEU N N 15 117.251 0.3 . 1 . . . B 151 LEU N . 11544 2 396 . 2 2 37 37 SER H H 1 8.612 0.03 . 1 . . . B 152 SER H . 11544 2 397 . 2 2 37 37 SER HA H 1 3.804 0.03 . 1 . . . B 152 SER HA . 11544 2 398 . 2 2 37 37 SER HB2 H 1 3.854 0.03 . 2 . . . B 152 SER HB2 . 11544 2 399 . 2 2 37 37 SER HB3 H 1 3.889 0.03 . 2 . . . B 152 SER HB3 . 11544 2 400 . 2 2 37 37 SER C C 13 176.970 0.100 . 1 . . . B 152 SER C . 11544 2 401 . 2 2 37 37 SER CA C 13 61.524 0.100 . 1 . . . B 152 SER CA . 11544 2 402 . 2 2 37 37 SER CB C 13 63.261 0.100 . 1 . . . B 152 SER CB . 11544 2 403 . 2 2 37 37 SER N N 15 114.384 0.3 . 1 . . . B 152 SER N . 11544 2 404 . 2 2 38 38 ASN H H 1 7.911 0.03 . 1 . . . B 153 ASN H . 11544 2 405 . 2 2 38 38 ASN HA H 1 4.230 0.03 . 1 . . . B 153 ASN HA . 11544 2 406 . 2 2 38 38 ASN HB2 H 1 2.428 0.03 . 2 . . . B 153 ASN HB2 . 11544 2 407 . 2 2 38 38 ASN HB3 H 1 2.492 0.03 . 2 . . . B 153 ASN HB3 . 11544 2 408 . 2 2 38 38 ASN C C 13 178.479 0.100 . 1 . . . B 153 ASN C . 11544 2 409 . 2 2 38 38 ASN CA C 13 56.396 0.100 . 1 . . . B 153 ASN CA . 11544 2 410 . 2 2 38 38 ASN CB C 13 37.935 0.019 . 1 . . . B 153 ASN CB . 11544 2 411 . 2 2 38 38 ASN N N 15 118.649 0.3 . 1 . . . B 153 ASN N . 11544 2 412 . 2 2 39 39 ILE H H 1 7.954 0.03 . 1 . . . B 154 ILE H . 11544 2 413 . 2 2 39 39 ILE HA H 1 3.586 0.03 . 1 . . . B 154 ILE HA . 11544 2 414 . 2 2 39 39 ILE HB H 1 1.750 0.03 . 1 . . . B 154 ILE HB . 11544 2 415 . 2 2 39 39 ILE HG12 H 1 0.860 0.03 . 1 . . . B 154 ILE HG12 . 11544 2 416 . 2 2 39 39 ILE HG13 H 1 0.860 0.03 . 1 . . . B 154 ILE HG13 . 11544 2 417 . 2 2 39 39 ILE HG21 H 1 0.641 0.03 . 1 . . . B 154 ILE HG21 . 11544 2 418 . 2 2 39 39 ILE HG22 H 1 0.641 0.03 . 1 . . . B 154 ILE HG22 . 11544 2 419 . 2 2 39 39 ILE HG23 H 1 0.641 0.03 . 1 . . . B 154 ILE HG23 . 11544 2 420 . 2 2 39 39 ILE HD11 H 1 0.484 0.03 . 1 . . . B 154 ILE HD11 . 11544 2 421 . 2 2 39 39 ILE HD12 H 1 0.484 0.03 . 1 . . . B 154 ILE HD12 . 11544 2 422 . 2 2 39 39 ILE HD13 H 1 0.484 0.03 . 1 . . . B 154 ILE HD13 . 11544 2 423 . 2 2 39 39 ILE C C 13 177.040 0.100 . 1 . . . B 154 ILE C . 11544 2 424 . 2 2 39 39 ILE CA C 13 65.361 0.100 . 1 . . . B 154 ILE CA . 11544 2 425 . 2 2 39 39 ILE CB C 13 37.766 0.100 . 1 . . . B 154 ILE CB . 11544 2 426 . 2 2 39 39 ILE CG1 C 13 29.111 0.100 . 1 . . . B 154 ILE CG1 . 11544 2 427 . 2 2 39 39 ILE CG2 C 13 17.342 0.100 . 1 . . . B 154 ILE CG2 . 11544 2 428 . 2 2 39 39 ILE CD1 C 13 13.414 0.100 . 1 . . . B 154 ILE CD1 . 11544 2 429 . 2 2 39 39 ILE N N 15 121.866 0.3 . 1 . . . B 154 ILE N . 11544 2 430 . 2 2 40 40 ALA H H 1 8.175 0.03 . 1 . . . B 155 ALA H . 11544 2 431 . 2 2 40 40 ALA HA H 1 3.720 0.03 . 1 . . . B 155 ALA HA . 11544 2 432 . 2 2 40 40 ALA HB1 H 1 1.354 0.03 . 1 . . . B 155 ALA HB1 . 11544 2 433 . 2 2 40 40 ALA HB2 H 1 1.354 0.03 . 1 . . . B 155 ALA HB2 . 11544 2 434 . 2 2 40 40 ALA HB3 H 1 1.354 0.03 . 1 . . . B 155 ALA HB3 . 11544 2 435 . 2 2 40 40 ALA C C 13 176.320 0.100 . 1 . . . B 155 ALA C . 11544 2 436 . 2 2 40 40 ALA CA C 13 53.649 0.100 . 1 . . . B 155 ALA CA . 11544 2 437 . 2 2 40 40 ALA CB C 13 18.421 0.100 . 1 . . . B 155 ALA CB . 11544 2 438 . 2 2 40 40 ALA N N 15 118.441 0.3 . 1 . . . B 155 ALA N . 11544 2 439 . 2 2 41 41 SER H H 1 7.252 0.03 . 1 . . . B 156 SER H . 11544 2 440 . 2 2 41 41 SER HA H 1 4.347 0.03 . 1 . . . B 156 SER HA . 11544 2 441 . 2 2 41 41 SER HB2 H 1 4.033 0.03 . 2 . . . B 156 SER HB2 . 11544 2 442 . 2 2 41 41 SER HB3 H 1 3.977 0.03 . 2 . . . B 156 SER HB3 . 11544 2 443 . 2 2 41 41 SER C C 13 174.748 0.100 . 1 . . . B 156 SER C . 11544 2 444 . 2 2 41 41 SER CA C 13 59.805 0.100 . 1 . . . B 156 SER CA . 11544 2 445 . 2 2 41 41 SER CB C 13 63.706 0.100 . 1 . . . B 156 SER CB . 11544 2 446 . 2 2 41 41 SER N N 15 111.306 0.3 . 1 . . . B 156 SER N . 11544 2 447 . 2 2 42 42 GLY H H 1 7.852 0.03 . 1 . . . B 157 GLY H . 11544 2 448 . 2 2 42 42 GLY HA2 H 1 3.675 0.03 . 2 . . . B 157 GLY HA2 . 11544 2 449 . 2 2 42 42 GLY HA3 H 1 4.150 0.03 . 2 . . . B 157 GLY HA3 . 11544 2 450 . 2 2 42 42 GLY CA C 13 45.441 0.100 . 1 . . . B 157 GLY CA . 11544 2 451 . 2 2 42 42 GLY N N 15 108.201 0.3 . 1 . . . B 157 GLY N . 11544 2 452 . 2 2 43 43 GLY H H 1 7.598 0.03 . 1 . . . B 158 GLY H . 11544 2 453 . 2 2 43 43 GLY HA2 H 1 4.109 0.03 . 2 . . . B 158 GLY HA2 . 11544 2 454 . 2 2 43 43 GLY HA3 H 1 4.234 0.03 . 2 . . . B 158 GLY HA3 . 11544 2 455 . 2 2 43 43 GLY CA C 13 44.573 0.018 . 1 . . . B 158 GLY CA . 11544 2 456 . 2 2 43 43 GLY N N 15 104.418 0.3 . 1 . . . B 158 GLY N . 11544 2 457 . 2 2 46 46 GLN H H 1 7.478 0.03 . 1 . . . B 161 GLN H . 11544 2 458 . 2 2 46 46 GLN HA H 1 3.880 0.03 . 1 . . . B 161 GLN HA . 11544 2 459 . 2 2 46 46 GLN HB2 H 1 2.304 0.03 . 1 . . . B 161 GLN HB2 . 11544 2 460 . 2 2 46 46 GLN HE21 H 1 7.908 0.03 . 1 . . . B 161 GLN HE21 . 11544 2 461 . 2 2 46 46 GLN HE22 H 1 6.568 0.03 . 1 . . . B 161 GLN HE22 . 11544 2 462 . 2 2 46 46 GLN C C 13 176.686 0.100 . 1 . . . B 161 GLN C . 11544 2 463 . 2 2 46 46 GLN CA C 13 60.401 0.100 . 1 . . . B 161 GLN CA . 11544 2 464 . 2 2 46 46 GLN CB C 13 28.234 0.100 . 1 . . . B 161 GLN CB . 11544 2 465 . 2 2 46 46 GLN N N 15 121.054 0.3 . 1 . . . B 161 GLN N . 11544 2 466 . 2 2 46 46 GLN NE2 N 15 110.280 0.003 . 1 . . . B 161 GLN NE2 . 11544 2 467 . 2 2 47 47 LYS H H 1 8.185 0.03 . 1 . . . B 162 LYS H . 11544 2 468 . 2 2 47 47 LYS HA H 1 3.615 0.03 . 1 . . . B 162 LYS HA . 11544 2 469 . 2 2 47 47 LYS HB2 H 1 2.000 0.03 . 2 . . . B 162 LYS HB2 . 11544 2 470 . 2 2 47 47 LYS HB3 H 1 1.808 0.03 . 2 . . . B 162 LYS HB3 . 11544 2 471 . 2 2 47 47 LYS HG2 H 1 1.470 0.03 . 2 . . . B 162 LYS HG2 . 11544 2 472 . 2 2 47 47 LYS HG3 H 1 1.327 0.03 . 2 . . . B 162 LYS HG3 . 11544 2 473 . 2 2 47 47 LYS HD2 H 1 1.845 0.03 . 2 . . . B 162 LYS HD2 . 11544 2 474 . 2 2 47 47 LYS HD3 H 1 1.687 0.03 . 2 . . . B 162 LYS HD3 . 11544 2 475 . 2 2 47 47 LYS HE2 H 1 3.050 0.03 . 2 . . . B 162 LYS HE2 . 11544 2 476 . 2 2 47 47 LYS HE3 H 1 2.796 0.03 . 2 . . . B 162 LYS HE3 . 11544 2 477 . 2 2 47 47 LYS C C 13 178.825 0.100 . 1 . . . B 162 LYS C . 11544 2 478 . 2 2 47 47 LYS CA C 13 60.700 0.100 . 1 . . . B 162 LYS CA . 11544 2 479 . 2 2 47 47 LYS CB C 13 32.705 0.002 . 1 . . . B 162 LYS CB . 11544 2 480 . 2 2 47 47 LYS CG C 13 25.711 0.100 . 1 . . . B 162 LYS CG . 11544 2 481 . 2 2 47 47 LYS CD C 13 29.879 0.009 . 1 . . . B 162 LYS CD . 11544 2 482 . 2 2 47 47 LYS CE C 13 42.425 0.055 . 1 . . . B 162 LYS CE . 11544 2 483 . 2 2 47 47 LYS N N 15 118.858 0.3 . 1 . . . B 162 LYS N . 11544 2 484 . 2 2 48 48 GLN H H 1 8.116 0.03 . 1 . . . B 163 GLN H . 11544 2 485 . 2 2 48 48 GLN HA H 1 4.013 0.03 . 1 . . . B 163 GLN HA . 11544 2 486 . 2 2 48 48 GLN HB2 H 1 2.082 0.03 . 2 . . . B 163 GLN HB2 . 11544 2 487 . 2 2 48 48 GLN HB3 H 1 2.155 0.03 . 2 . . . B 163 GLN HB3 . 11544 2 488 . 2 2 48 48 GLN HG2 H 1 2.347 0.03 . 2 . . . B 163 GLN HG2 . 11544 2 489 . 2 2 48 48 GLN HG3 H 1 2.402 0.03 . 2 . . . B 163 GLN HG3 . 11544 2 490 . 2 2 48 48 GLN HE21 H 1 6.760 0.03 . 1 . . . B 163 GLN HE21 . 11544 2 491 . 2 2 48 48 GLN HE22 H 1 7.134 0.03 . 1 . . . B 163 GLN HE22 . 11544 2 492 . 2 2 48 48 GLN C C 13 177.727 0.100 . 1 . . . B 163 GLN C . 11544 2 493 . 2 2 48 48 GLN CA C 13 58.654 0.100 . 1 . . . B 163 GLN CA . 11544 2 494 . 2 2 48 48 GLN CB C 13 27.602 0.015 . 1 . . . B 163 GLN CB . 11544 2 495 . 2 2 48 48 GLN CG C 13 32.848 0.005 . 1 . . . B 163 GLN CG . 11544 2 496 . 2 2 48 48 GLN N N 15 117.387 0.3 . 1 . . . B 163 GLN N . 11544 2 497 . 2 2 48 48 GLN NE2 N 15 110.693 0.006 . 1 . . . B 163 GLN NE2 . 11544 2 498 . 2 2 49 49 ALA H H 1 7.460 0.03 . 1 . . . B 164 ALA H . 11544 2 499 . 2 2 49 49 ALA HA H 1 4.082 0.03 . 1 . . . B 164 ALA HA . 11544 2 500 . 2 2 49 49 ALA HB1 H 1 1.459 0.03 . 1 . . . B 164 ALA HB1 . 11544 2 501 . 2 2 49 49 ALA HB2 H 1 1.459 0.03 . 1 . . . B 164 ALA HB2 . 11544 2 502 . 2 2 49 49 ALA HB3 H 1 1.459 0.03 . 1 . . . B 164 ALA HB3 . 11544 2 503 . 2 2 49 49 ALA C C 13 180.425 0.100 . 1 . . . B 164 ALA C . 11544 2 504 . 2 2 49 49 ALA CA C 13 55.195 0.100 . 1 . . . B 164 ALA CA . 11544 2 505 . 2 2 49 49 ALA CB C 13 17.740 0.100 . 1 . . . B 164 ALA CB . 11544 2 506 . 2 2 49 49 ALA N N 15 121.233 0.3 . 1 . . . B 164 ALA N . 11544 2 507 . 2 2 50 50 VAL H H 1 7.537 0.03 . 1 . . . B 165 VAL H . 11544 2 508 . 2 2 50 50 VAL HA H 1 3.367 0.03 . 1 . . . B 165 VAL HA . 11544 2 509 . 2 2 50 50 VAL HB H 1 2.396 0.03 . 1 . . . B 165 VAL HB . 11544 2 510 . 2 2 50 50 VAL HG11 H 1 0.668 0.03 . 2 . . . B 165 VAL HG11 . 11544 2 511 . 2 2 50 50 VAL HG12 H 1 0.668 0.03 . 2 . . . B 165 VAL HG12 . 11544 2 512 . 2 2 50 50 VAL HG13 H 1 0.668 0.03 . 2 . . . B 165 VAL HG13 . 11544 2 513 . 2 2 50 50 VAL HG21 H 1 0.931 0.03 . 2 . . . B 165 VAL HG21 . 11544 2 514 . 2 2 50 50 VAL HG22 H 1 0.931 0.03 . 2 . . . B 165 VAL HG22 . 11544 2 515 . 2 2 50 50 VAL HG23 H 1 0.931 0.03 . 2 . . . B 165 VAL HG23 . 11544 2 516 . 2 2 50 50 VAL C C 13 177.749 0.100 . 1 . . . B 165 VAL C . 11544 2 517 . 2 2 50 50 VAL CA C 13 67.197 0.100 . 1 . . . B 165 VAL CA . 11544 2 518 . 2 2 50 50 VAL CB C 13 31.624 0.100 . 1 . . . B 165 VAL CB . 11544 2 519 . 2 2 50 50 VAL CG1 C 13 23.611 0.100 . 2 . . . B 165 VAL CG1 . 11544 2 520 . 2 2 50 50 VAL CG2 C 13 21.969 0.100 . 2 . . . B 165 VAL CG2 . 11544 2 521 . 2 2 50 50 VAL N N 15 118.963 0.3 . 1 . . . B 165 VAL N . 11544 2 522 . 2 2 51 51 LYS H H 1 7.847 0.03 . 1 . . . B 166 LYS H . 11544 2 523 . 2 2 51 51 LYS HA H 1 3.851 0.03 . 1 . . . B 166 LYS HA . 11544 2 524 . 2 2 51 51 LYS HB2 H 1 1.959 0.03 . 2 . . . B 166 LYS HB2 . 11544 2 525 . 2 2 51 51 LYS HB3 H 1 1.999 0.03 . 2 . . . B 166 LYS HB3 . 11544 2 526 . 2 2 51 51 LYS HG2 H 1 1.198 0.03 . 2 . . . B 166 LYS HG2 . 11544 2 527 . 2 2 51 51 LYS HG3 H 1 1.690 0.03 . 2 . . . B 166 LYS HG3 . 11544 2 528 . 2 2 51 51 LYS HD2 H 1 1.694 0.03 . 2 . . . B 166 LYS HD2 . 11544 2 529 . 2 2 51 51 LYS HD3 H 1 1.694 0.03 . 2 . . . B 166 LYS HD3 . 11544 2 530 . 2 2 51 51 LYS HE2 H 1 2.830 0.03 . 1 . . . B 166 LYS HE2 . 11544 2 531 . 2 2 51 51 LYS HE3 H 1 2.830 0.03 . 1 . . . B 166 LYS HE3 . 11544 2 532 . 2 2 51 51 LYS C C 13 181.038 0.100 . 1 . . . B 166 LYS C . 11544 2 533 . 2 2 51 51 LYS CA C 13 60.377 0.100 . 1 . . . B 166 LYS CA . 11544 2 534 . 2 2 51 51 LYS CB C 13 31.877 0.100 . 1 . . . B 166 LYS CB . 11544 2 535 . 2 2 51 51 LYS CG C 13 26.398 0.034 . 1 . . . B 166 LYS CG . 11544 2 536 . 2 2 51 51 LYS CD C 13 29.496 0.100 . 1 . . . B 166 LYS CD . 11544 2 537 . 2 2 51 51 LYS CE C 13 42.336 0.100 . 1 . . . B 166 LYS CE . 11544 2 538 . 2 2 51 51 LYS N N 15 118.593 0.3 . 1 . . . B 166 LYS N . 11544 2 539 . 2 2 52 52 GLU H H 1 8.724 0.03 . 1 . . . B 167 GLU H . 11544 2 540 . 2 2 52 52 GLU HA H 1 4.036 0.03 . 1 . . . B 167 GLU HA . 11544 2 541 . 2 2 52 52 GLU HB2 H 1 1.991 0.03 . 2 . . . B 167 GLU HB2 . 11544 2 542 . 2 2 52 52 GLU HB3 H 1 2.064 0.03 . 2 . . . B 167 GLU HB3 . 11544 2 543 . 2 2 52 52 GLU HG2 H 1 2.413 0.03 . 2 . . . B 167 GLU HG2 . 11544 2 544 . 2 2 52 52 GLU HG3 H 1 2.253 0.03 . 2 . . . B 167 GLU HG3 . 11544 2 545 . 2 2 52 52 GLU C C 13 177.103 0.100 . 1 . . . B 167 GLU C . 11544 2 546 . 2 2 52 52 GLU CA C 13 58.762 0.100 . 1 . . . B 167 GLU CA . 11544 2 547 . 2 2 52 52 GLU CB C 13 29.239 0.100 . 1 . . . B 167 GLU CB . 11544 2 548 . 2 2 52 52 GLU CG C 13 36.637 0.010 . 1 . . . B 167 GLU CG . 11544 2 549 . 2 2 52 52 GLU N N 15 120.929 0.3 . 1 . . . B 167 GLU N . 11544 2 550 . 2 2 53 53 ALA H H 1 7.343 0.03 . 1 . . . B 168 ALA H . 11544 2 551 . 2 2 53 53 ALA HA H 1 4.332 0.03 . 1 . . . B 168 ALA HA . 11544 2 552 . 2 2 53 53 ALA HB1 H 1 1.353 0.03 . 1 . . . B 168 ALA HB1 . 11544 2 553 . 2 2 53 53 ALA HB2 H 1 1.353 0.03 . 1 . . . B 168 ALA HB2 . 11544 2 554 . 2 2 53 53 ALA HB3 H 1 1.353 0.03 . 1 . . . B 168 ALA HB3 . 11544 2 555 . 2 2 53 53 ALA C C 13 176.896 0.100 . 1 . . . B 168 ALA C . 11544 2 556 . 2 2 53 53 ALA CA C 13 52.187 0.100 . 1 . . . B 168 ALA CA . 11544 2 557 . 2 2 53 53 ALA CB C 13 18.988 0.100 . 1 . . . B 168 ALA CB . 11544 2 558 . 2 2 53 53 ALA N N 15 118.605 0.3 . 1 . . . B 168 ALA N . 11544 2 559 . 2 2 54 54 GLY H H 1 7.714 0.03 . 1 . . . B 169 GLY H . 11544 2 560 . 2 2 54 54 GLY HA2 H 1 3.949 0.03 . 2 . . . B 169 GLY HA2 . 11544 2 561 . 2 2 54 54 GLY HA3 H 1 4.253 0.03 . 2 . . . B 169 GLY HA3 . 11544 2 562 . 2 2 54 54 GLY C C 13 176.215 0.100 . 1 . . . B 169 GLY C . 11544 2 563 . 2 2 54 54 GLY CA C 13 45.478 0.009 . 1 . . . B 169 GLY CA . 11544 2 564 . 2 2 54 54 GLY N N 15 103.547 0.3 . 1 . . . B 169 GLY N . 11544 2 565 . 2 2 55 55 ALA H H 1 7.099 0.03 . 1 . . . B 170 ALA H . 11544 2 566 . 2 2 55 55 ALA HA H 1 3.823 0.03 . 1 . . . B 170 ALA HA . 11544 2 567 . 2 2 55 55 ALA HB1 H 1 1.063 0.03 . 1 . . . B 170 ALA HB1 . 11544 2 568 . 2 2 55 55 ALA HB2 H 1 1.063 0.03 . 1 . . . B 170 ALA HB2 . 11544 2 569 . 2 2 55 55 ALA HB3 H 1 1.063 0.03 . 1 . . . B 170 ALA HB3 . 11544 2 570 . 2 2 55 55 ALA C C 13 178.562 0.100 . 1 . . . B 170 ALA C . 11544 2 571 . 2 2 55 55 ALA CA C 13 54.902 0.100 . 1 . . . B 170 ALA CA . 11544 2 572 . 2 2 55 55 ALA CB C 13 20.560 0.100 . 1 . . . B 170 ALA CB . 11544 2 573 . 2 2 55 55 ALA N N 15 116.680 0.3 . 1 . . . B 170 ALA N . 11544 2 574 . 2 2 56 56 LEU H H 1 8.816 0.03 . 1 . . . B 171 LEU H . 11544 2 575 . 2 2 56 56 LEU HA H 1 3.684 0.03 . 1 . . . B 171 LEU HA . 11544 2 576 . 2 2 56 56 LEU HB2 H 1 1.699 0.03 . 2 . . . B 171 LEU HB2 . 11544 2 577 . 2 2 56 56 LEU HB3 H 1 1.506 0.03 . 2 . . . B 171 LEU HB3 . 11544 2 578 . 2 2 56 56 LEU HG H 1 1.606 0.03 . 1 . . . B 171 LEU HG . 11544 2 579 . 2 2 56 56 LEU HD11 H 1 0.751 0.03 . 2 . . . B 171 LEU HD11 . 11544 2 580 . 2 2 56 56 LEU HD12 H 1 0.751 0.03 . 2 . . . B 171 LEU HD12 . 11544 2 581 . 2 2 56 56 LEU HD13 H 1 0.751 0.03 . 2 . . . B 171 LEU HD13 . 11544 2 582 . 2 2 56 56 LEU HD21 H 1 0.862 0.03 . 2 . . . B 171 LEU HD21 . 11544 2 583 . 2 2 56 56 LEU HD22 H 1 0.862 0.03 . 2 . . . B 171 LEU HD22 . 11544 2 584 . 2 2 56 56 LEU HD23 H 1 0.862 0.03 . 2 . . . B 171 LEU HD23 . 11544 2 585 . 2 2 56 56 LEU C C 13 178.565 0.100 . 1 . . . B 171 LEU C . 11544 2 586 . 2 2 56 56 LEU CA C 13 59.700 0.100 . 1 . . . B 171 LEU CA . 11544 2 587 . 2 2 56 56 LEU CB C 13 40.546 0.013 . 1 . . . B 171 LEU CB . 11544 2 588 . 2 2 56 56 LEU CG C 13 27.692 0.100 . 1 . . . B 171 LEU CG . 11544 2 589 . 2 2 56 56 LEU CD1 C 13 24.245 0.100 . 2 . . . B 171 LEU CD1 . 11544 2 590 . 2 2 56 56 LEU CD2 C 13 25.457 0.100 . 2 . . . B 171 LEU CD2 . 11544 2 591 . 2 2 56 56 LEU N N 15 115.731 0.3 . 1 . . . B 171 LEU N . 11544 2 592 . 2 2 57 57 GLU H H 1 8.173 0.03 . 1 . . . B 172 GLU H . 11544 2 593 . 2 2 57 57 GLU HA H 1 3.982 0.03 . 1 . . . B 172 GLU HA . 11544 2 594 . 2 2 57 57 GLU HB2 H 1 1.869 0.03 . 2 . . . B 172 GLU HB2 . 11544 2 595 . 2 2 57 57 GLU HB3 H 1 2.001 0.03 . 2 . . . B 172 GLU HB3 . 11544 2 596 . 2 2 57 57 GLU HG2 H 1 2.254 0.03 . 2 . . . B 172 GLU HG2 . 11544 2 597 . 2 2 57 57 GLU HG3 H 1 2.191 0.03 . 2 . . . B 172 GLU HG3 . 11544 2 598 . 2 2 57 57 GLU C C 13 179.260 0.100 . 1 . . . B 172 GLU C . 11544 2 599 . 2 2 57 57 GLU CA C 13 59.554 0.100 . 1 . . . B 172 GLU CA . 11544 2 600 . 2 2 57 57 GLU CB C 13 29.127 0.100 . 1 . . . B 172 GLU CB . 11544 2 601 . 2 2 57 57 GLU CG C 13 36.586 0.040 . 1 . . . B 172 GLU CG . 11544 2 602 . 2 2 57 57 GLU N N 15 116.588 0.3 . 1 . . . B 172 GLU N . 11544 2 603 . 2 2 58 58 LYS H H 1 6.740 0.03 . 1 . . . B 173 LYS H . 11544 2 604 . 2 2 58 58 LYS HA H 1 4.102 0.03 . 1 . . . B 173 LYS HA . 11544 2 605 . 2 2 58 58 LYS HB2 H 1 1.640 0.03 . 2 . . . B 173 LYS HB2 . 11544 2 606 . 2 2 58 58 LYS HB3 H 1 1.788 0.03 . 2 . . . B 173 LYS HB3 . 11544 2 607 . 2 2 58 58 LYS HG2 H 1 1.443 0.03 . 2 . . . B 173 LYS HG2 . 11544 2 608 . 2 2 58 58 LYS HG3 H 1 1.384 0.03 . 2 . . . B 173 LYS HG3 . 11544 2 609 . 2 2 58 58 LYS HD2 H 1 1.522 0.03 . 2 . . . B 173 LYS HD2 . 11544 2 610 . 2 2 58 58 LYS HD3 H 1 1.491 0.03 . 2 . . . B 173 LYS HD3 . 11544 2 611 . 2 2 58 58 LYS HE2 H 1 2.947 0.03 . 2 . . . B 173 LYS HE2 . 11544 2 612 . 2 2 58 58 LYS HE3 H 1 2.809 0.03 . 2 . . . B 173 LYS HE3 . 11544 2 613 . 2 2 58 58 LYS C C 13 179.074 0.100 . 1 . . . B 173 LYS C . 11544 2 614 . 2 2 58 58 LYS CA C 13 57.154 0.100 . 1 . . . B 173 LYS CA . 11544 2 615 . 2 2 58 58 LYS CB C 13 32.640 0.056 . 1 . . . B 173 LYS CB . 11544 2 616 . 2 2 58 58 LYS CG C 13 24.756 0.020 . 1 . . . B 173 LYS CG . 11544 2 617 . 2 2 58 58 LYS CD C 13 27.900 0.100 . 1 . . . B 173 LYS CD . 11544 2 618 . 2 2 58 58 LYS CE C 13 42.180 0.100 . 1 . . . B 173 LYS CE . 11544 2 619 . 2 2 58 58 LYS N N 15 115.481 0.3 . 1 . . . B 173 LYS N . 11544 2 620 . 2 2 59 59 LEU H H 1 8.342 0.03 . 1 . . . B 174 LEU H . 11544 2 621 . 2 2 59 59 LEU HA H 1 3.890 0.03 . 1 . . . B 174 LEU HA . 11544 2 622 . 2 2 59 59 LEU HB2 H 1 1.259 0.03 . 2 . . . B 174 LEU HB2 . 11544 2 623 . 2 2 59 59 LEU HB3 H 1 1.964 0.03 . 2 . . . B 174 LEU HB3 . 11544 2 624 . 2 2 59 59 LEU HG H 1 0.563 0.03 . 1 . . . B 174 LEU HG . 11544 2 625 . 2 2 59 59 LEU HD11 H 1 0.716 0.03 . 1 . . . B 174 LEU HD11 . 11544 2 626 . 2 2 59 59 LEU HD12 H 1 0.716 0.03 . 1 . . . B 174 LEU HD12 . 11544 2 627 . 2 2 59 59 LEU HD13 H 1 0.716 0.03 . 1 . . . B 174 LEU HD13 . 11544 2 628 . 2 2 59 59 LEU C C 13 179.022 0.100 . 1 . . . B 174 LEU C . 11544 2 629 . 2 2 59 59 LEU CA C 13 58.125 0.100 . 1 . . . B 174 LEU CA . 11544 2 630 . 2 2 59 59 LEU CB C 13 41.821 0.010 . 1 . . . B 174 LEU CB . 11544 2 631 . 2 2 59 59 LEU CG C 13 25.905 0.100 . 1 . . . B 174 LEU CG . 11544 2 632 . 2 2 59 59 LEU CD2 C 13 23.625 0.100 . 1 . . . B 174 LEU CD2 . 11544 2 633 . 2 2 59 59 LEU N N 15 119.401 0.3 . 1 . . . B 174 LEU N . 11544 2 634 . 2 2 60 60 GLU H H 1 8.193 0.03 . 1 . . . B 175 GLU H . 11544 2 635 . 2 2 60 60 GLU HA H 1 4.034 0.03 . 1 . . . B 175 GLU HA . 11544 2 636 . 2 2 60 60 GLU HB2 H 1 1.947 0.03 . 2 . . . B 175 GLU HB2 . 11544 2 637 . 2 2 60 60 GLU HB3 H 1 2.041 0.03 . 2 . . . B 175 GLU HB3 . 11544 2 638 . 2 2 60 60 GLU HG2 H 1 2.084 0.03 . 2 . . . B 175 GLU HG2 . 11544 2 639 . 2 2 60 60 GLU HG3 H 1 2.327 0.03 . 2 . . . B 175 GLU HG3 . 11544 2 640 . 2 2 60 60 GLU C C 13 180.128 0.100 . 1 . . . B 175 GLU C . 11544 2 641 . 2 2 60 60 GLU CA C 13 59.176 0.100 . 1 . . . B 175 GLU CA . 11544 2 642 . 2 2 60 60 GLU CB C 13 29.344 0.100 . 1 . . . B 175 GLU CB . 11544 2 643 . 2 2 60 60 GLU CG C 13 36.766 0.057 . 1 . . . B 175 GLU CG . 11544 2 644 . 2 2 60 60 GLU N N 15 117.294 0.3 . 1 . . . B 175 GLU N . 11544 2 645 . 2 2 61 61 GLN H H 1 7.301 0.03 . 1 . . . B 176 GLN H . 11544 2 646 . 2 2 61 61 GLN HA H 1 4.087 0.03 . 1 . . . B 176 GLN HA . 11544 2 647 . 2 2 61 61 GLN HB2 H 1 2.182 0.03 . 2 . . . B 176 GLN HB2 . 11544 2 648 . 2 2 61 61 GLN HB3 H 1 2.073 0.03 . 2 . . . B 176 GLN HB3 . 11544 2 649 . 2 2 61 61 GLN HG2 H 1 2.396 0.03 . 2 . . . B 176 GLN HG2 . 11544 2 650 . 2 2 61 61 GLN HG3 H 1 2.547 0.03 . 2 . . . B 176 GLN HG3 . 11544 2 651 . 2 2 61 61 GLN HE21 H 1 7.488 0.03 . 1 . . . B 176 GLN HE21 . 11544 2 652 . 2 2 61 61 GLN HE22 H 1 6.895 0.03 . 1 . . . B 176 GLN HE22 . 11544 2 653 . 2 2 61 61 GLN C C 13 178.761 0.100 . 1 . . . B 176 GLN C . 11544 2 654 . 2 2 61 61 GLN CA C 13 58.387 0.100 . 1 . . . B 176 GLN CA . 11544 2 655 . 2 2 61 61 GLN CB C 13 28.231 0.044 . 1 . . . B 176 GLN CB . 11544 2 656 . 2 2 61 61 GLN CG C 13 33.803 0.100 . 1 . . . B 176 GLN CG . 11544 2 657 . 2 2 61 61 GLN N N 15 117.989 0.3 . 1 . . . B 176 GLN N . 11544 2 658 . 2 2 61 61 GLN NE2 N 15 111.076 0.3 . 1 . . . B 176 GLN NE2 . 11544 2 659 . 2 2 62 62 LEU H H 1 7.819 0.03 . 1 . . . B 177 LEU H . 11544 2 660 . 2 2 62 62 LEU HA H 1 4.268 0.03 . 1 . . . B 177 LEU HA . 11544 2 661 . 2 2 62 62 LEU HB2 H 1 1.329 0.03 . 2 . . . B 177 LEU HB2 . 11544 2 662 . 2 2 62 62 LEU HB3 H 1 1.905 0.03 . 2 . . . B 177 LEU HB3 . 11544 2 663 . 2 2 62 62 LEU HG H 1 1.923 0.03 . 1 . . . B 177 LEU HG . 11544 2 664 . 2 2 62 62 LEU HD11 H 1 1.017 0.03 . 2 . . . B 177 LEU HD11 . 11544 2 665 . 2 2 62 62 LEU HD12 H 1 1.017 0.03 . 2 . . . B 177 LEU HD12 . 11544 2 666 . 2 2 62 62 LEU HD13 H 1 1.017 0.03 . 2 . . . B 177 LEU HD13 . 11544 2 667 . 2 2 62 62 LEU HD21 H 1 0.741 0.03 . 2 . . . B 177 LEU HD21 . 11544 2 668 . 2 2 62 62 LEU HD22 H 1 0.741 0.03 . 2 . . . B 177 LEU HD22 . 11544 2 669 . 2 2 62 62 LEU HD23 H 1 0.741 0.03 . 2 . . . B 177 LEU HD23 . 11544 2 670 . 2 2 62 62 LEU C C 13 177.521 0.100 . 1 . . . B 177 LEU C . 11544 2 671 . 2 2 62 62 LEU CA C 13 56.413 0.100 . 1 . . . B 177 LEU CA . 11544 2 672 . 2 2 62 62 LEU CB C 13 42.455 0.031 . 1 . . . B 177 LEU CB . 11544 2 673 . 2 2 62 62 LEU CG C 13 26.957 0.100 . 1 . . . B 177 LEU CG . 11544 2 674 . 2 2 62 62 LEU CD1 C 13 23.467 0.100 . 2 . . . B 177 LEU CD1 . 11544 2 675 . 2 2 62 62 LEU CD2 C 13 23.791 0.100 . 2 . . . B 177 LEU CD2 . 11544 2 676 . 2 2 62 62 LEU N N 15 119.400 0.3 . 1 . . . B 177 LEU N . 11544 2 677 . 2 2 63 63 GLN H H 1 7.424 0.03 . 1 . . . B 178 GLN H . 11544 2 678 . 2 2 63 63 GLN HA H 1 4.102 0.03 . 1 . . . B 178 GLN HA . 11544 2 679 . 2 2 63 63 GLN HB2 H 1 2.161 0.03 . 1 . . . B 178 GLN HB2 . 11544 2 680 . 2 2 63 63 GLN HB3 H 1 2.161 0.03 . 1 . . . B 178 GLN HB3 . 11544 2 681 . 2 2 63 63 GLN HG2 H 1 2.544 0.03 . 2 . . . B 178 GLN HG2 . 11544 2 682 . 2 2 63 63 GLN HG3 H 1 2.278 0.03 . 2 . . . B 178 GLN HG3 . 11544 2 683 . 2 2 63 63 GLN HE21 H 1 7.118 0.03 . 1 . . . B 178 GLN HE21 . 11544 2 684 . 2 2 63 63 GLN HE22 H 1 6.654 0.03 . 1 . . . B 178 GLN HE22 . 11544 2 685 . 2 2 63 63 GLN C C 13 175.674 0.100 . 1 . . . B 178 GLN C . 11544 2 686 . 2 2 63 63 GLN CA C 13 58.505 0.100 . 1 . . . B 178 GLN CA . 11544 2 687 . 2 2 63 63 GLN CB C 13 29.046 0.100 . 1 . . . B 178 GLN CB . 11544 2 688 . 2 2 63 63 GLN CG C 13 35.019 0.008 . 1 . . . B 178 GLN CG . 11544 2 689 . 2 2 63 63 GLN N N 15 115.861 0.3 . 1 . . . B 178 GLN N . 11544 2 690 . 2 2 63 63 GLN NE2 N 15 109.904 0.001 . 1 . . . B 178 GLN NE2 . 11544 2 691 . 2 2 64 64 SER H H 1 7.496 0.03 . 1 . . . B 179 SER H . 11544 2 692 . 2 2 64 64 SER HA H 1 4.599 0.03 . 1 . . . B 179 SER HA . 11544 2 693 . 2 2 64 64 SER HB2 H 1 3.832 0.03 . 2 . . . B 179 SER HB2 . 11544 2 694 . 2 2 64 64 SER HB3 H 1 3.911 0.03 . 2 . . . B 179 SER HB3 . 11544 2 695 . 2 2 64 64 SER C C 13 173.976 0.100 . 1 . . . B 179 SER C . 11544 2 696 . 2 2 64 64 SER CA C 13 57.019 0.100 . 1 . . . B 179 SER CA . 11544 2 697 . 2 2 64 64 SER CB C 13 63.605 0.025 . 1 . . . B 179 SER CB . 11544 2 698 . 2 2 64 64 SER N N 15 110.699 0.3 . 1 . . . B 179 SER N . 11544 2 699 . 2 2 65 65 HIS H H 1 7.525 0.03 . 1 . . . B 180 HIS H . 11544 2 700 . 2 2 65 65 HIS HA H 1 3.872 0.03 . 1 . . . B 180 HIS HA . 11544 2 701 . 2 2 65 65 HIS HB2 H 1 2.782 0.03 . 2 . . . B 180 HIS HB2 . 11544 2 702 . 2 2 65 65 HIS HB3 H 1 3.199 0.03 . 2 . . . B 180 HIS HB3 . 11544 2 703 . 2 2 65 65 HIS C C 13 174.642 0.100 . 1 . . . B 180 HIS C . 11544 2 704 . 2 2 65 65 HIS CA C 13 59.671 0.100 . 1 . . . B 180 HIS CA . 11544 2 705 . 2 2 65 65 HIS CB C 13 31.966 0.003 . 1 . . . B 180 HIS CB . 11544 2 706 . 2 2 65 65 HIS N N 15 124.870 0.3 . 1 . . . B 180 HIS N . 11544 2 707 . 2 2 66 66 GLU H H 1 7.897 0.03 . 1 . . . B 181 GLU H . 11544 2 708 . 2 2 66 66 GLU HA H 1 3.918 0.03 . 1 . . . B 181 GLU HA . 11544 2 709 . 2 2 66 66 GLU HB2 H 1 1.892 0.03 . 2 . . . B 181 GLU HB2 . 11544 2 710 . 2 2 66 66 GLU HB3 H 1 1.967 0.03 . 2 . . . B 181 GLU HB3 . 11544 2 711 . 2 2 66 66 GLU HG2 H 1 2.186 0.03 . 2 . . . B 181 GLU HG2 . 11544 2 712 . 2 2 66 66 GLU HG3 H 1 2.148 0.03 . 2 . . . B 181 GLU HG3 . 11544 2 713 . 2 2 66 66 GLU C C 13 177.148 0.100 . 1 . . . B 181 GLU C . 11544 2 714 . 2 2 66 66 GLU CA C 13 58.817 0.100 . 1 . . . B 181 GLU CA . 11544 2 715 . 2 2 66 66 GLU CB C 13 29.904 0.040 . 1 . . . B 181 GLU CB . 11544 2 716 . 2 2 66 66 GLU CG C 13 36.273 0.020 . 1 . . . B 181 GLU CG . 11544 2 717 . 2 2 66 66 GLU N N 15 123.852 0.3 . 1 . . . B 181 GLU N . 11544 2 718 . 2 2 67 67 ASN H H 1 11.490 0.03 . 1 . . . B 182 ASN H . 11544 2 719 . 2 2 67 67 ASN HA H 1 4.707 0.03 . 1 . . . B 182 ASN HA . 11544 2 720 . 2 2 67 67 ASN HB2 H 1 2.928 0.03 . 2 . . . B 182 ASN HB2 . 11544 2 721 . 2 2 67 67 ASN HB3 H 1 3.288 0.03 . 2 . . . B 182 ASN HB3 . 11544 2 722 . 2 2 67 67 ASN HD21 H 1 8.007 0.03 . 1 . . . B 182 ASN HD21 . 11544 2 723 . 2 2 67 67 ASN HD22 H 1 6.888 0.03 . 1 . . . B 182 ASN HD22 . 11544 2 724 . 2 2 67 67 ASN C C 13 176.259 0.100 . 1 . . . B 182 ASN C . 11544 2 725 . 2 2 67 67 ASN CA C 13 53.227 0.100 . 1 . . . B 182 ASN CA . 11544 2 726 . 2 2 67 67 ASN CB C 13 38.868 0.007 . 1 . . . B 182 ASN CB . 11544 2 727 . 2 2 67 67 ASN N N 15 124.219 0.3 . 1 . . . B 182 ASN N . 11544 2 728 . 2 2 67 67 ASN ND2 N 15 113.019 0.002 . 1 . . . B 182 ASN ND2 . 11544 2 729 . 2 2 68 68 GLU H H 1 8.965 0.03 . 1 . . . B 183 GLU H . 11544 2 730 . 2 2 68 68 GLU HA H 1 3.918 0.03 . 1 . . . B 183 GLU HA . 11544 2 731 . 2 2 68 68 GLU HB2 H 1 2.045 0.03 . 2 . . . B 183 GLU HB2 . 11544 2 732 . 2 2 68 68 GLU HB3 H 1 1.825 0.03 . 2 . . . B 183 GLU HB3 . 11544 2 733 . 2 2 68 68 GLU HG2 H 1 2.353 0.03 . 2 . . . B 183 GLU HG2 . 11544 2 734 . 2 2 68 68 GLU HG3 H 1 2.268 0.03 . 2 . . . B 183 GLU HG3 . 11544 2 735 . 2 2 68 68 GLU C C 13 177.940 0.100 . 1 . . . B 183 GLU C . 11544 2 736 . 2 2 68 68 GLU CA C 13 59.543 0.100 . 1 . . . B 183 GLU CA . 11544 2 737 . 2 2 68 68 GLU CB C 13 29.535 0.100 . 1 . . . B 183 GLU CB . 11544 2 738 . 2 2 68 68 GLU CG C 13 36.428 0.030 . 1 . . . B 183 GLU CG . 11544 2 739 . 2 2 68 68 GLU N N 15 127.530 0.3 . 1 . . . B 183 GLU N . 11544 2 740 . 2 2 69 69 LYS H H 1 8.159 0.03 . 1 . . . B 184 LYS H . 11544 2 741 . 2 2 69 69 LYS HA H 1 4.039 0.03 . 1 . . . B 184 LYS HA . 11544 2 742 . 2 2 69 69 LYS HB2 H 1 1.821 0.03 . 2 . . . B 184 LYS HB2 . 11544 2 743 . 2 2 69 69 LYS HB3 H 1 1.949 0.03 . 2 . . . B 184 LYS HB3 . 11544 2 744 . 2 2 69 69 LYS HG2 H 1 1.360 0.03 . 2 . . . B 184 LYS HG2 . 11544 2 745 . 2 2 69 69 LYS HG3 H 1 1.475 0.03 . 2 . . . B 184 LYS HG3 . 11544 2 746 . 2 2 69 69 LYS HD2 H 1 2.951 0.03 . 1 . . . B 184 LYS HD2 . 11544 2 747 . 2 2 69 69 LYS HD3 H 1 2.951 0.03 . 1 . . . B 184 LYS HD3 . 11544 2 748 . 2 2 69 69 LYS HE3 H 1 2.783 0.03 . 1 . . . B 184 LYS HE3 . 11544 2 749 . 2 2 69 69 LYS C C 13 179.215 0.100 . 1 . . . B 184 LYS C . 11544 2 750 . 2 2 69 69 LYS CA C 13 59.332 0.100 . 1 . . . B 184 LYS CA . 11544 2 751 . 2 2 69 69 LYS CB C 13 32.029 0.012 . 1 . . . B 184 LYS CB . 11544 2 752 . 2 2 69 69 LYS CG C 13 25.235 0.034 . 1 . . . B 184 LYS CG . 11544 2 753 . 2 2 69 69 LYS CD C 13 29.103 0.100 . 1 . . . B 184 LYS CD . 11544 2 754 . 2 2 69 69 LYS CE C 13 42.211 0.100 . 1 . . . B 184 LYS CE . 11544 2 755 . 2 2 69 69 LYS N N 15 119.401 0.3 . 1 . . . B 184 LYS N . 11544 2 756 . 2 2 70 70 ILE H H 1 7.124 0.03 . 1 . . . B 185 ILE H . 11544 2 757 . 2 2 70 70 ILE HA H 1 3.377 0.03 . 1 . . . B 185 ILE HA . 11544 2 758 . 2 2 70 70 ILE HB H 1 1.730 0.03 . 1 . . . B 185 ILE HB . 11544 2 759 . 2 2 70 70 ILE HG12 H 1 1.148 0.03 . 2 . . . B 185 ILE HG12 . 11544 2 760 . 2 2 70 70 ILE HG13 H 1 0.685 0.03 . 2 . . . B 185 ILE HG13 . 11544 2 761 . 2 2 70 70 ILE HG21 H 1 0.438 0.03 . 1 . . . B 185 ILE HG21 . 11544 2 762 . 2 2 70 70 ILE HG22 H 1 0.438 0.03 . 1 . . . B 185 ILE HG22 . 11544 2 763 . 2 2 70 70 ILE HG23 H 1 0.438 0.03 . 1 . . . B 185 ILE HG23 . 11544 2 764 . 2 2 70 70 ILE HD11 H 1 0.430 0.03 . 1 . . . B 185 ILE HD11 . 11544 2 765 . 2 2 70 70 ILE HD12 H 1 0.430 0.03 . 1 . . . B 185 ILE HD12 . 11544 2 766 . 2 2 70 70 ILE HD13 H 1 0.430 0.03 . 1 . . . B 185 ILE HD13 . 11544 2 767 . 2 2 70 70 ILE C C 13 177.039 0.100 . 1 . . . B 185 ILE C . 11544 2 768 . 2 2 70 70 ILE CA C 13 64.302 0.100 . 1 . . . B 185 ILE CA . 11544 2 769 . 2 2 70 70 ILE CB C 13 36.560 0.100 . 1 . . . B 185 ILE CB . 11544 2 770 . 2 2 70 70 ILE CG1 C 13 29.172 0.022 . 1 . . . B 185 ILE CG1 . 11544 2 771 . 2 2 70 70 ILE CG2 C 13 17.242 0.100 . 1 . . . B 185 ILE CG2 . 11544 2 772 . 2 2 70 70 ILE CD1 C 13 11.572 0.100 . 1 . . . B 185 ILE CD1 . 11544 2 773 . 2 2 70 70 ILE N N 15 119.849 0.3 . 1 . . . B 185 ILE N . 11544 2 774 . 2 2 71 71 GLN H H 1 8.011 0.03 . 1 . . . B 186 GLN H . 11544 2 775 . 2 2 71 71 GLN HA H 1 3.974 0.03 . 1 . . . B 186 GLN HA . 11544 2 776 . 2 2 71 71 GLN HB2 H 1 2.237 0.03 . 2 . . . B 186 GLN HB2 . 11544 2 777 . 2 2 71 71 GLN HB3 H 1 1.932 0.03 . 2 . . . B 186 GLN HB3 . 11544 2 778 . 2 2 71 71 GLN HG2 H 1 2.549 0.03 . 2 . . . B 186 GLN HG2 . 11544 2 779 . 2 2 71 71 GLN HG3 H 1 2.372 0.03 . 2 . . . B 186 GLN HG3 . 11544 2 780 . 2 2 71 71 GLN HE21 H 1 6.891 0.03 . 1 . . . B 186 GLN HE21 . 11544 2 781 . 2 2 71 71 GLN HE22 H 1 7.740 0.03 . 1 . . . B 186 GLN HE22 . 11544 2 782 . 2 2 71 71 GLN C C 13 178.899 0.100 . 1 . . . B 186 GLN C . 11544 2 783 . 2 2 71 71 GLN CA C 13 59.566 0.100 . 1 . . . B 186 GLN CA . 11544 2 784 . 2 2 71 71 GLN CB C 13 28.651 0.074 . 1 . . . B 186 GLN CB . 11544 2 785 . 2 2 71 71 GLN CG C 13 33.681 0.100 . 1 . . . B 186 GLN CG . 11544 2 786 . 2 2 71 71 GLN N N 15 117.770 0.3 . 1 . . . B 186 GLN N . 11544 2 787 . 2 2 71 71 GLN NE2 N 15 112.624 0.002 . 1 . . . B 186 GLN NE2 . 11544 2 788 . 2 2 72 72 LYS H H 1 7.699 0.03 . 1 . . . B 187 LYS H . 11544 2 789 . 2 2 72 72 LYS HA H 1 4.017 0.03 . 1 . . . B 187 LYS HA . 11544 2 790 . 2 2 72 72 LYS HB2 H 1 1.895 0.03 . 2 . . . B 187 LYS HB2 . 11544 2 791 . 2 2 72 72 LYS HB3 H 1 1.953 0.03 . 2 . . . B 187 LYS HB3 . 11544 2 792 . 2 2 72 72 LYS HG2 H 1 1.427 0.03 . 2 . . . B 187 LYS HG2 . 11544 2 793 . 2 2 72 72 LYS HG3 H 1 1.544 0.03 . 2 . . . B 187 LYS HG3 . 11544 2 794 . 2 2 72 72 LYS HD2 H 1 1.654 0.03 . 1 . . . B 187 LYS HD2 . 11544 2 795 . 2 2 72 72 LYS HD3 H 1 1.654 0.03 . 1 . . . B 187 LYS HD3 . 11544 2 796 . 2 2 72 72 LYS HE2 H 1 2.949 0.03 . 2 . . . B 187 LYS HE2 . 11544 2 797 . 2 2 72 72 LYS HE3 H 1 2.775 0.03 . 2 . . . B 187 LYS HE3 . 11544 2 798 . 2 2 72 72 LYS C C 13 179.237 0.100 . 1 . . . B 187 LYS C . 11544 2 799 . 2 2 72 72 LYS CA C 13 59.189 0.100 . 1 . . . B 187 LYS CA . 11544 2 800 . 2 2 72 72 LYS CB C 13 32.517 0.013 . 1 . . . B 187 LYS CB . 11544 2 801 . 2 2 72 72 LYS CG C 13 24.856 0.100 . 1 . . . B 187 LYS CG . 11544 2 802 . 2 2 72 72 LYS CD C 13 29.074 0.100 . 1 . . . B 187 LYS CD . 11544 2 803 . 2 2 72 72 LYS CE C 13 42.136 0.100 . 1 . . . B 187 LYS CE . 11544 2 804 . 2 2 72 72 LYS N N 15 117.299 0.3 . 1 . . . B 187 LYS N . 11544 2 805 . 2 2 73 73 GLU H H 1 7.957 0.03 . 1 . . . B 188 GLU H . 11544 2 806 . 2 2 73 73 GLU HA H 1 4.044 0.03 . 1 . . . B 188 GLU HA . 11544 2 807 . 2 2 73 73 GLU HB2 H 1 1.956 0.03 . 2 . . . B 188 GLU HB2 . 11544 2 808 . 2 2 73 73 GLU HB3 H 1 2.023 0.03 . 2 . . . B 188 GLU HB3 . 11544 2 809 . 2 2 73 73 GLU HG2 H 1 2.264 0.03 . 2 . . . B 188 GLU HG2 . 11544 2 810 . 2 2 73 73 GLU HG3 H 1 2.417 0.03 . 2 . . . B 188 GLU HG3 . 11544 2 811 . 2 2 73 73 GLU C C 13 179.801 0.100 . 1 . . . B 188 GLU C . 11544 2 812 . 2 2 73 73 GLU CA C 13 58.805 0.100 . 1 . . . B 188 GLU CA . 11544 2 813 . 2 2 73 73 GLU CB C 13 29.383 0.100 . 1 . . . B 188 GLU CB . 11544 2 814 . 2 2 73 73 GLU CG C 13 36.674 0.100 . 1 . . . B 188 GLU CG . 11544 2 815 . 2 2 73 73 GLU N N 15 119.276 0.3 . 1 . . . B 188 GLU N . 11544 2 816 . 2 2 74 74 ALA H H 1 8.848 0.03 . 1 . . . B 189 ALA H . 11544 2 817 . 2 2 74 74 ALA HA H 1 3.954 0.03 . 1 . . . B 189 ALA HA . 11544 2 818 . 2 2 74 74 ALA HB1 H 1 1.355 0.03 . 1 . . . B 189 ALA HB1 . 11544 2 819 . 2 2 74 74 ALA HB2 H 1 1.355 0.03 . 1 . . . B 189 ALA HB2 . 11544 2 820 . 2 2 74 74 ALA HB3 H 1 1.355 0.03 . 1 . . . B 189 ALA HB3 . 11544 2 821 . 2 2 74 74 ALA C C 13 178.883 0.100 . 1 . . . B 189 ALA C . 11544 2 822 . 2 2 74 74 ALA CA C 13 55.457 0.100 . 1 . . . B 189 ALA CA . 11544 2 823 . 2 2 74 74 ALA CB C 13 18.352 0.100 . 1 . . . B 189 ALA CB . 11544 2 824 . 2 2 74 74 ALA N N 15 122.245 0.3 . 1 . . . B 189 ALA N . 11544 2 825 . 2 2 75 75 GLN H H 1 8.071 0.03 . 1 . . . B 190 GLN H . 11544 2 826 . 2 2 75 75 GLN HA H 1 3.973 0.03 . 1 . . . B 190 GLN HA . 11544 2 827 . 2 2 75 75 GLN HB2 H 1 2.140 0.03 . 2 . . . B 190 GLN HB2 . 11544 2 828 . 2 2 75 75 GLN HB3 H 1 2.075 0.03 . 2 . . . B 190 GLN HB3 . 11544 2 829 . 2 2 75 75 GLN HG2 H 1 2.303 0.03 . 2 . . . B 190 GLN HG2 . 11544 2 830 . 2 2 75 75 GLN HG3 H 1 2.441 0.03 . 2 . . . B 190 GLN HG3 . 11544 2 831 . 2 2 75 75 GLN C C 13 178.641 0.100 . 1 . . . B 190 GLN C . 11544 2 832 . 2 2 75 75 GLN CA C 13 59.370 0.100 . 1 . . . B 190 GLN CA . 11544 2 833 . 2 2 75 75 GLN CB C 13 29.620 0.047 . 1 . . . B 190 GLN CB . 11544 2 834 . 2 2 75 75 GLN CG C 13 37.523 0.074 . 1 . . . B 190 GLN CG . 11544 2 835 . 2 2 75 75 GLN N N 15 117.860 0.3 . 1 . . . B 190 GLN N . 11544 2 836 . 2 2 76 76 GLU H H 1 8.121 0.03 . 1 . . . B 191 GLU H . 11544 2 837 . 2 2 76 76 GLU HA H 1 4.027 0.03 . 1 . . . B 191 GLU HA . 11544 2 838 . 2 2 76 76 GLU HB2 H 1 2.061 0.03 . 2 . . . B 191 GLU HB2 . 11544 2 839 . 2 2 76 76 GLU HB3 H 1 2.012 0.03 . 2 . . . B 191 GLU HB3 . 11544 2 840 . 2 2 76 76 GLU HG2 H 1 2.329 0.03 . 2 . . . B 191 GLU HG2 . 11544 2 841 . 2 2 76 76 GLU HG3 H 1 2.380 0.03 . 2 . . . B 191 GLU HG3 . 11544 2 842 . 2 2 76 76 GLU C C 13 179.089 0.100 . 1 . . . B 191 GLU C . 11544 2 843 . 2 2 76 76 GLU CA C 13 59.316 0.100 . 1 . . . B 191 GLU CA . 11544 2 844 . 2 2 76 76 GLU CB C 13 29.407 0.100 . 1 . . . B 191 GLU CB . 11544 2 845 . 2 2 76 76 GLU CG C 13 36.607 0.100 . 1 . . . B 191 GLU CG . 11544 2 846 . 2 2 76 76 GLU N N 15 118.887 0.3 . 1 . . . B 191 GLU N . 11544 2 847 . 2 2 77 77 ALA H H 1 8.049 0.03 . 1 . . . B 192 ALA H . 11544 2 848 . 2 2 77 77 ALA HA H 1 3.921 0.03 . 1 . . . B 192 ALA HA . 11544 2 849 . 2 2 77 77 ALA HB1 H 1 1.308 0.03 . 1 . . . B 192 ALA HB1 . 11544 2 850 . 2 2 77 77 ALA HB2 H 1 1.308 0.03 . 1 . . . B 192 ALA HB2 . 11544 2 851 . 2 2 77 77 ALA HB3 H 1 1.308 0.03 . 1 . . . B 192 ALA HB3 . 11544 2 852 . 2 2 77 77 ALA C C 13 179.060 0.100 . 1 . . . B 192 ALA C . 11544 2 853 . 2 2 77 77 ALA CA C 13 55.375 0.100 . 1 . . . B 192 ALA CA . 11544 2 854 . 2 2 77 77 ALA CB C 13 17.863 0.100 . 1 . . . B 192 ALA CB . 11544 2 855 . 2 2 77 77 ALA N N 15 121.486 0.3 . 1 . . . B 192 ALA N . 11544 2 856 . 2 2 78 78 LEU H H 1 8.192 0.03 . 1 . . . B 193 LEU H . 11544 2 857 . 2 2 78 78 LEU HA H 1 3.733 0.03 . 1 . . . B 193 LEU HA . 11544 2 858 . 2 2 78 78 LEU HB2 H 1 1.658 0.03 . 2 . . . B 193 LEU HB2 . 11544 2 859 . 2 2 78 78 LEU HB3 H 1 1.533 0.03 . 2 . . . B 193 LEU HB3 . 11544 2 860 . 2 2 78 78 LEU HG H 1 1.636 0.03 . 1 . . . B 193 LEU HG . 11544 2 861 . 2 2 78 78 LEU HD11 H 1 0.729 0.03 . 2 . . . B 193 LEU HD11 . 11544 2 862 . 2 2 78 78 LEU HD12 H 1 0.729 0.03 . 2 . . . B 193 LEU HD12 . 11544 2 863 . 2 2 78 78 LEU HD13 H 1 0.729 0.03 . 2 . . . B 193 LEU HD13 . 11544 2 864 . 2 2 78 78 LEU HD21 H 1 0.730 0.03 . 2 . . . B 193 LEU HD21 . 11544 2 865 . 2 2 78 78 LEU HD22 H 1 0.730 0.03 . 2 . . . B 193 LEU HD22 . 11544 2 866 . 2 2 78 78 LEU HD23 H 1 0.730 0.03 . 2 . . . B 193 LEU HD23 . 11544 2 867 . 2 2 78 78 LEU C C 13 179.058 0.100 . 1 . . . B 193 LEU C . 11544 2 868 . 2 2 78 78 LEU CA C 13 58.506 0.100 . 1 . . . B 193 LEU CA . 11544 2 869 . 2 2 78 78 LEU CB C 13 41.961 0.015 . 1 . . . B 193 LEU CB . 11544 2 870 . 2 2 78 78 LEU CG C 13 27.034 0.100 . 1 . . . B 193 LEU CG . 11544 2 871 . 2 2 78 78 LEU CD1 C 13 24.871 0.100 . 2 . . . B 193 LEU CD1 . 11544 2 872 . 2 2 78 78 LEU CD2 C 13 24.816 0.100 . 2 . . . B 193 LEU CD2 . 11544 2 873 . 2 2 78 78 LEU N N 15 118.319 0.3 . 1 . . . B 193 LEU N . 11544 2 874 . 2 2 79 79 GLU H H 1 7.965 0.03 . 1 . . . B 194 GLU H . 11544 2 875 . 2 2 79 79 GLU HA H 1 3.986 0.03 . 1 . . . B 194 GLU HA . 11544 2 876 . 2 2 79 79 GLU HB2 H 1 2.061 0.03 . 2 . . . B 194 GLU HB2 . 11544 2 877 . 2 2 79 79 GLU HB3 H 1 2.130 0.03 . 2 . . . B 194 GLU HB3 . 11544 2 878 . 2 2 79 79 GLU HG3 H 1 2.381 0.03 . 1 . . . B 194 GLU HG3 . 11544 2 879 . 2 2 79 79 GLU C C 13 179.826 0.100 . 1 . . . B 194 GLU C . 11544 2 880 . 2 2 79 79 GLU CA C 13 59.465 0.100 . 1 . . . B 194 GLU CA . 11544 2 881 . 2 2 79 79 GLU CB C 13 29.130 0.100 . 1 . . . B 194 GLU CB . 11544 2 882 . 2 2 79 79 GLU CG C 13 36.528 0.100 . 1 . . . B 194 GLU CG . 11544 2 883 . 2 2 79 79 GLU N N 15 118.382 0.3 . 1 . . . B 194 GLU N . 11544 2 884 . 2 2 80 80 LYS H H 1 7.682 0.03 . 1 . . . B 195 LYS H . 11544 2 885 . 2 2 80 80 LYS HA H 1 3.985 0.03 . 1 . . . B 195 LYS HA . 11544 2 886 . 2 2 80 80 LYS HB2 H 1 1.735 0.03 . 2 . . . B 195 LYS HB2 . 11544 2 887 . 2 2 80 80 LYS HB3 H 1 1.872 0.03 . 2 . . . B 195 LYS HB3 . 11544 2 888 . 2 2 80 80 LYS HG2 H 1 1.391 0.03 . 2 . . . B 195 LYS HG2 . 11544 2 889 . 2 2 80 80 LYS HG3 H 1 1.611 0.03 . 2 . . . B 195 LYS HG3 . 11544 2 890 . 2 2 80 80 LYS HD2 H 1 1.490 0.03 . 2 . . . B 195 LYS HD2 . 11544 2 891 . 2 2 80 80 LYS HD3 H 1 1.572 0.03 . 2 . . . B 195 LYS HD3 . 11544 2 892 . 2 2 80 80 LYS HE2 H 1 2.785 0.03 . 2 . . . B 195 LYS HE2 . 11544 2 893 . 2 2 80 80 LYS HE3 H 1 2.945 0.03 . 2 . . . B 195 LYS HE3 . 11544 2 894 . 2 2 80 80 LYS C C 13 178.776 0.100 . 1 . . . B 195 LYS C . 11544 2 895 . 2 2 80 80 LYS CA C 13 59.160 0.100 . 1 . . . B 195 LYS CA . 11544 2 896 . 2 2 80 80 LYS CB C 13 32.665 0.072 . 1 . . . B 195 LYS CB . 11544 2 897 . 2 2 80 80 LYS CG C 13 25.393 0.069 . 1 . . . B 195 LYS CG . 11544 2 898 . 2 2 80 80 LYS CD C 13 29.813 0.018 . 1 . . . B 195 LYS CD . 11544 2 899 . 2 2 80 80 LYS CE C 13 42.121 0.100 . 1 . . . B 195 LYS CE . 11544 2 900 . 2 2 80 80 LYS N N 15 118.218 0.3 . 1 . . . B 195 LYS N . 11544 2 901 . 2 2 81 81 LEU H H 1 7.740 0.03 . 1 . . . B 196 LEU H . 11544 2 902 . 2 2 81 81 LEU HA H 1 4.020 0.03 . 1 . . . B 196 LEU HA . 11544 2 903 . 2 2 81 81 LEU HB2 H 1 1.796 0.03 . 2 . . . B 196 LEU HB2 . 11544 2 904 . 2 2 81 81 LEU HB3 H 1 1.365 0.03 . 2 . . . B 196 LEU HB3 . 11544 2 905 . 2 2 81 81 LEU HG H 1 1.939 0.03 . 1 . . . B 196 LEU HG . 11544 2 906 . 2 2 81 81 LEU HD11 H 1 0.742 0.03 . 2 . . . B 196 LEU HD11 . 11544 2 907 . 2 2 81 81 LEU HD12 H 1 0.742 0.03 . 2 . . . B 196 LEU HD12 . 11544 2 908 . 2 2 81 81 LEU HD13 H 1 0.742 0.03 . 2 . . . B 196 LEU HD13 . 11544 2 909 . 2 2 81 81 LEU HD21 H 1 0.597 0.03 . 2 . . . B 196 LEU HD21 . 11544 2 910 . 2 2 81 81 LEU HD22 H 1 0.597 0.03 . 2 . . . B 196 LEU HD22 . 11544 2 911 . 2 2 81 81 LEU HD23 H 1 0.597 0.03 . 2 . . . B 196 LEU HD23 . 11544 2 912 . 2 2 81 81 LEU C C 13 177.019 0.100 . 1 . . . B 196 LEU C . 11544 2 913 . 2 2 81 81 LEU CA C 13 56.476 0.100 . 1 . . . B 196 LEU CA . 11544 2 914 . 2 2 81 81 LEU CB C 13 42.797 0.001 . 1 . . . B 196 LEU CB . 11544 2 915 . 2 2 81 81 LEU CG C 13 26.951 0.100 . 1 . . . B 196 LEU CG . 11544 2 916 . 2 2 81 81 LEU CD1 C 13 23.855 0.100 . 2 . . . B 196 LEU CD1 . 11544 2 917 . 2 2 81 81 LEU CD2 C 13 25.834 0.100 . 2 . . . B 196 LEU CD2 . 11544 2 918 . 2 2 81 81 LEU N N 15 116.925 0.3 . 1 . . . B 196 LEU N . 11544 2 919 . 2 2 82 82 GLN H H 1 7.622 0.03 . 1 . . . B 197 GLN H . 11544 2 920 . 2 2 82 82 GLN HA H 1 4.309 0.03 . 1 . . . B 197 GLN HA . 11544 2 921 . 2 2 82 82 GLN HB2 H 1 1.938 0.03 . 2 . . . B 197 GLN HB2 . 11544 2 922 . 2 2 82 82 GLN HB3 H 1 2.054 0.03 . 2 . . . B 197 GLN HB3 . 11544 2 923 . 2 2 82 82 GLN HG2 H 1 2.377 0.03 . 2 . . . B 197 GLN HG2 . 11544 2 924 . 2 2 82 82 GLN HG3 H 1 2.240 0.03 . 2 . . . B 197 GLN HG3 . 11544 2 925 . 2 2 82 82 GLN HE21 H 1 6.685 0.03 . 1 . . . B 197 GLN HE21 . 11544 2 926 . 2 2 82 82 GLN HE22 H 1 7.439 0.03 . 1 . . . B 197 GLN HE22 . 11544 2 927 . 2 2 82 82 GLN CA C 13 55.939 0.100 . 1 . . . B 197 GLN CA . 11544 2 928 . 2 2 82 82 GLN CB C 13 29.455 0.100 . 1 . . . B 197 GLN CB . 11544 2 929 . 2 2 82 82 GLN CG C 13 34.001 0.032 . 1 . . . B 197 GLN CG . 11544 2 930 . 2 2 82 82 GLN N N 15 115.762 0.3 . 1 . . . B 197 GLN N . 11544 2 931 . 2 2 82 82 GLN NE2 N 15 110.785 0.006 . 1 . . . B 197 GLN NE2 . 11544 2 932 . 2 2 83 83 SER HA H 1 4.345 0.03 . 1 . . . B 198 SER HA . 11544 2 933 . 2 2 83 83 SER HB2 H 1 3.849 0.03 . 2 . . . B 198 SER HB2 . 11544 2 934 . 2 2 83 83 SER HB3 H 1 3.779 0.03 . 2 . . . B 198 SER HB3 . 11544 2 935 . 2 2 83 83 SER CA C 13 58.549 0.100 . 1 . . . B 198 SER CA . 11544 2 936 . 2 2 83 83 SER CB C 13 64.029 0.081 . 1 . . . B 198 SER CB . 11544 2 937 . 2 2 84 84 HIS H H 1 7.971 0.03 . 1 . . . B 199 HIS H . 11544 2 938 . 2 2 84 84 HIS HA H 1 4.405 0.03 . 1 . . . B 199 HIS HA . 11544 2 939 . 2 2 84 84 HIS HB2 H 1 2.973 0.03 . 2 . . . B 199 HIS HB2 . 11544 2 940 . 2 2 84 84 HIS HB3 H 1 3.102 0.03 . 2 . . . B 199 HIS HB3 . 11544 2 941 . 2 2 84 84 HIS CA C 13 57.655 0.100 . 1 . . . B 199 HIS CA . 11544 2 942 . 2 2 84 84 HIS CB C 13 31.040 0.013 . 1 . . . B 199 HIS CB . 11544 2 943 . 2 2 84 84 HIS N N 15 126.098 0.3 . 1 . . . B 199 HIS N . 11544 2 stop_ save_