data_17850 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17850 _Entry.Title ; Solution structure of Ca2+/CNA1 peptide-bound yCaM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-10 _Entry.Accession_date 2011-08-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kenji Ogura . . . 17850 2 Kiyohiro Takahashi . . . 17850 3 Yoshihiro Kobashigawa . . . 17850 4 Ryosuke Yoshida . . . 17850 5 Hiroyuki Itoh . . . 17850 6 Michio Yazawa . . . 17850 7 Fuyuhiko Inagaki . . . 17850 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' . 17850 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calmodulin . 17850 CNA1 . 17850 yeast . 17850 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17850 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 757 17850 '15N chemical shifts' 199 17850 '1H chemical shifts' 1248 17850 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-08-10 update BMRB 'update entry citation' 17850 1 . . 2012-02-01 2011-08-10 original author 'original release' 17850 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17849 yCaM 17850 PDB 2LHI 'BMRB Entry Tracking System' 17850 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17850 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22280008 _Citation.Full_citation . _Citation.Title 'Solution structures of yeast Saccharomyces cerevisiae calmodulin in calcium- and target peptide-bound states reveal similarities and differences to vertebrate calmodulin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Cells' _Citation.Journal_name_full 'Genes to cells : devoted to molecular & cellular mechanisms' _Citation.Journal_volume 17 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 159 _Citation.Page_last 172 _Citation.Year 2012 _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 Kenji Ogura . . . 17850 1 2 Hiroyuki Kumeta . . . 17850 1 3 Kiyohiro Takahasi . . . 17850 1 4 Yoshihiro Kobashigawa . . . 17850 1 5 Ryosuke Yoshida . . . 17850 1 6 Hiroyuki Itoh . . . 17850 1 7 Michio Yazawa . . . 17850 1 8 Fuyuhiko Inagaki . . . 17850 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17850 _Assembly.ID 1 _Assembly.Name yCaM_GS_CNA1 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 yCaM_GS_CNA1 1 $yCaM_GS_CNA1 A . yes native no no . . . 17850 1 2 'CALCIUM ION_1' 2 $CA B . no native no no . . . 17850 1 3 'CALCIUM ION_2' 2 $CA C . no native no no . . . 17850 1 4 'CALCIUM ION_3' 2 $CA D . no native no no . . . 17850 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yCaM_GS_CNA1 _Entity.Sf_category entity _Entity.Sf_framecode yCaM_GS_CNA1 _Entity.Entry_ID 17850 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yCaM_GS_CNA1 _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 ; GSSNLTEEQIAEFKEAFALF DKDNNGSISSSELATVMRSL GLSPSEAEVNDLMNEIDVDG NHQIEFSEFLALMSRQLKSN DSEQELLEAFKVFDKNGDGL ISAAELKHVLTSIGEKLTDA EVDDMLREVSDGSGEINIQQ FAALLSKGSSTGTRRKALRN KILAIAKVSRMFSVLR ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19281.693 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LKJ . "Nmr Structure Of Apo Calmodulin From Yeast Saccharomyces Cerevisiae" . . . . . 82.95 146 100.00 100.00 7.73e-96 . . . . 17850 1 2 no PDB 2LHI . "Solution Structure Of Ca2+CNA1 PEPTIDE-Bound Ycam" . . . . . 100.00 176 100.00 100.00 6.31e-119 . . . . 17850 1 3 no DBJ GAA21657 . "K7_Cmd1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 82.95 147 99.32 99.32 4.89e-95 . . . . 17850 1 4 no EMBL CAA55612 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 5 no EMBL CAA85064 . "CMD1 [Saccharomyces cerevisiae]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 6 no EMBL CAG58389 . "unnamed protein product [Candida glabrata]" . . . . . 82.95 147 98.63 99.32 2.21e-94 . . . . 17850 1 7 no EMBL CAR27417 . "ZYRO0C16346p [Zygosaccharomyces rouxii]" . . . . . 82.95 148 97.26 99.32 2.54e-93 . . . . 17850 1 8 no EMBL CBK39182 . "Cmd1p [Saccharomyces cerevisiae EC1118]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 9 no GB AAA34504 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 10 no GB AAC68888 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 11 no GB AAS56510 . "YBR109C [Saccharomyces cerevisiae]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 12 no GB AHY74589 . "Cmd1p [Saccharomyces cerevisiae YJM993]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 13 no GB AJP37188 . "Cmd1p [Saccharomyces cerevisiae YJM1078]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 14 no REF NP_009667 . "calmodulin [Saccharomyces cerevisiae S288c]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 15 no REF XP_001642859 . "hypothetical protein Kpol_376p14 [Vanderwaltozyma polyspora DSM 70294]" . . . . . 82.95 147 97.26 99.32 3.65e-92 . . . . 17850 1 16 no REF XP_002496350 . "ZYRO0C16346p [Zygosaccharomyces rouxii]" . . . . . 82.95 148 97.26 99.32 2.54e-93 . . . . 17850 1 17 no REF XP_003678123 . "hypothetical protein NCAS_0I01100 [Naumovozyma castellii CBS 4309]" . . . . . 82.95 147 97.26 99.32 4.89e-93 . . . . 17850 1 18 no REF XP_003680602 . "hypothetical protein TDEL_0C05020 [Torulaspora delbrueckii]" . . . . . 82.95 147 97.95 99.32 1.05e-93 . . . . 17850 1 19 no SP P06787 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 1 20 no TPG DAA07228 . "TPA: calmodulin [Saccharomyces cerevisiae S288c]" . . . . . 82.95 147 100.00 100.00 6.93e-96 . . . . 17850 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 . 17850 1 2 2 SER . 17850 1 3 3 SER . 17850 1 4 4 ASN . 17850 1 5 5 LEU . 17850 1 6 6 THR . 17850 1 7 7 GLU . 17850 1 8 8 GLU . 17850 1 9 9 GLN . 17850 1 10 10 ILE . 17850 1 11 11 ALA . 17850 1 12 12 GLU . 17850 1 13 13 PHE . 17850 1 14 14 LYS . 17850 1 15 15 GLU . 17850 1 16 16 ALA . 17850 1 17 17 PHE . 17850 1 18 18 ALA . 17850 1 19 19 LEU . 17850 1 20 20 PHE . 17850 1 21 21 ASP . 17850 1 22 22 LYS . 17850 1 23 23 ASP . 17850 1 24 24 ASN . 17850 1 25 25 ASN . 17850 1 26 26 GLY . 17850 1 27 27 SER . 17850 1 28 28 ILE . 17850 1 29 29 SER . 17850 1 30 30 SER . 17850 1 31 31 SER . 17850 1 32 32 GLU . 17850 1 33 33 LEU . 17850 1 34 34 ALA . 17850 1 35 35 THR . 17850 1 36 36 VAL . 17850 1 37 37 MET . 17850 1 38 38 ARG . 17850 1 39 39 SER . 17850 1 40 40 LEU . 17850 1 41 41 GLY . 17850 1 42 42 LEU . 17850 1 43 43 SER . 17850 1 44 44 PRO . 17850 1 45 45 SER . 17850 1 46 46 GLU . 17850 1 47 47 ALA . 17850 1 48 48 GLU . 17850 1 49 49 VAL . 17850 1 50 50 ASN . 17850 1 51 51 ASP . 17850 1 52 52 LEU . 17850 1 53 53 MET . 17850 1 54 54 ASN . 17850 1 55 55 GLU . 17850 1 56 56 ILE . 17850 1 57 57 ASP . 17850 1 58 58 VAL . 17850 1 59 59 ASP . 17850 1 60 60 GLY . 17850 1 61 61 ASN . 17850 1 62 62 HIS . 17850 1 63 63 GLN . 17850 1 64 64 ILE . 17850 1 65 65 GLU . 17850 1 66 66 PHE . 17850 1 67 67 SER . 17850 1 68 68 GLU . 17850 1 69 69 PHE . 17850 1 70 70 LEU . 17850 1 71 71 ALA . 17850 1 72 72 LEU . 17850 1 73 73 MET . 17850 1 74 74 SER . 17850 1 75 75 ARG . 17850 1 76 76 GLN . 17850 1 77 77 LEU . 17850 1 78 78 LYS . 17850 1 79 79 SER . 17850 1 80 80 ASN . 17850 1 81 81 ASP . 17850 1 82 82 SER . 17850 1 83 83 GLU . 17850 1 84 84 GLN . 17850 1 85 85 GLU . 17850 1 86 86 LEU . 17850 1 87 87 LEU . 17850 1 88 88 GLU . 17850 1 89 89 ALA . 17850 1 90 90 PHE . 17850 1 91 91 LYS . 17850 1 92 92 VAL . 17850 1 93 93 PHE . 17850 1 94 94 ASP . 17850 1 95 95 LYS . 17850 1 96 96 ASN . 17850 1 97 97 GLY . 17850 1 98 98 ASP . 17850 1 99 99 GLY . 17850 1 100 100 LEU . 17850 1 101 101 ILE . 17850 1 102 102 SER . 17850 1 103 103 ALA . 17850 1 104 104 ALA . 17850 1 105 105 GLU . 17850 1 106 106 LEU . 17850 1 107 107 LYS . 17850 1 108 108 HIS . 17850 1 109 109 VAL . 17850 1 110 110 LEU . 17850 1 111 111 THR . 17850 1 112 112 SER . 17850 1 113 113 ILE . 17850 1 114 114 GLY . 17850 1 115 115 GLU . 17850 1 116 116 LYS . 17850 1 117 117 LEU . 17850 1 118 118 THR . 17850 1 119 119 ASP . 17850 1 120 120 ALA . 17850 1 121 121 GLU . 17850 1 122 122 VAL . 17850 1 123 123 ASP . 17850 1 124 124 ASP . 17850 1 125 125 MET . 17850 1 126 126 LEU . 17850 1 127 127 ARG . 17850 1 128 128 GLU . 17850 1 129 129 VAL . 17850 1 130 130 SER . 17850 1 131 131 ASP . 17850 1 132 132 GLY . 17850 1 133 133 SER . 17850 1 134 134 GLY . 17850 1 135 135 GLU . 17850 1 136 136 ILE . 17850 1 137 137 ASN . 17850 1 138 138 ILE . 17850 1 139 139 GLN . 17850 1 140 140 GLN . 17850 1 141 141 PHE . 17850 1 142 142 ALA . 17850 1 143 143 ALA . 17850 1 144 144 LEU . 17850 1 145 145 LEU . 17850 1 146 146 SER . 17850 1 147 147 LYS . 17850 1 148 148 GLY . 17850 1 149 149 SER . 17850 1 150 150 SER . 17850 1 151 151 THR . 17850 1 152 152 GLY . 17850 1 153 153 THR . 17850 1 154 154 ARG . 17850 1 155 155 ARG . 17850 1 156 156 LYS . 17850 1 157 157 ALA . 17850 1 158 158 LEU . 17850 1 159 159 ARG . 17850 1 160 160 ASN . 17850 1 161 161 LYS . 17850 1 162 162 ILE . 17850 1 163 163 LEU . 17850 1 164 164 ALA . 17850 1 165 165 ILE . 17850 1 166 166 ALA . 17850 1 167 167 LYS . 17850 1 168 168 VAL . 17850 1 169 169 SER . 17850 1 170 170 ARG . 17850 1 171 171 MET . 17850 1 172 172 PHE . 17850 1 173 173 SER . 17850 1 174 174 VAL . 17850 1 175 175 LEU . 17850 1 176 176 ARG . 17850 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 17850 1 . SER 2 2 17850 1 . SER 3 3 17850 1 . ASN 4 4 17850 1 . LEU 5 5 17850 1 . THR 6 6 17850 1 . GLU 7 7 17850 1 . GLU 8 8 17850 1 . GLN 9 9 17850 1 . ILE 10 10 17850 1 . ALA 11 11 17850 1 . GLU 12 12 17850 1 . PHE 13 13 17850 1 . LYS 14 14 17850 1 . GLU 15 15 17850 1 . ALA 16 16 17850 1 . PHE 17 17 17850 1 . ALA 18 18 17850 1 . LEU 19 19 17850 1 . PHE 20 20 17850 1 . ASP 21 21 17850 1 . LYS 22 22 17850 1 . ASP 23 23 17850 1 . ASN 24 24 17850 1 . ASN 25 25 17850 1 . GLY 26 26 17850 1 . SER 27 27 17850 1 . ILE 28 28 17850 1 . SER 29 29 17850 1 . SER 30 30 17850 1 . SER 31 31 17850 1 . GLU 32 32 17850 1 . LEU 33 33 17850 1 . ALA 34 34 17850 1 . THR 35 35 17850 1 . VAL 36 36 17850 1 . MET 37 37 17850 1 . ARG 38 38 17850 1 . SER 39 39 17850 1 . LEU 40 40 17850 1 . GLY 41 41 17850 1 . LEU 42 42 17850 1 . SER 43 43 17850 1 . PRO 44 44 17850 1 . SER 45 45 17850 1 . GLU 46 46 17850 1 . ALA 47 47 17850 1 . GLU 48 48 17850 1 . VAL 49 49 17850 1 . ASN 50 50 17850 1 . ASP 51 51 17850 1 . LEU 52 52 17850 1 . MET 53 53 17850 1 . ASN 54 54 17850 1 . GLU 55 55 17850 1 . ILE 56 56 17850 1 . ASP 57 57 17850 1 . VAL 58 58 17850 1 . ASP 59 59 17850 1 . GLY 60 60 17850 1 . ASN 61 61 17850 1 . HIS 62 62 17850 1 . GLN 63 63 17850 1 . ILE 64 64 17850 1 . GLU 65 65 17850 1 . PHE 66 66 17850 1 . SER 67 67 17850 1 . GLU 68 68 17850 1 . PHE 69 69 17850 1 . LEU 70 70 17850 1 . ALA 71 71 17850 1 . LEU 72 72 17850 1 . MET 73 73 17850 1 . SER 74 74 17850 1 . ARG 75 75 17850 1 . GLN 76 76 17850 1 . LEU 77 77 17850 1 . LYS 78 78 17850 1 . SER 79 79 17850 1 . ASN 80 80 17850 1 . ASP 81 81 17850 1 . SER 82 82 17850 1 . GLU 83 83 17850 1 . GLN 84 84 17850 1 . GLU 85 85 17850 1 . LEU 86 86 17850 1 . LEU 87 87 17850 1 . GLU 88 88 17850 1 . ALA 89 89 17850 1 . PHE 90 90 17850 1 . LYS 91 91 17850 1 . VAL 92 92 17850 1 . PHE 93 93 17850 1 . ASP 94 94 17850 1 . LYS 95 95 17850 1 . ASN 96 96 17850 1 . GLY 97 97 17850 1 . ASP 98 98 17850 1 . GLY 99 99 17850 1 . LEU 100 100 17850 1 . ILE 101 101 17850 1 . SER 102 102 17850 1 . ALA 103 103 17850 1 . ALA 104 104 17850 1 . GLU 105 105 17850 1 . LEU 106 106 17850 1 . LYS 107 107 17850 1 . HIS 108 108 17850 1 . VAL 109 109 17850 1 . LEU 110 110 17850 1 . THR 111 111 17850 1 . SER 112 112 17850 1 . ILE 113 113 17850 1 . GLY 114 114 17850 1 . GLU 115 115 17850 1 . LYS 116 116 17850 1 . LEU 117 117 17850 1 . THR 118 118 17850 1 . ASP 119 119 17850 1 . ALA 120 120 17850 1 . GLU 121 121 17850 1 . VAL 122 122 17850 1 . ASP 123 123 17850 1 . ASP 124 124 17850 1 . MET 125 125 17850 1 . LEU 126 126 17850 1 . ARG 127 127 17850 1 . GLU 128 128 17850 1 . VAL 129 129 17850 1 . SER 130 130 17850 1 . ASP 131 131 17850 1 . GLY 132 132 17850 1 . SER 133 133 17850 1 . GLY 134 134 17850 1 . GLU 135 135 17850 1 . ILE 136 136 17850 1 . ASN 137 137 17850 1 . ILE 138 138 17850 1 . GLN 139 139 17850 1 . GLN 140 140 17850 1 . PHE 141 141 17850 1 . ALA 142 142 17850 1 . ALA 143 143 17850 1 . LEU 144 144 17850 1 . LEU 145 145 17850 1 . SER 146 146 17850 1 . LYS 147 147 17850 1 . GLY 148 148 17850 1 . SER 149 149 17850 1 . SER 150 150 17850 1 . THR 151 151 17850 1 . GLY 152 152 17850 1 . THR 153 153 17850 1 . ARG 154 154 17850 1 . ARG 155 155 17850 1 . LYS 156 156 17850 1 . ALA 157 157 17850 1 . LEU 158 158 17850 1 . ARG 159 159 17850 1 . ASN 160 160 17850 1 . LYS 161 161 17850 1 . ILE 162 162 17850 1 . LEU 163 163 17850 1 . ALA 164 164 17850 1 . ILE 165 165 17850 1 . ALA 166 166 17850 1 . LYS 167 167 17850 1 . VAL 168 168 17850 1 . SER 169 169 17850 1 . ARG 170 170 17850 1 . MET 171 171 17850 1 . PHE 172 172 17850 1 . SER 173 173 17850 1 . VAL 174 174 17850 1 . LEU 175 175 17850 1 . ARG 176 176 17850 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17850 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 17850 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 17850 _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 $yCaM_GS_CNA1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17850 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 17850 _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 $yCaM_GS_CNA1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6p . . . . . . 17850 1 2 2 $CA . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17850 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17850 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 14:38:08 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 17850 CA [Ca++] SMILES CACTVS 3.341 17850 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17850 CA [Ca+2] SMILES ACDLabs 10.04 17850 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17850 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17850 CA InChI=1S/Ca/q+2 InChI InChI 1.03 17850 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17850 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17850 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17850 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 17850 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 yCaM_GS_CNA1 '[U-99% 13C; U-99% 15N]' . . 1 $yCaM_GS_CNA1 . . 1 . . mM . . . . 17850 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17850 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17850 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17850 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17850 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17850 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17850 _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' 150 . mM 17850 1 pH 6.3 . pH 17850 1 pressure 1 . atm 17850 1 temperature 298 . K 17850 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17850 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17850 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17850 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17850 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17850 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17850 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17850 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17850 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17850 3 'peak picking' 17850 3 refinement 17850 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17850 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17850 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17850 4 'structure solution' 17850 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17850 _Software.ID 5 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17850 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17850 5 stop_ save_ save_RNMRTK _Software.Sf_category software _Software.Sf_framecode RNMRTK _Software.Entry_ID 17850 _Software.ID 6 _Software.Name RNMRTK _Software.Version v3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mobli M, Maciejewski MW, Gryk MR, Hoch JC.' . . 17850 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17850 6 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 17850 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17850 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17850 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17850 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17850 1 2 spectrometer_2 Varian INOVA . 800 . . . 17850 1 3 spectrometer_3 Varian INOVA . 600 . . . 17850 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 17850 _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 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17850 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17850 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17850 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 6 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 8 '3D HNCACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 11 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17850 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17850 1 13 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17850 1 14 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17850 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17850 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17850 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17850 1 18 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17850 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 17850 _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 . . . . . . . . . 17850 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 17850 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17850 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 17850 _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' . . . 17850 1 2 '2D 1H-13C HSQC aliphatic' . . . 17850 1 3 '2D 1H-13C HSQC aromatic' . . . 17850 1 15 '3D 1H-15N NOESY' . . . 17850 1 16 '3D 1H-13C NOESY aliphatic' . . . 17850 1 17 '3D 1H-13C NOESY aromatic' . . . 17850 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.970 0.000 . . . . . A 1 GLY HA2 . 17850 1 2 . 1 1 1 1 GLY HA3 H 1 4.002 0.000 . . . . . A 1 GLY HA3 . 17850 1 3 . 1 1 1 1 GLY H H 1 8.410 0.000 . 1 . . . A 1 GLY H1 . 17850 1 4 . 1 1 1 1 GLY CA C 13 45.436 0.001 . . . . . A 1 GLY CA . 17850 1 5 . 1 1 1 1 GLY N N 15 109.911 0.000 . . . . . A 1 GLY N . 17850 1 6 . 1 1 2 2 SER H H 1 8.207 0.000 . 1 . . . A 2 SER H . 17850 1 7 . 1 1 2 2 SER HA H 1 4.474 0.000 . 1 . . . A 2 SER HA . 17850 1 8 . 1 1 2 2 SER HB2 H 1 3.819 0.000 . 2 . . . A 2 SER HB2 . 17850 1 9 . 1 1 2 2 SER HB3 H 1 3.902 0.000 . 2 . . . A 2 SER HB3 . 17850 1 10 . 1 1 2 2 SER C C 13 174.661 0.000 . 1 . . . A 2 SER C . 17850 1 11 . 1 1 2 2 SER CA C 13 58.374 0.000 . 1 . . . A 2 SER CA . 17850 1 12 . 1 1 2 2 SER CB C 13 63.986 0.001 . 1 . . . A 2 SER CB . 17850 1 13 . 1 1 2 2 SER N N 15 115.579 0.000 . 1 . . . A 2 SER N . 17850 1 14 . 1 1 3 3 SER H H 1 8.337 0.000 . 1 . . . A 3 SER H . 17850 1 15 . 1 1 3 3 SER HA H 1 4.439 0.000 . 1 . . . A 3 SER HA . 17850 1 16 . 1 1 3 3 SER HB2 H 1 3.855 0.000 . 2 . . . A 3 SER HB2 . 17850 1 17 . 1 1 3 3 SER HB3 H 1 3.855 0.000 . 2 . . . A 3 SER HB3 . 17850 1 18 . 1 1 3 3 SER C C 13 174.122 0.000 . 1 . . . A 3 SER C . 17850 1 19 . 1 1 3 3 SER CA C 13 58.695 0.000 . 1 . . . A 3 SER CA . 17850 1 20 . 1 1 3 3 SER CB C 13 63.865 0.000 . 1 . . . A 3 SER CB . 17850 1 21 . 1 1 3 3 SER N N 15 117.154 0.000 . 1 . . . A 3 SER N . 17850 1 22 . 1 1 4 4 ASN H H 1 8.432 0.000 . 1 . . . A 4 ASN H . 17850 1 23 . 1 1 4 4 ASN HA H 1 4.726 0.000 . 1 . . . A 4 ASN HA . 17850 1 24 . 1 1 4 4 ASN HB2 H 1 2.753 0.000 . 2 . . . A 4 ASN HB2 . 17850 1 25 . 1 1 4 4 ASN HB3 H 1 2.852 0.000 . 2 . . . A 4 ASN HB3 . 17850 1 26 . 1 1 4 4 ASN HD21 H 1 7.566 0.001 . 2 . . . A 4 ASN HD21 . 17850 1 27 . 1 1 4 4 ASN HD22 H 1 6.883 0.000 . 2 . . . A 4 ASN HD22 . 17850 1 28 . 1 1 4 4 ASN C C 13 174.741 0.000 . 1 . . . A 4 ASN C . 17850 1 29 . 1 1 4 4 ASN CA C 13 53.326 0.000 . 1 . . . A 4 ASN CA . 17850 1 30 . 1 1 4 4 ASN CB C 13 38.802 0.002 . 1 . . . A 4 ASN CB . 17850 1 31 . 1 1 4 4 ASN CG C 13 177.281 0.006 . 1 . . . A 4 ASN CG . 17850 1 32 . 1 1 4 4 ASN N N 15 120.145 0.000 . 1 . . . A 4 ASN N . 17850 1 33 . 1 1 4 4 ASN ND2 N 15 112.888 0.001 . 1 . . . A 4 ASN ND2 . 17850 1 34 . 1 1 5 5 LEU H H 1 7.966 0.000 . 1 . . . A 5 LEU H . 17850 1 35 . 1 1 5 5 LEU HA H 1 4.679 0.000 . 1 . . . A 5 LEU HA . 17850 1 36 . 1 1 5 5 LEU HB2 H 1 1.503 0.000 . 2 . . . A 5 LEU HB2 . 17850 1 37 . 1 1 5 5 LEU HB3 H 1 1.725 0.000 . 2 . . . A 5 LEU HB3 . 17850 1 38 . 1 1 5 5 LEU HG H 1 1.690 0.000 . 1 . . . A 5 LEU HG . 17850 1 39 . 1 1 5 5 LEU HD11 H 1 0.876 0.000 . . . . . A 5 LEU HD11 . 17850 1 40 . 1 1 5 5 LEU HD12 H 1 0.876 0.000 . . . . . A 5 LEU HD12 . 17850 1 41 . 1 1 5 5 LEU HD13 H 1 0.876 0.000 . . . . . A 5 LEU HD13 . 17850 1 42 . 1 1 5 5 LEU HD21 H 1 0.889 0.000 . . . . . A 5 LEU HD21 . 17850 1 43 . 1 1 5 5 LEU HD22 H 1 0.889 0.000 . . . . . A 5 LEU HD22 . 17850 1 44 . 1 1 5 5 LEU HD23 H 1 0.889 0.000 . . . . . A 5 LEU HD23 . 17850 1 45 . 1 1 5 5 LEU C C 13 177.641 0.000 . 1 . . . A 5 LEU C . 17850 1 46 . 1 1 5 5 LEU CA C 13 54.465 0.000 . 1 . . . A 5 LEU CA . 17850 1 47 . 1 1 5 5 LEU CB C 13 43.713 0.004 . 1 . . . A 5 LEU CB . 17850 1 48 . 1 1 5 5 LEU CG C 13 26.856 0.000 . 1 . . . A 5 LEU CG . 17850 1 49 . 1 1 5 5 LEU CD1 C 13 26.767 0.000 . 2 . . . A 5 LEU CD1 . 17850 1 50 . 1 1 5 5 LEU CD2 C 13 23.661 0.000 . 2 . . . A 5 LEU CD2 . 17850 1 51 . 1 1 5 5 LEU N N 15 121.341 0.000 . 1 . . . A 5 LEU N . 17850 1 52 . 1 1 6 6 THR H H 1 8.716 0.000 . 1 . . . A 6 THR H . 17850 1 53 . 1 1 6 6 THR HA H 1 4.470 0.000 . 1 . . . A 6 THR HA . 17850 1 54 . 1 1 6 6 THR HB H 1 4.779 0.000 . 1 . . . A 6 THR HB . 17850 1 55 . 1 1 6 6 THR HG1 H 1 5.658 0.000 . 1 . . . A 6 THR HG1 . 17850 1 56 . 1 1 6 6 THR HG21 H 1 1.332 0.000 . . . . . A 6 THR HG21 . 17850 1 57 . 1 1 6 6 THR HG22 H 1 1.332 0.000 . . . . . A 6 THR HG22 . 17850 1 58 . 1 1 6 6 THR HG23 H 1 1.332 0.000 . . . . . A 6 THR HG23 . 17850 1 59 . 1 1 6 6 THR C C 13 175.390 0.000 . 1 . . . A 6 THR C . 17850 1 60 . 1 1 6 6 THR CA C 13 60.543 0.000 . 1 . . . A 6 THR CA . 17850 1 61 . 1 1 6 6 THR CB C 13 71.190 0.000 . 1 . . . A 6 THR CB . 17850 1 62 . 1 1 6 6 THR CG2 C 13 21.816 0.000 . 1 . . . A 6 THR CG2 . 17850 1 63 . 1 1 6 6 THR N N 15 113.168 0.000 . 1 . . . A 6 THR N . 17850 1 64 . 1 1 7 7 GLU H H 1 8.997 0.000 . 1 . . . A 7 GLU H . 17850 1 65 . 1 1 7 7 GLU HA H 1 3.985 0.000 . 1 . . . A 7 GLU HA . 17850 1 66 . 1 1 7 7 GLU HB2 H 1 2.066 0.000 . 2 . . . A 7 GLU HB2 . 17850 1 67 . 1 1 7 7 GLU HB3 H 1 2.066 0.000 . 2 . . . A 7 GLU HB3 . 17850 1 68 . 1 1 7 7 GLU HG2 H 1 2.343 0.000 . 2 . . . A 7 GLU HG2 . 17850 1 69 . 1 1 7 7 GLU HG3 H 1 2.415 0.000 . 2 . . . A 7 GLU HG3 . 17850 1 70 . 1 1 7 7 GLU C C 13 179.475 0.000 . 1 . . . A 7 GLU C . 17850 1 71 . 1 1 7 7 GLU CA C 13 60.073 0.000 . 1 . . . A 7 GLU CA . 17850 1 72 . 1 1 7 7 GLU CB C 13 29.293 0.000 . 1 . . . A 7 GLU CB . 17850 1 73 . 1 1 7 7 GLU CG C 13 36.640 0.001 . 1 . . . A 7 GLU CG . 17850 1 74 . 1 1 7 7 GLU N N 15 120.480 0.000 . 1 . . . A 7 GLU N . 17850 1 75 . 1 1 8 8 GLU H H 1 8.603 0.000 . 1 . . . A 8 GLU H . 17850 1 76 . 1 1 8 8 GLU HA H 1 4.087 0.000 . 1 . . . A 8 GLU HA . 17850 1 77 . 1 1 8 8 GLU HB2 H 1 1.944 0.000 . 2 . . . A 8 GLU HB2 . 17850 1 78 . 1 1 8 8 GLU HB3 H 1 2.043 0.000 . 2 . . . A 8 GLU HB3 . 17850 1 79 . 1 1 8 8 GLU HG2 H 1 2.300 0.000 . 2 . . . A 8 GLU HG2 . 17850 1 80 . 1 1 8 8 GLU HG3 H 1 2.300 0.000 . 2 . . . A 8 GLU HG3 . 17850 1 81 . 1 1 8 8 GLU C C 13 178.641 0.000 . 1 . . . A 8 GLU C . 17850 1 82 . 1 1 8 8 GLU CA C 13 59.835 0.000 . 1 . . . A 8 GLU CA . 17850 1 83 . 1 1 8 8 GLU CB C 13 29.398 0.006 . 1 . . . A 8 GLU CB . 17850 1 84 . 1 1 8 8 GLU CG C 13 36.837 0.000 . 1 . . . A 8 GLU CG . 17850 1 85 . 1 1 8 8 GLU N N 15 119.766 0.000 . 1 . . . A 8 GLU N . 17850 1 86 . 1 1 9 9 GLN H H 1 7.730 0.000 . 1 . . . A 9 GLN H . 17850 1 87 . 1 1 9 9 GLN HA H 1 3.929 0.000 . 1 . . . A 9 GLN HA . 17850 1 88 . 1 1 9 9 GLN HB2 H 1 1.802 0.000 . 2 . . . A 9 GLN HB2 . 17850 1 89 . 1 1 9 9 GLN HB3 H 1 2.424 0.000 . 2 . . . A 9 GLN HB3 . 17850 1 90 . 1 1 9 9 GLN HG2 H 1 2.354 0.000 . 2 . . . A 9 GLN HG2 . 17850 1 91 . 1 1 9 9 GLN HG3 H 1 2.427 0.000 . 2 . . . A 9 GLN HG3 . 17850 1 92 . 1 1 9 9 GLN HE21 H 1 7.567 0.001 . 2 . . . A 9 GLN HE21 . 17850 1 93 . 1 1 9 9 GLN HE22 H 1 6.761 0.002 . 2 . . . A 9 GLN HE22 . 17850 1 94 . 1 1 9 9 GLN C C 13 178.969 0.000 . 1 . . . A 9 GLN C . 17850 1 95 . 1 1 9 9 GLN CA C 13 58.718 0.000 . 1 . . . A 9 GLN CA . 17850 1 96 . 1 1 9 9 GLN CB C 13 29.582 0.003 . 1 . . . A 9 GLN CB . 17850 1 97 . 1 1 9 9 GLN CG C 13 35.092 0.001 . 1 . . . A 9 GLN CG . 17850 1 98 . 1 1 9 9 GLN CD C 13 179.928 0.000 . 1 . . . A 9 GLN CD . 17850 1 99 . 1 1 9 9 GLN N N 15 119.234 0.000 . 1 . . . A 9 GLN N . 17850 1 100 . 1 1 9 9 GLN NE2 N 15 111.347 0.000 . 1 . . . A 9 GLN NE2 . 17850 1 101 . 1 1 10 10 ILE H H 1 8.398 0.000 . 1 . . . A 10 ILE H . 17850 1 102 . 1 1 10 10 ILE HA H 1 3.763 0.000 . 1 . . . A 10 ILE HA . 17850 1 103 . 1 1 10 10 ILE HB H 1 1.994 0.000 . 1 . . . A 10 ILE HB . 17850 1 104 . 1 1 10 10 ILE HG12 H 1 1.066 0.000 . 2 . . . A 10 ILE HG12 . 17850 1 105 . 1 1 10 10 ILE HG13 H 1 1.824 0.000 . 2 . . . A 10 ILE HG13 . 17850 1 106 . 1 1 10 10 ILE HG21 H 1 1.108 0.000 . . . . . A 10 ILE HG21 . 17850 1 107 . 1 1 10 10 ILE HG22 H 1 1.108 0.000 . . . . . A 10 ILE HG22 . 17850 1 108 . 1 1 10 10 ILE HG23 H 1 1.108 0.000 . . . . . A 10 ILE HG23 . 17850 1 109 . 1 1 10 10 ILE HD11 H 1 0.849 0.000 . . . . . A 10 ILE HD11 . 17850 1 110 . 1 1 10 10 ILE HD12 H 1 0.849 0.000 . . . . . A 10 ILE HD12 . 17850 1 111 . 1 1 10 10 ILE HD13 H 1 0.849 0.000 . . . . . A 10 ILE HD13 . 17850 1 112 . 1 1 10 10 ILE C C 13 178.040 0.000 . 1 . . . A 10 ILE C . 17850 1 113 . 1 1 10 10 ILE CA C 13 66.221 0.000 . 1 . . . A 10 ILE CA . 17850 1 114 . 1 1 10 10 ILE CB C 13 37.952 0.000 . 1 . . . A 10 ILE CB . 17850 1 115 . 1 1 10 10 ILE CG1 C 13 30.230 0.005 . 1 . . . A 10 ILE CG1 . 17850 1 116 . 1 1 10 10 ILE CG2 C 13 17.682 0.000 . 1 . . . A 10 ILE CG2 . 17850 1 117 . 1 1 10 10 ILE CD1 C 13 13.044 0.000 . 1 . . . A 10 ILE CD1 . 17850 1 118 . 1 1 10 10 ILE N N 15 119.661 0.000 . 1 . . . A 10 ILE N . 17850 1 119 . 1 1 11 11 ALA H H 1 8.037 0.000 . 1 . . . A 11 ALA H . 17850 1 120 . 1 1 11 11 ALA HA H 1 4.133 0.000 . 1 . . . A 11 ALA HA . 17850 1 121 . 1 1 11 11 ALA HB1 H 1 1.566 0.000 . . . . . A 11 ALA HB1 . 17850 1 122 . 1 1 11 11 ALA HB2 H 1 1.566 0.000 . . . . . A 11 ALA HB2 . 17850 1 123 . 1 1 11 11 ALA HB3 H 1 1.566 0.000 . . . . . A 11 ALA HB3 . 17850 1 124 . 1 1 11 11 ALA C C 13 181.140 0.000 . 1 . . . A 11 ALA C . 17850 1 125 . 1 1 11 11 ALA CA C 13 55.454 0.000 . 1 . . . A 11 ALA CA . 17850 1 126 . 1 1 11 11 ALA CB C 13 17.912 0.000 . 1 . . . A 11 ALA CB . 17850 1 127 . 1 1 11 11 ALA N N 15 121.678 0.000 . 1 . . . A 11 ALA N . 17850 1 128 . 1 1 12 12 GLU H H 1 7.869 0.000 . 1 . . . A 12 GLU H . 17850 1 129 . 1 1 12 12 GLU HA H 1 4.118 0.000 . 1 . . . A 12 GLU HA . 17850 1 130 . 1 1 12 12 GLU HB2 H 1 1.754 0.000 . 2 . . . A 12 GLU HB2 . 17850 1 131 . 1 1 12 12 GLU HB3 H 1 2.058 0.000 . 2 . . . A 12 GLU HB3 . 17850 1 132 . 1 1 12 12 GLU HG2 H 1 2.161 0.000 . 2 . . . A 12 GLU HG2 . 17850 1 133 . 1 1 12 12 GLU HG3 H 1 2.492 0.000 . 2 . . . A 12 GLU HG3 . 17850 1 134 . 1 1 12 12 GLU C C 13 180.185 0.000 . 1 . . . A 12 GLU C . 17850 1 135 . 1 1 12 12 GLU CA C 13 59.195 0.000 . 1 . . . A 12 GLU CA . 17850 1 136 . 1 1 12 12 GLU CB C 13 29.379 0.016 . 1 . . . A 12 GLU CB . 17850 1 137 . 1 1 12 12 GLU CG C 13 36.426 0.002 . 1 . . . A 12 GLU CG . 17850 1 138 . 1 1 12 12 GLU N N 15 118.175 0.000 . 1 . . . A 12 GLU N . 17850 1 139 . 1 1 13 13 PHE H H 1 8.429 0.000 . 1 . . . A 13 PHE H . 17850 1 140 . 1 1 13 13 PHE HA H 1 4.890 0.000 . 1 . . . A 13 PHE HA . 17850 1 141 . 1 1 13 13 PHE HB2 H 1 3.465 0.000 . 2 . . . A 13 PHE HB2 . 17850 1 142 . 1 1 13 13 PHE HB3 H 1 3.465 0.000 . 2 . . . A 13 PHE HB3 . 17850 1 143 . 1 1 13 13 PHE HD1 H 1 7.207 0.000 . 3 . . . A 13 PHE HD1 . 17850 1 144 . 1 1 13 13 PHE HD2 H 1 7.207 0.000 . 3 . . . A 13 PHE HD2 . 17850 1 145 . 1 1 13 13 PHE HE1 H 1 7.215 0.000 . 3 . . . A 13 PHE HE1 . 17850 1 146 . 1 1 13 13 PHE HE2 H 1 7.215 0.000 . 3 . . . A 13 PHE HE2 . 17850 1 147 . 1 1 13 13 PHE C C 13 178.486 0.000 . 1 . . . A 13 PHE C . 17850 1 148 . 1 1 13 13 PHE CA C 13 60.449 0.000 . 1 . . . A 13 PHE CA . 17850 1 149 . 1 1 13 13 PHE CB C 13 38.899 0.000 . 1 . . . A 13 PHE CB . 17850 1 150 . 1 1 13 13 PHE CD2 C 13 130.196 0.000 . 3 . . . A 13 PHE CD2 . 17850 1 151 . 1 1 13 13 PHE CE2 C 13 131.555 0.000 . 3 . . . A 13 PHE CE2 . 17850 1 152 . 1 1 13 13 PHE N N 15 119.011 0.000 . 1 . . . A 13 PHE N . 17850 1 153 . 1 1 14 14 LYS H H 1 8.925 0.000 . 1 . . . A 14 LYS H . 17850 1 154 . 1 1 14 14 LYS HA H 1 4.032 0.000 . 1 . . . A 14 LYS HA . 17850 1 155 . 1 1 14 14 LYS HB2 H 1 1.927 0.000 . 2 . . . A 14 LYS HB2 . 17850 1 156 . 1 1 14 14 LYS HB3 H 1 1.986 0.000 . 2 . . . A 14 LYS HB3 . 17850 1 157 . 1 1 14 14 LYS HG2 H 1 1.062 0.000 . 2 . . . A 14 LYS HG2 . 17850 1 158 . 1 1 14 14 LYS HG3 H 1 1.355 0.000 . 2 . . . A 14 LYS HG3 . 17850 1 159 . 1 1 14 14 LYS HD2 H 1 1.290 0.000 . 2 . . . A 14 LYS HD2 . 17850 1 160 . 1 1 14 14 LYS HD3 H 1 1.413 0.000 . 2 . . . A 14 LYS HD3 . 17850 1 161 . 1 1 14 14 LYS HE2 H 1 2.568 0.000 . 2 . . . A 14 LYS HE2 . 17850 1 162 . 1 1 14 14 LYS HE3 H 1 2.594 0.000 . 2 . . . A 14 LYS HE3 . 17850 1 163 . 1 1 14 14 LYS C C 13 179.131 0.000 . 1 . . . A 14 LYS C . 17850 1 164 . 1 1 14 14 LYS CA C 13 60.490 0.000 . 1 . . . A 14 LYS CA . 17850 1 165 . 1 1 14 14 LYS CB C 13 31.913 0.002 . 1 . . . A 14 LYS CB . 17850 1 166 . 1 1 14 14 LYS CG C 13 25.800 0.002 . 1 . . . A 14 LYS CG . 17850 1 167 . 1 1 14 14 LYS CD C 13 28.879 0.000 . 1 . . . A 14 LYS CD . 17850 1 168 . 1 1 14 14 LYS CE C 13 41.793 0.000 . 1 . . . A 14 LYS CE . 17850 1 169 . 1 1 14 14 LYS N N 15 123.459 0.000 . 1 . . . A 14 LYS N . 17850 1 170 . 1 1 15 15 GLU H H 1 8.064 0.000 . 1 . . . A 15 GLU H . 17850 1 171 . 1 1 15 15 GLU HA H 1 4.168 0.000 . 1 . . . A 15 GLU HA . 17850 1 172 . 1 1 15 15 GLU HB2 H 1 2.121 0.000 . 2 . . . A 15 GLU HB2 . 17850 1 173 . 1 1 15 15 GLU HB3 H 1 2.227 0.000 . 2 . . . A 15 GLU HB3 . 17850 1 174 . 1 1 15 15 GLU HG2 H 1 2.324 0.000 . 2 . . . A 15 GLU HG2 . 17850 1 175 . 1 1 15 15 GLU HG3 H 1 2.402 0.000 . 2 . . . A 15 GLU HG3 . 17850 1 176 . 1 1 15 15 GLU C C 13 179.163 0.000 . 1 . . . A 15 GLU C . 17850 1 177 . 1 1 15 15 GLU CA C 13 59.385 0.000 . 1 . . . A 15 GLU CA . 17850 1 178 . 1 1 15 15 GLU CB C 13 29.387 0.010 . 1 . . . A 15 GLU CB . 17850 1 179 . 1 1 15 15 GLU CG C 13 36.402 0.002 . 1 . . . A 15 GLU CG . 17850 1 180 . 1 1 15 15 GLU N N 15 119.581 0.000 . 1 . . . A 15 GLU N . 17850 1 181 . 1 1 16 16 ALA H H 1 7.801 0.000 . 1 . . . A 16 ALA H . 17850 1 182 . 1 1 16 16 ALA HA H 1 4.242 0.000 . 1 . . . A 16 ALA HA . 17850 1 183 . 1 1 16 16 ALA HB1 H 1 1.898 0.000 . . . . . A 16 ALA HB1 . 17850 1 184 . 1 1 16 16 ALA HB2 H 1 1.898 0.000 . . . . . A 16 ALA HB2 . 17850 1 185 . 1 1 16 16 ALA HB3 H 1 1.898 0.000 . . . . . A 16 ALA HB3 . 17850 1 186 . 1 1 16 16 ALA C C 13 177.628 0.000 . 1 . . . A 16 ALA C . 17850 1 187 . 1 1 16 16 ALA CA C 13 55.185 0.000 . 1 . . . A 16 ALA CA . 17850 1 188 . 1 1 16 16 ALA CB C 13 17.924 0.000 . 1 . . . A 16 ALA CB . 17850 1 189 . 1 1 16 16 ALA N N 15 120.993 0.000 . 1 . . . A 16 ALA N . 17850 1 190 . 1 1 17 17 PHE H H 1 8.469 0.000 . 1 . . . A 17 PHE H . 17850 1 191 . 1 1 17 17 PHE HA H 1 3.354 0.000 . 1 . . . A 17 PHE HA . 17850 1 192 . 1 1 17 17 PHE HB2 H 1 2.886 0.000 . 2 . . . A 17 PHE HB2 . 17850 1 193 . 1 1 17 17 PHE HB3 H 1 3.232 0.000 . 2 . . . A 17 PHE HB3 . 17850 1 194 . 1 1 17 17 PHE HD1 H 1 6.690 0.000 . 3 . . . A 17 PHE HD1 . 17850 1 195 . 1 1 17 17 PHE HD2 H 1 6.690 0.000 . 3 . . . A 17 PHE HD2 . 17850 1 196 . 1 1 17 17 PHE HE1 H 1 7.035 0.000 . 3 . . . A 17 PHE HE1 . 17850 1 197 . 1 1 17 17 PHE HE2 H 1 7.035 0.000 . 3 . . . A 17 PHE HE2 . 17850 1 198 . 1 1 17 17 PHE HZ H 1 7.306 0.000 . 1 . . . A 17 PHE HZ . 17850 1 199 . 1 1 17 17 PHE C C 13 177.500 0.000 . 1 . . . A 17 PHE C . 17850 1 200 . 1 1 17 17 PHE CA C 13 61.700 0.000 . 1 . . . A 17 PHE CA . 17850 1 201 . 1 1 17 17 PHE CB C 13 39.978 0.007 . 1 . . . A 17 PHE CB . 17850 1 202 . 1 1 17 17 PHE CD1 C 13 131.958 0.000 . 3 . . . A 17 PHE CD1 . 17850 1 203 . 1 1 17 17 PHE CE1 C 13 131.291 0.000 . 3 . . . A 17 PHE CE1 . 17850 1 204 . 1 1 17 17 PHE CZ C 13 129.749 0.000 . 1 . . . A 17 PHE CZ . 17850 1 205 . 1 1 17 17 PHE N N 15 118.745 0.000 . 1 . . . A 17 PHE N . 17850 1 206 . 1 1 18 18 ALA H H 1 8.187 0.000 . 1 . . . A 18 ALA H . 17850 1 207 . 1 1 18 18 ALA HA H 1 4.010 0.000 . 1 . . . A 18 ALA HA . 17850 1 208 . 1 1 18 18 ALA HB1 H 1 1.561 0.000 . . . . . A 18 ALA HB1 . 17850 1 209 . 1 1 18 18 ALA HB2 H 1 1.561 0.000 . . . . . A 18 ALA HB2 . 17850 1 210 . 1 1 18 18 ALA HB3 H 1 1.561 0.000 . . . . . A 18 ALA HB3 . 17850 1 211 . 1 1 18 18 ALA C C 13 178.535 0.000 . 1 . . . A 18 ALA C . 17850 1 212 . 1 1 18 18 ALA CA C 13 54.416 0.000 . 1 . . . A 18 ALA CA . 17850 1 213 . 1 1 18 18 ALA CB C 13 18.487 0.000 . 1 . . . A 18 ALA CB . 17850 1 214 . 1 1 18 18 ALA N N 15 119.942 0.000 . 1 . . . A 18 ALA N . 17850 1 215 . 1 1 19 19 LEU H H 1 7.254 0.000 . 1 . . . A 19 LEU H . 17850 1 216 . 1 1 19 19 LEU HA H 1 3.960 0.000 . 1 . . . A 19 LEU HA . 17850 1 217 . 1 1 19 19 LEU HB2 H 1 1.608 0.000 . 2 . . . A 19 LEU HB2 . 17850 1 218 . 1 1 19 19 LEU HB3 H 1 1.697 0.000 . 2 . . . A 19 LEU HB3 . 17850 1 219 . 1 1 19 19 LEU HG H 1 1.451 0.000 . 1 . . . A 19 LEU HG . 17850 1 220 . 1 1 19 19 LEU HD11 H 1 0.687 0.000 . . . . . A 19 LEU HD11 . 17850 1 221 . 1 1 19 19 LEU HD12 H 1 0.687 0.000 . . . . . A 19 LEU HD12 . 17850 1 222 . 1 1 19 19 LEU HD13 H 1 0.687 0.000 . . . . . A 19 LEU HD13 . 17850 1 223 . 1 1 19 19 LEU HD21 H 1 0.769 0.000 . . . . . A 19 LEU HD21 . 17850 1 224 . 1 1 19 19 LEU HD22 H 1 0.769 0.000 . . . . . A 19 LEU HD22 . 17850 1 225 . 1 1 19 19 LEU HD23 H 1 0.769 0.000 . . . . . A 19 LEU HD23 . 17850 1 226 . 1 1 19 19 LEU C C 13 176.795 0.000 . 1 . . . A 19 LEU C . 17850 1 227 . 1 1 19 19 LEU CA C 13 57.435 0.000 . 1 . . . A 19 LEU CA . 17850 1 228 . 1 1 19 19 LEU CB C 13 41.682 0.004 . 1 . . . A 19 LEU CB . 17850 1 229 . 1 1 19 19 LEU CG C 13 26.600 0.000 . 1 . . . A 19 LEU CG . 17850 1 230 . 1 1 19 19 LEU CD1 C 13 24.783 0.000 . 2 . . . A 19 LEU CD1 . 17850 1 231 . 1 1 19 19 LEU CD2 C 13 24.595 0.000 . 2 . . . A 19 LEU CD2 . 17850 1 232 . 1 1 19 19 LEU N N 15 116.851 0.000 . 1 . . . A 19 LEU N . 17850 1 233 . 1 1 20 20 PHE H H 1 7.041 0.000 . 1 . . . A 20 PHE H . 17850 1 234 . 1 1 20 20 PHE HA H 1 4.259 0.000 . 1 . . . A 20 PHE HA . 17850 1 235 . 1 1 20 20 PHE HB2 H 1 2.682 0.000 . 2 . . . A 20 PHE HB2 . 17850 1 236 . 1 1 20 20 PHE HB3 H 1 2.682 0.000 . 2 . . . A 20 PHE HB3 . 17850 1 237 . 1 1 20 20 PHE HD1 H 1 7.320 0.000 . 3 . . . A 20 PHE HD1 . 17850 1 238 . 1 1 20 20 PHE HD2 H 1 7.320 0.000 . 3 . . . A 20 PHE HD2 . 17850 1 239 . 1 1 20 20 PHE HE1 H 1 7.285 0.000 . 3 . . . A 20 PHE HE1 . 17850 1 240 . 1 1 20 20 PHE HE2 H 1 7.285 0.000 . 3 . . . A 20 PHE HE2 . 17850 1 241 . 1 1 20 20 PHE HZ H 1 7.128 0.000 . 1 . . . A 20 PHE HZ . 17850 1 242 . 1 1 20 20 PHE C C 13 177.033 0.000 . 1 . . . A 20 PHE C . 17850 1 243 . 1 1 20 20 PHE CA C 13 58.656 0.000 . 1 . . . A 20 PHE CA . 17850 1 244 . 1 1 20 20 PHE CB C 13 42.164 0.000 . 1 . . . A 20 PHE CB . 17850 1 245 . 1 1 20 20 PHE CD1 C 13 132.689 0.000 . 3 . . . A 20 PHE CD1 . 17850 1 246 . 1 1 20 20 PHE CE1 C 13 130.550 0.000 . 3 . . . A 20 PHE CE1 . 17850 1 247 . 1 1 20 20 PHE CZ C 13 128.791 0.000 . 1 . . . A 20 PHE CZ . 17850 1 248 . 1 1 20 20 PHE N N 15 111.977 0.000 . 1 . . . A 20 PHE N . 17850 1 249 . 1 1 21 21 ASP H H 1 7.567 0.000 . 1 . . . A 21 ASP H . 17850 1 250 . 1 1 21 21 ASP HA H 1 4.585 0.000 . 1 . . . A 21 ASP HA . 17850 1 251 . 1 1 21 21 ASP HB2 H 1 1.423 0.000 . 2 . . . A 21 ASP HB2 . 17850 1 252 . 1 1 21 21 ASP HB3 H 1 2.409 0.000 . 2 . . . A 21 ASP HB3 . 17850 1 253 . 1 1 21 21 ASP C C 13 177.297 0.000 . 1 . . . A 21 ASP C . 17850 1 254 . 1 1 21 21 ASP CA C 13 52.671 0.000 . 1 . . . A 21 ASP CA . 17850 1 255 . 1 1 21 21 ASP CB C 13 39.002 0.007 . 1 . . . A 21 ASP CB . 17850 1 256 . 1 1 21 21 ASP N N 15 116.981 0.000 . 1 . . . A 21 ASP N . 17850 1 257 . 1 1 22 22 LYS H H 1 7.820 0.000 . 1 . . . A 22 LYS H . 17850 1 258 . 1 1 22 22 LYS HA H 1 3.992 0.000 . 1 . . . A 22 LYS HA . 17850 1 259 . 1 1 22 22 LYS HB2 H 1 1.884 0.000 . 2 . . . A 22 LYS HB2 . 17850 1 260 . 1 1 22 22 LYS HB3 H 1 1.884 0.000 . 2 . . . A 22 LYS HB3 . 17850 1 261 . 1 1 22 22 LYS HG2 H 1 1.453 0.000 . 2 . . . A 22 LYS HG2 . 17850 1 262 . 1 1 22 22 LYS HG3 H 1 1.561 0.000 . 2 . . . A 22 LYS HG3 . 17850 1 263 . 1 1 22 22 LYS HD2 H 1 1.668 0.000 . 2 . . . A 22 LYS HD2 . 17850 1 264 . 1 1 22 22 LYS HD3 H 1 1.668 0.000 . 2 . . . A 22 LYS HD3 . 17850 1 265 . 1 1 22 22 LYS HE2 H 1 2.978 0.000 . 2 . . . A 22 LYS HE2 . 17850 1 266 . 1 1 22 22 LYS HE3 H 1 3.026 0.000 . 2 . . . A 22 LYS HE3 . 17850 1 267 . 1 1 22 22 LYS C C 13 177.866 0.000 . 1 . . . A 22 LYS C . 17850 1 268 . 1 1 22 22 LYS CA C 13 58.233 0.000 . 1 . . . A 22 LYS CA . 17850 1 269 . 1 1 22 22 LYS CB C 13 32.627 0.000 . 1 . . . A 22 LYS CB . 17850 1 270 . 1 1 22 22 LYS CG C 13 24.439 0.002 . 1 . . . A 22 LYS CG . 17850 1 271 . 1 1 22 22 LYS CD C 13 28.246 0.000 . 1 . . . A 22 LYS CD . 17850 1 272 . 1 1 22 22 LYS CE C 13 42.197 0.004 . 1 . . . A 22 LYS CE . 17850 1 273 . 1 1 22 22 LYS N N 15 124.748 0.000 . 1 . . . A 22 LYS N . 17850 1 274 . 1 1 23 23 ASP H H 1 8.025 0.000 . 1 . . . A 23 ASP H . 17850 1 275 . 1 1 23 23 ASP HA H 1 4.603 0.000 . 1 . . . A 23 ASP HA . 17850 1 276 . 1 1 23 23 ASP HB2 H 1 2.572 0.000 . 2 . . . A 23 ASP HB2 . 17850 1 277 . 1 1 23 23 ASP HB3 H 1 3.088 0.000 . 2 . . . A 23 ASP HB3 . 17850 1 278 . 1 1 23 23 ASP C C 13 176.266 0.000 . 1 . . . A 23 ASP C . 17850 1 279 . 1 1 23 23 ASP CA C 13 52.647 0.000 . 1 . . . A 23 ASP CA . 17850 1 280 . 1 1 23 23 ASP CB C 13 39.283 0.001 . 1 . . . A 23 ASP CB . 17850 1 281 . 1 1 23 23 ASP N N 15 114.211 0.000 . 1 . . . A 23 ASP N . 17850 1 282 . 1 1 24 24 ASN H H 1 7.962 0.000 . 1 . . . A 24 ASN H . 17850 1 283 . 1 1 24 24 ASN HA H 1 4.389 0.000 . 1 . . . A 24 ASN HA . 17850 1 284 . 1 1 24 24 ASN HB2 H 1 2.622 0.000 . 2 . . . A 24 ASN HB2 . 17850 1 285 . 1 1 24 24 ASN HB3 H 1 3.097 0.000 . 2 . . . A 24 ASN HB3 . 17850 1 286 . 1 1 24 24 ASN HD21 H 1 7.519 0.000 . 2 . . . A 24 ASN HD21 . 17850 1 287 . 1 1 24 24 ASN HD22 H 1 6.690 0.000 . 2 . . . A 24 ASN HD22 . 17850 1 288 . 1 1 24 24 ASN C C 13 174.828 0.000 . 1 . . . A 24 ASN C . 17850 1 289 . 1 1 24 24 ASN CA C 13 54.507 0.000 . 1 . . . A 24 ASN CA . 17850 1 290 . 1 1 24 24 ASN CB C 13 38.031 0.001 . 1 . . . A 24 ASN CB . 17850 1 291 . 1 1 24 24 ASN CG C 13 178.387 0.004 . 1 . . . A 24 ASN CG . 17850 1 292 . 1 1 24 24 ASN N N 15 115.587 0.000 . 1 . . . A 24 ASN N . 17850 1 293 . 1 1 24 24 ASN ND2 N 15 112.257 0.001 . 1 . . . A 24 ASN ND2 . 17850 1 294 . 1 1 25 25 ASN H H 1 8.489 0.000 . 1 . . . A 25 ASN H . 17850 1 295 . 1 1 25 25 ASN HA H 1 4.848 0.000 . 1 . . . A 25 ASN HA . 17850 1 296 . 1 1 25 25 ASN HB2 H 1 2.542 0.000 . 2 . . . A 25 ASN HB2 . 17850 1 297 . 1 1 25 25 ASN HB3 H 1 3.313 0.000 . 2 . . . A 25 ASN HB3 . 17850 1 298 . 1 1 25 25 ASN HD21 H 1 7.918 0.000 . 2 . . . A 25 ASN HD21 . 17850 1 299 . 1 1 25 25 ASN HD22 H 1 7.126 0.000 . 2 . . . A 25 ASN HD22 . 17850 1 300 . 1 1 25 25 ASN C C 13 177.553 0.000 . 1 . . . A 25 ASN C . 17850 1 301 . 1 1 25 25 ASN CA C 13 52.315 0.000 . 1 . . . A 25 ASN CA . 17850 1 302 . 1 1 25 25 ASN CB C 13 38.543 0.003 . 1 . . . A 25 ASN CB . 17850 1 303 . 1 1 25 25 ASN CG C 13 179.731 0.027 . 1 . . . A 25 ASN CG . 17850 1 304 . 1 1 25 25 ASN N N 15 117.385 0.000 . 1 . . . A 25 ASN N . 17850 1 305 . 1 1 25 25 ASN ND2 N 15 115.888 0.001 . 1 . . . A 25 ASN ND2 . 17850 1 306 . 1 1 26 26 GLY H H 1 10.580 0.000 . 1 . . . A 26 GLY H . 17850 1 307 . 1 1 26 26 GLY HA2 H 1 3.750 0.000 . . . . . A 26 GLY HA2 . 17850 1 308 . 1 1 26 26 GLY HA3 H 1 4.440 0.000 . 2 . . . A 26 GLY HA3 . 17850 1 309 . 1 1 26 26 GLY C C 13 173.371 0.000 . 1 . . . A 26 GLY C . 17850 1 310 . 1 1 26 26 GLY CA C 13 45.538 0.001 . 1 . . . A 26 GLY CA . 17850 1 311 . 1 1 26 26 GLY N N 15 113.934 0.000 . 1 . . . A 26 GLY N . 17850 1 312 . 1 1 27 27 SER H H 1 7.793 0.000 . 1 . . . A 27 SER H . 17850 1 313 . 1 1 27 27 SER HA H 1 5.358 0.000 . 1 . . . A 27 SER HA . 17850 1 314 . 1 1 27 27 SER HB2 H 1 3.333 0.000 . 2 . . . A 27 SER HB2 . 17850 1 315 . 1 1 27 27 SER HB3 H 1 3.775 0.000 . 2 . . . A 27 SER HB3 . 17850 1 316 . 1 1 27 27 SER C C 13 172.645 0.000 . 1 . . . A 27 SER C . 17850 1 317 . 1 1 27 27 SER CA C 13 57.474 0.000 . 1 . . . A 27 SER CA . 17850 1 318 . 1 1 27 27 SER CB C 13 66.576 0.001 . 1 . . . A 27 SER CB . 17850 1 319 . 1 1 27 27 SER N N 15 113.842 0.000 . 1 . . . A 27 SER N . 17850 1 320 . 1 1 28 28 ILE H H 1 9.787 0.000 . 1 . . . A 28 ILE H . 17850 1 321 . 1 1 28 28 ILE HA H 1 4.825 0.000 . 1 . . . A 28 ILE HA . 17850 1 322 . 1 1 28 28 ILE HB H 1 1.839 0.000 . 1 . . . A 28 ILE HB . 17850 1 323 . 1 1 28 28 ILE HG12 H 1 0.107 0.000 . 2 . . . A 28 ILE HG12 . 17850 1 324 . 1 1 28 28 ILE HG13 H 1 1.254 0.000 . 2 . . . A 28 ILE HG13 . 17850 1 325 . 1 1 28 28 ILE HG21 H 1 0.939 0.000 . . . . . A 28 ILE HG21 . 17850 1 326 . 1 1 28 28 ILE HG22 H 1 0.939 0.000 . . . . . A 28 ILE HG22 . 17850 1 327 . 1 1 28 28 ILE HG23 H 1 0.939 0.000 . . . . . A 28 ILE HG23 . 17850 1 328 . 1 1 28 28 ILE HD11 H 1 0.159 0.000 . . . . . A 28 ILE HD11 . 17850 1 329 . 1 1 28 28 ILE HD12 H 1 0.159 0.000 . . . . . A 28 ILE HD12 . 17850 1 330 . 1 1 28 28 ILE HD13 H 1 0.159 0.000 . . . . . A 28 ILE HD13 . 17850 1 331 . 1 1 28 28 ILE C C 13 175.890 0.000 . 1 . . . A 28 ILE C . 17850 1 332 . 1 1 28 28 ILE CA C 13 60.176 0.000 . 1 . . . A 28 ILE CA . 17850 1 333 . 1 1 28 28 ILE CB C 13 39.094 0.000 . 1 . . . A 28 ILE CB . 17850 1 334 . 1 1 28 28 ILE CG1 C 13 26.468 0.011 . 1 . . . A 28 ILE CG1 . 17850 1 335 . 1 1 28 28 ILE CG2 C 13 17.570 0.000 . 1 . . . A 28 ILE CG2 . 17850 1 336 . 1 1 28 28 ILE CD1 C 13 14.575 0.000 . 1 . . . A 28 ILE CD1 . 17850 1 337 . 1 1 28 28 ILE N N 15 127.597 0.000 . 1 . . . A 28 ILE N . 17850 1 338 . 1 1 29 29 SER H H 1 9.320 0.000 . 1 . . . A 29 SER H . 17850 1 339 . 1 1 29 29 SER HA H 1 4.813 0.000 . 1 . . . A 29 SER HA . 17850 1 340 . 1 1 29 29 SER HB2 H 1 4.008 0.000 . 2 . . . A 29 SER HB2 . 17850 1 341 . 1 1 29 29 SER HB3 H 1 4.512 0.000 . 2 . . . A 29 SER HB3 . 17850 1 342 . 1 1 29 29 SER HG H 1 5.779 0.000 . 1 . . . A 29 SER HG . 17850 1 343 . 1 1 29 29 SER C C 13 175.477 0.000 . 1 . . . A 29 SER C . 17850 1 344 . 1 1 29 29 SER CA C 13 56.583 0.000 . 1 . . . A 29 SER CA . 17850 1 345 . 1 1 29 29 SER CB C 13 66.269 0.005 . 1 . . . A 29 SER CB . 17850 1 346 . 1 1 29 29 SER N N 15 124.860 0.000 . 1 . . . A 29 SER N . 17850 1 347 . 1 1 30 30 SER H H 1 9.554 0.000 . 1 . . . A 30 SER H . 17850 1 348 . 1 1 30 30 SER HA H 1 4.141 0.000 . 1 . . . A 30 SER HA . 17850 1 349 . 1 1 30 30 SER HB2 H 1 3.945 0.000 . 2 . . . A 30 SER HB2 . 17850 1 350 . 1 1 30 30 SER HB3 H 1 3.997 0.000 . 2 . . . A 30 SER HB3 . 17850 1 351 . 1 1 30 30 SER C C 13 176.531 0.000 . 1 . . . A 30 SER C . 17850 1 352 . 1 1 30 30 SER CA C 13 62.690 0.000 . 1 . . . A 30 SER CA . 17850 1 353 . 1 1 30 30 SER CB C 13 62.264 0.002 . 1 . . . A 30 SER CB . 17850 1 354 . 1 1 30 30 SER N N 15 117.383 0.000 . 1 . . . A 30 SER N . 17850 1 355 . 1 1 31 31 SER H H 1 8.141 0.000 . 1 . . . A 31 SER H . 17850 1 356 . 1 1 31 31 SER HA H 1 4.309 0.000 . 1 . . . A 31 SER HA . 17850 1 357 . 1 1 31 31 SER HB2 H 1 3.894 0.000 . 2 . . . A 31 SER HB2 . 17850 1 358 . 1 1 31 31 SER HB3 H 1 3.926 0.000 . 2 . . . A 31 SER HB3 . 17850 1 359 . 1 1 31 31 SER C C 13 178.017 0.000 . 1 . . . A 31 SER C . 17850 1 360 . 1 1 31 31 SER CA C 13 61.332 0.000 . 1 . . . A 31 SER CA . 17850 1 361 . 1 1 31 31 SER CB C 13 62.512 0.001 . 1 . . . A 31 SER CB . 17850 1 362 . 1 1 31 31 SER N N 15 116.232 0.000 . 1 . . . A 31 SER N . 17850 1 363 . 1 1 32 32 GLU H H 1 7.947 0.000 . 1 . . . A 32 GLU H . 17850 1 364 . 1 1 32 32 GLU HA H 1 4.053 0.000 . 1 . . . A 32 GLU HA . 17850 1 365 . 1 1 32 32 GLU HB2 H 1 2.546 0.000 . 2 . . . A 32 GLU HB2 . 17850 1 366 . 1 1 32 32 GLU HB3 H 1 2.682 0.000 . 2 . . . A 32 GLU HB3 . 17850 1 367 . 1 1 32 32 GLU HG2 H 1 2.348 0.000 . 2 . . . A 32 GLU HG2 . 17850 1 368 . 1 1 32 32 GLU HG3 H 1 2.547 0.000 . 2 . . . A 32 GLU HG3 . 17850 1 369 . 1 1 32 32 GLU C C 13 179.222 0.000 . 1 . . . A 32 GLU C . 17850 1 370 . 1 1 32 32 GLU CA C 13 59.699 0.000 . 1 . . . A 32 GLU CA . 17850 1 371 . 1 1 32 32 GLU CB C 13 29.252 0.004 . 1 . . . A 32 GLU CB . 17850 1 372 . 1 1 32 32 GLU CG C 13 38.088 0.005 . 1 . . . A 32 GLU CG . 17850 1 373 . 1 1 32 32 GLU N N 15 125.663 0.000 . 1 . . . A 32 GLU N . 17850 1 374 . 1 1 33 33 LEU H H 1 8.424 0.000 . 1 . . . A 33 LEU H . 17850 1 375 . 1 1 33 33 LEU HA H 1 4.168 0.000 . 1 . . . A 33 LEU HA . 17850 1 376 . 1 1 33 33 LEU HB2 H 1 1.512 0.000 . 2 . . . A 33 LEU HB2 . 17850 1 377 . 1 1 33 33 LEU HB3 H 1 2.034 0.000 . 2 . . . A 33 LEU HB3 . 17850 1 378 . 1 1 33 33 LEU HG H 1 1.684 0.000 . 1 . . . A 33 LEU HG . 17850 1 379 . 1 1 33 33 LEU HD11 H 1 0.876 0.000 . . . . . A 33 LEU HD11 . 17850 1 380 . 1 1 33 33 LEU HD12 H 1 0.876 0.000 . . . . . A 33 LEU HD12 . 17850 1 381 . 1 1 33 33 LEU HD13 H 1 0.876 0.000 . . . . . A 33 LEU HD13 . 17850 1 382 . 1 1 33 33 LEU HD21 H 1 0.895 0.000 . . . . . A 33 LEU HD21 . 17850 1 383 . 1 1 33 33 LEU HD22 H 1 0.895 0.000 . . . . . A 33 LEU HD22 . 17850 1 384 . 1 1 33 33 LEU HD23 H 1 0.895 0.000 . . . . . A 33 LEU HD23 . 17850 1 385 . 1 1 33 33 LEU C C 13 178.493 0.000 . 1 . . . A 33 LEU C . 17850 1 386 . 1 1 33 33 LEU CA C 13 58.907 0.000 . 1 . . . A 33 LEU CA . 17850 1 387 . 1 1 33 33 LEU CB C 13 42.317 0.011 . 1 . . . A 33 LEU CB . 17850 1 388 . 1 1 33 33 LEU CG C 13 27.058 0.000 . 1 . . . A 33 LEU CG . 17850 1 389 . 1 1 33 33 LEU CD1 C 13 26.012 0.000 . 2 . . . A 33 LEU CD1 . 17850 1 390 . 1 1 33 33 LEU CD2 C 13 23.733 0.000 . 2 . . . A 33 LEU CD2 . 17850 1 391 . 1 1 33 33 LEU N N 15 120.624 0.000 . 1 . . . A 33 LEU N . 17850 1 392 . 1 1 34 34 ALA H H 1 8.410 0.000 . 1 . . . A 34 ALA H . 17850 1 393 . 1 1 34 34 ALA HA H 1 3.824 0.000 . 1 . . . A 34 ALA HA . 17850 1 394 . 1 1 34 34 ALA HB1 H 1 1.557 0.000 . . . . . A 34 ALA HB1 . 17850 1 395 . 1 1 34 34 ALA HB2 H 1 1.557 0.000 . . . . . A 34 ALA HB2 . 17850 1 396 . 1 1 34 34 ALA HB3 H 1 1.557 0.000 . . . . . A 34 ALA HB3 . 17850 1 397 . 1 1 34 34 ALA C C 13 179.360 0.000 . 1 . . . A 34 ALA C . 17850 1 398 . 1 1 34 34 ALA CA C 13 55.596 0.000 . 1 . . . A 34 ALA CA . 17850 1 399 . 1 1 34 34 ALA CB C 13 18.677 0.000 . 1 . . . A 34 ALA CB . 17850 1 400 . 1 1 34 34 ALA N N 15 119.635 0.000 . 1 . . . A 34 ALA N . 17850 1 401 . 1 1 35 35 THR H H 1 8.263 0.000 . 1 . . . A 35 THR H . 17850 1 402 . 1 1 35 35 THR HA H 1 3.886 0.000 . 1 . . . A 35 THR HA . 17850 1 403 . 1 1 35 35 THR HB H 1 4.407 0.000 . 1 . . . A 35 THR HB . 17850 1 404 . 1 1 35 35 THR HG1 H 1 5.564 0.000 . 1 . . . A 35 THR HG1 . 17850 1 405 . 1 1 35 35 THR HG21 H 1 1.270 0.000 . . . . . A 35 THR HG21 . 17850 1 406 . 1 1 35 35 THR HG22 H 1 1.270 0.000 . . . . . A 35 THR HG22 . 17850 1 407 . 1 1 35 35 THR HG23 H 1 1.270 0.000 . . . . . A 35 THR HG23 . 17850 1 408 . 1 1 35 35 THR C C 13 177.278 0.000 . 1 . . . A 35 THR C . 17850 1 409 . 1 1 35 35 THR CA C 13 67.317 0.000 . 1 . . . A 35 THR CA . 17850 1 410 . 1 1 35 35 THR CB C 13 68.774 0.000 . 1 . . . A 35 THR CB . 17850 1 411 . 1 1 35 35 THR CG2 C 13 21.281 0.000 . 1 . . . A 35 THR CG2 . 17850 1 412 . 1 1 35 35 THR N N 15 114.602 0.000 . 1 . . . A 35 THR N . 17850 1 413 . 1 1 36 36 VAL H H 1 7.790 0.000 . 1 . . . A 36 VAL H . 17850 1 414 . 1 1 36 36 VAL HA H 1 3.605 0.000 . 1 . . . A 36 VAL HA . 17850 1 415 . 1 1 36 36 VAL HB H 1 2.026 0.000 . 1 . . . A 36 VAL HB . 17850 1 416 . 1 1 36 36 VAL HG11 H 1 0.399 0.000 . . . . . A 36 VAL HG11 . 17850 1 417 . 1 1 36 36 VAL HG12 H 1 0.399 0.000 . . . . . A 36 VAL HG12 . 17850 1 418 . 1 1 36 36 VAL HG13 H 1 0.399 0.000 . . . . . A 36 VAL HG13 . 17850 1 419 . 1 1 36 36 VAL HG21 H 1 0.795 0.000 . . . . . A 36 VAL HG21 . 17850 1 420 . 1 1 36 36 VAL HG22 H 1 0.795 0.000 . . . . . A 36 VAL HG22 . 17850 1 421 . 1 1 36 36 VAL HG23 H 1 0.795 0.000 . . . . . A 36 VAL HG23 . 17850 1 422 . 1 1 36 36 VAL C C 13 178.653 0.000 . 1 . . . A 36 VAL C . 17850 1 423 . 1 1 36 36 VAL CA C 13 66.738 0.000 . 1 . . . A 36 VAL CA . 17850 1 424 . 1 1 36 36 VAL CB C 13 31.303 0.000 . 1 . . . A 36 VAL CB . 17850 1 425 . 1 1 36 36 VAL CG1 C 13 20.625 0.000 . 2 . . . A 36 VAL CG1 . 17850 1 426 . 1 1 36 36 VAL CG2 C 13 24.011 0.000 . 2 . . . A 36 VAL CG2 . 17850 1 427 . 1 1 36 36 VAL N N 15 122.295 0.000 . 1 . . . A 36 VAL N . 17850 1 428 . 1 1 37 37 MET H H 1 8.081 0.000 . 1 . . . A 37 MET H . 17850 1 429 . 1 1 37 37 MET HA H 1 3.642 0.000 . 1 . . . A 37 MET HA . 17850 1 430 . 1 1 37 37 MET HB2 H 1 1.727 0.000 . 2 . . . A 37 MET HB2 . 17850 1 431 . 1 1 37 37 MET HB3 H 1 2.001 0.000 . 2 . . . A 37 MET HB3 . 17850 1 432 . 1 1 37 37 MET HG2 H 1 2.738 0.000 . 2 . . . A 37 MET HG2 . 17850 1 433 . 1 1 37 37 MET HG3 H 1 2.738 0.000 . 2 . . . A 37 MET HG3 . 17850 1 434 . 1 1 37 37 MET HE1 H 1 1.525 0.000 . . . . . A 37 MET HE1 . 17850 1 435 . 1 1 37 37 MET HE2 H 1 1.525 0.000 . . . . . A 37 MET HE2 . 17850 1 436 . 1 1 37 37 MET HE3 H 1 1.525 0.000 . . . . . A 37 MET HE3 . 17850 1 437 . 1 1 37 37 MET C C 13 178.172 0.000 . 1 . . . A 37 MET C . 17850 1 438 . 1 1 37 37 MET CA C 13 60.506 0.000 . 1 . . . A 37 MET CA . 17850 1 439 . 1 1 37 37 MET CB C 13 32.347 0.001 . 1 . . . A 37 MET CB . 17850 1 440 . 1 1 37 37 MET CG C 13 33.124 0.000 . 1 . . . A 37 MET CG . 17850 1 441 . 1 1 37 37 MET CE C 13 17.630 0.000 . 1 . . . A 37 MET CE . 17850 1 442 . 1 1 37 37 MET N N 15 117.677 0.000 . 1 . . . A 37 MET N . 17850 1 443 . 1 1 38 38 ARG H H 1 8.547 0.000 . 1 . . . A 38 ARG H . 17850 1 444 . 1 1 38 38 ARG HA H 1 4.688 0.000 . 1 . . . A 38 ARG HA . 17850 1 445 . 1 1 38 38 ARG HB2 H 1 1.921 0.000 . 2 . . . A 38 ARG HB2 . 17850 1 446 . 1 1 38 38 ARG HB3 H 1 1.921 0.000 . 2 . . . A 38 ARG HB3 . 17850 1 447 . 1 1 38 38 ARG HG2 H 1 1.755 0.000 . 2 . . . A 38 ARG HG2 . 17850 1 448 . 1 1 38 38 ARG HG3 H 1 1.828 0.000 . 2 . . . A 38 ARG HG3 . 17850 1 449 . 1 1 38 38 ARG HD2 H 1 3.111 0.000 . 2 . . . A 38 ARG HD2 . 17850 1 450 . 1 1 38 38 ARG HD3 H 1 3.270 0.000 . 2 . . . A 38 ARG HD3 . 17850 1 451 . 1 1 38 38 ARG HE H 1 7.494 0.000 . 1 . . . A 38 ARG HE . 17850 1 452 . 1 1 38 38 ARG C C 13 181.486 0.000 . 1 . . . A 38 ARG C . 17850 1 453 . 1 1 38 38 ARG CA C 13 59.101 0.000 . 1 . . . A 38 ARG CA . 17850 1 454 . 1 1 38 38 ARG CB C 13 30.012 0.000 . 1 . . . A 38 ARG CB . 17850 1 455 . 1 1 38 38 ARG CG C 13 29.065 0.002 . 1 . . . A 38 ARG CG . 17850 1 456 . 1 1 38 38 ARG CD C 13 43.624 0.001 . 1 . . . A 38 ARG CD . 17850 1 457 . 1 1 38 38 ARG CZ C 13 159.369 0.000 . 1 . . . A 38 ARG CZ . 17850 1 458 . 1 1 38 38 ARG N N 15 118.309 0.000 . 1 . . . A 38 ARG N . 17850 1 459 . 1 1 38 38 ARG NE N 15 84.921 0.000 . 1 . . . A 38 ARG NE . 17850 1 460 . 1 1 39 39 SER H H 1 8.226 0.000 . 1 . . . A 39 SER H . 17850 1 461 . 1 1 39 39 SER HA H 1 4.301 0.000 . 1 . . . A 39 SER HA . 17850 1 462 . 1 1 39 39 SER HB2 H 1 3.900 0.000 . 2 . . . A 39 SER HB2 . 17850 1 463 . 1 1 39 39 SER HB3 H 1 4.033 0.000 . 2 . . . A 39 SER HB3 . 17850 1 464 . 1 1 39 39 SER C C 13 174.899 0.000 . 1 . . . A 39 SER C . 17850 1 465 . 1 1 39 39 SER CA C 13 61.925 0.000 . 1 . . . A 39 SER CA . 17850 1 466 . 1 1 39 39 SER CB C 13 62.773 0.006 . 1 . . . A 39 SER CB . 17850 1 467 . 1 1 39 39 SER N N 15 119.250 0.000 . 1 . . . A 39 SER N . 17850 1 468 . 1 1 40 40 LEU H H 1 7.343 0.000 . 1 . . . A 40 LEU H . 17850 1 469 . 1 1 40 40 LEU HA H 1 4.270 0.000 . 1 . . . A 40 LEU HA . 17850 1 470 . 1 1 40 40 LEU HB2 H 1 1.683 0.000 . 2 . . . A 40 LEU HB2 . 17850 1 471 . 1 1 40 40 LEU HB3 H 1 1.827 0.000 . 2 . . . A 40 LEU HB3 . 17850 1 472 . 1 1 40 40 LEU HG H 1 1.839 0.000 . 1 . . . A 40 LEU HG . 17850 1 473 . 1 1 40 40 LEU HD11 H 1 0.657 0.000 . . . . . A 40 LEU HD11 . 17850 1 474 . 1 1 40 40 LEU HD12 H 1 0.657 0.000 . . . . . A 40 LEU HD12 . 17850 1 475 . 1 1 40 40 LEU HD13 H 1 0.657 0.000 . . . . . A 40 LEU HD13 . 17850 1 476 . 1 1 40 40 LEU HD21 H 1 0.773 0.000 . . . . . A 40 LEU HD21 . 17850 1 477 . 1 1 40 40 LEU HD22 H 1 0.773 0.000 . . . . . A 40 LEU HD22 . 17850 1 478 . 1 1 40 40 LEU HD23 H 1 0.773 0.000 . . . . . A 40 LEU HD23 . 17850 1 479 . 1 1 40 40 LEU C C 13 176.681 0.000 . 1 . . . A 40 LEU C . 17850 1 480 . 1 1 40 40 LEU CA C 13 54.583 0.000 . 1 . . . A 40 LEU CA . 17850 1 481 . 1 1 40 40 LEU CB C 13 41.708 0.012 . 1 . . . A 40 LEU CB . 17850 1 482 . 1 1 40 40 LEU CG C 13 26.210 0.000 . 1 . . . A 40 LEU CG . 17850 1 483 . 1 1 40 40 LEU CD1 C 13 22.409 0.000 . 2 . . . A 40 LEU CD1 . 17850 1 484 . 1 1 40 40 LEU CD2 C 13 26.165 0.000 . 2 . . . A 40 LEU CD2 . 17850 1 485 . 1 1 40 40 LEU N N 15 119.516 0.000 . 1 . . . A 40 LEU N . 17850 1 486 . 1 1 41 41 GLY H H 1 7.858 0.000 . 1 . . . A 41 GLY H . 17850 1 487 . 1 1 41 41 GLY HA2 H 1 3.759 0.000 . . . . . A 41 GLY HA2 . 17850 1 488 . 1 1 41 41 GLY HA3 H 1 4.280 0.000 . 2 . . . A 41 GLY HA3 . 17850 1 489 . 1 1 41 41 GLY C C 13 174.471 0.000 . 1 . . . A 41 GLY C . 17850 1 490 . 1 1 41 41 GLY CA C 13 45.239 0.002 . 1 . . . A 41 GLY CA . 17850 1 491 . 1 1 41 41 GLY N N 15 105.983 0.000 . 1 . . . A 41 GLY N . 17850 1 492 . 1 1 42 42 LEU H H 1 7.707 0.000 . 1 . . . A 42 LEU H . 17850 1 493 . 1 1 42 42 LEU HA H 1 4.471 0.000 . 1 . . . A 42 LEU HA . 17850 1 494 . 1 1 42 42 LEU HB2 H 1 1.213 0.000 . 2 . . . A 42 LEU HB2 . 17850 1 495 . 1 1 42 42 LEU HB3 H 1 1.376 0.000 . 2 . . . A 42 LEU HB3 . 17850 1 496 . 1 1 42 42 LEU HG H 1 1.518 0.000 . 1 . . . A 42 LEU HG . 17850 1 497 . 1 1 42 42 LEU HD11 H 1 0.690 0.000 . . . . . A 42 LEU HD11 . 17850 1 498 . 1 1 42 42 LEU HD12 H 1 0.690 0.000 . . . . . A 42 LEU HD12 . 17850 1 499 . 1 1 42 42 LEU HD13 H 1 0.690 0.000 . . . . . A 42 LEU HD13 . 17850 1 500 . 1 1 42 42 LEU HD21 H 1 0.825 0.000 . . . . . A 42 LEU HD21 . 17850 1 501 . 1 1 42 42 LEU HD22 H 1 0.825 0.000 . . . . . A 42 LEU HD22 . 17850 1 502 . 1 1 42 42 LEU HD23 H 1 0.825 0.000 . . . . . A 42 LEU HD23 . 17850 1 503 . 1 1 42 42 LEU C C 13 175.965 0.000 . 1 . . . A 42 LEU C . 17850 1 504 . 1 1 42 42 LEU CA C 13 54.245 0.000 . 1 . . . A 42 LEU CA . 17850 1 505 . 1 1 42 42 LEU CB C 13 42.531 0.000 . 1 . . . A 42 LEU CB . 17850 1 506 . 1 1 42 42 LEU CG C 13 27.389 0.000 . 1 . . . A 42 LEU CG . 17850 1 507 . 1 1 42 42 LEU CD1 C 13 25.127 0.000 . 2 . . . A 42 LEU CD1 . 17850 1 508 . 1 1 42 42 LEU CD2 C 13 22.514 0.000 . 2 . . . A 42 LEU CD2 . 17850 1 509 . 1 1 42 42 LEU N N 15 120.442 0.000 . 1 . . . A 42 LEU N . 17850 1 510 . 1 1 43 43 SER H H 1 8.634 0.000 . 1 . . . A 43 SER H . 17850 1 511 . 1 1 43 43 SER HA H 1 4.798 0.000 . 1 . . . A 43 SER HA . 17850 1 512 . 1 1 43 43 SER HB2 H 1 3.717 0.000 . 2 . . . A 43 SER HB2 . 17850 1 513 . 1 1 43 43 SER HB3 H 1 3.841 0.000 . 2 . . . A 43 SER HB3 . 17850 1 514 . 1 1 43 43 SER CA C 13 54.912 0.000 . 1 . . . A 43 SER CA . 17850 1 515 . 1 1 43 43 SER CB C 13 63.197 0.001 . 1 . . . A 43 SER CB . 17850 1 516 . 1 1 43 43 SER N N 15 112.838 0.000 . 1 . . . A 43 SER N . 17850 1 517 . 1 1 44 44 PRO HA H 1 4.792 0.000 . 1 . . . A 44 PRO HA . 17850 1 518 . 1 1 44 44 PRO HB2 H 1 2.017 0.000 . 2 . . . A 44 PRO HB2 . 17850 1 519 . 1 1 44 44 PRO HB3 H 1 1.739 0.000 . 2 . . . A 44 PRO HB3 . 17850 1 520 . 1 1 44 44 PRO HG2 H 1 1.820 0.000 . 2 . . . A 44 PRO HG2 . 17850 1 521 . 1 1 44 44 PRO HG3 H 1 1.820 0.000 . 2 . . . A 44 PRO HG3 . 17850 1 522 . 1 1 44 44 PRO HD2 H 1 2.907 0.000 . 2 . . . A 44 PRO HD2 . 17850 1 523 . 1 1 44 44 PRO HD3 H 1 3.521 0.000 . 2 . . . A 44 PRO HD3 . 17850 1 524 . 1 1 44 44 PRO CA C 13 61.881 0.000 . 1 . . . A 44 PRO CA . 17850 1 525 . 1 1 44 44 PRO CB C 13 32.200 0.004 . 1 . . . A 44 PRO CB . 17850 1 526 . 1 1 44 44 PRO CG C 13 26.426 0.000 . 1 . . . A 44 PRO CG . 17850 1 527 . 1 1 44 44 PRO CD C 13 49.745 0.000 . 1 . . . A 44 PRO CD . 17850 1 528 . 1 1 45 45 SER H H 1 9.387 0.000 . 1 . . . A 45 SER H . 17850 1 529 . 1 1 45 45 SER HA H 1 4.611 0.000 . 1 . . . A 45 SER HA . 17850 1 530 . 1 1 45 45 SER HB2 H 1 4.057 0.000 . 2 . . . A 45 SER HB2 . 17850 1 531 . 1 1 45 45 SER HB3 H 1 4.410 0.000 . 2 . . . A 45 SER HB3 . 17850 1 532 . 1 1 45 45 SER C C 13 174.913 0.000 . 1 . . . A 45 SER C . 17850 1 533 . 1 1 45 45 SER CA C 13 56.689 0.000 . 1 . . . A 45 SER CA . 17850 1 534 . 1 1 45 45 SER CB C 13 65.502 0.005 . 1 . . . A 45 SER CB . 17850 1 535 . 1 1 45 45 SER N N 15 119.898 0.000 . 1 . . . A 45 SER N . 17850 1 536 . 1 1 46 46 GLU H H 1 8.913 0.000 . 1 . . . A 46 GLU H . 17850 1 537 . 1 1 46 46 GLU HA H 1 3.939 0.000 . 1 . . . A 46 GLU HA . 17850 1 538 . 1 1 46 46 GLU HB2 H 1 2.033 0.000 . 2 . . . A 46 GLU HB2 . 17850 1 539 . 1 1 46 46 GLU HB3 H 1 2.033 0.000 . 2 . . . A 46 GLU HB3 . 17850 1 540 . 1 1 46 46 GLU HG2 H 1 2.279 0.000 . 2 . . . A 46 GLU HG2 . 17850 1 541 . 1 1 46 46 GLU HG3 H 1 2.368 0.000 . 2 . . . A 46 GLU HG3 . 17850 1 542 . 1 1 46 46 GLU C C 13 179.002 0.000 . 1 . . . A 46 GLU C . 17850 1 543 . 1 1 46 46 GLU CA C 13 60.135 0.000 . 1 . . . A 46 GLU CA . 17850 1 544 . 1 1 46 46 GLU CB C 13 29.347 0.000 . 1 . . . A 46 GLU CB . 17850 1 545 . 1 1 46 46 GLU CG C 13 36.554 0.003 . 1 . . . A 46 GLU CG . 17850 1 546 . 1 1 46 46 GLU N N 15 121.468 0.000 . 1 . . . A 46 GLU N . 17850 1 547 . 1 1 47 47 ALA H H 1 8.324 0.000 . 1 . . . A 47 ALA H . 17850 1 548 . 1 1 47 47 ALA HA H 1 4.152 0.000 . 1 . . . A 47 ALA HA . 17850 1 549 . 1 1 47 47 ALA HB1 H 1 1.434 0.000 . . . . . A 47 ALA HB1 . 17850 1 550 . 1 1 47 47 ALA HB2 H 1 1.434 0.000 . . . . . A 47 ALA HB2 . 17850 1 551 . 1 1 47 47 ALA HB3 H 1 1.434 0.000 . . . . . A 47 ALA HB3 . 17850 1 552 . 1 1 47 47 ALA C C 13 179.962 0.000 . 1 . . . A 47 ALA C . 17850 1 553 . 1 1 47 47 ALA CA C 13 55.118 0.000 . 1 . . . A 47 ALA CA . 17850 1 554 . 1 1 47 47 ALA CB C 13 18.355 0.000 . 1 . . . A 47 ALA CB . 17850 1 555 . 1 1 47 47 ALA N N 15 121.115 0.000 . 1 . . . A 47 ALA N . 17850 1 556 . 1 1 48 48 GLU H H 1 7.756 0.000 . 1 . . . A 48 GLU H . 17850 1 557 . 1 1 48 48 GLU HA H 1 4.104 0.000 . 1 . . . A 48 GLU HA . 17850 1 558 . 1 1 48 48 GLU HB2 H 1 1.958 0.000 . 2 . . . A 48 GLU HB2 . 17850 1 559 . 1 1 48 48 GLU HB3 H 1 2.449 0.000 . 2 . . . A 48 GLU HB3 . 17850 1 560 . 1 1 48 48 GLU HG2 H 1 2.297 0.000 . 2 . . . A 48 GLU HG2 . 17850 1 561 . 1 1 48 48 GLU HG3 H 1 2.365 0.000 . 2 . . . A 48 GLU HG3 . 17850 1 562 . 1 1 48 48 GLU C C 13 179.558 0.000 . 1 . . . A 48 GLU C . 17850 1 563 . 1 1 48 48 GLU CA C 13 59.218 0.000 . 1 . . . A 48 GLU CA . 17850 1 564 . 1 1 48 48 GLU CB C 13 29.904 0.016 . 1 . . . A 48 GLU CB . 17850 1 565 . 1 1 48 48 GLU CG C 13 37.389 0.007 . 1 . . . A 48 GLU CG . 17850 1 566 . 1 1 48 48 GLU N N 15 118.713 0.000 . 1 . . . A 48 GLU N . 17850 1 567 . 1 1 49 49 VAL H H 1 8.129 0.000 . 1 . . . A 49 VAL H . 17850 1 568 . 1 1 49 49 VAL HA H 1 3.464 0.000 . 1 . . . A 49 VAL HA . 17850 1 569 . 1 1 49 49 VAL HB H 1 2.187 0.000 . 1 . . . A 49 VAL HB . 17850 1 570 . 1 1 49 49 VAL HG11 H 1 0.992 0.000 . . . . . A 49 VAL HG11 . 17850 1 571 . 1 1 49 49 VAL HG12 H 1 0.992 0.000 . . . . . A 49 VAL HG12 . 17850 1 572 . 1 1 49 49 VAL HG13 H 1 0.992 0.000 . . . . . A 49 VAL HG13 . 17850 1 573 . 1 1 49 49 VAL HG21 H 1 1.026 0.000 . . . . . A 49 VAL HG21 . 17850 1 574 . 1 1 49 49 VAL HG22 H 1 1.026 0.000 . . . . . A 49 VAL HG22 . 17850 1 575 . 1 1 49 49 VAL HG23 H 1 1.026 0.000 . . . . . A 49 VAL HG23 . 17850 1 576 . 1 1 49 49 VAL C C 13 177.505 0.000 . 1 . . . A 49 VAL C . 17850 1 577 . 1 1 49 49 VAL CA C 13 67.471 0.000 . 1 . . . A 49 VAL CA . 17850 1 578 . 1 1 49 49 VAL CB C 13 31.441 0.000 . 1 . . . A 49 VAL CB . 17850 1 579 . 1 1 49 49 VAL CG1 C 13 23.272 0.000 . 2 . . . A 49 VAL CG1 . 17850 1 580 . 1 1 49 49 VAL CG2 C 13 22.076 0.000 . 2 . . . A 49 VAL CG2 . 17850 1 581 . 1 1 49 49 VAL N N 15 119.108 0.000 . 1 . . . A 49 VAL N . 17850 1 582 . 1 1 50 50 ASN H H 1 8.071 0.000 . 1 . . . A 50 ASN H . 17850 1 583 . 1 1 50 50 ASN HA H 1 4.388 0.000 . 1 . . . A 50 ASN HA . 17850 1 584 . 1 1 50 50 ASN HB2 H 1 2.883 0.000 . 2 . . . A 50 ASN HB2 . 17850 1 585 . 1 1 50 50 ASN HB3 H 1 2.883 0.000 . 2 . . . A 50 ASN HB3 . 17850 1 586 . 1 1 50 50 ASN HD21 H 1 7.745 0.002 . 2 . . . A 50 ASN HD21 . 17850 1 587 . 1 1 50 50 ASN HD22 H 1 7.080 0.002 . 2 . . . A 50 ASN HD22 . 17850 1 588 . 1 1 50 50 ASN C C 13 177.275 0.000 . 1 . . . A 50 ASN C . 17850 1 589 . 1 1 50 50 ASN CA C 13 56.781 0.000 . 1 . . . A 50 ASN CA . 17850 1 590 . 1 1 50 50 ASN CB C 13 38.397 0.000 . 1 . . . A 50 ASN CB . 17850 1 591 . 1 1 50 50 ASN CG C 13 176.429 0.009 . 1 . . . A 50 ASN CG . 17850 1 592 . 1 1 50 50 ASN N N 15 117.942 0.000 . 1 . . . A 50 ASN N . 17850 1 593 . 1 1 50 50 ASN ND2 N 15 114.287 0.000 . 1 . . . A 50 ASN ND2 . 17850 1 594 . 1 1 51 51 ASP H H 1 8.364 0.000 . 1 . . . A 51 ASP H . 17850 1 595 . 1 1 51 51 ASP HA H 1 4.491 0.000 . 1 . . . A 51 ASP HA . 17850 1 596 . 1 1 51 51 ASP HB2 H 1 2.674 0.000 . 2 . . . A 51 ASP HB2 . 17850 1 597 . 1 1 51 51 ASP HB3 H 1 2.867 0.000 . 2 . . . A 51 ASP HB3 . 17850 1 598 . 1 1 51 51 ASP C C 13 179.203 0.000 . 1 . . . A 51 ASP C . 17850 1 599 . 1 1 51 51 ASP CA C 13 57.595 0.000 . 1 . . . A 51 ASP CA . 17850 1 600 . 1 1 51 51 ASP CB C 13 40.314 0.009 . 1 . . . A 51 ASP CB . 17850 1 601 . 1 1 51 51 ASP N N 15 120.669 0.000 . 1 . . . A 51 ASP N . 17850 1 602 . 1 1 52 52 LEU H H 1 8.018 0.000 . 1 . . . A 52 LEU H . 17850 1 603 . 1 1 52 52 LEU HA H 1 4.070 0.000 . 1 . . . A 52 LEU HA . 17850 1 604 . 1 1 52 52 LEU HB2 H 1 1.572 0.000 . 2 . . . A 52 LEU HB2 . 17850 1 605 . 1 1 52 52 LEU HB3 H 1 1.846 0.000 . 2 . . . A 52 LEU HB3 . 17850 1 606 . 1 1 52 52 LEU HG H 1 1.753 0.000 . 1 . . . A 52 LEU HG . 17850 1 607 . 1 1 52 52 LEU HD11 H 1 0.891 0.000 . . . . . A 52 LEU HD11 . 17850 1 608 . 1 1 52 52 LEU HD12 H 1 0.891 0.000 . . . . . A 52 LEU HD12 . 17850 1 609 . 1 1 52 52 LEU HD13 H 1 0.891 0.000 . . . . . A 52 LEU HD13 . 17850 1 610 . 1 1 52 52 LEU HD21 H 1 0.898 0.000 . . . . . A 52 LEU HD21 . 17850 1 611 . 1 1 52 52 LEU HD22 H 1 0.898 0.000 . . . . . A 52 LEU HD22 . 17850 1 612 . 1 1 52 52 LEU HD23 H 1 0.898 0.000 . . . . . A 52 LEU HD23 . 17850 1 613 . 1 1 52 52 LEU C C 13 179.017 0.000 . 1 . . . A 52 LEU C . 17850 1 614 . 1 1 52 52 LEU CA C 13 58.457 0.000 . 1 . . . A 52 LEU CA . 17850 1 615 . 1 1 52 52 LEU CB C 13 42.081 0.004 . 1 . . . A 52 LEU CB . 17850 1 616 . 1 1 52 52 LEU CG C 13 27.417 0.000 . 1 . . . A 52 LEU CG . 17850 1 617 . 1 1 52 52 LEU CD1 C 13 25.491 0.000 . 2 . . . A 52 LEU CD1 . 17850 1 618 . 1 1 52 52 LEU CD2 C 13 25.512 0.000 . 2 . . . A 52 LEU CD2 . 17850 1 619 . 1 1 52 52 LEU N N 15 122.409 0.000 . 1 . . . A 52 LEU N . 17850 1 620 . 1 1 53 53 MET H H 1 8.562 0.000 . 1 . . . A 53 MET H . 17850 1 621 . 1 1 53 53 MET HA H 1 4.112 0.000 . 1 . . . A 53 MET HA . 17850 1 622 . 1 1 53 53 MET HB2 H 1 2.042 0.000 . 2 . . . A 53 MET HB2 . 17850 1 623 . 1 1 53 53 MET HB3 H 1 2.042 0.000 . 2 . . . A 53 MET HB3 . 17850 1 624 . 1 1 53 53 MET HG2 H 1 2.368 0.000 . 2 . . . A 53 MET HG2 . 17850 1 625 . 1 1 53 53 MET HG3 H 1 2.368 0.000 . 2 . . . A 53 MET HG3 . 17850 1 626 . 1 1 53 53 MET HE1 H 1 1.907 0.000 . . . . . A 53 MET HE1 . 17850 1 627 . 1 1 53 53 MET HE2 H 1 1.907 0.000 . . . . . A 53 MET HE2 . 17850 1 628 . 1 1 53 53 MET HE3 H 1 1.907 0.000 . . . . . A 53 MET HE3 . 17850 1 629 . 1 1 53 53 MET CA C 13 57.472 0.000 . 1 . . . A 53 MET CA . 17850 1 630 . 1 1 53 53 MET CB C 13 30.021 0.000 . 1 . . . A 53 MET CB . 17850 1 631 . 1 1 53 53 MET CG C 13 31.620 0.000 . 1 . . . A 53 MET CG . 17850 1 632 . 1 1 53 53 MET CE C 13 16.503 0.000 . 1 . . . A 53 MET CE . 17850 1 633 . 1 1 53 53 MET N N 15 117.391 0.000 . 1 . . . A 53 MET N . 17850 1 634 . 1 1 54 54 ASN H H 1 8.204 0.000 . 1 . . . A 54 ASN H . 17850 1 635 . 1 1 54 54 ASN HA H 1 4.558 0.000 . 1 . . . A 54 ASN HA . 17850 1 636 . 1 1 54 54 ASN HB2 H 1 2.909 0.000 . 2 . . . A 54 ASN HB2 . 17850 1 637 . 1 1 54 54 ASN HB3 H 1 2.995 0.000 . 2 . . . A 54 ASN HB3 . 17850 1 638 . 1 1 54 54 ASN HD21 H 1 7.848 0.001 . 2 . . . A 54 ASN HD21 . 17850 1 639 . 1 1 54 54 ASN HD22 H 1 6.767 0.002 . 2 . . . A 54 ASN HD22 . 17850 1 640 . 1 1 54 54 ASN C C 13 176.801 0.000 . 1 . . . A 54 ASN C . 17850 1 641 . 1 1 54 54 ASN CA C 13 55.297 0.000 . 1 . . . A 54 ASN CA . 17850 1 642 . 1 1 54 54 ASN CB C 13 38.157 0.011 . 1 . . . A 54 ASN CB . 17850 1 643 . 1 1 54 54 ASN CG C 13 176.383 0.009 . 1 . . . A 54 ASN CG . 17850 1 644 . 1 1 54 54 ASN N N 15 115.554 0.000 . 1 . . . A 54 ASN N . 17850 1 645 . 1 1 54 54 ASN ND2 N 15 112.252 0.000 . 1 . . . A 54 ASN ND2 . 17850 1 646 . 1 1 55 55 GLU H H 1 7.617 0.000 . 1 . . . A 55 GLU H . 17850 1 647 . 1 1 55 55 GLU HA H 1 4.202 0.000 . 1 . . . A 55 GLU HA . 17850 1 648 . 1 1 55 55 GLU HB2 H 1 2.124 0.000 . 2 . . . A 55 GLU HB2 . 17850 1 649 . 1 1 55 55 GLU HB3 H 1 2.218 0.000 . 2 . . . A 55 GLU HB3 . 17850 1 650 . 1 1 55 55 GLU HG2 H 1 2.337 0.000 . 2 . . . A 55 GLU HG2 . 17850 1 651 . 1 1 55 55 GLU HG3 H 1 2.337 0.000 . 2 . . . A 55 GLU HG3 . 17850 1 652 . 1 1 55 55 GLU C C 13 177.093 0.000 . 1 . . . A 55 GLU C . 17850 1 653 . 1 1 55 55 GLU CA C 13 57.827 0.000 . 1 . . . A 55 GLU CA . 17850 1 654 . 1 1 55 55 GLU CB C 13 30.020 0.002 . 1 . . . A 55 GLU CB . 17850 1 655 . 1 1 55 55 GLU CG C 13 35.703 0.000 . 1 . . . A 55 GLU CG . 17850 1 656 . 1 1 55 55 GLU N N 15 117.659 0.000 . 1 . . . A 55 GLU N . 17850 1 657 . 1 1 56 56 ILE H H 1 7.472 0.000 . 1 . . . A 56 ILE H . 17850 1 658 . 1 1 56 56 ILE HA H 1 3.884 0.000 . 1 . . . A 56 ILE HA . 17850 1 659 . 1 1 56 56 ILE HB H 1 1.562 0.000 . 1 . . . A 56 ILE HB . 17850 1 660 . 1 1 56 56 ILE HG12 H 1 0.833 0.000 . 2 . . . A 56 ILE HG12 . 17850 1 661 . 1 1 56 56 ILE HG13 H 1 1.913 0.000 . 2 . . . A 56 ILE HG13 . 17850 1 662 . 1 1 56 56 ILE HG21 H 1 0.919 0.000 . . . . . A 56 ILE HG21 . 17850 1 663 . 1 1 56 56 ILE HG22 H 1 0.919 0.000 . . . . . A 56 ILE HG22 . 17850 1 664 . 1 1 56 56 ILE HG23 H 1 0.919 0.000 . . . . . A 56 ILE HG23 . 17850 1 665 . 1 1 56 56 ILE HD11 H 1 0.666 0.000 . . . . . A 56 ILE HD11 . 17850 1 666 . 1 1 56 56 ILE HD12 H 1 0.666 0.000 . . . . . A 56 ILE HD12 . 17850 1 667 . 1 1 56 56 ILE HD13 H 1 0.666 0.000 . . . . . A 56 ILE HD13 . 17850 1 668 . 1 1 56 56 ILE C C 13 176.029 0.000 . 1 . . . A 56 ILE C . 17850 1 669 . 1 1 56 56 ILE CA C 13 62.814 0.000 . 1 . . . A 56 ILE CA . 17850 1 670 . 1 1 56 56 ILE CB C 13 39.928 0.000 . 1 . . . A 56 ILE CB . 17850 1 671 . 1 1 56 56 ILE CG1 C 13 27.751 0.002 . 1 . . . A 56 ILE CG1 . 17850 1 672 . 1 1 56 56 ILE CG2 C 13 19.207 0.000 . 1 . . . A 56 ILE CG2 . 17850 1 673 . 1 1 56 56 ILE CD1 C 13 13.109 0.000 . 1 . . . A 56 ILE CD1 . 17850 1 674 . 1 1 56 56 ILE N N 15 117.618 0.000 . 1 . . . A 56 ILE N . 17850 1 675 . 1 1 57 57 ASP H H 1 8.304 0.000 . 1 . . . A 57 ASP H . 17850 1 676 . 1 1 57 57 ASP HA H 1 4.412 0.000 . 1 . . . A 57 ASP HA . 17850 1 677 . 1 1 57 57 ASP HB2 H 1 2.462 0.000 . 2 . . . A 57 ASP HB2 . 17850 1 678 . 1 1 57 57 ASP HB3 H 1 2.804 0.000 . 2 . . . A 57 ASP HB3 . 17850 1 679 . 1 1 57 57 ASP C C 13 175.691 0.000 . 1 . . . A 57 ASP C . 17850 1 680 . 1 1 57 57 ASP CA C 13 54.533 0.000 . 1 . . . A 57 ASP CA . 17850 1 681 . 1 1 57 57 ASP CB C 13 41.245 0.005 . 1 . . . A 57 ASP CB . 17850 1 682 . 1 1 57 57 ASP N N 15 118.636 0.000 . 1 . . . A 57 ASP N . 17850 1 683 . 1 1 58 58 VAL H H 1 7.926 0.000 . 1 . . . A 58 VAL H . 17850 1 684 . 1 1 58 58 VAL HA H 1 3.994 0.000 . 1 . . . A 58 VAL HA . 17850 1 685 . 1 1 58 58 VAL HB H 1 2.178 0.000 . 1 . . . A 58 VAL HB . 17850 1 686 . 1 1 58 58 VAL HG11 H 1 0.940 0.000 . . . . . A 58 VAL HG11 . 17850 1 687 . 1 1 58 58 VAL HG12 H 1 0.940 0.000 . . . . . A 58 VAL HG12 . 17850 1 688 . 1 1 58 58 VAL HG13 H 1 0.940 0.000 . . . . . A 58 VAL HG13 . 17850 1 689 . 1 1 58 58 VAL HG21 H 1 1.081 0.000 . . . . . A 58 VAL HG21 . 17850 1 690 . 1 1 58 58 VAL HG22 H 1 1.081 0.000 . . . . . A 58 VAL HG22 . 17850 1 691 . 1 1 58 58 VAL HG23 H 1 1.081 0.000 . . . . . A 58 VAL HG23 . 17850 1 692 . 1 1 58 58 VAL C C 13 177.258 0.000 . 1 . . . A 58 VAL C . 17850 1 693 . 1 1 58 58 VAL CA C 13 64.334 0.000 . 1 . . . A 58 VAL CA . 17850 1 694 . 1 1 58 58 VAL CB C 13 33.307 0.000 . 1 . . . A 58 VAL CB . 17850 1 695 . 1 1 58 58 VAL CG1 C 13 21.184 0.000 . 2 . . . A 58 VAL CG1 . 17850 1 696 . 1 1 58 58 VAL CG2 C 13 21.567 0.000 . 2 . . . A 58 VAL CG2 . 17850 1 697 . 1 1 58 58 VAL N N 15 126.376 0.000 . 1 . . . A 58 VAL N . 17850 1 698 . 1 1 59 59 ASP H H 1 8.363 0.000 . 1 . . . A 59 ASP H . 17850 1 699 . 1 1 59 59 ASP HA H 1 4.557 0.000 . 1 . . . A 59 ASP HA . 17850 1 700 . 1 1 59 59 ASP HB2 H 1 2.678 0.000 . 2 . . . A 59 ASP HB2 . 17850 1 701 . 1 1 59 59 ASP HB3 H 1 2.987 0.000 . 2 . . . A 59 ASP HB3 . 17850 1 702 . 1 1 59 59 ASP C C 13 177.759 0.000 . 1 . . . A 59 ASP C . 17850 1 703 . 1 1 59 59 ASP CA C 13 53.876 0.000 . 1 . . . A 59 ASP CA . 17850 1 704 . 1 1 59 59 ASP CB C 13 40.058 0.003 . 1 . . . A 59 ASP CB . 17850 1 705 . 1 1 59 59 ASP N N 15 117.093 0.000 . 1 . . . A 59 ASP N . 17850 1 706 . 1 1 60 60 GLY H H 1 7.636 0.000 . 1 . . . A 60 GLY H . 17850 1 707 . 1 1 60 60 GLY HA2 H 1 3.732 0.000 . . . . . A 60 GLY HA2 . 17850 1 708 . 1 1 60 60 GLY HA3 H 1 3.996 0.000 . 2 . . . A 60 GLY HA3 . 17850 1 709 . 1 1 60 60 GLY C C 13 174.700 0.000 . 1 . . . A 60 GLY C . 17850 1 710 . 1 1 60 60 GLY CA C 13 47.120 0.001 . 1 . . . A 60 GLY CA . 17850 1 711 . 1 1 60 60 GLY N N 15 108.290 0.000 . 1 . . . A 60 GLY N . 17850 1 712 . 1 1 61 61 ASN H H 1 8.078 0.000 . 1 . . . A 61 ASN H . 17850 1 713 . 1 1 61 61 ASN HA H 1 4.529 0.000 . 1 . . . A 61 ASN HA . 17850 1 714 . 1 1 61 61 ASN HB2 H 1 2.682 0.000 . 2 . . . A 61 ASN HB2 . 17850 1 715 . 1 1 61 61 ASN HB3 H 1 3.199 0.000 . 2 . . . A 61 ASN HB3 . 17850 1 716 . 1 1 61 61 ASN HD21 H 1 9.006 0.000 . 2 . . . A 61 ASN HD21 . 17850 1 717 . 1 1 61 61 ASN HD22 H 1 7.710 0.001 . 2 . . . A 61 ASN HD22 . 17850 1 718 . 1 1 61 61 ASN C C 13 175.856 0.000 . 1 . . . A 61 ASN C . 17850 1 719 . 1 1 61 61 ASN CA C 13 52.360 0.000 . 1 . . . A 61 ASN CA . 17850 1 720 . 1 1 61 61 ASN CB C 13 37.177 0.001 . 1 . . . A 61 ASN CB . 17850 1 721 . 1 1 61 61 ASN N N 15 118.884 0.000 . 1 . . . A 61 ASN N . 17850 1 722 . 1 1 61 61 ASN ND2 N 15 118.282 0.003 . 1 . . . A 61 ASN ND2 . 17850 1 723 . 1 1 62 62 HIS H H 1 9.958 0.000 . 1 . . . A 62 HIS H . 17850 1 724 . 1 1 62 62 HIS HA H 1 3.877 0.000 . 1 . . . A 62 HIS HA . 17850 1 725 . 1 1 62 62 HIS HB2 H 1 3.436 0.000 . 2 . . . A 62 HIS HB2 . 17850 1 726 . 1 1 62 62 HIS HB3 H 1 3.555 0.000 . 2 . . . A 62 HIS HB3 . 17850 1 727 . 1 1 62 62 HIS HD2 H 1 7.223 0.000 . 1 . . . A 62 HIS HD2 . 17850 1 728 . 1 1 62 62 HIS HE1 H 1 8.504 0.000 . 1 . . . A 62 HIS HE1 . 17850 1 729 . 1 1 62 62 HIS C C 13 172.310 0.000 . 1 . . . A 62 HIS C . 17850 1 730 . 1 1 62 62 HIS CA C 13 56.373 0.000 . 1 . . . A 62 HIS CA . 17850 1 731 . 1 1 62 62 HIS CB C 13 26.734 0.001 . 1 . . . A 62 HIS CB . 17850 1 732 . 1 1 62 62 HIS CD2 C 13 120.482 0.000 . 1 . . . A 62 HIS CD2 . 17850 1 733 . 1 1 62 62 HIS CE1 C 13 136.589 0.000 . 1 . . . A 62 HIS CE1 . 17850 1 734 . 1 1 62 62 HIS N N 15 117.381 0.000 . 1 . . . A 62 HIS N . 17850 1 735 . 1 1 63 63 GLN H H 1 7.535 0.000 . 1 . . . A 63 GLN H . 17850 1 736 . 1 1 63 63 GLN HA H 1 4.832 0.000 . 1 . . . A 63 GLN HA . 17850 1 737 . 1 1 63 63 GLN HB2 H 1 1.778 0.000 . 2 . . . A 63 GLN HB2 . 17850 1 738 . 1 1 63 63 GLN HB3 H 1 1.966 0.000 . 2 . . . A 63 GLN HB3 . 17850 1 739 . 1 1 63 63 GLN HG2 H 1 2.137 0.000 . 2 . . . A 63 GLN HG2 . 17850 1 740 . 1 1 63 63 GLN HG3 H 1 2.255 0.000 . 2 . . . A 63 GLN HG3 . 17850 1 741 . 1 1 63 63 GLN HE21 H 1 7.147 0.000 . 2 . . . A 63 GLN HE21 . 17850 1 742 . 1 1 63 63 GLN HE22 H 1 6.608 0.000 . 2 . . . A 63 GLN HE22 . 17850 1 743 . 1 1 63 63 GLN C C 13 174.861 0.000 . 1 . . . A 63 GLN C . 17850 1 744 . 1 1 63 63 GLN CA C 13 53.875 0.000 . 1 . . . A 63 GLN CA . 17850 1 745 . 1 1 63 63 GLN CB C 13 32.150 0.001 . 1 . . . A 63 GLN CB . 17850 1 746 . 1 1 63 63 GLN CG C 13 33.559 0.002 . 1 . . . A 63 GLN CG . 17850 1 747 . 1 1 63 63 GLN CD C 13 180.032 0.007 . 1 . . . A 63 GLN CD . 17850 1 748 . 1 1 63 63 GLN N N 15 112.906 0.000 . 1 . . . A 63 GLN N . 17850 1 749 . 1 1 63 63 GLN NE2 N 15 110.417 0.002 . 1 . . . A 63 GLN NE2 . 17850 1 750 . 1 1 64 64 ILE H H 1 9.274 0.000 . 1 . . . A 64 ILE H . 17850 1 751 . 1 1 64 64 ILE HA H 1 5.072 0.000 . 1 . . . A 64 ILE HA . 17850 1 752 . 1 1 64 64 ILE HB H 1 2.072 0.000 . 1 . . . A 64 ILE HB . 17850 1 753 . 1 1 64 64 ILE HG12 H 1 0.870 0.000 . 2 . . . A 64 ILE HG12 . 17850 1 754 . 1 1 64 64 ILE HG13 H 1 1.624 0.000 . 2 . . . A 64 ILE HG13 . 17850 1 755 . 1 1 64 64 ILE HG21 H 1 1.113 0.000 . . . . . A 64 ILE HG21 . 17850 1 756 . 1 1 64 64 ILE HG22 H 1 1.113 0.000 . . . . . A 64 ILE HG22 . 17850 1 757 . 1 1 64 64 ILE HG23 H 1 1.113 0.000 . . . . . A 64 ILE HG23 . 17850 1 758 . 1 1 64 64 ILE HD11 H 1 0.775 0.000 . . . . . A 64 ILE HD11 . 17850 1 759 . 1 1 64 64 ILE HD12 H 1 0.775 0.000 . . . . . A 64 ILE HD12 . 17850 1 760 . 1 1 64 64 ILE HD13 H 1 0.775 0.000 . . . . . A 64 ILE HD13 . 17850 1 761 . 1 1 64 64 ILE C C 13 176.670 0.000 . 1 . . . A 64 ILE C . 17850 1 762 . 1 1 64 64 ILE CA C 13 59.671 0.000 . 1 . . . A 64 ILE CA . 17850 1 763 . 1 1 64 64 ILE CB C 13 39.167 0.000 . 1 . . . A 64 ILE CB . 17850 1 764 . 1 1 64 64 ILE CG1 C 13 26.907 0.003 . 1 . . . A 64 ILE CG1 . 17850 1 765 . 1 1 64 64 ILE CG2 C 13 18.804 0.000 . 1 . . . A 64 ILE CG2 . 17850 1 766 . 1 1 64 64 ILE CD1 C 13 13.879 0.000 . 1 . . . A 64 ILE CD1 . 17850 1 767 . 1 1 64 64 ILE N N 15 124.083 0.000 . 1 . . . A 64 ILE N . 17850 1 768 . 1 1 65 65 GLU H H 1 8.848 0.000 . 1 . . . A 65 GLU H . 17850 1 769 . 1 1 65 65 GLU HA H 1 5.040 0.000 . 1 . . . A 65 GLU HA . 17850 1 770 . 1 1 65 65 GLU HB2 H 1 2.029 0.000 . 2 . . . A 65 GLU HB2 . 17850 1 771 . 1 1 65 65 GLU HB3 H 1 2.396 0.000 . 2 . . . A 65 GLU HB3 . 17850 1 772 . 1 1 65 65 GLU HG2 H 1 2.316 0.000 . 2 . . . A 65 GLU HG2 . 17850 1 773 . 1 1 65 65 GLU HG3 H 1 2.612 0.000 . 2 . . . A 65 GLU HG3 . 17850 1 774 . 1 1 65 65 GLU C C 13 178.156 0.000 . 1 . . . A 65 GLU C . 17850 1 775 . 1 1 65 65 GLU CA C 13 57.848 0.000 . 1 . . . A 65 GLU CA . 17850 1 776 . 1 1 65 65 GLU CB C 13 31.180 0.001 . 1 . . . A 65 GLU CB . 17850 1 777 . 1 1 65 65 GLU CG C 13 39.430 0.000 . 1 . . . A 65 GLU CG . 17850 1 778 . 1 1 65 65 GLU N N 15 129.276 0.000 . 1 . . . A 65 GLU N . 17850 1 779 . 1 1 66 66 PHE H H 1 9.353 0.000 . 1 . . . A 66 PHE H . 17850 1 780 . 1 1 66 66 PHE HA H 1 3.690 0.000 . 1 . . . A 66 PHE HA . 17850 1 781 . 1 1 66 66 PHE HB2 H 1 2.301 0.000 . 2 . . . A 66 PHE HB2 . 17850 1 782 . 1 1 66 66 PHE HB3 H 1 2.701 0.000 . 2 . . . A 66 PHE HB3 . 17850 1 783 . 1 1 66 66 PHE HD1 H 1 6.648 0.000 . 3 . . . A 66 PHE HD1 . 17850 1 784 . 1 1 66 66 PHE HD2 H 1 6.648 0.000 . 3 . . . A 66 PHE HD2 . 17850 1 785 . 1 1 66 66 PHE HE1 H 1 7.163 0.000 . 3 . . . A 66 PHE HE1 . 17850 1 786 . 1 1 66 66 PHE HE2 H 1 7.163 0.000 . 3 . . . A 66 PHE HE2 . 17850 1 787 . 1 1 66 66 PHE HZ H 1 7.351 0.000 . 1 . . . A 66 PHE HZ . 17850 1 788 . 1 1 66 66 PHE C C 13 177.294 0.000 . 1 . . . A 66 PHE C . 17850 1 789 . 1 1 66 66 PHE CA C 13 62.020 0.000 . 1 . . . A 66 PHE CA . 17850 1 790 . 1 1 66 66 PHE CB C 13 37.954 0.008 . 1 . . . A 66 PHE CB . 17850 1 791 . 1 1 66 66 PHE CD1 C 13 131.855 0.000 . 3 . . . A 66 PHE CD1 . 17850 1 792 . 1 1 66 66 PHE CE1 C 13 130.629 0.000 . 3 . . . A 66 PHE CE1 . 17850 1 793 . 1 1 66 66 PHE CZ C 13 129.516 0.000 . 1 . . . A 66 PHE CZ . 17850 1 794 . 1 1 66 66 PHE N N 15 124.260 0.000 . 1 . . . A 66 PHE N . 17850 1 795 . 1 1 67 67 SER H H 1 9.035 0.000 . 1 . . . A 67 SER H . 17850 1 796 . 1 1 67 67 SER HA H 1 3.726 0.000 . 1 . . . A 67 SER HA . 17850 1 797 . 1 1 67 67 SER HB2 H 1 3.847 0.000 . 2 . . . A 67 SER HB2 . 17850 1 798 . 1 1 67 67 SER HB3 H 1 3.930 0.000 . 2 . . . A 67 SER HB3 . 17850 1 799 . 1 1 67 67 SER C C 13 177.352 0.000 . 1 . . . A 67 SER C . 17850 1 800 . 1 1 67 67 SER CA C 13 61.581 0.000 . 1 . . . A 67 SER CA . 17850 1 801 . 1 1 67 67 SER CB C 13 61.379 0.000 . 1 . . . A 67 SER CB . 17850 1 802 . 1 1 67 67 SER N N 15 112.827 0.000 . 1 . . . A 67 SER N . 17850 1 803 . 1 1 68 68 GLU H H 1 6.829 0.000 . 1 . . . A 68 GLU H . 17850 1 804 . 1 1 68 68 GLU HA H 1 4.135 0.000 . 1 . . . A 68 GLU HA . 17850 1 805 . 1 1 68 68 GLU HB2 H 1 2.281 0.000 . 2 . . . A 68 GLU HB2 . 17850 1 806 . 1 1 68 68 GLU HB3 H 1 2.795 0.000 . 2 . . . A 68 GLU HB3 . 17850 1 807 . 1 1 68 68 GLU HG2 H 1 2.426 0.000 . 2 . . . A 68 GLU HG2 . 17850 1 808 . 1 1 68 68 GLU HG3 H 1 2.582 0.000 . 2 . . . A 68 GLU HG3 . 17850 1 809 . 1 1 68 68 GLU C C 13 178.895 0.000 . 1 . . . A 68 GLU C . 17850 1 810 . 1 1 68 68 GLU CA C 13 57.978 0.000 . 1 . . . A 68 GLU CA . 17850 1 811 . 1 1 68 68 GLU CB C 13 29.277 0.020 . 1 . . . A 68 GLU CB . 17850 1 812 . 1 1 68 68 GLU CG C 13 36.557 0.001 . 1 . . . A 68 GLU CG . 17850 1 813 . 1 1 68 68 GLU N N 15 123.071 0.000 . 1 . . . A 68 GLU N . 17850 1 814 . 1 1 69 69 PHE H H 1 8.245 0.000 . 1 . . . A 69 PHE H . 17850 1 815 . 1 1 69 69 PHE HA H 1 3.899 0.000 . 1 . . . A 69 PHE HA . 17850 1 816 . 1 1 69 69 PHE HB2 H 1 3.047 0.000 . 2 . . . A 69 PHE HB2 . 17850 1 817 . 1 1 69 69 PHE HB3 H 1 3.348 0.000 . 2 . . . A 69 PHE HB3 . 17850 1 818 . 1 1 69 69 PHE HD1 H 1 6.882 0.000 . 3 . . . A 69 PHE HD1 . 17850 1 819 . 1 1 69 69 PHE HD2 H 1 6.882 0.000 . 3 . . . A 69 PHE HD2 . 17850 1 820 . 1 1 69 69 PHE HE1 H 1 7.319 0.000 . 3 . . . A 69 PHE HE1 . 17850 1 821 . 1 1 69 69 PHE HE2 H 1 7.319 0.000 . 3 . . . A 69 PHE HE2 . 17850 1 822 . 1 1 69 69 PHE HZ H 1 7.217 0.000 . 1 . . . A 69 PHE HZ . 17850 1 823 . 1 1 69 69 PHE C C 13 176.325 0.000 . 1 . . . A 69 PHE C . 17850 1 824 . 1 1 69 69 PHE CA C 13 61.426 0.000 . 1 . . . A 69 PHE CA . 17850 1 825 . 1 1 69 69 PHE CB C 13 40.428 0.005 . 1 . . . A 69 PHE CB . 17850 1 826 . 1 1 69 69 PHE CD1 C 13 131.290 0.000 . 3 . . . A 69 PHE CD1 . 17850 1 827 . 1 1 69 69 PHE CE1 C 13 131.031 0.000 . 3 . . . A 69 PHE CE1 . 17850 1 828 . 1 1 69 69 PHE CZ C 13 129.658 0.000 . 1 . . . A 69 PHE CZ . 17850 1 829 . 1 1 69 69 PHE N N 15 123.805 0.000 . 1 . . . A 69 PHE N . 17850 1 830 . 1 1 70 70 LEU H H 1 8.788 0.000 . 1 . . . A 70 LEU H . 17850 1 831 . 1 1 70 70 LEU HA H 1 3.236 0.000 . 1 . . . A 70 LEU HA . 17850 1 832 . 1 1 70 70 LEU HB2 H 1 1.148 0.000 . 2 . . . A 70 LEU HB2 . 17850 1 833 . 1 1 70 70 LEU HB3 H 1 1.148 0.000 . 2 . . . A 70 LEU HB3 . 17850 1 834 . 1 1 70 70 LEU HG H 1 0.948 0.000 . 1 . . . A 70 LEU HG . 17850 1 835 . 1 1 70 70 LEU HD11 H 1 0.469 0.000 . . . . . A 70 LEU HD11 . 17850 1 836 . 1 1 70 70 LEU HD12 H 1 0.469 0.000 . . . . . A 70 LEU HD12 . 17850 1 837 . 1 1 70 70 LEU HD13 H 1 0.469 0.000 . . . . . A 70 LEU HD13 . 17850 1 838 . 1 1 70 70 LEU HD21 H 1 0.554 0.000 . . . . . A 70 LEU HD21 . 17850 1 839 . 1 1 70 70 LEU HD22 H 1 0.554 0.000 . . . . . A 70 LEU HD22 . 17850 1 840 . 1 1 70 70 LEU HD23 H 1 0.554 0.000 . . . . . A 70 LEU HD23 . 17850 1 841 . 1 1 70 70 LEU C C 13 179.131 0.000 . 1 . . . A 70 LEU C . 17850 1 842 . 1 1 70 70 LEU CA C 13 57.477 0.000 . 1 . . . A 70 LEU CA . 17850 1 843 . 1 1 70 70 LEU CB C 13 41.328 0.000 . 1 . . . A 70 LEU CB . 17850 1 844 . 1 1 70 70 LEU CG C 13 26.041 0.000 . 1 . . . A 70 LEU CG . 17850 1 845 . 1 1 70 70 LEU CD1 C 13 25.138 0.000 . 2 . . . A 70 LEU CD1 . 17850 1 846 . 1 1 70 70 LEU CD2 C 13 24.263 0.000 . 2 . . . A 70 LEU CD2 . 17850 1 847 . 1 1 70 70 LEU N N 15 119.210 0.000 . 1 . . . A 70 LEU N . 17850 1 848 . 1 1 71 71 ALA H H 1 7.365 0.000 . 1 . . . A 71 ALA H . 17850 1 849 . 1 1 71 71 ALA HA H 1 3.909 0.000 . 1 . . . A 71 ALA HA . 17850 1 850 . 1 1 71 71 ALA HB1 H 1 1.427 0.000 . . . . . A 71 ALA HB1 . 17850 1 851 . 1 1 71 71 ALA HB2 H 1 1.427 0.000 . . . . . A 71 ALA HB2 . 17850 1 852 . 1 1 71 71 ALA HB3 H 1 1.427 0.000 . . . . . A 71 ALA HB3 . 17850 1 853 . 1 1 71 71 ALA C C 13 179.804 0.000 . 1 . . . A 71 ALA C . 17850 1 854 . 1 1 71 71 ALA CA C 13 55.116 0.000 . 1 . . . A 71 ALA CA . 17850 1 855 . 1 1 71 71 ALA CB C 13 17.762 0.000 . 1 . . . A 71 ALA CB . 17850 1 856 . 1 1 71 71 ALA N N 15 121.612 0.000 . 1 . . . A 71 ALA N . 17850 1 857 . 1 1 72 72 LEU H H 1 7.142 0.000 . 1 . . . A 72 LEU H . 17850 1 858 . 1 1 72 72 LEU HA H 1 3.964 0.000 . 1 . . . A 72 LEU HA . 17850 1 859 . 1 1 72 72 LEU HB2 H 1 1.503 0.000 . 2 . . . A 72 LEU HB2 . 17850 1 860 . 1 1 72 72 LEU HB3 H 1 1.832 0.000 . 2 . . . A 72 LEU HB3 . 17850 1 861 . 1 1 72 72 LEU HG H 1 1.251 0.000 . 1 . . . A 72 LEU HG . 17850 1 862 . 1 1 72 72 LEU HD11 H 1 0.660 0.000 . . . . . A 72 LEU HD11 . 17850 1 863 . 1 1 72 72 LEU HD12 H 1 0.660 0.000 . . . . . A 72 LEU HD12 . 17850 1 864 . 1 1 72 72 LEU HD13 H 1 0.660 0.000 . . . . . A 72 LEU HD13 . 17850 1 865 . 1 1 72 72 LEU HD21 H 1 0.846 0.000 . . . . . A 72 LEU HD21 . 17850 1 866 . 1 1 72 72 LEU HD22 H 1 0.846 0.000 . . . . . A 72 LEU HD22 . 17850 1 867 . 1 1 72 72 LEU HD23 H 1 0.846 0.000 . . . . . A 72 LEU HD23 . 17850 1 868 . 1 1 72 72 LEU C C 13 178.415 0.000 . 1 . . . A 72 LEU C . 17850 1 869 . 1 1 72 72 LEU CA C 13 57.817 0.000 . 1 . . . A 72 LEU CA . 17850 1 870 . 1 1 72 72 LEU CB C 13 41.468 0.004 . 1 . . . A 72 LEU CB . 17850 1 871 . 1 1 72 72 LEU CG C 13 26.988 0.000 . 1 . . . A 72 LEU CG . 17850 1 872 . 1 1 72 72 LEU CD1 C 13 25.337 0.000 . 2 . . . A 72 LEU CD1 . 17850 1 873 . 1 1 72 72 LEU CD2 C 13 23.416 0.000 . 2 . . . A 72 LEU CD2 . 17850 1 874 . 1 1 72 72 LEU N N 15 118.944 0.000 . 1 . . . A 72 LEU N . 17850 1 875 . 1 1 73 73 MET H H 1 7.726 0.000 . 1 . . . A 73 MET H . 17850 1 876 . 1 1 73 73 MET HA H 1 3.978 0.000 . 1 . . . A 73 MET HA . 17850 1 877 . 1 1 73 73 MET HB2 H 1 1.172 0.000 . 2 . . . A 73 MET HB2 . 17850 1 878 . 1 1 73 73 MET HB3 H 1 1.172 0.000 . 2 . . . A 73 MET HB3 . 17850 1 879 . 1 1 73 73 MET HG2 H 1 1.518 0.000 . 2 . . . A 73 MET HG2 . 17850 1 880 . 1 1 73 73 MET HG3 H 1 1.518 0.000 . 2 . . . A 73 MET HG3 . 17850 1 881 . 1 1 73 73 MET HE1 H 1 1.710 0.000 . . . . . A 73 MET HE1 . 17850 1 882 . 1 1 73 73 MET HE2 H 1 1.710 0.000 . . . . . A 73 MET HE2 . 17850 1 883 . 1 1 73 73 MET HE3 H 1 1.710 0.000 . . . . . A 73 MET HE3 . 17850 1 884 . 1 1 73 73 MET C C 13 178.283 0.000 . 1 . . . A 73 MET C . 17850 1 885 . 1 1 73 73 MET CA C 13 55.701 0.000 . 1 . . . A 73 MET CA . 17850 1 886 . 1 1 73 73 MET CB C 13 30.742 0.000 . 1 . . . A 73 MET CB . 17850 1 887 . 1 1 73 73 MET CG C 13 31.974 0.000 . 1 . . . A 73 MET CG . 17850 1 888 . 1 1 73 73 MET CE C 13 17.220 0.000 . 1 . . . A 73 MET CE . 17850 1 889 . 1 1 73 73 MET N N 15 114.500 0.000 . 1 . . . A 73 MET N . 17850 1 890 . 1 1 74 74 SER H H 1 7.857 0.000 . 1 . . . A 74 SER H . 17850 1 891 . 1 1 74 74 SER HA H 1 4.287 0.000 . 1 . . . A 74 SER HA . 17850 1 892 . 1 1 74 74 SER HB2 H 1 3.742 0.000 . 2 . . . A 74 SER HB2 . 17850 1 893 . 1 1 74 74 SER HB3 H 1 3.928 0.000 . 2 . . . A 74 SER HB3 . 17850 1 894 . 1 1 74 74 SER C C 13 174.717 0.000 . 1 . . . A 74 SER C . 17850 1 895 . 1 1 74 74 SER CA C 13 59.582 0.000 . 1 . . . A 74 SER CA . 17850 1 896 . 1 1 74 74 SER CB C 13 63.746 0.004 . 1 . . . A 74 SER CB . 17850 1 897 . 1 1 74 74 SER N N 15 112.626 0.000 . 1 . . . A 74 SER N . 17850 1 898 . 1 1 75 75 ARG H H 1 7.208 0.000 . 1 . . . A 75 ARG H . 17850 1 899 . 1 1 75 75 ARG HA H 1 4.147 0.000 . 1 . . . A 75 ARG HA . 17850 1 900 . 1 1 75 75 ARG HB2 H 1 1.828 0.000 . 2 . . . A 75 ARG HB2 . 17850 1 901 . 1 1 75 75 ARG HB3 H 1 1.893 0.000 . 2 . . . A 75 ARG HB3 . 17850 1 902 . 1 1 75 75 ARG HG2 H 1 1.628 0.000 . 2 . . . A 75 ARG HG2 . 17850 1 903 . 1 1 75 75 ARG HG3 H 1 1.842 0.000 . 2 . . . A 75 ARG HG3 . 17850 1 904 . 1 1 75 75 ARG HD2 H 1 3.149 0.000 . 2 . . . A 75 ARG HD2 . 17850 1 905 . 1 1 75 75 ARG HD3 H 1 3.197 0.000 . 2 . . . A 75 ARG HD3 . 17850 1 906 . 1 1 75 75 ARG HE H 1 7.215 0.000 . 1 . . . A 75 ARG HE . 17850 1 907 . 1 1 75 75 ARG CA C 13 57.775 0.000 . 1 . . . A 75 ARG CA . 17850 1 908 . 1 1 75 75 ARG CB C 13 30.666 0.002 . 1 . . . A 75 ARG CB . 17850 1 909 . 1 1 75 75 ARG CG C 13 27.346 0.001 . 1 . . . A 75 ARG CG . 17850 1 910 . 1 1 75 75 ARG CD C 13 43.945 0.003 . 1 . . . A 75 ARG CD . 17850 1 911 . 1 1 75 75 ARG CZ C 13 159.747 0.000 . 1 . . . A 75 ARG CZ . 17850 1 912 . 1 1 75 75 ARG N N 15 122.130 0.000 . 1 . . . A 75 ARG N . 17850 1 913 . 1 1 75 75 ARG NE N 15 84.395 0.000 . 1 . . . A 75 ARG NE . 17850 1 914 . 1 1 76 76 GLN H H 1 8.327 0.000 . 1 . . . A 76 GLN H . 17850 1 915 . 1 1 76 76 GLN HA H 1 4.284 0.000 . 1 . . . A 76 GLN HA . 17850 1 916 . 1 1 76 76 GLN HB2 H 1 1.975 0.000 . 2 . . . A 76 GLN HB2 . 17850 1 917 . 1 1 76 76 GLN HB3 H 1 2.067 0.000 . 2 . . . A 76 GLN HB3 . 17850 1 918 . 1 1 76 76 GLN HG2 H 1 2.335 0.000 . 2 . . . A 76 GLN HG2 . 17850 1 919 . 1 1 76 76 GLN HG3 H 1 2.379 0.000 . 2 . . . A 76 GLN HG3 . 17850 1 920 . 1 1 76 76 GLN HE21 H 1 7.457 0.000 . 2 . . . A 76 GLN HE21 . 17850 1 921 . 1 1 76 76 GLN HE22 H 1 6.708 0.000 . 2 . . . A 76 GLN HE22 . 17850 1 922 . 1 1 76 76 GLN CA C 13 56.193 0.000 . 1 . . . A 76 GLN CA . 17850 1 923 . 1 1 76 76 GLN CB C 13 29.057 0.003 . 1 . . . A 76 GLN CB . 17850 1 924 . 1 1 76 76 GLN CG C 13 33.954 0.004 . 1 . . . A 76 GLN CG . 17850 1 925 . 1 1 76 76 GLN N N 15 121.749 0.000 . 1 . . . A 76 GLN N . 17850 1 926 . 1 1 76 76 GLN NE2 N 15 111.238 0.007 . 1 . . . A 76 GLN NE2 . 17850 1 927 . 1 1 77 77 LEU H H 1 8.264 0.000 . 1 . . . A 77 LEU H . 17850 1 928 . 1 1 77 77 LEU HA H 1 4.439 0.000 . 1 . . . A 77 LEU HA . 17850 1 929 . 1 1 77 77 LEU HB2 H 1 1.634 0.000 . 2 . . . A 77 LEU HB2 . 17850 1 930 . 1 1 77 77 LEU HB3 H 1 1.747 0.000 . 2 . . . A 77 LEU HB3 . 17850 1 931 . 1 1 77 77 LEU HG H 1 1.704 0.000 . 1 . . . A 77 LEU HG . 17850 1 932 . 1 1 77 77 LEU HD11 H 1 0.856 0.000 . . . . . A 77 LEU HD11 . 17850 1 933 . 1 1 77 77 LEU HD12 H 1 0.856 0.000 . . . . . A 77 LEU HD12 . 17850 1 934 . 1 1 77 77 LEU HD13 H 1 0.856 0.000 . . . . . A 77 LEU HD13 . 17850 1 935 . 1 1 77 77 LEU HD21 H 1 0.898 0.000 . . . . . A 77 LEU HD21 . 17850 1 936 . 1 1 77 77 LEU HD22 H 1 0.898 0.000 . . . . . A 77 LEU HD22 . 17850 1 937 . 1 1 77 77 LEU HD23 H 1 0.898 0.000 . . . . . A 77 LEU HD23 . 17850 1 938 . 1 1 77 77 LEU C C 13 177.670 0.000 . 1 . . . A 77 LEU C . 17850 1 939 . 1 1 77 77 LEU CA C 13 55.283 0.000 . 1 . . . A 77 LEU CA . 17850 1 940 . 1 1 77 77 LEU CB C 13 42.780 0.007 . 1 . . . A 77 LEU CB . 17850 1 941 . 1 1 77 77 LEU CG C 13 27.072 0.000 . 1 . . . A 77 LEU CG . 17850 1 942 . 1 1 77 77 LEU CD1 C 13 23.573 0.000 . 2 . . . A 77 LEU CD1 . 17850 1 943 . 1 1 77 77 LEU CD2 C 13 25.516 0.000 . 2 . . . A 77 LEU CD2 . 17850 1 944 . 1 1 77 77 LEU N N 15 124.093 0.000 . 1 . . . A 77 LEU N . 17850 1 945 . 1 1 78 78 LYS H H 1 8.433 0.000 . 1 . . . A 78 LYS H . 17850 1 946 . 1 1 78 78 LYS HA H 1 4.407 0.000 . 1 . . . A 78 LYS HA . 17850 1 947 . 1 1 78 78 LYS HB2 H 1 1.844 0.000 . 2 . . . A 78 LYS HB2 . 17850 1 948 . 1 1 78 78 LYS HB3 H 1 1.953 0.000 . 2 . . . A 78 LYS HB3 . 17850 1 949 . 1 1 78 78 LYS HG2 H 1 1.475 0.000 . 2 . . . A 78 LYS HG2 . 17850 1 950 . 1 1 78 78 LYS HG3 H 1 1.521 0.000 . 2 . . . A 78 LYS HG3 . 17850 1 951 . 1 1 78 78 LYS HD2 H 1 1.725 0.000 . 2 . . . A 78 LYS HD2 . 17850 1 952 . 1 1 78 78 LYS HD3 H 1 1.725 0.000 . 2 . . . A 78 LYS HD3 . 17850 1 953 . 1 1 78 78 LYS HE2 H 1 3.025 0.000 . 2 . . . A 78 LYS HE2 . 17850 1 954 . 1 1 78 78 LYS HE3 H 1 3.025 0.000 . 2 . . . A 78 LYS HE3 . 17850 1 955 . 1 1 78 78 LYS CA C 13 56.185 0.000 . 1 . . . A 78 LYS CA . 17850 1 956 . 1 1 78 78 LYS CB C 13 33.277 0.003 . 1 . . . A 78 LYS CB . 17850 1 957 . 1 1 78 78 LYS CG C 13 24.951 0.004 . 1 . . . A 78 LYS CG . 17850 1 958 . 1 1 78 78 LYS CD C 13 29.039 0.000 . 1 . . . A 78 LYS CD . 17850 1 959 . 1 1 78 78 LYS CE C 13 42.156 0.000 . 1 . . . A 78 LYS CE . 17850 1 960 . 1 1 78 78 LYS N N 15 121.053 0.000 . 1 . . . A 78 LYS N . 17850 1 961 . 1 1 79 79 SER H H 1 8.448 0.000 . 1 . . . A 79 SER H . 17850 1 962 . 1 1 79 79 SER HA H 1 4.321 0.000 . 1 . . . A 79 SER HA . 17850 1 963 . 1 1 79 79 SER HB2 H 1 3.908 0.000 . 2 . . . A 79 SER HB2 . 17850 1 964 . 1 1 79 79 SER HB3 H 1 3.908 0.000 . 2 . . . A 79 SER HB3 . 17850 1 965 . 1 1 79 79 SER C C 13 175.145 0.000 . 1 . . . A 79 SER C . 17850 1 966 . 1 1 79 79 SER CA C 13 59.795 0.000 . 1 . . . A 79 SER CA . 17850 1 967 . 1 1 79 79 SER CB C 13 63.226 0.000 . 1 . . . A 79 SER CB . 17850 1 968 . 1 1 79 79 SER N N 15 116.423 0.000 . 1 . . . A 79 SER N . 17850 1 969 . 1 1 80 80 ASN H H 1 8.513 0.000 . 1 . . . A 80 ASN H . 17850 1 970 . 1 1 80 80 ASN HA H 1 4.699 0.000 . 1 . . . A 80 ASN HA . 17850 1 971 . 1 1 80 80 ASN HB2 H 1 2.837 0.000 . 2 . . . A 80 ASN HB2 . 17850 1 972 . 1 1 80 80 ASN HB3 H 1 2.837 0.000 . 2 . . . A 80 ASN HB3 . 17850 1 973 . 1 1 80 80 ASN HD21 H 1 7.659 0.003 . 2 . . . A 80 ASN HD21 . 17850 1 974 . 1 1 80 80 ASN HD22 H 1 6.929 0.000 . 2 . . . A 80 ASN HD22 . 17850 1 975 . 1 1 80 80 ASN C C 13 175.726 0.000 . 1 . . . A 80 ASN C . 17850 1 976 . 1 1 80 80 ASN CA C 13 54.413 0.000 . 1 . . . A 80 ASN CA . 17850 1 977 . 1 1 80 80 ASN CB C 13 38.588 0.000 . 1 . . . A 80 ASN CB . 17850 1 978 . 1 1 80 80 ASN CG C 13 177.052 0.013 . 1 . . . A 80 ASN CG . 17850 1 979 . 1 1 80 80 ASN N N 15 119.581 0.000 . 1 . . . A 80 ASN N . 17850 1 980 . 1 1 80 80 ASN ND2 N 15 112.928 0.009 . 1 . . . A 80 ASN ND2 . 17850 1 981 . 1 1 81 81 ASP H H 1 7.957 0.000 . 1 . . . A 81 ASP H . 17850 1 982 . 1 1 81 81 ASP HA H 1 4.630 0.000 . 1 . . . A 81 ASP HA . 17850 1 983 . 1 1 81 81 ASP HB2 H 1 2.729 0.000 . 2 . . . A 81 ASP HB2 . 17850 1 984 . 1 1 81 81 ASP HB3 H 1 2.729 0.000 . 2 . . . A 81 ASP HB3 . 17850 1 985 . 1 1 81 81 ASP C C 13 177.281 0.000 . 1 . . . A 81 ASP C . 17850 1 986 . 1 1 81 81 ASP CA C 13 55.593 0.000 . 1 . . . A 81 ASP CA . 17850 1 987 . 1 1 81 81 ASP CB C 13 41.606 0.000 . 1 . . . A 81 ASP CB . 17850 1 988 . 1 1 81 81 ASP N N 15 120.378 0.000 . 1 . . . A 81 ASP N . 17850 1 989 . 1 1 82 82 SER H H 1 8.469 0.000 . 1 . . . A 82 SER H . 17850 1 990 . 1 1 82 82 SER HA H 1 4.194 0.000 . 1 . . . A 82 SER HA . 17850 1 991 . 1 1 82 82 SER HB2 H 1 3.961 0.000 . 2 . . . A 82 SER HB2 . 17850 1 992 . 1 1 82 82 SER HB3 H 1 3.961 0.000 . 2 . . . A 82 SER HB3 . 17850 1 993 . 1 1 82 82 SER C C 13 176.745 0.000 . 1 . . . A 82 SER C . 17850 1 994 . 1 1 82 82 SER CA C 13 61.376 0.000 . 1 . . . A 82 SER CA . 17850 1 995 . 1 1 82 82 SER CB C 13 62.896 0.000 . 1 . . . A 82 SER CB . 17850 1 996 . 1 1 82 82 SER N N 15 117.046 0.000 . 1 . . . A 82 SER N . 17850 1 997 . 1 1 83 83 GLU H H 1 8.357 0.000 . 1 . . . A 83 GLU H . 17850 1 998 . 1 1 83 83 GLU HA H 1 4.100 0.000 . 1 . . . A 83 GLU HA . 17850 1 999 . 1 1 83 83 GLU HB2 H 1 2.125 0.000 . 2 . . . A 83 GLU HB2 . 17850 1 1000 . 1 1 83 83 GLU HB3 H 1 2.125 0.000 . 2 . . . A 83 GLU HB3 . 17850 1 1001 . 1 1 83 83 GLU HG2 H 1 2.261 0.000 . 2 . . . A 83 GLU HG2 . 17850 1 1002 . 1 1 83 83 GLU HG3 H 1 2.361 0.000 . 2 . . . A 83 GLU HG3 . 17850 1 1003 . 1 1 83 83 GLU C C 13 178.740 0.000 . 1 . . . A 83 GLU C . 17850 1 1004 . 1 1 83 83 GLU CA C 13 59.465 0.000 . 1 . . . A 83 GLU CA . 17850 1 1005 . 1 1 83 83 GLU CB C 13 29.404 0.000 . 1 . . . A 83 GLU CB . 17850 1 1006 . 1 1 83 83 GLU CG C 13 36.563 0.002 . 1 . . . A 83 GLU CG . 17850 1 1007 . 1 1 83 83 GLU N N 15 122.405 0.000 . 1 . . . A 83 GLU N . 17850 1 1008 . 1 1 84 84 GLN H H 1 7.988 0.000 . 1 . . . A 84 GLN H . 17850 1 1009 . 1 1 84 84 GLN HA H 1 4.109 0.000 . 1 . . . A 84 GLN HA . 17850 1 1010 . 1 1 84 84 GLN HB2 H 1 2.152 0.000 . 2 . . . A 84 GLN HB2 . 17850 1 1011 . 1 1 84 84 GLN HB3 H 1 2.152 0.000 . 2 . . . A 84 GLN HB3 . 17850 1 1012 . 1 1 84 84 GLN HG2 H 1 2.489 0.000 . 2 . . . A 84 GLN HG2 . 17850 1 1013 . 1 1 84 84 GLN HG3 H 1 2.489 0.000 . 2 . . . A 84 GLN HG3 . 17850 1 1014 . 1 1 84 84 GLN HE21 H 1 7.698 0.004 . 2 . . . A 84 GLN HE21 . 17850 1 1015 . 1 1 84 84 GLN HE22 H 1 6.816 0.002 . 2 . . . A 84 GLN HE22 . 17850 1 1016 . 1 1 84 84 GLN C C 13 178.533 0.000 . 1 . . . A 84 GLN C . 17850 1 1017 . 1 1 84 84 GLN CA C 13 58.467 0.000 . 1 . . . A 84 GLN CA . 17850 1 1018 . 1 1 84 84 GLN CB C 13 28.421 0.000 . 1 . . . A 84 GLN CB . 17850 1 1019 . 1 1 84 84 GLN CG C 13 33.988 0.000 . 1 . . . A 84 GLN CG . 17850 1 1020 . 1 1 84 84 GLN CD C 13 179.638 0.007 . 1 . . . A 84 GLN CD . 17850 1 1021 . 1 1 84 84 GLN N N 15 118.604 0.000 . 1 . . . A 84 GLN N . 17850 1 1022 . 1 1 84 84 GLN NE2 N 15 112.978 0.002 . 1 . . . A 84 GLN NE2 . 17850 1 1023 . 1 1 85 85 GLU H H 1 8.228 0.000 . 1 . . . A 85 GLU H . 17850 1 1024 . 1 1 85 85 GLU HA H 1 3.942 0.000 . 1 . . . A 85 GLU HA . 17850 1 1025 . 1 1 85 85 GLU HB2 H 1 2.024 0.000 . 2 . . . A 85 GLU HB2 . 17850 1 1026 . 1 1 85 85 GLU HB3 H 1 2.170 0.000 . 2 . . . A 85 GLU HB3 . 17850 1 1027 . 1 1 85 85 GLU HG2 H 1 2.116 0.000 . 2 . . . A 85 GLU HG2 . 17850 1 1028 . 1 1 85 85 GLU HG3 H 1 2.418 0.000 . 2 . . . A 85 GLU HG3 . 17850 1 1029 . 1 1 85 85 GLU C C 13 178.250 0.000 . 1 . . . A 85 GLU C . 17850 1 1030 . 1 1 85 85 GLU CA C 13 60.124 0.000 . 1 . . . A 85 GLU CA . 17850 1 1031 . 1 1 85 85 GLU CB C 13 29.572 0.011 . 1 . . . A 85 GLU CB . 17850 1 1032 . 1 1 85 85 GLU CG C 13 37.385 0.005 . 1 . . . A 85 GLU CG . 17850 1 1033 . 1 1 85 85 GLU N N 15 119.418 0.000 . 1 . . . A 85 GLU N . 17850 1 1034 . 1 1 86 86 LEU H H 1 7.797 0.000 . 1 . . . A 86 LEU H . 17850 1 1035 . 1 1 86 86 LEU HA H 1 4.159 0.000 . 1 . . . A 86 LEU HA . 17850 1 1036 . 1 1 86 86 LEU HB2 H 1 1.873 0.000 . 2 . . . A 86 LEU HB2 . 17850 1 1037 . 1 1 86 86 LEU HB3 H 1 1.873 0.000 . 2 . . . A 86 LEU HB3 . 17850 1 1038 . 1 1 86 86 LEU HG H 1 1.798 0.000 . 1 . . . A 86 LEU HG . 17850 1 1039 . 1 1 86 86 LEU HD11 H 1 0.941 0.000 . . . . . A 86 LEU HD11 . 17850 1 1040 . 1 1 86 86 LEU HD12 H 1 0.941 0.000 . . . . . A 86 LEU HD12 . 17850 1 1041 . 1 1 86 86 LEU HD13 H 1 0.941 0.000 . . . . . A 86 LEU HD13 . 17850 1 1042 . 1 1 86 86 LEU HD21 H 1 0.999 0.000 . . . . . A 86 LEU HD21 . 17850 1 1043 . 1 1 86 86 LEU HD22 H 1 0.999 0.000 . . . . . A 86 LEU HD22 . 17850 1 1044 . 1 1 86 86 LEU HD23 H 1 0.999 0.000 . . . . . A 86 LEU HD23 . 17850 1 1045 . 1 1 86 86 LEU C C 13 178.534 0.000 . 1 . . . A 86 LEU C . 17850 1 1046 . 1 1 86 86 LEU CA C 13 58.207 0.000 . 1 . . . A 86 LEU CA . 17850 1 1047 . 1 1 86 86 LEU CB C 13 41.626 0.000 . 1 . . . A 86 LEU CB . 17850 1 1048 . 1 1 86 86 LEU CG C 13 27.295 0.000 . 1 . . . A 86 LEU CG . 17850 1 1049 . 1 1 86 86 LEU CD1 C 13 25.109 0.000 . 2 . . . A 86 LEU CD1 . 17850 1 1050 . 1 1 86 86 LEU CD2 C 13 24.574 0.000 . 2 . . . A 86 LEU CD2 . 17850 1 1051 . 1 1 86 86 LEU N N 15 120.010 0.000 . 1 . . . A 86 LEU N . 17850 1 1052 . 1 1 87 87 LEU H H 1 7.825 0.000 . 1 . . . A 87 LEU H . 17850 1 1053 . 1 1 87 87 LEU HA H 1 4.104 0.000 . 1 . . . A 87 LEU HA . 17850 1 1054 . 1 1 87 87 LEU HB2 H 1 1.782 0.000 . 2 . . . A 87 LEU HB2 . 17850 1 1055 . 1 1 87 87 LEU HB3 H 1 1.782 0.000 . 2 . . . A 87 LEU HB3 . 17850 1 1056 . 1 1 87 87 LEU HG H 1 1.682 0.000 . 1 . . . A 87 LEU HG . 17850 1 1057 . 1 1 87 87 LEU HD11 H 1 0.908 0.000 . . . . . A 87 LEU HD11 . 17850 1 1058 . 1 1 87 87 LEU HD12 H 1 0.908 0.000 . . . . . A 87 LEU HD12 . 17850 1 1059 . 1 1 87 87 LEU HD13 H 1 0.908 0.000 . . . . . A 87 LEU HD13 . 17850 1 1060 . 1 1 87 87 LEU HD21 H 1 0.925 0.000 . . . . . A 87 LEU HD21 . 17850 1 1061 . 1 1 87 87 LEU HD22 H 1 0.925 0.000 . . . . . A 87 LEU HD22 . 17850 1 1062 . 1 1 87 87 LEU HD23 H 1 0.925 0.000 . . . . . A 87 LEU HD23 . 17850 1 1063 . 1 1 87 87 LEU C C 13 179.333 0.000 . 1 . . . A 87 LEU C . 17850 1 1064 . 1 1 87 87 LEU CA C 13 58.243 0.000 . 1 . . . A 87 LEU CA . 17850 1 1065 . 1 1 87 87 LEU CB C 13 41.766 0.000 . 1 . . . A 87 LEU CB . 17850 1 1066 . 1 1 87 87 LEU CG C 13 27.249 0.000 . 1 . . . A 87 LEU CG . 17850 1 1067 . 1 1 87 87 LEU CD1 C 13 24.471 0.000 . 2 . . . A 87 LEU CD1 . 17850 1 1068 . 1 1 87 87 LEU CD2 C 13 24.128 0.000 . 2 . . . A 87 LEU CD2 . 17850 1 1069 . 1 1 87 87 LEU N N 15 119.111 0.000 . 1 . . . A 87 LEU N . 17850 1 1070 . 1 1 88 88 GLU H H 1 8.265 0.000 . 1 . . . A 88 GLU H . 17850 1 1071 . 1 1 88 88 GLU HA H 1 4.101 0.000 . 1 . . . A 88 GLU HA . 17850 1 1072 . 1 1 88 88 GLU HB2 H 1 2.124 0.000 . 2 . . . A 88 GLU HB2 . 17850 1 1073 . 1 1 88 88 GLU HB3 H 1 2.124 0.000 . 2 . . . A 88 GLU HB3 . 17850 1 1074 . 1 1 88 88 GLU HG2 H 1 2.321 0.000 . 2 . . . A 88 GLU HG2 . 17850 1 1075 . 1 1 88 88 GLU HG3 H 1 2.584 0.000 . 2 . . . A 88 GLU HG3 . 17850 1 1076 . 1 1 88 88 GLU C C 13 179.461 0.000 . 1 . . . A 88 GLU C . 17850 1 1077 . 1 1 88 88 GLU CA C 13 59.016 0.000 . 1 . . . A 88 GLU CA . 17850 1 1078 . 1 1 88 88 GLU CB C 13 28.670 0.000 . 1 . . . A 88 GLU CB . 17850 1 1079 . 1 1 88 88 GLU CG C 13 35.959 0.004 . 1 . . . A 88 GLU CG . 17850 1 1080 . 1 1 88 88 GLU N N 15 117.514 0.000 . 1 . . . A 88 GLU N . 17850 1 1081 . 1 1 89 89 ALA H H 1 8.192 0.000 . 1 . . . A 89 ALA H . 17850 1 1082 . 1 1 89 89 ALA HA H 1 4.167 0.000 . 1 . . . A 89 ALA HA . 17850 1 1083 . 1 1 89 89 ALA HB1 H 1 1.739 0.000 . . . . . A 89 ALA HB1 . 17850 1 1084 . 1 1 89 89 ALA HB2 H 1 1.739 0.000 . . . . . A 89 ALA HB2 . 17850 1 1085 . 1 1 89 89 ALA HB3 H 1 1.739 0.000 . . . . . A 89 ALA HB3 . 17850 1 1086 . 1 1 89 89 ALA C C 13 178.362 0.000 . 1 . . . A 89 ALA C . 17850 1 1087 . 1 1 89 89 ALA CA C 13 55.077 0.000 . 1 . . . A 89 ALA CA . 17850 1 1088 . 1 1 89 89 ALA CB C 13 17.983 0.000 . 1 . . . A 89 ALA CB . 17850 1 1089 . 1 1 89 89 ALA N N 15 120.734 0.000 . 1 . . . A 89 ALA N . 17850 1 1090 . 1 1 90 90 PHE H H 1 8.685 0.000 . 1 . . . A 90 PHE H . 17850 1 1091 . 1 1 90 90 PHE HA H 1 3.199 0.000 . 1 . . . A 90 PHE HA . 17850 1 1092 . 1 1 90 90 PHE HB2 H 1 2.876 0.000 . 2 . . . A 90 PHE HB2 . 17850 1 1093 . 1 1 90 90 PHE HB3 H 1 3.278 0.000 . 2 . . . A 90 PHE HB3 . 17850 1 1094 . 1 1 90 90 PHE HD1 H 1 6.686 0.000 . 3 . . . A 90 PHE HD1 . 17850 1 1095 . 1 1 90 90 PHE HD2 H 1 6.686 0.000 . 3 . . . A 90 PHE HD2 . 17850 1 1096 . 1 1 90 90 PHE HE1 H 1 6.855 0.000 . 3 . . . A 90 PHE HE1 . 17850 1 1097 . 1 1 90 90 PHE HE2 H 1 6.855 0.000 . 3 . . . A 90 PHE HE2 . 17850 1 1098 . 1 1 90 90 PHE HZ H 1 7.115 0.000 . 1 . . . A 90 PHE HZ . 17850 1 1099 . 1 1 90 90 PHE C C 13 177.497 0.000 . 1 . . . A 90 PHE C . 17850 1 1100 . 1 1 90 90 PHE CA C 13 62.185 0.000 . 1 . . . A 90 PHE CA . 17850 1 1101 . 1 1 90 90 PHE CB C 13 39.820 0.012 . 1 . . . A 90 PHE CB . 17850 1 1102 . 1 1 90 90 PHE CD1 C 13 131.898 0.000 . 3 . . . A 90 PHE CD1 . 17850 1 1103 . 1 1 90 90 PHE CE1 C 13 130.596 0.000 . 3 . . . A 90 PHE CE1 . 17850 1 1104 . 1 1 90 90 PHE CZ C 13 129.567 0.000 . 1 . . . A 90 PHE CZ . 17850 1 1105 . 1 1 90 90 PHE N N 15 119.339 0.000 . 1 . . . A 90 PHE N . 17850 1 1106 . 1 1 91 91 LYS H H 1 8.112 0.000 . 1 . . . A 91 LYS H . 17850 1 1107 . 1 1 91 91 LYS HA H 1 3.948 0.000 . 1 . . . A 91 LYS HA . 17850 1 1108 . 1 1 91 91 LYS HB2 H 1 1.977 0.000 . 2 . . . A 91 LYS HB2 . 17850 1 1109 . 1 1 91 91 LYS HB3 H 1 1.977 0.000 . 2 . . . A 91 LYS HB3 . 17850 1 1110 . 1 1 91 91 LYS HG2 H 1 1.600 0.000 . 2 . . . A 91 LYS HG2 . 17850 1 1111 . 1 1 91 91 LYS HG3 H 1 1.865 0.000 . 2 . . . A 91 LYS HG3 . 17850 1 1112 . 1 1 91 91 LYS HD2 H 1 1.730 0.000 . 2 . . . A 91 LYS HD2 . 17850 1 1113 . 1 1 91 91 LYS HD3 H 1 1.730 0.000 . 2 . . . A 91 LYS HD3 . 17850 1 1114 . 1 1 91 91 LYS HE2 H 1 2.962 0.000 . 2 . . . A 91 LYS HE2 . 17850 1 1115 . 1 1 91 91 LYS HE3 H 1 2.962 0.000 . 2 . . . A 91 LYS HE3 . 17850 1 1116 . 1 1 91 91 LYS C C 13 178.236 0.000 . 1 . . . A 91 LYS C . 17850 1 1117 . 1 1 91 91 LYS CA C 13 59.514 0.000 . 1 . . . A 91 LYS CA . 17850 1 1118 . 1 1 91 91 LYS CB C 13 32.871 0.000 . 1 . . . A 91 LYS CB . 17850 1 1119 . 1 1 91 91 LYS CG C 13 25.699 0.007 . 1 . . . A 91 LYS CG . 17850 1 1120 . 1 1 91 91 LYS CD C 13 29.844 0.000 . 1 . . . A 91 LYS CD . 17850 1 1121 . 1 1 91 91 LYS CE C 13 42.060 0.000 . 1 . . . A 91 LYS CE . 17850 1 1122 . 1 1 91 91 LYS N N 15 116.189 0.000 . 1 . . . A 91 LYS N . 17850 1 1123 . 1 1 92 92 VAL H H 1 7.383 0.000 . 1 . . . A 92 VAL H . 17850 1 1124 . 1 1 92 92 VAL HA H 1 3.572 0.000 . 1 . . . A 92 VAL HA . 17850 1 1125 . 1 1 92 92 VAL HB H 1 2.256 0.000 . 1 . . . A 92 VAL HB . 17850 1 1126 . 1 1 92 92 VAL HG11 H 1 0.604 0.000 . . . . . A 92 VAL HG11 . 17850 1 1127 . 1 1 92 92 VAL HG12 H 1 0.604 0.000 . . . . . A 92 VAL HG12 . 17850 1 1128 . 1 1 92 92 VAL HG13 H 1 0.604 0.000 . . . . . A 92 VAL HG13 . 17850 1 1129 . 1 1 92 92 VAL HG21 H 1 1.093 0.000 . . . . . A 92 VAL HG21 . 17850 1 1130 . 1 1 92 92 VAL HG22 H 1 1.093 0.000 . . . . . A 92 VAL HG22 . 17850 1 1131 . 1 1 92 92 VAL HG23 H 1 1.093 0.000 . . . . . A 92 VAL HG23 . 17850 1 1132 . 1 1 92 92 VAL C C 13 176.545 0.000 . 1 . . . A 92 VAL C . 17850 1 1133 . 1 1 92 92 VAL CA C 13 65.572 0.000 . 1 . . . A 92 VAL CA . 17850 1 1134 . 1 1 92 92 VAL CB C 13 31.426 0.000 . 1 . . . A 92 VAL CB . 17850 1 1135 . 1 1 92 92 VAL CG1 C 13 21.535 0.000 . 2 . . . A 92 VAL CG1 . 17850 1 1136 . 1 1 92 92 VAL CG2 C 13 22.778 0.000 . 2 . . . A 92 VAL CG2 . 17850 1 1137 . 1 1 92 92 VAL N N 15 117.696 0.000 . 1 . . . A 92 VAL N . 17850 1 1138 . 1 1 93 93 PHE H H 1 7.116 0.000 . 1 . . . A 93 PHE H . 17850 1 1139 . 1 1 93 93 PHE HA H 1 4.227 0.000 . 1 . . . A 93 PHE HA . 17850 1 1140 . 1 1 93 93 PHE HB2 H 1 2.558 0.000 . 2 . . . A 93 PHE HB2 . 17850 1 1141 . 1 1 93 93 PHE HB3 H 1 2.624 0.000 . 2 . . . A 93 PHE HB3 . 17850 1 1142 . 1 1 93 93 PHE HD1 H 1 7.380 0.000 . 3 . . . A 93 PHE HD1 . 17850 1 1143 . 1 1 93 93 PHE HD2 H 1 7.380 0.000 . 3 . . . A 93 PHE HD2 . 17850 1 1144 . 1 1 93 93 PHE HE1 H 1 7.234 0.000 . 3 . . . A 93 PHE HE1 . 17850 1 1145 . 1 1 93 93 PHE HE2 H 1 7.234 0.000 . 3 . . . A 93 PHE HE2 . 17850 1 1146 . 1 1 93 93 PHE HZ H 1 7.115 0.000 . 1 . . . A 93 PHE HZ . 17850 1 1147 . 1 1 93 93 PHE C C 13 176.417 0.000 . 1 . . . A 93 PHE C . 17850 1 1148 . 1 1 93 93 PHE CA C 13 59.600 0.000 . 1 . . . A 93 PHE CA . 17850 1 1149 . 1 1 93 93 PHE CB C 13 41.196 0.004 . 1 . . . A 93 PHE CB . 17850 1 1150 . 1 1 93 93 PHE CD2 C 13 132.454 0.000 . 3 . . . A 93 PHE CD2 . 17850 1 1151 . 1 1 93 93 PHE CE2 C 13 130.354 0.000 . 3 . . . A 93 PHE CE2 . 17850 1 1152 . 1 1 93 93 PHE CZ C 13 128.868 0.000 . 1 . . . A 93 PHE CZ . 17850 1 1153 . 1 1 93 93 PHE N N 15 114.826 0.000 . 1 . . . A 93 PHE N . 17850 1 1154 . 1 1 94 94 ASP H H 1 7.849 0.000 . 1 . . . A 94 ASP H . 17850 1 1155 . 1 1 94 94 ASP HA H 1 4.531 0.000 . 1 . . . A 94 ASP HA . 17850 1 1156 . 1 1 94 94 ASP HB2 H 1 1.641 0.000 . 2 . . . A 94 ASP HB2 . 17850 1 1157 . 1 1 94 94 ASP HB3 H 1 2.486 0.000 . 2 . . . A 94 ASP HB3 . 17850 1 1158 . 1 1 94 94 ASP C C 13 177.305 0.000 . 1 . . . A 94 ASP C . 17850 1 1159 . 1 1 94 94 ASP CA C 13 52.471 0.000 . 1 . . . A 94 ASP CA . 17850 1 1160 . 1 1 94 94 ASP CB C 13 38.841 0.011 . 1 . . . A 94 ASP CB . 17850 1 1161 . 1 1 94 94 ASP N N 15 116.753 0.000 . 1 . . . A 94 ASP N . 17850 1 1162 . 1 1 95 95 LYS H H 1 7.755 0.000 . 1 . . . A 95 LYS H . 17850 1 1163 . 1 1 95 95 LYS HA H 1 4.003 0.000 . 1 . . . A 95 LYS HA . 17850 1 1164 . 1 1 95 95 LYS HB2 H 1 1.850 0.000 . 2 . . . A 95 LYS HB2 . 17850 1 1165 . 1 1 95 95 LYS HB3 H 1 1.850 0.000 . 2 . . . A 95 LYS HB3 . 17850 1 1166 . 1 1 95 95 LYS HG2 H 1 1.513 0.000 . 2 . . . A 95 LYS HG2 . 17850 1 1167 . 1 1 95 95 LYS HG3 H 1 1.513 0.000 . 2 . . . A 95 LYS HG3 . 17850 1 1168 . 1 1 95 95 LYS HD2 H 1 1.636 0.000 . 2 . . . A 95 LYS HD2 . 17850 1 1169 . 1 1 95 95 LYS HD3 H 1 1.636 0.000 . 2 . . . A 95 LYS HD3 . 17850 1 1170 . 1 1 95 95 LYS HE2 H 1 2.860 0.000 . 2 . . . A 95 LYS HE2 . 17850 1 1171 . 1 1 95 95 LYS HE3 H 1 2.948 0.000 . 2 . . . A 95 LYS HE3 . 17850 1 1172 . 1 1 95 95 LYS C C 13 178.261 0.000 . 1 . . . A 95 LYS C . 17850 1 1173 . 1 1 95 95 LYS CA C 13 58.077 0.000 . 1 . . . A 95 LYS CA . 17850 1 1174 . 1 1 95 95 LYS CB C 13 32.190 0.000 . 1 . . . A 95 LYS CB . 17850 1 1175 . 1 1 95 95 LYS CG C 13 23.900 0.000 . 1 . . . A 95 LYS CG . 17850 1 1176 . 1 1 95 95 LYS CD C 13 27.893 0.000 . 1 . . . A 95 LYS CD . 17850 1 1177 . 1 1 95 95 LYS CE C 13 41.908 0.005 . 1 . . . A 95 LYS CE . 17850 1 1178 . 1 1 95 95 LYS N N 15 125.185 0.000 . 1 . . . A 95 LYS N . 17850 1 1179 . 1 1 96 96 ASN H H 1 8.069 0.000 . 1 . . . A 96 ASN H . 17850 1 1180 . 1 1 96 96 ASN HA H 1 4.785 0.000 . 1 . . . A 96 ASN HA . 17850 1 1181 . 1 1 96 96 ASN HB2 H 1 2.870 0.000 . 2 . . . A 96 ASN HB2 . 17850 1 1182 . 1 1 96 96 ASN HB3 H 1 3.304 0.000 . 2 . . . A 96 ASN HB3 . 17850 1 1183 . 1 1 96 96 ASN HD21 H 1 7.947 0.001 . 2 . . . A 96 ASN HD21 . 17850 1 1184 . 1 1 96 96 ASN HD22 H 1 6.618 0.005 . 2 . . . A 96 ASN HD22 . 17850 1 1185 . 1 1 96 96 ASN C C 13 176.469 0.000 . 1 . . . A 96 ASN C . 17850 1 1186 . 1 1 96 96 ASN CA C 13 51.862 0.000 . 1 . . . A 96 ASN CA . 17850 1 1187 . 1 1 96 96 ASN CB C 13 37.078 0.005 . 1 . . . A 96 ASN CB . 17850 1 1188 . 1 1 96 96 ASN CG C 13 177.997 0.033 . 1 . . . A 96 ASN CG . 17850 1 1189 . 1 1 96 96 ASN N N 15 112.542 0.000 . 1 . . . A 96 ASN N . 17850 1 1190 . 1 1 96 96 ASN ND2 N 15 112.957 0.003 . 1 . . . A 96 ASN ND2 . 17850 1 1191 . 1 1 97 97 GLY H H 1 7.686 0.000 . 1 . . . A 97 GLY H . 17850 1 1192 . 1 1 97 97 GLY HA2 H 1 3.862 0.000 . 2 . . . A 97 GLY HA2 . 17850 1 1193 . 1 1 97 97 GLY HA3 H 1 3.862 0.000 . 2 . . . A 97 GLY HA3 . 17850 1 1194 . 1 1 97 97 GLY C C 13 175.032 0.000 . 1 . . . A 97 GLY C . 17850 1 1195 . 1 1 97 97 GLY CA C 13 47.708 0.000 . 1 . . . A 97 GLY CA . 17850 1 1196 . 1 1 97 97 GLY N N 15 109.956 0.000 . 1 . . . A 97 GLY N . 17850 1 1197 . 1 1 98 98 ASP H H 1 8.249 0.000 . 1 . . . A 98 ASP H . 17850 1 1198 . 1 1 98 98 ASP HA H 1 4.553 0.000 . 1 . . . A 98 ASP HA . 17850 1 1199 . 1 1 98 98 ASP HB2 H 1 2.416 0.000 . 2 . . . A 98 ASP HB2 . 17850 1 1200 . 1 1 98 98 ASP HB3 H 1 3.102 0.000 . 2 . . . A 98 ASP HB3 . 17850 1 1201 . 1 1 98 98 ASP C C 13 177.274 0.000 . 1 . . . A 98 ASP C . 17850 1 1202 . 1 1 98 98 ASP CA C 13 53.334 0.000 . 1 . . . A 98 ASP CA . 17850 1 1203 . 1 1 98 98 ASP CB C 13 40.441 0.001 . 1 . . . A 98 ASP CB . 17850 1 1204 . 1 1 98 98 ASP N N 15 119.383 0.000 . 1 . . . A 98 ASP N . 17850 1 1205 . 1 1 99 99 GLY H H 1 10.390 0.000 . 1 . . . A 99 GLY H . 17850 1 1206 . 1 1 99 99 GLY HA2 H 1 3.651 0.000 . . . . . A 99 GLY HA2 . 17850 1 1207 . 1 1 99 99 GLY HA3 H 1 4.245 0.000 . 2 . . . A 99 GLY HA3 . 17850 1 1208 . 1 1 99 99 GLY C C 13 173.128 0.000 . 1 . . . A 99 GLY C . 17850 1 1209 . 1 1 99 99 GLY CA C 13 45.729 0.006 . 1 . . . A 99 GLY CA . 17850 1 1210 . 1 1 99 99 GLY N N 15 112.398 0.000 . 1 . . . A 99 GLY N . 17850 1 1211 . 1 1 100 100 LEU H H 1 7.987 0.000 . 1 . . . A 100 LEU H . 17850 1 1212 . 1 1 100 100 LEU HA H 1 5.265 0.000 . 1 . . . A 100 LEU HA . 17850 1 1213 . 1 1 100 100 LEU HB2 H 1 1.047 0.000 . 2 . . . A 100 LEU HB2 . 17850 1 1214 . 1 1 100 100 LEU HB3 H 1 1.652 0.000 . 2 . . . A 100 LEU HB3 . 17850 1 1215 . 1 1 100 100 LEU HG H 1 1.392 0.000 . 1 . . . A 100 LEU HG . 17850 1 1216 . 1 1 100 100 LEU HD11 H 1 0.763 0.000 . . . . . A 100 LEU HD11 . 17850 1 1217 . 1 1 100 100 LEU HD12 H 1 0.763 0.000 . . . . . A 100 LEU HD12 . 17850 1 1218 . 1 1 100 100 LEU HD13 H 1 0.763 0.000 . . . . . A 100 LEU HD13 . 17850 1 1219 . 1 1 100 100 LEU HD21 H 1 0.798 0.000 . . . . . A 100 LEU HD21 . 17850 1 1220 . 1 1 100 100 LEU HD22 H 1 0.798 0.000 . . . . . A 100 LEU HD22 . 17850 1 1221 . 1 1 100 100 LEU HD23 H 1 0.798 0.000 . . . . . A 100 LEU HD23 . 17850 1 1222 . 1 1 100 100 LEU C C 13 176.427 0.000 . 1 . . . A 100 LEU C . 17850 1 1223 . 1 1 100 100 LEU CA C 13 52.776 0.000 . 1 . . . A 100 LEU CA . 17850 1 1224 . 1 1 100 100 LEU CB C 13 46.201 0.005 . 1 . . . A 100 LEU CB . 17850 1 1225 . 1 1 100 100 LEU CG C 13 26.516 0.000 . 1 . . . A 100 LEU CG . 17850 1 1226 . 1 1 100 100 LEU CD1 C 13 25.465 0.000 . 2 . . . A 100 LEU CD1 . 17850 1 1227 . 1 1 100 100 LEU CD2 C 13 23.349 0.000 . 2 . . . A 100 LEU CD2 . 17850 1 1228 . 1 1 100 100 LEU N N 15 120.803 0.000 . 1 . . . A 100 LEU N . 17850 1 1229 . 1 1 101 101 ILE H H 1 9.698 0.000 . 1 . . . A 101 ILE H . 17850 1 1230 . 1 1 101 101 ILE HA H 1 4.722 0.000 . 1 . . . A 101 ILE HA . 17850 1 1231 . 1 1 101 101 ILE HB H 1 1.505 0.000 . 1 . . . A 101 ILE HB . 17850 1 1232 . 1 1 101 101 ILE HG12 H 1 0.003 0.000 . 2 . . . A 101 ILE HG12 . 17850 1 1233 . 1 1 101 101 ILE HG13 H 1 0.773 0.000 . 2 . . . A 101 ILE HG13 . 17850 1 1234 . 1 1 101 101 ILE HG21 H 1 0.812 0.000 . . . . . A 101 ILE HG21 . 17850 1 1235 . 1 1 101 101 ILE HG22 H 1 0.812 0.000 . . . . . A 101 ILE HG22 . 17850 1 1236 . 1 1 101 101 ILE HG23 H 1 0.812 0.000 . . . . . A 101 ILE HG23 . 17850 1 1237 . 1 1 101 101 ILE HD11 H 1 -0.157 0.000 . . . . . A 101 ILE HD11 . 17850 1 1238 . 1 1 101 101 ILE HD12 H 1 -0.157 0.000 . . . . . A 101 ILE HD12 . 17850 1 1239 . 1 1 101 101 ILE HD13 H 1 -0.157 0.000 . . . . . A 101 ILE HD13 . 17850 1 1240 . 1 1 101 101 ILE C C 13 175.432 0.000 . 1 . . . A 101 ILE C . 17850 1 1241 . 1 1 101 101 ILE CA C 13 60.249 0.000 . 1 . . . A 101 ILE CA . 17850 1 1242 . 1 1 101 101 ILE CB C 13 39.064 0.000 . 1 . . . A 101 ILE CB . 17850 1 1243 . 1 1 101 101 ILE CG1 C 13 26.844 0.006 . 1 . . . A 101 ILE CG1 . 17850 1 1244 . 1 1 101 101 ILE CG2 C 13 18.062 0.000 . 1 . . . A 101 ILE CG2 . 17850 1 1245 . 1 1 101 101 ILE CD1 C 13 16.065 0.000 . 1 . . . A 101 ILE CD1 . 17850 1 1246 . 1 1 101 101 ILE N N 15 125.286 0.000 . 1 . . . A 101 ILE N . 17850 1 1247 . 1 1 102 102 SER H H 1 9.095 0.000 . 1 . . . A 102 SER H . 17850 1 1248 . 1 1 102 102 SER HA H 1 4.969 0.000 . 1 . . . A 102 SER HA . 17850 1 1249 . 1 1 102 102 SER HB2 H 1 4.031 0.000 . 2 . . . A 102 SER HB2 . 17850 1 1250 . 1 1 102 102 SER HB3 H 1 4.425 0.000 . 2 . . . A 102 SER HB3 . 17850 1 1251 . 1 1 102 102 SER HG H 1 5.794 0.000 . 1 . . . A 102 SER HG . 17850 1 1252 . 1 1 102 102 SER C C 13 175.298 0.000 . 1 . . . A 102 SER C . 17850 1 1253 . 1 1 102 102 SER CA C 13 55.994 0.000 . 1 . . . A 102 SER CA . 17850 1 1254 . 1 1 102 102 SER CB C 13 66.456 0.004 . 1 . . . A 102 SER CB . 17850 1 1255 . 1 1 102 102 SER N N 15 123.133 0.000 . 1 . . . A 102 SER N . 17850 1 1256 . 1 1 103 103 ALA H H 1 8.691 0.000 . 1 . . . A 103 ALA H . 17850 1 1257 . 1 1 103 103 ALA HA H 1 3.889 0.000 . 1 . . . A 103 ALA HA . 17850 1 1258 . 1 1 103 103 ALA HB1 H 1 1.479 0.000 . . . . . A 103 ALA HB1 . 17850 1 1259 . 1 1 103 103 ALA HB2 H 1 1.479 0.000 . . . . . A 103 ALA HB2 . 17850 1 1260 . 1 1 103 103 ALA HB3 H 1 1.479 0.000 . . . . . A 103 ALA HB3 . 17850 1 1261 . 1 1 103 103 ALA C C 13 179.237 0.000 . 1 . . . A 103 ALA C . 17850 1 1262 . 1 1 103 103 ALA CA C 13 56.082 0.000 . 1 . . . A 103 ALA CA . 17850 1 1263 . 1 1 103 103 ALA CB C 13 18.057 0.000 . 1 . . . A 103 ALA CB . 17850 1 1264 . 1 1 103 103 ALA N N 15 122.886 0.000 . 1 . . . A 103 ALA N . 17850 1 1265 . 1 1 104 104 ALA H H 1 8.392 0.000 . 1 . . . A 104 ALA H . 17850 1 1266 . 1 1 104 104 ALA HA H 1 4.074 0.000 . 1 . . . A 104 ALA HA . 17850 1 1267 . 1 1 104 104 ALA HB1 H 1 1.433 0.000 . . . . . A 104 ALA HB1 . 17850 1 1268 . 1 1 104 104 ALA HB2 H 1 1.433 0.000 . . . . . A 104 ALA HB2 . 17850 1 1269 . 1 1 104 104 ALA HB3 H 1 1.433 0.000 . . . . . A 104 ALA HB3 . 17850 1 1270 . 1 1 104 104 ALA C C 13 181.451 0.000 . 1 . . . A 104 ALA C . 17850 1 1271 . 1 1 104 104 ALA CA C 13 55.285 0.000 . 1 . . . A 104 ALA CA . 17850 1 1272 . 1 1 104 104 ALA CB C 13 18.435 0.000 . 1 . . . A 104 ALA CB . 17850 1 1273 . 1 1 104 104 ALA N N 15 118.317 0.000 . 1 . . . A 104 ALA N . 17850 1 1274 . 1 1 105 105 GLU H H 1 7.879 0.000 . 1 . . . A 105 GLU H . 17850 1 1275 . 1 1 105 105 GLU HA H 1 4.060 0.000 . 1 . . . A 105 GLU HA . 17850 1 1276 . 1 1 105 105 GLU HB2 H 1 2.546 0.000 . 2 . . . A 105 GLU HB2 . 17850 1 1277 . 1 1 105 105 GLU HB3 H 1 2.687 0.000 . 2 . . . A 105 GLU HB3 . 17850 1 1278 . 1 1 105 105 GLU HG2 H 1 2.315 0.000 . 2 . . . A 105 GLU HG2 . 17850 1 1279 . 1 1 105 105 GLU HG3 H 1 2.552 0.000 . 2 . . . A 105 GLU HG3 . 17850 1 1280 . 1 1 105 105 GLU C C 13 179.223 0.000 . 1 . . . A 105 GLU C . 17850 1 1281 . 1 1 105 105 GLU CA C 13 59.463 0.000 . 1 . . . A 105 GLU CA . 17850 1 1282 . 1 1 105 105 GLU CB C 13 29.151 0.004 . 1 . . . A 105 GLU CB . 17850 1 1283 . 1 1 105 105 GLU CG C 13 37.841 0.002 . 1 . . . A 105 GLU CG . 17850 1 1284 . 1 1 105 105 GLU N N 15 120.398 0.000 . 1 . . . A 105 GLU N . 17850 1 1285 . 1 1 106 106 LEU H H 1 8.479 0.000 . 1 . . . A 106 LEU H . 17850 1 1286 . 1 1 106 106 LEU HA H 1 4.163 0.000 . 1 . . . A 106 LEU HA . 17850 1 1287 . 1 1 106 106 LEU HB2 H 1 1.504 0.000 . 2 . . . A 106 LEU HB2 . 17850 1 1288 . 1 1 106 106 LEU HB3 H 1 1.901 0.000 . 2 . . . A 106 LEU HB3 . 17850 1 1289 . 1 1 106 106 LEU HG H 1 1.593 0.000 . 1 . . . A 106 LEU HG . 17850 1 1290 . 1 1 106 106 LEU HD11 H 1 0.748 0.000 . . . . . A 106 LEU HD11 . 17850 1 1291 . 1 1 106 106 LEU HD12 H 1 0.748 0.000 . . . . . A 106 LEU HD12 . 17850 1 1292 . 1 1 106 106 LEU HD13 H 1 0.748 0.000 . . . . . A 106 LEU HD13 . 17850 1 1293 . 1 1 106 106 LEU HD21 H 1 0.798 0.000 . . . . . A 106 LEU HD21 . 17850 1 1294 . 1 1 106 106 LEU HD22 H 1 0.798 0.000 . . . . . A 106 LEU HD22 . 17850 1 1295 . 1 1 106 106 LEU HD23 H 1 0.798 0.000 . . . . . A 106 LEU HD23 . 17850 1 1296 . 1 1 106 106 LEU C C 13 178.503 0.000 . 1 . . . A 106 LEU C . 17850 1 1297 . 1 1 106 106 LEU CA C 13 58.689 0.000 . 1 . . . A 106 LEU CA . 17850 1 1298 . 1 1 106 106 LEU CB C 13 42.287 0.003 . 1 . . . A 106 LEU CB . 17850 1 1299 . 1 1 106 106 LEU CG C 13 26.897 0.000 . 1 . . . A 106 LEU CG . 17850 1 1300 . 1 1 106 106 LEU CD1 C 13 24.029 0.000 . 2 . . . A 106 LEU CD1 . 17850 1 1301 . 1 1 106 106 LEU CD2 C 13 26.160 0.000 . 2 . . . A 106 LEU CD2 . 17850 1 1302 . 1 1 106 106 LEU N N 15 120.023 0.000 . 1 . . . A 106 LEU N . 17850 1 1303 . 1 1 107 107 LYS H H 1 8.758 0.000 . 1 . . . A 107 LYS H . 17850 1 1304 . 1 1 107 107 LYS HA H 1 3.818 0.000 . 1 . . . A 107 LYS HA . 17850 1 1305 . 1 1 107 107 LYS HB2 H 1 1.936 0.000 . 2 . . . A 107 LYS HB2 . 17850 1 1306 . 1 1 107 107 LYS HB3 H 1 2.007 0.000 . 2 . . . A 107 LYS HB3 . 17850 1 1307 . 1 1 107 107 LYS HG2 H 1 1.440 0.000 . 2 . . . A 107 LYS HG2 . 17850 1 1308 . 1 1 107 107 LYS HG3 H 1 1.470 0.000 . 2 . . . A 107 LYS HG3 . 17850 1 1309 . 1 1 107 107 LYS HD2 H 1 1.676 0.000 . 2 . . . A 107 LYS HD2 . 17850 1 1310 . 1 1 107 107 LYS HD3 H 1 1.676 0.000 . 2 . . . A 107 LYS HD3 . 17850 1 1311 . 1 1 107 107 LYS HE2 H 1 2.882 0.000 . 2 . . . A 107 LYS HE2 . 17850 1 1312 . 1 1 107 107 LYS HE3 H 1 2.882 0.000 . 2 . . . A 107 LYS HE3 . 17850 1 1313 . 1 1 107 107 LYS C C 13 179.039 0.000 . 1 . . . A 107 LYS C . 17850 1 1314 . 1 1 107 107 LYS CA C 13 60.308 0.000 . 1 . . . A 107 LYS CA . 17850 1 1315 . 1 1 107 107 LYS CB C 13 32.890 0.003 . 1 . . . A 107 LYS CB . 17850 1 1316 . 1 1 107 107 LYS CG C 13 26.264 0.001 . 1 . . . A 107 LYS CG . 17850 1 1317 . 1 1 107 107 LYS CD C 13 29.565 0.000 . 1 . . . A 107 LYS CD . 17850 1 1318 . 1 1 107 107 LYS CE C 13 42.284 0.000 . 1 . . . A 107 LYS CE . 17850 1 1319 . 1 1 107 107 LYS N N 15 117.064 0.000 . 1 . . . A 107 LYS N . 17850 1 1320 . 1 1 108 108 HIS H H 1 8.287 0.000 . 1 . . . A 108 HIS H . 17850 1 1321 . 1 1 108 108 HIS HA H 1 4.316 0.000 . 1 . . . A 108 HIS HA . 17850 1 1322 . 1 1 108 108 HIS HB2 H 1 3.322 0.000 . 2 . . . A 108 HIS HB2 . 17850 1 1323 . 1 1 108 108 HIS HB3 H 1 3.322 0.000 . 2 . . . A 108 HIS HB3 . 17850 1 1324 . 1 1 108 108 HIS HD2 H 1 6.906 0.000 . 1 . . . A 108 HIS HD2 . 17850 1 1325 . 1 1 108 108 HIS HE1 H 1 7.851 0.000 . 1 . . . A 108 HIS HE1 . 17850 1 1326 . 1 1 108 108 HIS C C 13 178.394 0.000 . 1 . . . A 108 HIS C . 17850 1 1327 . 1 1 108 108 HIS CA C 13 60.187 0.000 . 1 . . . A 108 HIS CA . 17850 1 1328 . 1 1 108 108 HIS CB C 13 30.492 0.000 . 1 . . . A 108 HIS CB . 17850 1 1329 . 1 1 108 108 HIS CD2 C 13 120.029 0.000 . 1 . . . A 108 HIS CD2 . 17850 1 1330 . 1 1 108 108 HIS CE1 C 13 138.723 0.000 . 1 . . . A 108 HIS CE1 . 17850 1 1331 . 1 1 108 108 HIS N N 15 119.125 0.000 . 1 . . . A 108 HIS N . 17850 1 1332 . 1 1 109 109 VAL H H 1 7.915 0.000 . 1 . . . A 109 VAL H . 17850 1 1333 . 1 1 109 109 VAL HA H 1 3.485 0.000 . 1 . . . A 109 VAL HA . 17850 1 1334 . 1 1 109 109 VAL HB H 1 1.943 0.000 . 1 . . . A 109 VAL HB . 17850 1 1335 . 1 1 109 109 VAL HG11 H 1 0.261 0.000 . . . . . A 109 VAL HG11 . 17850 1 1336 . 1 1 109 109 VAL HG12 H 1 0.261 0.000 . . . . . A 109 VAL HG12 . 17850 1 1337 . 1 1 109 109 VAL HG13 H 1 0.261 0.000 . . . . . A 109 VAL HG13 . 17850 1 1338 . 1 1 109 109 VAL HG21 H 1 0.947 0.000 . . . . . A 109 VAL HG21 . 17850 1 1339 . 1 1 109 109 VAL HG22 H 1 0.947 0.000 . . . . . A 109 VAL HG22 . 17850 1 1340 . 1 1 109 109 VAL HG23 H 1 0.947 0.000 . . . . . A 109 VAL HG23 . 17850 1 1341 . 1 1 109 109 VAL C C 13 178.246 0.000 . 1 . . . A 109 VAL C . 17850 1 1342 . 1 1 109 109 VAL CA C 13 66.710 0.000 . 1 . . . A 109 VAL CA . 17850 1 1343 . 1 1 109 109 VAL CB C 13 31.572 0.000 . 1 . . . A 109 VAL CB . 17850 1 1344 . 1 1 109 109 VAL CG1 C 13 21.021 0.000 . 2 . . . A 109 VAL CG1 . 17850 1 1345 . 1 1 109 109 VAL CG2 C 13 23.370 0.000 . 2 . . . A 109 VAL CG2 . 17850 1 1346 . 1 1 109 109 VAL N N 15 119.525 0.000 . 1 . . . A 109 VAL N . 17850 1 1347 . 1 1 110 110 LEU H H 1 8.269 0.000 . 1 . . . A 110 LEU H . 17850 1 1348 . 1 1 110 110 LEU HA H 1 3.979 0.000 . 1 . . . A 110 LEU HA . 17850 1 1349 . 1 1 110 110 LEU HB2 H 1 1.416 0.000 . 2 . . . A 110 LEU HB2 . 17850 1 1350 . 1 1 110 110 LEU HB3 H 1 1.974 0.000 . 2 . . . A 110 LEU HB3 . 17850 1 1351 . 1 1 110 110 LEU HG H 1 2.058 0.000 . 1 . . . A 110 LEU HG . 17850 1 1352 . 1 1 110 110 LEU HD11 H 1 0.856 0.000 . . . . . A 110 LEU HD11 . 17850 1 1353 . 1 1 110 110 LEU HD12 H 1 0.856 0.000 . . . . . A 110 LEU HD12 . 17850 1 1354 . 1 1 110 110 LEU HD13 H 1 0.856 0.000 . . . . . A 110 LEU HD13 . 17850 1 1355 . 1 1 110 110 LEU HD21 H 1 0.843 0.000 . . . . . A 110 LEU HD21 . 17850 1 1356 . 1 1 110 110 LEU HD22 H 1 0.843 0.000 . . . . . A 110 LEU HD22 . 17850 1 1357 . 1 1 110 110 LEU HD23 H 1 0.843 0.000 . . . . . A 110 LEU HD23 . 17850 1 1358 . 1 1 110 110 LEU C C 13 178.968 0.000 . 1 . . . A 110 LEU C . 17850 1 1359 . 1 1 110 110 LEU CA C 13 58.218 0.000 . 1 . . . A 110 LEU CA . 17850 1 1360 . 1 1 110 110 LEU CB C 13 40.528 0.005 . 1 . . . A 110 LEU CB . 17850 1 1361 . 1 1 110 110 LEU CG C 13 27.430 0.000 . 1 . . . A 110 LEU CG . 17850 1 1362 . 1 1 110 110 LEU CD1 C 13 22.889 0.000 . 2 . . . A 110 LEU CD1 . 17850 1 1363 . 1 1 110 110 LEU CD2 C 13 26.446 0.000 . 2 . . . A 110 LEU CD2 . 17850 1 1364 . 1 1 110 110 LEU N N 15 117.403 0.000 . 1 . . . A 110 LEU N . 17850 1 1365 . 1 1 111 111 THR H H 1 8.441 0.000 . 1 . . . A 111 THR H . 17850 1 1366 . 1 1 111 111 THR HA H 1 4.184 0.000 . 1 . . . A 111 THR HA . 17850 1 1367 . 1 1 111 111 THR HB H 1 4.277 0.000 . 1 . . . A 111 THR HB . 17850 1 1368 . 1 1 111 111 THR HG1 H 1 5.176 0.000 . 1 . . . A 111 THR HG1 . 17850 1 1369 . 1 1 111 111 THR HG21 H 1 1.282 0.000 . . . . . A 111 THR HG21 . 17850 1 1370 . 1 1 111 111 THR HG22 H 1 1.282 0.000 . . . . . A 111 THR HG22 . 17850 1 1371 . 1 1 111 111 THR HG23 H 1 1.282 0.000 . . . . . A 111 THR HG23 . 17850 1 1372 . 1 1 111 111 THR C C 13 178.534 0.000 . 1 . . . A 111 THR C . 17850 1 1373 . 1 1 111 111 THR CA C 13 66.252 0.000 . 1 . . . A 111 THR CA . 17850 1 1374 . 1 1 111 111 THR CB C 13 68.851 0.000 . 1 . . . A 111 THR CB . 17850 1 1375 . 1 1 111 111 THR CG2 C 13 21.670 0.000 . 1 . . . A 111 THR CG2 . 17850 1 1376 . 1 1 111 111 THR N N 15 114.122 0.000 . 1 . . . A 111 THR N . 17850 1 1377 . 1 1 112 112 SER H H 1 7.910 0.000 . 1 . . . A 112 SER H . 17850 1 1378 . 1 1 112 112 SER HA H 1 4.215 0.000 . 1 . . . A 112 SER HA . 17850 1 1379 . 1 1 112 112 SER HB2 H 1 3.815 0.000 . 2 . . . A 112 SER HB2 . 17850 1 1380 . 1 1 112 112 SER HB3 H 1 4.002 0.000 . 2 . . . A 112 SER HB3 . 17850 1 1381 . 1 1 112 112 SER C C 13 175.523 0.000 . 1 . . . A 112 SER C . 17850 1 1382 . 1 1 112 112 SER CA C 13 62.197 0.000 . 1 . . . A 112 SER CA . 17850 1 1383 . 1 1 112 112 SER CB C 13 62.936 0.001 . 1 . . . A 112 SER CB . 17850 1 1384 . 1 1 112 112 SER N N 15 119.981 0.000 . 1 . . . A 112 SER N . 17850 1 1385 . 1 1 113 113 ILE H H 1 7.473 0.000 . 1 . . . A 113 ILE H . 17850 1 1386 . 1 1 113 113 ILE HA H 1 4.484 0.000 . 1 . . . A 113 ILE HA . 17850 1 1387 . 1 1 113 113 ILE HB H 1 2.176 0.000 . 1 . . . A 113 ILE HB . 17850 1 1388 . 1 1 113 113 ILE HG12 H 1 1.484 0.000 . 2 . . . A 113 ILE HG12 . 17850 1 1389 . 1 1 113 113 ILE HG13 H 1 1.579 0.000 . 2 . . . A 113 ILE HG13 . 17850 1 1390 . 1 1 113 113 ILE HG21 H 1 0.814 0.000 . . . . . A 113 ILE HG21 . 17850 1 1391 . 1 1 113 113 ILE HG22 H 1 0.814 0.000 . . . . . A 113 ILE HG22 . 17850 1 1392 . 1 1 113 113 ILE HG23 H 1 0.814 0.000 . . . . . A 113 ILE HG23 . 17850 1 1393 . 1 1 113 113 ILE HD11 H 1 0.779 0.000 . . . . . A 113 ILE HD11 . 17850 1 1394 . 1 1 113 113 ILE HD12 H 1 0.779 0.000 . . . . . A 113 ILE HD12 . 17850 1 1395 . 1 1 113 113 ILE HD13 H 1 0.779 0.000 . . . . . A 113 ILE HD13 . 17850 1 1396 . 1 1 113 113 ILE C C 13 175.636 0.000 . 1 . . . A 113 ILE C . 17850 1 1397 . 1 1 113 113 ILE CA C 13 60.755 0.000 . 1 . . . A 113 ILE CA . 17850 1 1398 . 1 1 113 113 ILE CB C 13 37.757 0.000 . 1 . . . A 113 ILE CB . 17850 1 1399 . 1 1 113 113 ILE CG1 C 13 26.748 0.003 . 1 . . . A 113 ILE CG1 . 17850 1 1400 . 1 1 113 113 ILE CG2 C 13 17.282 0.000 . 1 . . . A 113 ILE CG2 . 17850 1 1401 . 1 1 113 113 ILE CD1 C 13 14.495 0.000 . 1 . . . A 113 ILE CD1 . 17850 1 1402 . 1 1 113 113 ILE N N 15 112.726 0.000 . 1 . . . A 113 ILE N . 17850 1 1403 . 1 1 114 114 GLY H H 1 7.652 0.000 . 1 . . . A 114 GLY H . 17850 1 1404 . 1 1 114 114 GLY HA2 H 1 3.705 0.000 . . . . . A 114 GLY HA2 . 17850 1 1405 . 1 1 114 114 GLY HA3 H 1 4.225 0.000 . 2 . . . A 114 GLY HA3 . 17850 1 1406 . 1 1 114 114 GLY C C 13 174.583 0.000 . 1 . . . A 114 GLY C . 17850 1 1407 . 1 1 114 114 GLY CA C 13 45.850 0.004 . 1 . . . A 114 GLY CA . 17850 1 1408 . 1 1 114 114 GLY N N 15 108.354 0.000 . 1 . . . A 114 GLY N . 17850 1 1409 . 1 1 115 115 GLU H H 1 8.045 0.000 . 1 . . . A 115 GLU H . 17850 1 1410 . 1 1 115 115 GLU HA H 1 4.305 0.000 . 1 . . . A 115 GLU HA . 17850 1 1411 . 1 1 115 115 GLU HB2 H 1 1.644 0.000 . 2 . . . A 115 GLU HB2 . 17850 1 1412 . 1 1 115 115 GLU HB3 H 1 1.926 0.000 . 2 . . . A 115 GLU HB3 . 17850 1 1413 . 1 1 115 115 GLU HG2 H 1 2.018 0.000 . 2 . . . A 115 GLU HG2 . 17850 1 1414 . 1 1 115 115 GLU HG3 H 1 2.018 0.000 . 2 . . . A 115 GLU HG3 . 17850 1 1415 . 1 1 115 115 GLU C C 13 175.444 0.000 . 1 . . . A 115 GLU C . 17850 1 1416 . 1 1 115 115 GLU CA C 13 55.132 0.000 . 1 . . . A 115 GLU CA . 17850 1 1417 . 1 1 115 115 GLU CB C 13 30.250 0.001 . 1 . . . A 115 GLU CB . 17850 1 1418 . 1 1 115 115 GLU CG C 13 36.265 0.000 . 1 . . . A 115 GLU CG . 17850 1 1419 . 1 1 115 115 GLU N N 15 120.283 0.000 . 1 . . . A 115 GLU N . 17850 1 1420 . 1 1 116 116 LYS H H 1 8.571 0.000 . 1 . . . A 116 LYS H . 17850 1 1421 . 1 1 116 116 LYS HA H 1 4.422 0.000 . 1 . . . A 116 LYS HA . 17850 1 1422 . 1 1 116 116 LYS HB2 H 1 1.677 0.000 . 2 . . . A 116 LYS HB2 . 17850 1 1423 . 1 1 116 116 LYS HB3 H 1 1.771 0.000 . 2 . . . A 116 LYS HB3 . 17850 1 1424 . 1 1 116 116 LYS HG2 H 1 1.300 0.000 . 2 . . . A 116 LYS HG2 . 17850 1 1425 . 1 1 116 116 LYS HG3 H 1 1.380 0.000 . 2 . . . A 116 LYS HG3 . 17850 1 1426 . 1 1 116 116 LYS HD2 H 1 1.652 0.000 . 2 . . . A 116 LYS HD2 . 17850 1 1427 . 1 1 116 116 LYS HD3 H 1 1.652 0.000 . 2 . . . A 116 LYS HD3 . 17850 1 1428 . 1 1 116 116 LYS HE2 H 1 2.968 0.000 . 2 . . . A 116 LYS HE2 . 17850 1 1429 . 1 1 116 116 LYS HE3 H 1 2.968 0.000 . 2 . . . A 116 LYS HE3 . 17850 1 1430 . 1 1 116 116 LYS C C 13 175.287 0.000 . 1 . . . A 116 LYS C . 17850 1 1431 . 1 1 116 116 LYS CA C 13 55.635 0.000 . 1 . . . A 116 LYS CA . 17850 1 1432 . 1 1 116 116 LYS CB C 13 32.142 0.006 . 1 . . . A 116 LYS CB . 17850 1 1433 . 1 1 116 116 LYS CG C 13 24.572 0.001 . 1 . . . A 116 LYS CG . 17850 1 1434 . 1 1 116 116 LYS CD C 13 29.131 0.000 . 1 . . . A 116 LYS CD . 17850 1 1435 . 1 1 116 116 LYS CE C 13 42.119 0.000 . 1 . . . A 116 LYS CE . 17850 1 1436 . 1 1 116 116 LYS N N 15 124.370 0.000 . 1 . . . A 116 LYS N . 17850 1 1437 . 1 1 117 117 LEU H H 1 8.042 0.000 . 1 . . . A 117 LEU H . 17850 1 1438 . 1 1 117 117 LEU HA H 1 4.784 0.000 . 1 . . . A 117 LEU HA . 17850 1 1439 . 1 1 117 117 LEU HB2 H 1 1.461 0.000 . 2 . . . A 117 LEU HB2 . 17850 1 1440 . 1 1 117 117 LEU HB3 H 1 1.600 0.000 . 2 . . . A 117 LEU HB3 . 17850 1 1441 . 1 1 117 117 LEU HG H 1 1.588 0.000 . 1 . . . A 117 LEU HG . 17850 1 1442 . 1 1 117 117 LEU HD11 H 1 0.788 0.000 . . . . . A 117 LEU HD11 . 17850 1 1443 . 1 1 117 117 LEU HD12 H 1 0.788 0.000 . . . . . A 117 LEU HD12 . 17850 1 1444 . 1 1 117 117 LEU HD13 H 1 0.788 0.000 . . . . . A 117 LEU HD13 . 17850 1 1445 . 1 1 117 117 LEU HD21 H 1 0.803 0.000 . . . . . A 117 LEU HD21 . 17850 1 1446 . 1 1 117 117 LEU HD22 H 1 0.803 0.000 . . . . . A 117 LEU HD22 . 17850 1 1447 . 1 1 117 117 LEU HD23 H 1 0.803 0.000 . . . . . A 117 LEU HD23 . 17850 1 1448 . 1 1 117 117 LEU C C 13 177.161 0.000 . 1 . . . A 117 LEU C . 17850 1 1449 . 1 1 117 117 LEU CA C 13 54.233 0.000 . 1 . . . A 117 LEU CA . 17850 1 1450 . 1 1 117 117 LEU CB C 13 44.998 0.003 . 1 . . . A 117 LEU CB . 17850 1 1451 . 1 1 117 117 LEU CG C 13 27.894 0.000 . 1 . . . A 117 LEU CG . 17850 1 1452 . 1 1 117 117 LEU CD1 C 13 26.811 0.000 . 2 . . . A 117 LEU CD1 . 17850 1 1453 . 1 1 117 117 LEU CD2 C 13 24.859 0.000 . 2 . . . A 117 LEU CD2 . 17850 1 1454 . 1 1 117 117 LEU N N 15 125.492 0.000 . 1 . . . A 117 LEU N . 17850 1 1455 . 1 1 118 118 THR H H 1 8.995 0.000 . 1 . . . A 118 THR H . 17850 1 1456 . 1 1 118 118 THR HA H 1 4.497 0.000 . 1 . . . A 118 THR HA . 17850 1 1457 . 1 1 118 118 THR HB H 1 4.678 0.000 . 1 . . . A 118 THR HB . 17850 1 1458 . 1 1 118 118 THR HG21 H 1 1.312 0.000 . . . . . A 118 THR HG21 . 17850 1 1459 . 1 1 118 118 THR HG22 H 1 1.312 0.000 . . . . . A 118 THR HG22 . 17850 1 1460 . 1 1 118 118 THR HG23 H 1 1.312 0.000 . . . . . A 118 THR HG23 . 17850 1 1461 . 1 1 118 118 THR C C 13 175.335 0.000 . 1 . . . A 118 THR C . 17850 1 1462 . 1 1 118 118 THR CA C 13 60.434 0.000 . 1 . . . A 118 THR CA . 17850 1 1463 . 1 1 118 118 THR CB C 13 71.193 0.000 . 1 . . . A 118 THR CB . 17850 1 1464 . 1 1 118 118 THR CG2 C 13 21.844 0.000 . 1 . . . A 118 THR CG2 . 17850 1 1465 . 1 1 118 118 THR N N 15 113.255 0.000 . 1 . . . A 118 THR N . 17850 1 1466 . 1 1 119 119 ASP H H 1 8.743 0.000 . 1 . . . A 119 ASP H . 17850 1 1467 . 1 1 119 119 ASP HA H 1 4.232 0.000 . 1 . . . A 119 ASP HA . 17850 1 1468 . 1 1 119 119 ASP HB2 H 1 2.592 0.000 . 2 . . . A 119 ASP HB2 . 17850 1 1469 . 1 1 119 119 ASP HB3 H 1 2.744 0.000 . 2 . . . A 119 ASP HB3 . 17850 1 1470 . 1 1 119 119 ASP C C 13 178.422 0.000 . 1 . . . A 119 ASP C . 17850 1 1471 . 1 1 119 119 ASP CA C 13 58.097 0.000 . 1 . . . A 119 ASP CA . 17850 1 1472 . 1 1 119 119 ASP CB C 13 39.975 0.004 . 1 . . . A 119 ASP CB . 17850 1 1473 . 1 1 119 119 ASP N N 15 120.837 0.000 . 1 . . . A 119 ASP N . 17850 1 1474 . 1 1 120 120 ALA H H 1 8.304 0.000 . 1 . . . A 120 ALA H . 17850 1 1475 . 1 1 120 120 ALA HA H 1 4.166 0.000 . 1 . . . A 120 ALA HA . 17850 1 1476 . 1 1 120 120 ALA HB1 H 1 1.413 0.000 . . . . . A 120 ALA HB1 . 17850 1 1477 . 1 1 120 120 ALA HB2 H 1 1.413 0.000 . . . . . A 120 ALA HB2 . 17850 1 1478 . 1 1 120 120 ALA HB3 H 1 1.413 0.000 . . . . . A 120 ALA HB3 . 17850 1 1479 . 1 1 120 120 ALA C C 13 179.796 0.000 . 1 . . . A 120 ALA C . 17850 1 1480 . 1 1 120 120 ALA CA C 13 55.028 0.000 . 1 . . . A 120 ALA CA . 17850 1 1481 . 1 1 120 120 ALA CB C 13 18.320 0.000 . 1 . . . A 120 ALA CB . 17850 1 1482 . 1 1 120 120 ALA N N 15 121.309 0.000 . 1 . . . A 120 ALA N . 17850 1 1483 . 1 1 121 121 GLU H H 1 7.705 0.000 . 1 . . . A 121 GLU H . 17850 1 1484 . 1 1 121 121 GLU HA H 1 4.057 0.000 . 1 . . . A 121 GLU HA . 17850 1 1485 . 1 1 121 121 GLU HB2 H 1 1.886 0.000 . 2 . . . A 121 GLU HB2 . 17850 1 1486 . 1 1 121 121 GLU HB3 H 1 2.380 0.000 . 2 . . . A 121 GLU HB3 . 17850 1 1487 . 1 1 121 121 GLU HG2 H 1 2.297 0.000 . 2 . . . A 121 GLU HG2 . 17850 1 1488 . 1 1 121 121 GLU HG3 H 1 2.379 0.000 . 2 . . . A 121 GLU HG3 . 17850 1 1489 . 1 1 121 121 GLU C C 13 180.035 0.000 . 1 . . . A 121 GLU C . 17850 1 1490 . 1 1 121 121 GLU CA C 13 59.238 0.000 . 1 . . . A 121 GLU CA . 17850 1 1491 . 1 1 121 121 GLU CB C 13 30.429 0.005 . 1 . . . A 121 GLU CB . 17850 1 1492 . 1 1 121 121 GLU CG C 13 37.803 0.000 . 1 . . . A 121 GLU CG . 17850 1 1493 . 1 1 121 121 GLU N N 15 118.068 0.000 . 1 . . . A 121 GLU N . 17850 1 1494 . 1 1 122 122 VAL H H 1 7.935 0.000 . 1 . . . A 122 VAL H . 17850 1 1495 . 1 1 122 122 VAL HA H 1 3.537 0.000 . 1 . . . A 122 VAL HA . 17850 1 1496 . 1 1 122 122 VAL HB H 1 2.234 0.000 . 1 . . . A 122 VAL HB . 17850 1 1497 . 1 1 122 122 VAL HG11 H 1 0.974 0.000 . . . . . A 122 VAL HG11 . 17850 1 1498 . 1 1 122 122 VAL HG12 H 1 0.974 0.000 . . . . . A 122 VAL HG12 . 17850 1 1499 . 1 1 122 122 VAL HG13 H 1 0.974 0.000 . . . . . A 122 VAL HG13 . 17850 1 1500 . 1 1 122 122 VAL HG21 H 1 1.012 0.000 . . . . . A 122 VAL HG21 . 17850 1 1501 . 1 1 122 122 VAL HG22 H 1 1.012 0.000 . . . . . A 122 VAL HG22 . 17850 1 1502 . 1 1 122 122 VAL HG23 H 1 1.012 0.000 . . . . . A 122 VAL HG23 . 17850 1 1503 . 1 1 122 122 VAL C C 13 177.120 0.000 . 1 . . . A 122 VAL C . 17850 1 1504 . 1 1 122 122 VAL CA C 13 67.042 0.000 . 1 . . . A 122 VAL CA . 17850 1 1505 . 1 1 122 122 VAL CB C 13 31.392 0.000 . 1 . . . A 122 VAL CB . 17850 1 1506 . 1 1 122 122 VAL CG1 C 13 23.823 0.000 . 2 . . . A 122 VAL CG1 . 17850 1 1507 . 1 1 122 122 VAL CG2 C 13 22.295 0.000 . 2 . . . A 122 VAL CG2 . 17850 1 1508 . 1 1 122 122 VAL N N 15 120.636 0.000 . 1 . . . A 122 VAL N . 17850 1 1509 . 1 1 123 123 ASP H H 1 8.204 0.000 . 1 . . . A 123 ASP H . 17850 1 1510 . 1 1 123 123 ASP HA H 1 4.303 0.000 . 1 . . . A 123 ASP HA . 17850 1 1511 . 1 1 123 123 ASP HB2 H 1 2.631 0.000 . 2 . . . A 123 ASP HB2 . 17850 1 1512 . 1 1 123 123 ASP HB3 H 1 2.735 0.000 . 2 . . . A 123 ASP HB3 . 17850 1 1513 . 1 1 123 123 ASP C C 13 179.023 0.000 . 1 . . . A 123 ASP C . 17850 1 1514 . 1 1 123 123 ASP CA C 13 57.943 0.000 . 1 . . . A 123 ASP CA . 17850 1 1515 . 1 1 123 123 ASP CB C 13 40.671 0.002 . 1 . . . A 123 ASP CB . 17850 1 1516 . 1 1 123 123 ASP N N 15 120.336 0.000 . 1 . . . A 123 ASP N . 17850 1 1517 . 1 1 124 124 ASP H H 1 8.272 0.000 . 1 . . . A 124 ASP H . 17850 1 1518 . 1 1 124 124 ASP HA H 1 4.340 0.000 . 1 . . . A 124 ASP HA . 17850 1 1519 . 1 1 124 124 ASP HB2 H 1 2.634 0.000 . 2 . . . A 124 ASP HB2 . 17850 1 1520 . 1 1 124 124 ASP HB3 H 1 2.785 0.000 . 2 . . . A 124 ASP HB3 . 17850 1 1521 . 1 1 124 124 ASP C C 13 178.527 0.000 . 1 . . . A 124 ASP C . 17850 1 1522 . 1 1 124 124 ASP CA C 13 57.523 0.000 . 1 . . . A 124 ASP CA . 17850 1 1523 . 1 1 124 124 ASP CB C 13 40.820 0.002 . 1 . . . A 124 ASP CB . 17850 1 1524 . 1 1 124 124 ASP N N 15 118.890 0.000 . 1 . . . A 124 ASP N . 17850 1 1525 . 1 1 125 125 MET H H 1 7.750 0.000 . 1 . . . A 125 MET H . 17850 1 1526 . 1 1 125 125 MET HA H 1 4.091 0.000 . 1 . . . A 125 MET HA . 17850 1 1527 . 1 1 125 125 MET HB2 H 1 2.086 0.000 . 2 . . . A 125 MET HB2 . 17850 1 1528 . 1 1 125 125 MET HB3 H 1 2.235 0.000 . 2 . . . A 125 MET HB3 . 17850 1 1529 . 1 1 125 125 MET HG2 H 1 2.399 0.000 . 2 . . . A 125 MET HG2 . 17850 1 1530 . 1 1 125 125 MET HG3 H 1 2.609 0.000 . 2 . . . A 125 MET HG3 . 17850 1 1531 . 1 1 125 125 MET HE1 H 1 1.895 0.000 . . . . . A 125 MET HE1 . 17850 1 1532 . 1 1 125 125 MET HE2 H 1 1.895 0.000 . . . . . A 125 MET HE2 . 17850 1 1533 . 1 1 125 125 MET HE3 H 1 1.895 0.000 . . . . . A 125 MET HE3 . 17850 1 1534 . 1 1 125 125 MET C C 13 178.021 0.000 . 1 . . . A 125 MET C . 17850 1 1535 . 1 1 125 125 MET CA C 13 59.205 0.000 . 1 . . . A 125 MET CA . 17850 1 1536 . 1 1 125 125 MET CB C 13 33.281 0.002 . 1 . . . A 125 MET CB . 17850 1 1537 . 1 1 125 125 MET CG C 13 32.022 0.000 . 1 . . . A 125 MET CG . 17850 1 1538 . 1 1 125 125 MET CE C 13 16.844 0.000 . 1 . . . A 125 MET CE . 17850 1 1539 . 1 1 125 125 MET N N 15 119.365 0.000 . 1 . . . A 125 MET N . 17850 1 1540 . 1 1 126 126 LEU H H 1 8.152 0.000 . 1 . . . A 126 LEU H . 17850 1 1541 . 1 1 126 126 LEU HA H 1 3.924 0.000 . 1 . . . A 126 LEU HA . 17850 1 1542 . 1 1 126 126 LEU HB2 H 1 1.448 0.000 . 2 . . . A 126 LEU HB2 . 17850 1 1543 . 1 1 126 126 LEU HB3 H 1 1.868 0.000 . 2 . . . A 126 LEU HB3 . 17850 1 1544 . 1 1 126 126 LEU HG H 1 1.723 0.000 . 1 . . . A 126 LEU HG . 17850 1 1545 . 1 1 126 126 LEU HD11 H 1 0.731 0.000 . . . . . A 126 LEU HD11 . 17850 1 1546 . 1 1 126 126 LEU HD12 H 1 0.731 0.000 . . . . . A 126 LEU HD12 . 17850 1 1547 . 1 1 126 126 LEU HD13 H 1 0.731 0.000 . . . . . A 126 LEU HD13 . 17850 1 1548 . 1 1 126 126 LEU HD21 H 1 0.815 0.000 . . . . . A 126 LEU HD21 . 17850 1 1549 . 1 1 126 126 LEU HD22 H 1 0.815 0.000 . . . . . A 126 LEU HD22 . 17850 1 1550 . 1 1 126 126 LEU HD23 H 1 0.815 0.000 . . . . . A 126 LEU HD23 . 17850 1 1551 . 1 1 126 126 LEU C C 13 180.267 0.000 . 1 . . . A 126 LEU C . 17850 1 1552 . 1 1 126 126 LEU CA C 13 57.802 0.000 . 1 . . . A 126 LEU CA . 17850 1 1553 . 1 1 126 126 LEU CB C 13 41.614 0.000 . 1 . . . A 126 LEU CB . 17850 1 1554 . 1 1 126 126 LEU CG C 13 27.253 0.000 . 1 . . . A 126 LEU CG . 17850 1 1555 . 1 1 126 126 LEU CD1 C 13 23.853 0.000 . 2 . . . A 126 LEU CD1 . 17850 1 1556 . 1 1 126 126 LEU CD2 C 13 25.269 0.000 . 2 . . . A 126 LEU CD2 . 17850 1 1557 . 1 1 126 126 LEU N N 15 117.193 0.000 . 1 . . . A 126 LEU N . 17850 1 1558 . 1 1 127 127 ARG H H 1 8.335 0.000 . 1 . . . A 127 ARG H . 17850 1 1559 . 1 1 127 127 ARG HA H 1 4.041 0.000 . 1 . . . A 127 ARG HA . 17850 1 1560 . 1 1 127 127 ARG HB2 H 1 1.925 0.000 . 2 . . . A 127 ARG HB2 . 17850 1 1561 . 1 1 127 127 ARG HB3 H 1 1.969 0.000 . 2 . . . A 127 ARG HB3 . 17850 1 1562 . 1 1 127 127 ARG HG2 H 1 1.574 0.000 . 2 . . . A 127 ARG HG2 . 17850 1 1563 . 1 1 127 127 ARG HG3 H 1 1.756 0.000 . 2 . . . A 127 ARG HG3 . 17850 1 1564 . 1 1 127 127 ARG HD2 H 1 3.192 0.000 . 2 . . . A 127 ARG HD2 . 17850 1 1565 . 1 1 127 127 ARG HD3 H 1 3.225 0.000 . 2 . . . A 127 ARG HD3 . 17850 1 1566 . 1 1 127 127 ARG HE H 1 7.427 0.000 . 1 . . . A 127 ARG HE . 17850 1 1567 . 1 1 127 127 ARG C C 13 178.027 0.000 . 1 . . . A 127 ARG C . 17850 1 1568 . 1 1 127 127 ARG CA C 13 59.281 0.000 . 1 . . . A 127 ARG CA . 17850 1 1569 . 1 1 127 127 ARG CB C 13 29.999 0.003 . 1 . . . A 127 ARG CB . 17850 1 1570 . 1 1 127 127 ARG CG C 13 28.423 0.001 . 1 . . . A 127 ARG CG . 17850 1 1571 . 1 1 127 127 ARG CD C 13 43.127 0.002 . 1 . . . A 127 ARG CD . 17850 1 1572 . 1 1 127 127 ARG CZ C 13 175.503 0.000 . 1 . . . A 127 ARG CZ . 17850 1 1573 . 1 1 127 127 ARG N N 15 120.792 0.000 . 1 . . . A 127 ARG N . 17850 1 1574 . 1 1 127 127 ARG NE N 15 84.569 0.000 . 1 . . . A 127 ARG NE . 17850 1 1575 . 1 1 128 128 GLU H H 1 7.667 0.000 . 1 . . . A 128 GLU H . 17850 1 1576 . 1 1 128 128 GLU HA H 1 4.106 0.000 . 1 . . . A 128 GLU HA . 17850 1 1577 . 1 1 128 128 GLU HB2 H 1 2.128 0.000 . 2 . . . A 128 GLU HB2 . 17850 1 1578 . 1 1 128 128 GLU HB3 H 1 2.232 0.000 . 2 . . . A 128 GLU HB3 . 17850 1 1579 . 1 1 128 128 GLU HG2 H 1 2.244 0.000 . 2 . . . A 128 GLU HG2 . 17850 1 1580 . 1 1 128 128 GLU HG3 H 1 2.527 0.000 . 2 . . . A 128 GLU HG3 . 17850 1 1581 . 1 1 128 128 GLU C C 13 178.618 0.000 . 1 . . . A 128 GLU C . 17850 1 1582 . 1 1 128 128 GLU CA C 13 59.205 0.000 . 1 . . . A 128 GLU CA . 17850 1 1583 . 1 1 128 128 GLU CB C 13 30.394 0.000 . 1 . . . A 128 GLU CB . 17850 1 1584 . 1 1 128 128 GLU CG C 13 36.544 0.000 . 1 . . . A 128 GLU CG . 17850 1 1585 . 1 1 128 128 GLU N N 15 117.142 0.000 . 1 . . . A 128 GLU N . 17850 1 1586 . 1 1 129 129 VAL H H 1 7.470 0.000 . 1 . . . A 129 VAL H . 17850 1 1587 . 1 1 129 129 VAL HA H 1 4.487 0.000 . 1 . . . A 129 VAL HA . 17850 1 1588 . 1 1 129 129 VAL HB H 1 2.443 0.000 . 1 . . . A 129 VAL HB . 17850 1 1589 . 1 1 129 129 VAL HG11 H 1 0.899 0.000 . . . . . A 129 VAL HG11 . 17850 1 1590 . 1 1 129 129 VAL HG12 H 1 0.899 0.000 . . . . . A 129 VAL HG12 . 17850 1 1591 . 1 1 129 129 VAL HG13 H 1 0.899 0.000 . . . . . A 129 VAL HG13 . 17850 1 1592 . 1 1 129 129 VAL HG21 H 1 0.965 0.000 . . . . . A 129 VAL HG21 . 17850 1 1593 . 1 1 129 129 VAL HG22 H 1 0.965 0.000 . . . . . A 129 VAL HG22 . 17850 1 1594 . 1 1 129 129 VAL HG23 H 1 0.965 0.000 . . . . . A 129 VAL HG23 . 17850 1 1595 . 1 1 129 129 VAL C C 13 175.591 0.000 . 1 . . . A 129 VAL C . 17850 1 1596 . 1 1 129 129 VAL CA C 13 61.663 0.000 . 1 . . . A 129 VAL CA . 17850 1 1597 . 1 1 129 129 VAL CB C 13 33.009 0.000 . 1 . . . A 129 VAL CB . 17850 1 1598 . 1 1 129 129 VAL CG1 C 13 21.680 0.000 . 2 . . . A 129 VAL CG1 . 17850 1 1599 . 1 1 129 129 VAL CG2 C 13 19.731 0.000 . 2 . . . A 129 VAL CG2 . 17850 1 1600 . 1 1 129 129 VAL N N 15 108.345 0.000 . 1 . . . A 129 VAL N . 17850 1 1601 . 1 1 130 130 SER H H 1 7.858 0.000 . 1 . . . A 130 SER H . 17850 1 1602 . 1 1 130 130 SER HA H 1 4.670 0.000 . 1 . . . A 130 SER HA . 17850 1 1603 . 1 1 130 130 SER HB2 H 1 3.623 0.000 . 2 . . . A 130 SER HB2 . 17850 1 1604 . 1 1 130 130 SER HB3 H 1 4.274 0.000 . 2 . . . A 130 SER HB3 . 17850 1 1605 . 1 1 130 130 SER HG H 1 5.249 0.000 . 1 . . . A 130 SER HG . 17850 1 1606 . 1 1 130 130 SER C C 13 174.414 0.000 . 1 . . . A 130 SER C . 17850 1 1607 . 1 1 130 130 SER CA C 13 58.067 0.000 . 1 . . . A 130 SER CA . 17850 1 1608 . 1 1 130 130 SER CB C 13 65.814 0.003 . 1 . . . A 130 SER CB . 17850 1 1609 . 1 1 130 130 SER N N 15 115.012 0.000 . 1 . . . A 130 SER N . 17850 1 1610 . 1 1 131 131 ASP H H 1 8.478 0.000 . 1 . . . A 131 ASP H . 17850 1 1611 . 1 1 131 131 ASP HA H 1 4.566 0.000 . 1 . . . A 131 ASP HA . 17850 1 1612 . 1 1 131 131 ASP HB2 H 1 2.811 0.000 . 2 . . . A 131 ASP HB2 . 17850 1 1613 . 1 1 131 131 ASP HB3 H 1 2.907 0.000 . 2 . . . A 131 ASP HB3 . 17850 1 1614 . 1 1 131 131 ASP C C 13 176.676 0.000 . 1 . . . A 131 ASP C . 17850 1 1615 . 1 1 131 131 ASP CA C 13 54.783 0.000 . 1 . . . A 131 ASP CA . 17850 1 1616 . 1 1 131 131 ASP CB C 13 40.255 0.002 . 1 . . . A 131 ASP CB . 17850 1 1617 . 1 1 131 131 ASP N N 15 120.972 0.000 . 1 . . . A 131 ASP N . 17850 1 1618 . 1 1 132 132 GLY H H 1 8.352 0.000 . 1 . . . A 132 GLY H . 17850 1 1619 . 1 1 132 132 GLY HA2 H 1 3.665 0.000 . . . . . A 132 GLY HA2 . 17850 1 1620 . 1 1 132 132 GLY HA3 H 1 4.288 0.000 . 2 . . . A 132 GLY HA3 . 17850 1 1621 . 1 1 132 132 GLY C C 13 174.924 0.000 . 1 . . . A 132 GLY C . 17850 1 1622 . 1 1 132 132 GLY CA C 13 45.670 0.007 . 1 . . . A 132 GLY CA . 17850 1 1623 . 1 1 132 132 GLY N N 15 105.512 0.000 . 1 . . . A 132 GLY N . 17850 1 1624 . 1 1 133 133 SER H H 1 8.104 0.000 . 1 . . . A 133 SER H . 17850 1 1625 . 1 1 133 133 SER HA H 1 4.435 0.000 . 1 . . . A 133 SER HA . 17850 1 1626 . 1 1 133 133 SER HB2 H 1 4.052 0.000 . 2 . . . A 133 SER HB2 . 17850 1 1627 . 1 1 133 133 SER HB3 H 1 4.080 0.000 . 2 . . . A 133 SER HB3 . 17850 1 1628 . 1 1 133 133 SER C C 13 175.404 0.000 . 1 . . . A 133 SER C . 17850 1 1629 . 1 1 133 133 SER CA C 13 59.340 0.000 . 1 . . . A 133 SER CA . 17850 1 1630 . 1 1 133 133 SER CB C 13 64.064 0.001 . 1 . . . A 133 SER CB . 17850 1 1631 . 1 1 133 133 SER N N 15 116.718 0.000 . 1 . . . A 133 SER N . 17850 1 1632 . 1 1 134 134 GLY H H 1 8.555 0.000 . 1 . . . A 134 GLY H . 17850 1 1633 . 1 1 134 134 GLY HA2 H 1 3.740 0.000 . . . . . A 134 GLY HA2 . 17850 1 1634 . 1 1 134 134 GLY HA3 H 1 4.060 0.000 . 2 . . . A 134 GLY HA3 . 17850 1 1635 . 1 1 134 134 GLY C C 13 172.547 0.000 . 1 . . . A 134 GLY C . 17850 1 1636 . 1 1 134 134 GLY CA C 13 45.823 0.000 . 1 . . . A 134 GLY CA . 17850 1 1637 . 1 1 134 134 GLY N N 15 109.601 0.000 . 1 . . . A 134 GLY N . 17850 1 1638 . 1 1 135 135 GLU H H 1 7.641 0.000 . 1 . . . A 135 GLU H . 17850 1 1639 . 1 1 135 135 GLU HA H 1 5.027 0.000 . 1 . . . A 135 GLU HA . 17850 1 1640 . 1 1 135 135 GLU HB2 H 1 1.762 0.000 . 2 . . . A 135 GLU HB2 . 17850 1 1641 . 1 1 135 135 GLU HB3 H 1 1.921 0.000 . 2 . . . A 135 GLU HB3 . 17850 1 1642 . 1 1 135 135 GLU HG2 H 1 2.072 0.000 . 2 . . . A 135 GLU HG2 . 17850 1 1643 . 1 1 135 135 GLU HG3 H 1 2.118 0.000 . 2 . . . A 135 GLU HG3 . 17850 1 1644 . 1 1 135 135 GLU C C 13 175.280 0.000 . 1 . . . A 135 GLU C . 17850 1 1645 . 1 1 135 135 GLU CA C 13 54.735 0.000 . 1 . . . A 135 GLU CA . 17850 1 1646 . 1 1 135 135 GLU CB C 13 32.874 0.001 . 1 . . . A 135 GLU CB . 17850 1 1647 . 1 1 135 135 GLU CG C 13 35.556 0.002 . 1 . . . A 135 GLU CG . 17850 1 1648 . 1 1 135 135 GLU N N 15 117.166 0.000 . 1 . . . A 135 GLU N . 17850 1 1649 . 1 1 136 136 ILE H H 1 8.565 0.000 . 1 . . . A 136 ILE H . 17850 1 1650 . 1 1 136 136 ILE HA H 1 5.076 0.000 . 1 . . . A 136 ILE HA . 17850 1 1651 . 1 1 136 136 ILE HB H 1 2.095 0.000 . 1 . . . A 136 ILE HB . 17850 1 1652 . 1 1 136 136 ILE HG12 H 1 1.095 0.000 . 2 . . . A 136 ILE HG12 . 17850 1 1653 . 1 1 136 136 ILE HG13 H 1 1.715 0.000 . 2 . . . A 136 ILE HG13 . 17850 1 1654 . 1 1 136 136 ILE HG21 H 1 0.892 0.000 . . . . . A 136 ILE HG21 . 17850 1 1655 . 1 1 136 136 ILE HG22 H 1 0.892 0.000 . . . . . A 136 ILE HG22 . 17850 1 1656 . 1 1 136 136 ILE HG23 H 1 0.892 0.000 . . . . . A 136 ILE HG23 . 17850 1 1657 . 1 1 136 136 ILE HD11 H 1 0.793 0.000 . . . . . A 136 ILE HD11 . 17850 1 1658 . 1 1 136 136 ILE HD12 H 1 0.793 0.000 . . . . . A 136 ILE HD12 . 17850 1 1659 . 1 1 136 136 ILE HD13 H 1 0.793 0.000 . . . . . A 136 ILE HD13 . 17850 1 1660 . 1 1 136 136 ILE C C 13 175.228 0.000 . 1 . . . A 136 ILE C . 17850 1 1661 . 1 1 136 136 ILE CA C 13 59.398 0.000 . 1 . . . A 136 ILE CA . 17850 1 1662 . 1 1 136 136 ILE CB C 13 41.652 0.000 . 1 . . . A 136 ILE CB . 17850 1 1663 . 1 1 136 136 ILE CG1 C 13 25.910 0.003 . 1 . . . A 136 ILE CG1 . 17850 1 1664 . 1 1 136 136 ILE CG2 C 13 18.853 0.000 . 1 . . . A 136 ILE CG2 . 17850 1 1665 . 1 1 136 136 ILE CD1 C 13 14.063 0.000 . 1 . . . A 136 ILE CD1 . 17850 1 1666 . 1 1 136 136 ILE N N 15 114.256 0.000 . 1 . . . A 136 ILE N . 17850 1 1667 . 1 1 137 137 ASN H H 1 8.767 0.000 . 1 . . . A 137 ASN H . 17850 1 1668 . 1 1 137 137 ASN HA H 1 5.265 0.000 . 1 . . . A 137 ASN HA . 17850 1 1669 . 1 1 137 137 ASN HB2 H 1 2.789 0.000 . 2 . . . A 137 ASN HB2 . 17850 1 1670 . 1 1 137 137 ASN HB3 H 1 3.456 0.000 . 2 . . . A 137 ASN HB3 . 17850 1 1671 . 1 1 137 137 ASN HD21 H 1 7.464 0.000 . 2 . . . A 137 ASN HD21 . 17850 1 1672 . 1 1 137 137 ASN HD22 H 1 7.011 0.000 . 2 . . . A 137 ASN HD22 . 17850 1 1673 . 1 1 137 137 ASN C C 13 176.835 0.000 . 1 . . . A 137 ASN C . 17850 1 1674 . 1 1 137 137 ASN CA C 13 51.027 0.000 . 1 . . . A 137 ASN CA . 17850 1 1675 . 1 1 137 137 ASN CB C 13 39.713 0.004 . 1 . . . A 137 ASN CB . 17850 1 1676 . 1 1 137 137 ASN CG C 13 175.704 0.034 . 1 . . . A 137 ASN CG . 17850 1 1677 . 1 1 137 137 ASN N N 15 121.842 0.000 . 1 . . . A 137 ASN N . 17850 1 1678 . 1 1 137 137 ASN ND2 N 15 111.302 0.012 . 1 . . . A 137 ASN ND2 . 17850 1 1679 . 1 1 138 138 ILE H H 1 8.418 0.000 . 1 . . . A 138 ILE H . 17850 1 1680 . 1 1 138 138 ILE HA H 1 3.752 0.000 . 1 . . . A 138 ILE HA . 17850 1 1681 . 1 1 138 138 ILE HB H 1 0.668 0.000 . 1 . . . A 138 ILE HB . 17850 1 1682 . 1 1 138 138 ILE HG12 H 1 0.952 0.000 . 2 . . . A 138 ILE HG12 . 17850 1 1683 . 1 1 138 138 ILE HG13 H 1 1.048 0.000 . 2 . . . A 138 ILE HG13 . 17850 1 1684 . 1 1 138 138 ILE HG21 H 1 0.708 0.000 . . . . . A 138 ILE HG21 . 17850 1 1685 . 1 1 138 138 ILE HG22 H 1 0.708 0.000 . . . . . A 138 ILE HG22 . 17850 1 1686 . 1 1 138 138 ILE HG23 H 1 0.708 0.000 . . . . . A 138 ILE HG23 . 17850 1 1687 . 1 1 138 138 ILE HD11 H 1 0.610 0.000 . . . . . A 138 ILE HD11 . 17850 1 1688 . 1 1 138 138 ILE HD12 H 1 0.610 0.000 . . . . . A 138 ILE HD12 . 17850 1 1689 . 1 1 138 138 ILE HD13 H 1 0.610 0.000 . . . . . A 138 ILE HD13 . 17850 1 1690 . 1 1 138 138 ILE CA C 13 64.772 0.000 . 1 . . . A 138 ILE CA . 17850 1 1691 . 1 1 138 138 ILE CB C 13 37.553 0.000 . 1 . . . A 138 ILE CB . 17850 1 1692 . 1 1 138 138 ILE CG1 C 13 29.599 0.006 . 1 . . . A 138 ILE CG1 . 17850 1 1693 . 1 1 138 138 ILE CG2 C 13 16.528 0.000 . 1 . . . A 138 ILE CG2 . 17850 1 1694 . 1 1 138 138 ILE CD1 C 13 14.662 0.000 . 1 . . . A 138 ILE CD1 . 17850 1 1695 . 1 1 138 138 ILE N N 15 118.075 0.000 . 1 . . . A 138 ILE N . 17850 1 1696 . 1 1 139 139 GLN H H 1 7.632 0.000 . 1 . . . A 139 GLN H . 17850 1 1697 . 1 1 139 139 GLN HA H 1 4.126 0.000 . 1 . . . A 139 GLN HA . 17850 1 1698 . 1 1 139 139 GLN HB2 H 1 2.088 0.000 . 2 . . . A 139 GLN HB2 . 17850 1 1699 . 1 1 139 139 GLN HB3 H 1 2.204 0.000 . 2 . . . A 139 GLN HB3 . 17850 1 1700 . 1 1 139 139 GLN HG2 H 1 2.401 0.000 . 2 . . . A 139 GLN HG2 . 17850 1 1701 . 1 1 139 139 GLN HG3 H 1 2.445 0.000 . 2 . . . A 139 GLN HG3 . 17850 1 1702 . 1 1 139 139 GLN HE21 H 1 7.490 0.001 . 2 . . . A 139 GLN HE21 . 17850 1 1703 . 1 1 139 139 GLN HE22 H 1 6.784 0.000 . 2 . . . A 139 GLN HE22 . 17850 1 1704 . 1 1 139 139 GLN C C 13 179.886 0.000 . 1 . . . A 139 GLN C . 17850 1 1705 . 1 1 139 139 GLN CA C 13 59.586 0.000 . 1 . . . A 139 GLN CA . 17850 1 1706 . 1 1 139 139 GLN CB C 13 27.785 0.002 . 1 . . . A 139 GLN CB . 17850 1 1707 . 1 1 139 139 GLN CG C 13 34.531 0.005 . 1 . . . A 139 GLN CG . 17850 1 1708 . 1 1 139 139 GLN CD C 13 180.305 0.003 . 1 . . . A 139 GLN CD . 17850 1 1709 . 1 1 139 139 GLN N N 15 122.926 0.000 . 1 . . . A 139 GLN N . 17850 1 1710 . 1 1 139 139 GLN NE2 N 15 112.053 0.001 . 1 . . . A 139 GLN NE2 . 17850 1 1711 . 1 1 140 140 GLN H H 1 8.416 0.000 . 1 . . . A 140 GLN H . 17850 1 1712 . 1 1 140 140 GLN HA H 1 4.161 0.000 . 1 . . . A 140 GLN HA . 17850 1 1713 . 1 1 140 140 GLN HB2 H 1 1.886 0.000 . 2 . . . A 140 GLN HB2 . 17850 1 1714 . 1 1 140 140 GLN HB3 H 1 2.488 0.000 . 2 . . . A 140 GLN HB3 . 17850 1 1715 . 1 1 140 140 GLN HG2 H 1 2.639 0.000 . 2 . . . A 140 GLN HG2 . 17850 1 1716 . 1 1 140 140 GLN HG3 H 1 2.691 0.000 . 2 . . . A 140 GLN HG3 . 17850 1 1717 . 1 1 140 140 GLN HE21 H 1 7.559 0.000 . 2 . . . A 140 GLN HE21 . 17850 1 1718 . 1 1 140 140 GLN HE22 H 1 6.707 0.002 . 2 . . . A 140 GLN HE22 . 17850 1 1719 . 1 1 140 140 GLN C C 13 178.284 0.000 . 1 . . . A 140 GLN C . 17850 1 1720 . 1 1 140 140 GLN CA C 13 58.216 0.000 . 1 . . . A 140 GLN CA . 17850 1 1721 . 1 1 140 140 GLN CB C 13 28.438 0.007 . 1 . . . A 140 GLN CB . 17850 1 1722 . 1 1 140 140 GLN CG C 13 34.329 0.001 . 1 . . . A 140 GLN CG . 17850 1 1723 . 1 1 140 140 GLN CD C 13 179.654 0.002 . 1 . . . A 140 GLN CD . 17850 1 1724 . 1 1 140 140 GLN N N 15 121.813 0.000 . 1 . . . A 140 GLN N . 17850 1 1725 . 1 1 140 140 GLN NE2 N 15 110.156 0.002 . 1 . . . A 140 GLN NE2 . 17850 1 1726 . 1 1 141 141 PHE H H 1 9.030 0.000 . 1 . . . A 141 PHE H . 17850 1 1727 . 1 1 141 141 PHE HA H 1 4.152 0.000 . 1 . . . A 141 PHE HA . 17850 1 1728 . 1 1 141 141 PHE HB2 H 1 3.207 0.000 . 2 . . . A 141 PHE HB2 . 17850 1 1729 . 1 1 141 141 PHE HB3 H 1 3.482 0.000 . 2 . . . A 141 PHE HB3 . 17850 1 1730 . 1 1 141 141 PHE HD1 H 1 7.042 0.000 . 3 . . . A 141 PHE HD1 . 17850 1 1731 . 1 1 141 141 PHE HD2 H 1 7.042 0.000 . 3 . . . A 141 PHE HD2 . 17850 1 1732 . 1 1 141 141 PHE HE1 H 1 6.874 0.000 . 3 . . . A 141 PHE HE1 . 17850 1 1733 . 1 1 141 141 PHE HE2 H 1 6.874 0.000 . 3 . . . A 141 PHE HE2 . 17850 1 1734 . 1 1 141 141 PHE HZ H 1 6.798 0.000 . 1 . . . A 141 PHE HZ . 17850 1 1735 . 1 1 141 141 PHE C C 13 176.273 0.000 . 1 . . . A 141 PHE C . 17850 1 1736 . 1 1 141 141 PHE CA C 13 60.960 0.000 . 1 . . . A 141 PHE CA . 17850 1 1737 . 1 1 141 141 PHE CB C 13 40.061 0.006 . 1 . . . A 141 PHE CB . 17850 1 1738 . 1 1 141 141 PHE CD2 C 13 131.836 0.000 . 3 . . . A 141 PHE CD2 . 17850 1 1739 . 1 1 141 141 PHE CE2 C 13 130.634 0.000 . 3 . . . A 141 PHE CE2 . 17850 1 1740 . 1 1 141 141 PHE CZ C 13 129.162 0.000 . 1 . . . A 141 PHE CZ . 17850 1 1741 . 1 1 141 141 PHE N N 15 121.732 0.000 . 1 . . . A 141 PHE N . 17850 1 1742 . 1 1 142 142 ALA H H 1 8.399 0.000 . 1 . . . A 142 ALA H . 17850 1 1743 . 1 1 142 142 ALA HA H 1 3.803 0.000 . 1 . . . A 142 ALA HA . 17850 1 1744 . 1 1 142 142 ALA HB1 H 1 1.547 0.000 . . . . . A 142 ALA HB1 . 17850 1 1745 . 1 1 142 142 ALA HB2 H 1 1.547 0.000 . . . . . A 142 ALA HB2 . 17850 1 1746 . 1 1 142 142 ALA HB3 H 1 1.547 0.000 . . . . . A 142 ALA HB3 . 17850 1 1747 . 1 1 142 142 ALA C C 13 180.733 0.000 . 1 . . . A 142 ALA C . 17850 1 1748 . 1 1 142 142 ALA CA C 13 55.210 0.000 . 1 . . . A 142 ALA CA . 17850 1 1749 . 1 1 142 142 ALA CB C 13 17.902 0.000 . 1 . . . A 142 ALA CB . 17850 1 1750 . 1 1 142 142 ALA N N 15 119.852 0.000 . 1 . . . A 142 ALA N . 17850 1 1751 . 1 1 143 143 ALA H H 1 7.627 0.000 . 1 . . . A 143 ALA H . 17850 1 1752 . 1 1 143 143 ALA HA H 1 4.114 0.000 . 1 . . . A 143 ALA HA . 17850 1 1753 . 1 1 143 143 ALA HB1 H 1 1.569 0.000 . . . . . A 143 ALA HB1 . 17850 1 1754 . 1 1 143 143 ALA HB2 H 1 1.569 0.000 . . . . . A 143 ALA HB2 . 17850 1 1755 . 1 1 143 143 ALA HB3 H 1 1.569 0.000 . . . . . A 143 ALA HB3 . 17850 1 1756 . 1 1 143 143 ALA C C 13 180.455 0.000 . 1 . . . A 143 ALA C . 17850 1 1757 . 1 1 143 143 ALA CA C 13 55.013 0.000 . 1 . . . A 143 ALA CA . 17850 1 1758 . 1 1 143 143 ALA CB C 13 17.849 0.000 . 1 . . . A 143 ALA CB . 17850 1 1759 . 1 1 143 143 ALA N N 15 120.555 0.000 . 1 . . . A 143 ALA N . 17850 1 1760 . 1 1 144 144 LEU H H 1 8.029 0.000 . 1 . . . A 144 LEU H . 17850 1 1761 . 1 1 144 144 LEU HA H 1 3.933 0.000 . 1 . . . A 144 LEU HA . 17850 1 1762 . 1 1 144 144 LEU HB2 H 1 1.616 0.000 . 2 . . . A 144 LEU HB2 . 17850 1 1763 . 1 1 144 144 LEU HB3 H 1 1.910 0.000 . 2 . . . A 144 LEU HB3 . 17850 1 1764 . 1 1 144 144 LEU HG H 1 1.516 0.000 . 1 . . . A 144 LEU HG . 17850 1 1765 . 1 1 144 144 LEU HD11 H 1 0.685 0.000 . . . . . A 144 LEU HD11 . 17850 1 1766 . 1 1 144 144 LEU HD12 H 1 0.685 0.000 . . . . . A 144 LEU HD12 . 17850 1 1767 . 1 1 144 144 LEU HD13 H 1 0.685 0.000 . . . . . A 144 LEU HD13 . 17850 1 1768 . 1 1 144 144 LEU HD21 H 1 0.801 0.000 . . . . . A 144 LEU HD21 . 17850 1 1769 . 1 1 144 144 LEU HD22 H 1 0.801 0.000 . . . . . A 144 LEU HD22 . 17850 1 1770 . 1 1 144 144 LEU HD23 H 1 0.801 0.000 . . . . . A 144 LEU HD23 . 17850 1 1771 . 1 1 144 144 LEU C C 13 177.756 0.000 . 1 . . . A 144 LEU C . 17850 1 1772 . 1 1 144 144 LEU CA C 13 57.696 0.000 . 1 . . . A 144 LEU CA . 17850 1 1773 . 1 1 144 144 LEU CB C 13 41.838 0.012 . 1 . . . A 144 LEU CB . 17850 1 1774 . 1 1 144 144 LEU CG C 13 26.839 0.000 . 1 . . . A 144 LEU CG . 17850 1 1775 . 1 1 144 144 LEU CD1 C 13 24.748 0.000 . 2 . . . A 144 LEU CD1 . 17850 1 1776 . 1 1 144 144 LEU CD2 C 13 24.633 0.000 . 2 . . . A 144 LEU CD2 . 17850 1 1777 . 1 1 144 144 LEU N N 15 121.054 0.000 . 1 . . . A 144 LEU N . 17850 1 1778 . 1 1 145 145 LEU H H 1 7.309 0.000 . 1 . . . A 145 LEU H . 17850 1 1779 . 1 1 145 145 LEU HA H 1 3.973 0.000 . 1 . . . A 145 LEU HA . 17850 1 1780 . 1 1 145 145 LEU HB2 H 1 1.451 0.000 . 2 . . . A 145 LEU HB2 . 17850 1 1781 . 1 1 145 145 LEU HB3 H 1 1.451 0.000 . 2 . . . A 145 LEU HB3 . 17850 1 1782 . 1 1 145 145 LEU HG H 1 1.266 0.000 . 1 . . . A 145 LEU HG . 17850 1 1783 . 1 1 145 145 LEU HD11 H 1 0.356 0.000 . . . . . A 145 LEU HD11 . 17850 1 1784 . 1 1 145 145 LEU HD12 H 1 0.356 0.000 . . . . . A 145 LEU HD12 . 17850 1 1785 . 1 1 145 145 LEU HD13 H 1 0.356 0.000 . . . . . A 145 LEU HD13 . 17850 1 1786 . 1 1 145 145 LEU HD21 H 1 0.471 0.000 . . . . . A 145 LEU HD21 . 17850 1 1787 . 1 1 145 145 LEU HD22 H 1 0.471 0.000 . . . . . A 145 LEU HD22 . 17850 1 1788 . 1 1 145 145 LEU HD23 H 1 0.471 0.000 . . . . . A 145 LEU HD23 . 17850 1 1789 . 1 1 145 145 LEU C C 13 177.284 0.000 . 1 . . . A 145 LEU C . 17850 1 1790 . 1 1 145 145 LEU CA C 13 55.284 0.000 . 1 . . . A 145 LEU CA . 17850 1 1791 . 1 1 145 145 LEU CB C 13 41.610 0.000 . 1 . . . A 145 LEU CB . 17850 1 1792 . 1 1 145 145 LEU CG C 13 26.754 0.000 . 1 . . . A 145 LEU CG . 17850 1 1793 . 1 1 145 145 LEU CD1 C 13 25.125 0.000 . 2 . . . A 145 LEU CD1 . 17850 1 1794 . 1 1 145 145 LEU CD2 C 13 22.730 0.000 . 2 . . . A 145 LEU CD2 . 17850 1 1795 . 1 1 145 145 LEU N N 15 115.288 0.000 . 1 . . . A 145 LEU N . 17850 1 1796 . 1 1 146 146 SER H H 1 7.506 0.000 . 1 . . . A 146 SER H . 17850 1 1797 . 1 1 146 146 SER HA H 1 4.346 0.000 . 1 . . . A 146 SER HA . 17850 1 1798 . 1 1 146 146 SER HB2 H 1 3.953 0.000 . 2 . . . A 146 SER HB2 . 17850 1 1799 . 1 1 146 146 SER HB3 H 1 3.983 0.000 . 2 . . . A 146 SER HB3 . 17850 1 1800 . 1 1 146 146 SER C C 13 175.125 0.000 . 1 . . . A 146 SER C . 17850 1 1801 . 1 1 146 146 SER CA C 13 59.046 0.000 . 1 . . . A 146 SER CA . 17850 1 1802 . 1 1 146 146 SER CB C 13 64.181 0.002 . 1 . . . A 146 SER CB . 17850 1 1803 . 1 1 146 146 SER N N 15 114.503 0.000 . 1 . . . A 146 SER N . 17850 1 1804 . 1 1 147 147 LYS H H 1 8.329 0.000 . 1 . . . A 147 LYS H . 17850 1 1805 . 1 1 147 147 LYS HA H 1 4.167 0.000 . 1 . . . A 147 LYS HA . 17850 1 1806 . 1 1 147 147 LYS HB2 H 1 1.807 0.000 . 2 . . . A 147 LYS HB2 . 17850 1 1807 . 1 1 147 147 LYS HB3 H 1 1.843 0.000 . 2 . . . A 147 LYS HB3 . 17850 1 1808 . 1 1 147 147 LYS HG2 H 1 1.446 0.000 . 2 . . . A 147 LYS HG2 . 17850 1 1809 . 1 1 147 147 LYS HG3 H 1 1.446 0.000 . 2 . . . A 147 LYS HG3 . 17850 1 1810 . 1 1 147 147 LYS HD2 H 1 1.471 0.000 . 2 . . . A 147 LYS HD2 . 17850 1 1811 . 1 1 147 147 LYS HD3 H 1 1.536 0.000 . 2 . . . A 147 LYS HD3 . 17850 1 1812 . 1 1 147 147 LYS HE2 H 1 2.972 0.000 . 2 . . . A 147 LYS HE2 . 17850 1 1813 . 1 1 147 147 LYS HE3 H 1 2.972 0.000 . 2 . . . A 147 LYS HE3 . 17850 1 1814 . 1 1 147 147 LYS CA C 13 57.682 0.000 . 1 . . . A 147 LYS CA . 17850 1 1815 . 1 1 147 147 LYS CB C 13 32.758 0.007 . 1 . . . A 147 LYS CB . 17850 1 1816 . 1 1 147 147 LYS CG C 13 24.683 0.000 . 1 . . . A 147 LYS CG . 17850 1 1817 . 1 1 147 147 LYS CD C 13 29.083 0.000 . 1 . . . A 147 LYS CD . 17850 1 1818 . 1 1 147 147 LYS CE C 13 42.085 0.000 . 1 . . . A 147 LYS CE . 17850 1 1819 . 1 1 147 147 LYS N N 15 123.315 0.000 . 1 . . . A 147 LYS N . 17850 1 1820 . 1 1 148 148 GLY H H 1 8.353 0.000 . 1 . . . A 148 GLY H . 17850 1 1821 . 1 1 148 148 GLY HA2 H 1 3.874 0.000 . . . . . A 148 GLY HA2 . 17850 1 1822 . 1 1 148 148 GLY HA3 H 1 4.003 0.000 . 2 . . . A 148 GLY HA3 . 17850 1 1823 . 1 1 148 148 GLY C C 13 174.394 0.000 . 1 . . . A 148 GLY C . 17850 1 1824 . 1 1 148 148 GLY CA C 13 45.528 0.002 . 1 . . . A 148 GLY CA . 17850 1 1825 . 1 1 148 148 GLY N N 15 108.566 0.000 . 1 . . . A 148 GLY N . 17850 1 1826 . 1 1 149 149 SER H H 1 7.993 0.000 . 1 . . . A 149 SER H . 17850 1 1827 . 1 1 149 149 SER HA H 1 4.484 0.000 . 1 . . . A 149 SER HA . 17850 1 1828 . 1 1 149 149 SER HB2 H 1 3.893 0.000 . 2 . . . A 149 SER HB2 . 17850 1 1829 . 1 1 149 149 SER HB3 H 1 3.974 0.000 . 2 . . . A 149 SER HB3 . 17850 1 1830 . 1 1 149 149 SER C C 13 175.038 0.000 . 1 . . . A 149 SER C . 17850 1 1831 . 1 1 149 149 SER CA C 13 58.418 0.000 . 1 . . . A 149 SER CA . 17850 1 1832 . 1 1 149 149 SER CB C 13 64.171 0.004 . 1 . . . A 149 SER CB . 17850 1 1833 . 1 1 149 149 SER N N 15 115.356 0.000 . 1 . . . A 149 SER N . 17850 1 1834 . 1 1 150 150 SER H H 1 8.530 0.000 . 1 . . . A 150 SER H . 17850 1 1835 . 1 1 150 150 SER HA H 1 4.490 0.000 . 1 . . . A 150 SER HA . 17850 1 1836 . 1 1 150 150 SER HB2 H 1 3.871 0.000 . 2 . . . A 150 SER HB2 . 17850 1 1837 . 1 1 150 150 SER HB3 H 1 3.919 0.000 . 2 . . . A 150 SER HB3 . 17850 1 1838 . 1 1 150 150 SER C C 13 175.034 0.000 . 1 . . . A 150 SER C . 17850 1 1839 . 1 1 150 150 SER CA C 13 59.029 0.000 . 1 . . . A 150 SER CA . 17850 1 1840 . 1 1 150 150 SER CB C 13 63.407 0.008 . 1 . . . A 150 SER CB . 17850 1 1841 . 1 1 150 150 SER N N 15 118.028 0.000 . 1 . . . A 150 SER N . 17850 1 1842 . 1 1 151 151 THR H H 1 8.153 0.000 . 1 . . . A 151 THR H . 17850 1 1843 . 1 1 151 151 THR HA H 1 4.271 0.000 . 1 . . . A 151 THR HA . 17850 1 1844 . 1 1 151 151 THR HB H 1 4.215 0.000 . 1 . . . A 151 THR HB . 17850 1 1845 . 1 1 151 151 THR HG21 H 1 1.184 0.000 . . . . . A 151 THR HG21 . 17850 1 1846 . 1 1 151 151 THR HG22 H 1 1.184 0.000 . . . . . A 151 THR HG22 . 17850 1 1847 . 1 1 151 151 THR HG23 H 1 1.184 0.000 . . . . . A 151 THR HG23 . 17850 1 1848 . 1 1 151 151 THR C C 13 175.154 0.000 . 1 . . . A 151 THR C . 17850 1 1849 . 1 1 151 151 THR CA C 13 62.870 0.000 . 1 . . . A 151 THR CA . 17850 1 1850 . 1 1 151 151 THR CB C 13 69.521 0.000 . 1 . . . A 151 THR CB . 17850 1 1851 . 1 1 151 151 THR CG2 C 13 21.708 0.000 . 1 . . . A 151 THR CG2 . 17850 1 1852 . 1 1 151 151 THR N N 15 115.572 0.000 . 1 . . . A 151 THR N . 17850 1 1853 . 1 1 152 152 GLY H H 1 8.422 0.000 . 1 . . . A 152 GLY H . 17850 1 1854 . 1 1 152 152 GLY HA2 H 1 3.967 0.000 . . . . . A 152 GLY HA2 . 17850 1 1855 . 1 1 152 152 GLY HA3 H 1 4.121 0.000 . 2 . . . A 152 GLY HA3 . 17850 1 1856 . 1 1 152 152 GLY C C 13 174.591 0.000 . 1 . . . A 152 GLY C . 17850 1 1857 . 1 1 152 152 GLY CA C 13 45.614 0.006 . 1 . . . A 152 GLY CA . 17850 1 1858 . 1 1 152 152 GLY N N 15 110.802 0.000 . 1 . . . A 152 GLY N . 17850 1 1859 . 1 1 153 153 THR H H 1 8.136 0.000 . 1 . . . A 153 THR H . 17850 1 1860 . 1 1 153 153 THR HA H 1 4.148 0.000 . . . . . A 153 THR HA . 17850 1 1861 . 1 1 153 153 THR HB H 1 4.250 0.000 . . . . . A 153 THR HB . 17850 1 1862 . 1 1 153 153 THR HG21 H 1 1.249 0.000 . . . . . A 153 THR HG21 . 17850 1 1863 . 1 1 153 153 THR HG22 H 1 1.249 0.000 . . . . . A 153 THR HG22 . 17850 1 1864 . 1 1 153 153 THR HG23 H 1 1.249 0.000 . . . . . A 153 THR HG23 . 17850 1 1865 . 1 1 153 153 THR C C 13 176.005 0.000 . . . . . A 153 THR C . 17850 1 1866 . 1 1 153 153 THR CA C 13 64.113 0.000 . . . . . A 153 THR CA . 17850 1 1867 . 1 1 153 153 THR CB C 13 69.618 0.000 . . . . . A 153 THR CB . 17850 1 1868 . 1 1 153 153 THR CG2 C 13 21.781 0.000 . . . . . A 153 THR CG2 . 17850 1 1869 . 1 1 153 153 THR N N 15 114.025 0.000 . . . . . A 153 THR N . 17850 1 1870 . 1 1 154 154 ARG H H 1 8.498 0.000 . 1 . . . A 154 ARG H . 17850 1 1871 . 1 1 154 154 ARG HA H 1 4.292 0.000 . . . . . A 154 ARG HA . 17850 1 1872 . 1 1 154 154 ARG HB2 H 1 1.903 0.000 . . . . . A 154 ARG HB2 . 17850 1 1873 . 1 1 154 154 ARG HB3 H 1 1.903 0.000 . . . . . A 154 ARG HB3 . 17850 1 1874 . 1 1 154 154 ARG HG2 H 1 1.709 0.000 . . . . . A 154 ARG HG2 . 17850 1 1875 . 1 1 154 154 ARG HG3 H 1 1.709 0.000 . . . . . A 154 ARG HG3 . 17850 1 1876 . 1 1 154 154 ARG HD2 H 1 3.204 0.000 . . . . . A 154 ARG HD2 . 17850 1 1877 . 1 1 154 154 ARG HD3 H 1 3.204 0.000 . . . . . A 154 ARG HD3 . 17850 1 1878 . 1 1 154 154 ARG HE H 1 7.594 0.000 . . . . . A 154 ARG HE . 17850 1 1879 . 1 1 154 154 ARG C C 13 177.772 0.000 . . . . . A 154 ARG C . 17850 1 1880 . 1 1 154 154 ARG CA C 13 57.932 0.000 . . . . . A 154 ARG CA . 17850 1 1881 . 1 1 154 154 ARG CB C 13 30.031 0.000 . . . . . A 154 ARG CB . 17850 1 1882 . 1 1 154 154 ARG CG C 13 27.153 0.000 . . . . . A 154 ARG CG . 17850 1 1883 . 1 1 154 154 ARG CD C 13 43.125 0.000 . . . . . A 154 ARG CD . 17850 1 1884 . 1 1 154 154 ARG CZ C 13 159.771 0.000 . . . . . A 154 ARG CZ . 17850 1 1885 . 1 1 154 154 ARG N N 15 122.208 0.000 . . . . . A 154 ARG N . 17850 1 1886 . 1 1 154 154 ARG NE N 15 84.682 0.000 . . . . . A 154 ARG NE . 17850 1 1887 . 1 1 155 155 ARG H H 1 8.211 0.000 . 1 . . . A 155 ARG H . 17850 1 1888 . 1 1 155 155 ARG HA H 1 4.235 0.000 . . . . . A 155 ARG HA . 17850 1 1889 . 1 1 155 155 ARG HB2 H 1 1.862 0.000 . . . . . A 155 ARG HB2 . 17850 1 1890 . 1 1 155 155 ARG HB3 H 1 1.862 0.000 . . . . . A 155 ARG HB3 . 17850 1 1891 . 1 1 155 155 ARG HG2 H 1 1.649 0.000 . . . . . A 155 ARG HG2 . 17850 1 1892 . 1 1 155 155 ARG HG3 H 1 1.649 0.000 . . . . . A 155 ARG HG3 . 17850 1 1893 . 1 1 155 155 ARG HD2 H 1 3.170 0.000 . . . . . A 155 ARG HD2 . 17850 1 1894 . 1 1 155 155 ARG HD3 H 1 3.242 0.000 . . . . . A 155 ARG HD3 . 17850 1 1895 . 1 1 155 155 ARG HE H 1 7.683 0.000 . . . . . A 155 ARG HE . 17850 1 1896 . 1 1 155 155 ARG C C 13 177.473 0.000 . . . . . A 155 ARG C . 17850 1 1897 . 1 1 155 155 ARG CA C 13 57.077 0.000 . . . . . A 155 ARG CA . 17850 1 1898 . 1 1 155 155 ARG CB C 13 29.316 0.000 . . . . . A 155 ARG CB . 17850 1 1899 . 1 1 155 155 ARG CG C 13 27.469 0.000 . . . . . A 155 ARG CG . 17850 1 1900 . 1 1 155 155 ARG CD C 13 42.802 0.003 . . . . . A 155 ARG CD . 17850 1 1901 . 1 1 155 155 ARG CZ C 13 159.554 0.000 . . . . . A 155 ARG CZ . 17850 1 1902 . 1 1 155 155 ARG N N 15 120.243 0.000 . . . . . A 155 ARG N . 17850 1 1903 . 1 1 155 155 ARG NE N 15 83.640 0.000 . . . . . A 155 ARG NE . 17850 1 1904 . 1 1 156 156 LYS H H 1 8.018 0.000 . 1 . . . A 156 LYS H . 17850 1 1905 . 1 1 156 156 LYS HA H 1 3.921 0.000 . . . . . A 156 LYS HA . 17850 1 1906 . 1 1 156 156 LYS HB2 H 1 1.788 0.000 . . . . . A 156 LYS HB2 . 17850 1 1907 . 1 1 156 156 LYS HB3 H 1 1.788 0.000 . . . . . A 156 LYS HB3 . 17850 1 1908 . 1 1 156 156 LYS HG2 H 1 1.379 0.000 . . . . . A 156 LYS HG2 . 17850 1 1909 . 1 1 156 156 LYS HG3 H 1 1.479 0.000 . . . . . A 156 LYS HG3 . 17850 1 1910 . 1 1 156 156 LYS HD2 H 1 1.663 0.000 . . . . . A 156 LYS HD2 . 17850 1 1911 . 1 1 156 156 LYS HD3 H 1 1.663 0.000 . . . . . A 156 LYS HD3 . 17850 1 1912 . 1 1 156 156 LYS HE2 H 1 2.975 0.000 . . . . . A 156 LYS HE2 . 17850 1 1913 . 1 1 156 156 LYS HE3 H 1 2.975 0.000 . . . . . A 156 LYS HE3 . 17850 1 1914 . 1 1 156 156 LYS C C 13 178.034 0.000 . . . . . A 156 LYS C . 17850 1 1915 . 1 1 156 156 LYS CA C 13 59.552 0.000 . . . . . A 156 LYS CA . 17850 1 1916 . 1 1 156 156 LYS CB C 13 32.355 0.000 . . . . . A 156 LYS CB . 17850 1 1917 . 1 1 156 156 LYS CG C 13 25.319 0.002 . . . . . A 156 LYS CG . 17850 1 1918 . 1 1 156 156 LYS CD C 13 29.281 0.000 . . . . . A 156 LYS CD . 17850 1 1919 . 1 1 156 156 LYS CE C 13 42.159 0.000 . . . . . A 156 LYS CE . 17850 1 1920 . 1 1 156 156 LYS N N 15 120.590 0.000 . . . . . A 156 LYS N . 17850 1 1921 . 1 1 157 157 ALA H H 1 8.142 0.000 . 1 . . . A 157 ALA H . 17850 1 1922 . 1 1 157 157 ALA HA H 1 4.226 0.000 . . . . . A 157 ALA HA . 17850 1 1923 . 1 1 157 157 ALA HB1 H 1 1.508 0.000 . . . . . A 157 ALA HB1 . 17850 1 1924 . 1 1 157 157 ALA HB2 H 1 1.508 0.000 . . . . . A 157 ALA HB2 . 17850 1 1925 . 1 1 157 157 ALA HB3 H 1 1.508 0.000 . . . . . A 157 ALA HB3 . 17850 1 1926 . 1 1 157 157 ALA C C 13 180.092 0.000 . . . . . A 157 ALA C . 17850 1 1927 . 1 1 157 157 ALA CA C 13 54.871 0.000 . . . . . A 157 ALA CA . 17850 1 1928 . 1 1 157 157 ALA CB C 13 18.430 0.000 . . . . . A 157 ALA CB . 17850 1 1929 . 1 1 157 157 ALA N N 15 121.214 0.000 . . . . . A 157 ALA N . 17850 1 1930 . 1 1 158 158 LEU H H 1 7.943 0.000 . 1 . . . A 158 LEU H . 17850 1 1931 . 1 1 158 158 LEU HA H 1 3.983 0.000 . . . . . A 158 LEU HA . 17850 1 1932 . 1 1 158 158 LEU HB2 H 1 1.700 0.000 . . . . . A 158 LEU HB2 . 17850 1 1933 . 1 1 158 158 LEU HB3 H 1 1.731 0.000 . . . . . A 158 LEU HB3 . 17850 1 1934 . 1 1 158 158 LEU HD11 H 1 0.828 0.000 . . . . . A 158 LEU HD11 . 17850 1 1935 . 1 1 158 158 LEU HD12 H 1 0.828 0.000 . . . . . A 158 LEU HD12 . 17850 1 1936 . 1 1 158 158 LEU HD13 H 1 0.828 0.000 . . . . . A 158 LEU HD13 . 17850 1 1937 . 1 1 158 158 LEU HD21 H 1 0.899 0.000 . . . . . A 158 LEU HD21 . 17850 1 1938 . 1 1 158 158 LEU HD22 H 1 0.899 0.000 . . . . . A 158 LEU HD22 . 17850 1 1939 . 1 1 158 158 LEU HD23 H 1 0.899 0.000 . . . . . A 158 LEU HD23 . 17850 1 1940 . 1 1 158 158 LEU C C 13 178.356 0.000 . . . . . A 158 LEU C . 17850 1 1941 . 1 1 158 158 LEU CA C 13 58.253 0.000 . . . . . A 158 LEU CA . 17850 1 1942 . 1 1 158 158 LEU CB C 13 41.648 0.002 . . . . . A 158 LEU CB . 17850 1 1943 . 1 1 158 158 LEU CD1 C 13 24.944 0.000 . . . . . A 158 LEU CD1 . 17850 1 1944 . 1 1 158 158 LEU CD2 C 13 24.563 0.000 . . . . . A 158 LEU CD2 . 17850 1 1945 . 1 1 158 158 LEU N N 15 119.449 0.000 . . . . . A 158 LEU N . 17850 1 1946 . 1 1 159 159 ARG H H 1 8.235 0.000 . 1 . . . A 159 ARG H . 17850 1 1947 . 1 1 159 159 ARG HA H 1 3.695 0.000 . . . . . A 159 ARG HA . 17850 1 1948 . 1 1 159 159 ARG HB2 H 1 1.904 0.000 . . . . . A 159 ARG HB2 . 17850 1 1949 . 1 1 159 159 ARG HB3 H 1 1.904 0.000 . . . . . A 159 ARG HB3 . 17850 1 1950 . 1 1 159 159 ARG HG2 H 1 1.469 0.000 . . . . . A 159 ARG HG2 . 17850 1 1951 . 1 1 159 159 ARG HG3 H 1 1.604 0.000 . . . . . A 159 ARG HG3 . 17850 1 1952 . 1 1 159 159 ARG HD2 H 1 3.111 0.000 . . . . . A 159 ARG HD2 . 17850 1 1953 . 1 1 159 159 ARG HD3 H 1 3.160 0.000 . . . . . A 159 ARG HD3 . 17850 1 1954 . 1 1 159 159 ARG HE H 1 7.120 0.000 . . . . . A 159 ARG HE . 17850 1 1955 . 1 1 159 159 ARG C C 13 177.660 0.000 . . . . . A 159 ARG C . 17850 1 1956 . 1 1 159 159 ARG CA C 13 60.221 0.000 . . . . . A 159 ARG CA . 17850 1 1957 . 1 1 159 159 ARG CB C 13 29.327 0.000 . . . . . A 159 ARG CB . 17850 1 1958 . 1 1 159 159 ARG CG C 13 27.705 0.002 . . . . . A 159 ARG CG . 17850 1 1959 . 1 1 159 159 ARG CD C 13 43.508 0.001 . . . . . A 159 ARG CD . 17850 1 1960 . 1 1 159 159 ARG CZ C 13 175.401 0.000 . . . . . A 159 ARG CZ . 17850 1 1961 . 1 1 159 159 ARG N N 15 119.176 0.000 . . . . . A 159 ARG N . 17850 1 1962 . 1 1 159 159 ARG NE N 15 84.407 0.000 . . . . . A 159 ARG NE . 17850 1 1963 . 1 1 160 160 ASN H H 1 8.183 0.000 . 1 . . . A 160 ASN H . 17850 1 1964 . 1 1 160 160 ASN HA H 1 4.505 0.000 . . . . . A 160 ASN HA . 17850 1 1965 . 1 1 160 160 ASN HB2 H 1 2.607 0.000 . . . . . A 160 ASN HB2 . 17850 1 1966 . 1 1 160 160 ASN HB3 H 1 2.908 0.000 . . . . . A 160 ASN HB3 . 17850 1 1967 . 1 1 160 160 ASN HD21 H 1 6.921 0.000 . . . . . A 160 ASN HD21 . 17850 1 1968 . 1 1 160 160 ASN HD22 H 1 6.748 0.000 . . . . . A 160 ASN HD22 . 17850 1 1969 . 1 1 160 160 ASN C C 13 178.240 0.000 . . . . . A 160 ASN C . 17850 1 1970 . 1 1 160 160 ASN CA C 13 55.995 0.000 . . . . . A 160 ASN CA . 17850 1 1971 . 1 1 160 160 ASN CB C 13 37.820 0.010 . . . . . A 160 ASN CB . 17850 1 1972 . 1 1 160 160 ASN CG C 13 174.761 0.000 . . . . . A 160 ASN CG . 17850 1 1973 . 1 1 160 160 ASN N N 15 116.130 0.000 . . . . . A 160 ASN N . 17850 1 1974 . 1 1 160 160 ASN ND2 N 15 110.749 0.003 . . . . . A 160 ASN ND2 . 17850 1 1975 . 1 1 161 161 LYS H H 1 8.093 0.000 . 1 . . . A 161 LYS H . 17850 1 1976 . 1 1 161 161 LYS HA H 1 4.104 0.000 . . . . . A 161 LYS HA . 17850 1 1977 . 1 1 161 161 LYS HB2 H 1 1.771 0.000 . . . . . A 161 LYS HB2 . 17850 1 1978 . 1 1 161 161 LYS HB3 H 1 2.174 0.000 . . . . . A 161 LYS HB3 . 17850 1 1979 . 1 1 161 161 LYS HG2 H 1 1.451 0.000 . . . . . A 161 LYS HG2 . 17850 1 1980 . 1 1 161 161 LYS HG3 H 1 1.451 0.000 . . . . . A 161 LYS HG3 . 17850 1 1981 . 1 1 161 161 LYS HE2 H 1 2.872 0.000 . . . . . A 161 LYS HE2 . 17850 1 1982 . 1 1 161 161 LYS HE3 H 1 2.872 0.000 . . . . . A 161 LYS HE3 . 17850 1 1983 . 1 1 161 161 LYS C C 13 177.983 0.000 . . . . . A 161 LYS C . 17850 1 1984 . 1 1 161 161 LYS CA C 13 60.301 0.000 . . . . . A 161 LYS CA . 17850 1 1985 . 1 1 161 161 LYS CB C 13 32.865 0.001 . . . . . A 161 LYS CB . 17850 1 1986 . 1 1 161 161 LYS CG C 13 26.260 0.000 . . . . . A 161 LYS CG . 17850 1 1987 . 1 1 161 161 LYS CE C 13 42.266 0.000 . . . . . A 161 LYS CE . 17850 1 1988 . 1 1 161 161 LYS N N 15 120.590 0.000 . . . . . A 161 LYS N . 17850 1 1989 . 1 1 162 162 ILE H H 1 8.186 0.000 . 1 . . . A 162 ILE H . 17850 1 1990 . 1 1 162 162 ILE HA H 1 3.723 0.000 . . . . . A 162 ILE HA . 17850 1 1991 . 1 1 162 162 ILE HB H 1 1.982 0.000 . . . . . A 162 ILE HB . 17850 1 1992 . 1 1 162 162 ILE HG12 H 1 1.015 0.000 . . . . . A 162 ILE HG12 . 17850 1 1993 . 1 1 162 162 ILE HG13 H 1 1.932 0.000 . . . . . A 162 ILE HG13 . 17850 1 1994 . 1 1 162 162 ILE HG21 H 1 0.936 0.000 . . . . . A 162 ILE HG21 . 17850 1 1995 . 1 1 162 162 ILE HG22 H 1 0.936 0.000 . . . . . A 162 ILE HG22 . 17850 1 1996 . 1 1 162 162 ILE HG23 H 1 0.936 0.000 . . . . . A 162 ILE HG23 . 17850 1 1997 . 1 1 162 162 ILE HD11 H 1 0.717 0.000 . . . . . A 162 ILE HD11 . 17850 1 1998 . 1 1 162 162 ILE HD12 H 1 0.717 0.000 . . . . . A 162 ILE HD12 . 17850 1 1999 . 1 1 162 162 ILE HD13 H 1 0.717 0.000 . . . . . A 162 ILE HD13 . 17850 1 2000 . 1 1 162 162 ILE C C 13 177.752 0.000 . . . . . A 162 ILE C . 17850 1 2001 . 1 1 162 162 ILE CA C 13 65.927 0.000 . . . . . A 162 ILE CA . 17850 1 2002 . 1 1 162 162 ILE CB C 13 37.037 0.000 . . . . . A 162 ILE CB . 17850 1 2003 . 1 1 162 162 ILE CG1 C 13 29.652 0.004 . . . . . A 162 ILE CG1 . 17850 1 2004 . 1 1 162 162 ILE CG2 C 13 18.211 0.000 . . . . . A 162 ILE CG2 . 17850 1 2005 . 1 1 162 162 ILE CD1 C 13 13.197 0.000 . . . . . A 162 ILE CD1 . 17850 1 2006 . 1 1 162 162 ILE N N 15 118.542 0.000 . . . . . A 162 ILE N . 17850 1 2007 . 1 1 163 163 LEU H H 1 8.583 0.000 . 1 . . . A 163 LEU H . 17850 1 2008 . 1 1 163 163 LEU HA H 1 4.093 0.000 . . . . . A 163 LEU HA . 17850 1 2009 . 1 1 163 163 LEU HB2 H 1 1.599 0.000 . . . . . A 163 LEU HB2 . 17850 1 2010 . 1 1 163 163 LEU HB3 H 1 1.914 0.000 . . . . . A 163 LEU HB3 . 17850 1 2011 . 1 1 163 163 LEU HG H 1 1.806 0.000 . . . . . A 163 LEU HG . 17850 1 2012 . 1 1 163 163 LEU HD11 H 1 0.890 0.000 . . . . . A 163 LEU HD11 . 17850 1 2013 . 1 1 163 163 LEU HD12 H 1 0.890 0.000 . . . . . A 163 LEU HD12 . 17850 1 2014 . 1 1 163 163 LEU HD13 H 1 0.890 0.000 . . . . . A 163 LEU HD13 . 17850 1 2015 . 1 1 163 163 LEU HD21 H 1 0.931 0.000 . . . . . A 163 LEU HD21 . 17850 1 2016 . 1 1 163 163 LEU HD22 H 1 0.931 0.000 . . . . . A 163 LEU HD22 . 17850 1 2017 . 1 1 163 163 LEU HD23 H 1 0.931 0.000 . . . . . A 163 LEU HD23 . 17850 1 2018 . 1 1 163 163 LEU C C 13 179.291 0.000 . . . . . A 163 LEU C . 17850 1 2019 . 1 1 163 163 LEU CA C 13 58.063 0.000 . . . . . A 163 LEU CA . 17850 1 2020 . 1 1 163 163 LEU CB C 13 41.457 0.003 . . . . . A 163 LEU CB . 17850 1 2021 . 1 1 163 163 LEU CG C 13 27.159 0.000 . . . . . A 163 LEU CG . 17850 1 2022 . 1 1 163 163 LEU CD1 C 13 23.236 0.000 . . . . . A 163 LEU CD1 . 17850 1 2023 . 1 1 163 163 LEU CD2 C 13 24.976 0.000 . . . . . A 163 LEU CD2 . 17850 1 2024 . 1 1 163 163 LEU N N 15 119.699 0.000 . . . . . A 163 LEU N . 17850 1 2025 . 1 1 164 164 ALA H H 1 8.122 0.000 . 1 . . . A 164 ALA H . 17850 1 2026 . 1 1 164 164 ALA HA H 1 4.239 0.000 . . . . . A 164 ALA HA . 17850 1 2027 . 1 1 164 164 ALA HB1 H 1 1.769 0.000 . . . . . A 164 ALA HB1 . 17850 1 2028 . 1 1 164 164 ALA HB2 H 1 1.769 0.000 . . . . . A 164 ALA HB2 . 17850 1 2029 . 1 1 164 164 ALA HB3 H 1 1.769 0.000 . . . . . A 164 ALA HB3 . 17850 1 2030 . 1 1 164 164 ALA C C 13 179.530 0.000 . . . . . A 164 ALA C . 17850 1 2031 . 1 1 164 164 ALA CA C 13 55.857 0.000 . . . . . A 164 ALA CA . 17850 1 2032 . 1 1 164 164 ALA CB C 13 18.451 0.000 . . . . . A 164 ALA CB . 17850 1 2033 . 1 1 164 164 ALA N N 15 122.093 0.000 . . . . . A 164 ALA N . 17850 1 2034 . 1 1 165 165 ILE H H 1 8.192 0.000 . 1 . . . A 165 ILE H . 17850 1 2035 . 1 1 165 165 ILE HA H 1 3.647 0.000 . . . . . A 165 ILE HA . 17850 1 2036 . 1 1 165 165 ILE HB H 1 2.248 0.000 . . . . . A 165 ILE HB . 17850 1 2037 . 1 1 165 165 ILE HG12 H 1 1.083 0.000 . . . . . A 165 ILE HG12 . 17850 1 2038 . 1 1 165 165 ILE HG13 H 1 1.973 0.000 . . . . . A 165 ILE HG13 . 17850 1 2039 . 1 1 165 165 ILE HG21 H 1 0.871 0.000 . . . . . A 165 ILE HG21 . 17850 1 2040 . 1 1 165 165 ILE HG22 H 1 0.871 0.000 . . . . . A 165 ILE HG22 . 17850 1 2041 . 1 1 165 165 ILE HG23 H 1 0.871 0.000 . . . . . A 165 ILE HG23 . 17850 1 2042 . 1 1 165 165 ILE HD11 H 1 0.836 0.000 . . . . . A 165 ILE HD11 . 17850 1 2043 . 1 1 165 165 ILE HD12 H 1 0.836 0.000 . . . . . A 165 ILE HD12 . 17850 1 2044 . 1 1 165 165 ILE HD13 H 1 0.836 0.000 . . . . . A 165 ILE HD13 . 17850 1 2045 . 1 1 165 165 ILE C C 13 178.389 0.000 . . . . . A 165 ILE C . 17850 1 2046 . 1 1 165 165 ILE CA C 13 65.373 0.000 . . . . . A 165 ILE CA . 17850 1 2047 . 1 1 165 165 ILE CB C 13 37.867 0.000 . . . . . A 165 ILE CB . 17850 1 2048 . 1 1 165 165 ILE CG1 C 13 29.246 0.006 . . . . . A 165 ILE CG1 . 17850 1 2049 . 1 1 165 165 ILE CG2 C 13 17.907 0.000 . . . . . A 165 ILE CG2 . 17850 1 2050 . 1 1 165 165 ILE CD1 C 13 14.189 0.000 . . . . . A 165 ILE CD1 . 17850 1 2051 . 1 1 165 165 ILE N N 15 117.180 0.000 . . . . . A 165 ILE N . 17850 1 2052 . 1 1 166 166 ALA H H 1 8.844 0.000 . 1 . . . A 166 ALA H . 17850 1 2053 . 1 1 166 166 ALA HA H 1 4.034 0.000 . . . . . A 166 ALA HA . 17850 1 2054 . 1 1 166 166 ALA HB1 H 1 1.692 0.000 . . . . . A 166 ALA HB1 . 17850 1 2055 . 1 1 166 166 ALA HB2 H 1 1.692 0.000 . . . . . A 166 ALA HB2 . 17850 1 2056 . 1 1 166 166 ALA HB3 H 1 1.692 0.000 . . . . . A 166 ALA HB3 . 17850 1 2057 . 1 1 166 166 ALA C C 13 179.368 0.000 . . . . . A 166 ALA C . 17850 1 2058 . 1 1 166 166 ALA CA C 13 55.689 0.000 . . . . . A 166 ALA CA . 17850 1 2059 . 1 1 166 166 ALA CB C 13 18.642 0.000 . . . . . A 166 ALA CB . 17850 1 2060 . 1 1 166 166 ALA N N 15 124.182 0.000 . . . . . A 166 ALA N . 17850 1 2061 . 1 1 167 167 LYS H H 1 8.212 0.000 . 1 . . . A 167 LYS H . 17850 1 2062 . 1 1 167 167 LYS HA H 1 4.036 0.000 . . . . . A 167 LYS HA . 17850 1 2063 . 1 1 167 167 LYS HB2 H 1 1.841 0.000 . . . . . A 167 LYS HB2 . 17850 1 2064 . 1 1 167 167 LYS HB3 H 1 2.099 0.000 . . . . . A 167 LYS HB3 . 17850 1 2065 . 1 1 167 167 LYS HG2 H 1 1.595 0.000 . . . . . A 167 LYS HG2 . 17850 1 2066 . 1 1 167 167 LYS HG3 H 1 1.663 0.000 . . . . . A 167 LYS HG3 . 17850 1 2067 . 1 1 167 167 LYS HD2 H 1 1.727 0.000 . . . . . A 167 LYS HD2 . 17850 1 2068 . 1 1 167 167 LYS HD3 H 1 1.727 0.000 . . . . . A 167 LYS HD3 . 17850 1 2069 . 1 1 167 167 LYS HE2 H 1 2.902 0.000 . . . . . A 167 LYS HE2 . 17850 1 2070 . 1 1 167 167 LYS HE3 H 1 3.092 0.000 . . . . . A 167 LYS HE3 . 17850 1 2071 . 1 1 167 167 LYS C C 13 179.425 0.000 . . . . . A 167 LYS C . 17850 1 2072 . 1 1 167 167 LYS CA C 13 59.739 0.000 . . . . . A 167 LYS CA . 17850 1 2073 . 1 1 167 167 LYS CB C 13 32.340 0.000 . . . . . A 167 LYS CB . 17850 1 2074 . 1 1 167 167 LYS CG C 13 25.316 0.001 . . . . . A 167 LYS CG . 17850 1 2075 . 1 1 167 167 LYS CD C 13 29.030 0.000 . . . . . A 167 LYS CD . 17850 1 2076 . 1 1 167 167 LYS CE C 13 41.813 0.000 . . . . . A 167 LYS CE . 17850 1 2077 . 1 1 167 167 LYS N N 15 117.626 0.000 . . . . . A 167 LYS N . 17850 1 2078 . 1 1 168 168 VAL H H 1 8.174 0.000 . 1 . . . A 168 VAL H . 17850 1 2079 . 1 1 168 168 VAL HA H 1 3.696 0.000 . . . . . A 168 VAL HA . 17850 1 2080 . 1 1 168 168 VAL HB H 1 2.195 0.000 . . . . . A 168 VAL HB . 17850 1 2081 . 1 1 168 168 VAL HG11 H 1 0.954 0.000 . . . . . A 168 VAL HG11 . 17850 1 2082 . 1 1 168 168 VAL HG12 H 1 0.954 0.000 . . . . . A 168 VAL HG12 . 17850 1 2083 . 1 1 168 168 VAL HG13 H 1 0.954 0.000 . . . . . A 168 VAL HG13 . 17850 1 2084 . 1 1 168 168 VAL HG21 H 1 1.101 0.000 . . . . . A 168 VAL HG21 . 17850 1 2085 . 1 1 168 168 VAL HG22 H 1 1.101 0.000 . . . . . A 168 VAL HG22 . 17850 1 2086 . 1 1 168 168 VAL HG23 H 1 1.101 0.000 . . . . . A 168 VAL HG23 . 17850 1 2087 . 1 1 168 168 VAL C C 13 177.250 0.000 . . . . . A 168 VAL C . 17850 1 2088 . 1 1 168 168 VAL CA C 13 66.709 0.000 . . . . . A 168 VAL CA . 17850 1 2089 . 1 1 168 168 VAL CB C 13 31.774 0.000 . . . . . A 168 VAL CB . 17850 1 2090 . 1 1 168 168 VAL CG1 C 13 22.178 0.000 . . . . . A 168 VAL CG1 . 17850 1 2091 . 1 1 168 168 VAL CG2 C 13 22.619 0.000 . . . . . A 168 VAL CG2 . 17850 1 2092 . 1 1 168 168 VAL N N 15 118.030 0.000 . . . . . A 168 VAL N . 17850 1 2093 . 1 1 169 169 SER H H 1 8.614 0.000 . 1 . . . A 169 SER H . 17850 1 2094 . 1 1 169 169 SER HA H 1 4.133 0.000 . . . . . A 169 SER HA . 17850 1 2095 . 1 1 169 169 SER HB2 H 1 3.923 0.000 . . . . . A 169 SER HB2 . 17850 1 2096 . 1 1 169 169 SER HB3 H 1 3.977 0.000 . . . . . A 169 SER HB3 . 17850 1 2097 . 1 1 169 169 SER CA C 13 62.741 0.000 . . . . . A 169 SER CA . 17850 1 2098 . 1 1 169 169 SER CB C 13 62.860 0.000 . . . . . A 169 SER CB . 17850 1 2099 . 1 1 169 169 SER N N 15 114.720 0.000 . . . . . A 169 SER N . 17850 1 2100 . 1 1 170 170 ARG H H 1 8.227 0.000 . 1 . . . A 170 ARG H . 17850 1 2101 . 1 1 170 170 ARG HA H 1 4.112 0.000 . . . . . A 170 ARG HA . 17850 1 2102 . 1 1 170 170 ARG HB2 H 1 1.943 0.000 . . . . . A 170 ARG HB2 . 17850 1 2103 . 1 1 170 170 ARG HB3 H 1 2.133 0.000 . . . . . A 170 ARG HB3 . 17850 1 2104 . 1 1 170 170 ARG HG2 H 1 1.721 0.000 . . . . . A 170 ARG HG2 . 17850 1 2105 . 1 1 170 170 ARG HG3 H 1 1.721 0.000 . . . . . A 170 ARG HG3 . 17850 1 2106 . 1 1 170 170 ARG HD2 H 1 3.133 0.000 . . . . . A 170 ARG HD2 . 17850 1 2107 . 1 1 170 170 ARG HD3 H 1 3.259 0.000 . . . . . A 170 ARG HD3 . 17850 1 2108 . 1 1 170 170 ARG HE H 1 7.736 0.000 . . . . . A 170 ARG HE . 17850 1 2109 . 1 1 170 170 ARG C C 13 178.417 0.000 . . . . . A 170 ARG C . 17850 1 2110 . 1 1 170 170 ARG CA C 13 58.992 0.000 . . . . . A 170 ARG CA . 17850 1 2111 . 1 1 170 170 ARG CB C 13 30.011 0.008 . . . . . A 170 ARG CB . 17850 1 2112 . 1 1 170 170 ARG CG C 13 27.370 0.000 . . . . . A 170 ARG CG . 17850 1 2113 . 1 1 170 170 ARG CD C 13 43.352 0.008 . . . . . A 170 ARG CD . 17850 1 2114 . 1 1 170 170 ARG CZ C 13 159.536 0.000 . . . . . A 170 ARG CZ . 17850 1 2115 . 1 1 170 170 ARG N N 15 121.544 0.000 . . . . . A 170 ARG N . 17850 1 2116 . 1 1 170 170 ARG NE N 15 84.735 0.000 . . . . . A 170 ARG NE . 17850 1 2117 . 1 1 171 171 MET H H 1 8.045 0.000 . 1 . . . A 171 MET H . 17850 1 2118 . 1 1 171 171 MET HA H 1 3.992 0.000 . . . . . A 171 MET HA . 17850 1 2119 . 1 1 171 171 MET HB2 H 1 2.040 0.000 . . . . . A 171 MET HB2 . 17850 1 2120 . 1 1 171 171 MET HB3 H 1 2.110 0.000 . . . . . A 171 MET HB3 . 17850 1 2121 . 1 1 171 171 MET HG2 H 1 2.307 0.000 . . . . . A 171 MET HG2 . 17850 1 2122 . 1 1 171 171 MET HG3 H 1 2.563 0.000 . . . . . A 171 MET HG3 . 17850 1 2123 . 1 1 171 171 MET HE1 H 1 1.786 0.000 . . . . . A 171 MET HE1 . 17850 1 2124 . 1 1 171 171 MET HE2 H 1 1.786 0.000 . . . . . A 171 MET HE2 . 17850 1 2125 . 1 1 171 171 MET HE3 H 1 1.786 0.000 . . . . . A 171 MET HE3 . 17850 1 2126 . 1 1 171 171 MET C C 13 177.844 0.000 . . . . . A 171 MET C . 17850 1 2127 . 1 1 171 171 MET CA C 13 59.167 0.000 . . . . . A 171 MET CA . 17850 1 2128 . 1 1 171 171 MET CB C 13 33.262 0.002 . . . . . A 171 MET CB . 17850 1 2129 . 1 1 171 171 MET CG C 13 32.261 0.001 . . . . . A 171 MET CG . 17850 1 2130 . 1 1 171 171 MET CE C 13 16.846 0.000 . . . . . A 171 MET CE . 17850 1 2131 . 1 1 171 171 MET N N 15 119.165 0.000 . . . . . A 171 MET N . 17850 1 2132 . 1 1 172 172 PHE H H 1 8.001 0.000 . 1 . . . A 172 PHE H . 17850 1 2133 . 1 1 172 172 PHE HA H 1 4.460 0.000 . . . . . A 172 PHE HA . 17850 1 2134 . 1 1 172 172 PHE HB2 H 1 3.113 0.000 . . . . . A 172 PHE HB2 . 17850 1 2135 . 1 1 172 172 PHE HB3 H 1 3.275 0.000 . . . . . A 172 PHE HB3 . 17850 1 2136 . 1 1 172 172 PHE HD1 H 1 7.266 0.000 . . . . . A 172 PHE HD1 . 17850 1 2137 . 1 1 172 172 PHE HD2 H 1 7.266 0.000 . . . . . A 172 PHE HD2 . 17850 1 2138 . 1 1 172 172 PHE HE1 H 1 7.246 0.000 . . . . . A 172 PHE HE1 . 17850 1 2139 . 1 1 172 172 PHE HE2 H 1 7.246 0.000 . . . . . A 172 PHE HE2 . 17850 1 2140 . 1 1 172 172 PHE HZ H 1 7.158 0.000 . . . . . A 172 PHE HZ . 17850 1 2141 . 1 1 172 172 PHE C C 13 177.191 0.000 . . . . . A 172 PHE C . 17850 1 2142 . 1 1 172 172 PHE CA C 13 59.827 0.000 . . . . . A 172 PHE CA . 17850 1 2143 . 1 1 172 172 PHE CB C 13 38.929 0.000 . . . . . A 172 PHE CB . 17850 1 2144 . 1 1 172 172 PHE CD2 C 13 130.731 0.000 . . . . . A 172 PHE CD2 . 17850 1 2145 . 1 1 172 172 PHE CE2 C 13 132.073 0.000 . . . . . A 172 PHE CE2 . 17850 1 2146 . 1 1 172 172 PHE N N 15 116.089 0.000 . . . . . A 172 PHE N . 17850 1 2147 . 1 1 173 173 SER H H 1 8.026 0.000 . 1 . . . A 173 SER H . 17850 1 2148 . 1 1 173 173 SER HA H 1 4.164 0.000 . . . . . A 173 SER HA . 17850 1 2149 . 1 1 173 173 SER HB2 H 1 4.042 0.000 . . . . . A 173 SER HB2 . 17850 1 2150 . 1 1 173 173 SER HB3 H 1 4.042 0.000 . . . . . A 173 SER HB3 . 17850 1 2151 . 1 1 173 173 SER C C 13 176.080 0.000 . . . . . A 173 SER C . 17850 1 2152 . 1 1 173 173 SER CA C 13 61.075 0.000 . . . . . A 173 SER CA . 17850 1 2153 . 1 1 173 173 SER CB C 13 63.383 0.000 . . . . . A 173 SER CB . 17850 1 2154 . 1 1 173 173 SER N N 15 114.738 0.000 . . . . . A 173 SER N . 17850 1 2155 . 1 1 174 174 VAL H H 1 7.541 0.000 . 1 . . . A 174 VAL H . 17850 1 2156 . 1 1 174 174 VAL HA H 1 4.199 0.000 . . . . . A 174 VAL HA . 17850 1 2157 . 1 1 174 174 VAL HB H 1 2.283 0.000 . . . . . A 174 VAL HB . 17850 1 2158 . 1 1 174 174 VAL HG11 H 1 0.949 0.000 . . . . . A 174 VAL HG11 . 17850 1 2159 . 1 1 174 174 VAL HG12 H 1 0.949 0.000 . . . . . A 174 VAL HG12 . 17850 1 2160 . 1 1 174 174 VAL HG13 H 1 0.949 0.000 . . . . . A 174 VAL HG13 . 17850 1 2161 . 1 1 174 174 VAL HG21 H 1 0.987 0.000 . . . . . A 174 VAL HG21 . 17850 1 2162 . 1 1 174 174 VAL HG22 H 1 0.987 0.000 . . . . . A 174 VAL HG22 . 17850 1 2163 . 1 1 174 174 VAL HG23 H 1 0.987 0.000 . . . . . A 174 VAL HG23 . 17850 1 2164 . 1 1 174 174 VAL C C 13 176.740 0.000 . . . . . A 174 VAL C . 17850 1 2165 . 1 1 174 174 VAL CA C 13 63.078 0.000 . . . . . A 174 VAL CA . 17850 1 2166 . 1 1 174 174 VAL CB C 13 31.805 0.000 . . . . . A 174 VAL CB . 17850 1 2167 . 1 1 174 174 VAL CG1 C 13 21.238 0.000 . . . . . A 174 VAL CG1 . 17850 1 2168 . 1 1 174 174 VAL CG2 C 13 20.560 0.000 . . . . . A 174 VAL CG2 . 17850 1 2169 . 1 1 174 174 VAL N N 15 116.210 0.000 . . . . . A 174 VAL N . 17850 1 2170 . 1 1 175 175 LEU H H 1 7.549 0.000 . 1 . . . A 175 LEU H . 17850 1 2171 . 1 1 175 175 LEU HA H 1 4.291 0.000 . . . . . A 175 LEU HA . 17850 1 2172 . 1 1 175 175 LEU HB2 H 1 1.663 0.000 . . . . . A 175 LEU HB2 . 17850 1 2173 . 1 1 175 175 LEU HB3 H 1 1.788 0.000 . . . . . A 175 LEU HB3 . 17850 1 2174 . 1 1 175 175 LEU HG H 1 1.873 0.000 . . . . . A 175 LEU HG . 17850 1 2175 . 1 1 175 175 LEU HD11 H 1 0.870 0.000 . . . . . A 175 LEU HD11 . 17850 1 2176 . 1 1 175 175 LEU HD12 H 1 0.870 0.000 . . . . . A 175 LEU HD12 . 17850 1 2177 . 1 1 175 175 LEU HD13 H 1 0.870 0.000 . . . . . A 175 LEU HD13 . 17850 1 2178 . 1 1 175 175 LEU HD21 H 1 0.929 0.000 . . . . . A 175 LEU HD21 . 17850 1 2179 . 1 1 175 175 LEU HD22 H 1 0.929 0.000 . . . . . A 175 LEU HD22 . 17850 1 2180 . 1 1 175 175 LEU HD23 H 1 0.929 0.000 . . . . . A 175 LEU HD23 . 17850 1 2181 . 1 1 175 175 LEU C C 13 176.663 0.000 . . . . . A 175 LEU C . 17850 1 2182 . 1 1 175 175 LEU CA C 13 55.719 0.000 . . . . . A 175 LEU CA . 17850 1 2183 . 1 1 175 175 LEU CB C 13 42.552 0.003 . . . . . A 175 LEU CB . 17850 1 2184 . 1 1 175 175 LEU CG C 13 26.623 0.000 . . . . . A 175 LEU CG . 17850 1 2185 . 1 1 175 175 LEU CD1 C 13 23.183 0.000 . . . . . A 175 LEU CD1 . 17850 1 2186 . 1 1 175 175 LEU CD2 C 13 26.107 0.000 . . . . . A 175 LEU CD2 . 17850 1 2187 . 1 1 175 175 LEU N N 15 121.383 0.000 . . . . . A 175 LEU N . 17850 1 2188 . 1 1 176 176 ARG H H 1 7.436 0.000 . 1 . . . A 176 ARG H . 17850 1 2189 . 1 1 176 176 ARG HA H 1 4.155 0.000 . . . . . A 176 ARG HA . 17850 1 2190 . 1 1 176 176 ARG HB2 H 1 1.699 0.000 . . . . . A 176 ARG HB2 . 17850 1 2191 . 1 1 176 176 ARG HB3 H 1 1.804 0.000 . . . . . A 176 ARG HB3 . 17850 1 2192 . 1 1 176 176 ARG HG2 H 1 1.516 0.000 . . . . . A 176 ARG HG2 . 17850 1 2193 . 1 1 176 176 ARG HG3 H 1 1.552 0.000 . . . . . A 176 ARG HG3 . 17850 1 2194 . 1 1 176 176 ARG HD2 H 1 2.994 0.000 . . . . . A 176 ARG HD2 . 17850 1 2195 . 1 1 176 176 ARG HD3 H 1 3.114 0.000 . . . . . A 176 ARG HD3 . 17850 1 2196 . 1 1 176 176 ARG HE H 1 7.557 0.000 . . . . . A 176 ARG HE . 17850 1 2197 . 1 1 176 176 ARG HH11 H 1 6.775 0.000 . . . . . A 176 ARG HH11 . 17850 1 2198 . 1 1 176 176 ARG CA C 13 57.501 0.000 . . . . . A 176 ARG CA . 17850 1 2199 . 1 1 176 176 ARG CB C 13 31.627 0.007 . . . . . A 176 ARG CB . 17850 1 2200 . 1 1 176 176 ARG CG C 13 27.212 0.004 . . . . . A 176 ARG CG . 17850 1 2201 . 1 1 176 176 ARG CD C 13 43.624 0.000 . . . . . A 176 ARG CD . 17850 1 2202 . 1 1 176 176 ARG CZ C 13 159.689 0.000 . . . . . A 176 ARG CZ . 17850 1 2203 . 1 1 176 176 ARG N N 15 124.710 0.000 . . . . . A 176 ARG N . 17850 1 2204 . 1 1 176 176 ARG NE N 15 85.700 0.000 . . . . . A 176 ARG NE . 17850 1 stop_ save_