data_17202 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17202 _Entry.Title ; Solution structure of tandem SH2 domain from Spt6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-22 _Entry.Accession_date 2010-09-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 21 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 Jianping Liu . . . 17202 2 Jiahai Zhang . . . 17202 3 Jihui Wu . . . 17202 4 Yunyu Shi . . . 17202 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' . 17202 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SH2 . 17202 Spt6 . 17202 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17202 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 611 17202 '15N chemical shifts' 207 17202 '1H chemical shifts' 1342 17202 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 . . 2012-03-13 2010-09-22 update BMRB 'update entry citation' 17202 1 . . 2011-06-21 2010-09-22 original author 'original release' 17202 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L3T 'BMRB Entry Tracking System' 17202 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17202 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21676864 _Citation.Full_citation . _Citation.Title 'Solution structure of tandem SH2 domains from Spt6 protein and their binding to the phosphorylated RNA polymerase II C-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 33 _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 29218 _Citation.Page_last 29226 _Citation.Year 2011 _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 Jianping Liu . . . 17202 1 2 Jiahai Zhang . . . 17202 1 3 Qingguo Gong . . . 17202 1 4 Peng Xiong . . . 17202 1 5 Hongda Huang . . . 17202 1 6 Bo Wu . . . 17202 1 7 Guowei Lu . . . 17202 1 8 Jihui Wu . . . 17202 1 9 Yunyu Shi . . . 17202 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SH2 17202 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17202 _Assembly.ID 1 _Assembly.Name 'Tandem SH2 domains of Spt6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Tandem SH2 domains of Spt6' 1 $entity A . yes native no no . . . 17202 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17202 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tandem SH2 domains of Spt6' _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 ; THRVINHPYYFPFNGRQAED YLRSKERGEFVIRQSSRGDD HLVITWKLDKDLFQHIDIQE LEKENPLALGKVLIVDNQKY NDLDQIIVEYLQNKVRLLNE MTSSEKFKSGTKKDVVKFIE DYSRVNPNKSVYYFSLNHDN PGWFYLMFKINANSKLYTWN VKLTNTGYFLVNYNYPSVIQ LCNGFKTLLKSLEHHHHHH ; _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 47542.332 _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 2L3T . "Solution Structure Of Tandem Sh2 Domain From Spt6" . . . . . 100.00 199 100.00 100.00 1.84e-143 . . . . 17202 1 2 no PDB 3PSI . "Crystal Structure Of The Spt6 Core Domain From Saccharomyces Cerevisiae, Form Spt6(239-1451)" . . . . . 95.98 1219 100.00 100.00 1.79e-127 . . . . 17202 1 3 no PDB 3PSJ . "Crystal Structure Of The Spt6 Tandem Sh2 Domain From Saccharomyces Cerevisiae, Form Se-Spt6 (1247-1451)" . . . . . 95.98 210 98.95 98.95 3.60e-134 . . . . 17202 1 4 no PDB 3PSK . "Crystal Structure Of The Spt6 Tandem Sh2 Domain From Saccharomyces Cerevisiae, Form Native Spt6 (1247-1451)" . . . . . 95.98 211 100.00 100.00 1.43e-136 . . . . 17202 1 5 no DBJ GAA23491 . "K7_Spt6p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.98 1451 99.48 100.00 3.17e-126 . . . . 17202 1 6 no EMBL CAA97124 . "SPT6 [Saccharomyces cerevisiae]" . . . . . 95.98 1451 100.00 100.00 4.53e-127 . . . . 17202 1 7 no EMBL CAA97127 . "SPT6 [Saccharomyces cerevisiae]" . . . . . 95.98 1367 100.00 100.00 3.73e-127 . . . . 17202 1 8 no GB AAA35086 . "SPT6 protein [Saccharomyces cerevisiae]" . . . . . 95.98 1451 100.00 100.00 4.53e-127 . . . . 17202 1 9 no GB AJP38891 . "Spt6p [Saccharomyces cerevisiae YJM1078]" . . . . . 95.98 1451 98.95 99.48 1.55e-125 . . . . 17202 1 10 no GB AJR76211 . "Spt6p [Saccharomyces cerevisiae YJM189]" . . . . . 95.98 1451 99.48 100.00 3.51e-126 . . . . 17202 1 11 no GB AJR76711 . "Spt6p [Saccharomyces cerevisiae YJM193]" . . . . . 95.98 1451 99.48 100.00 4.05e-126 . . . . 17202 1 12 no GB AJR77209 . "Spt6p [Saccharomyces cerevisiae YJM195]" . . . . . 95.98 1451 99.48 100.00 3.17e-126 . . . . 17202 1 13 no REF NP_011631 . "chromatin-remodeling histone chaperone SPT6 [Saccharomyces cerevisiae S288c]" . . . . . 95.98 1451 100.00 100.00 4.53e-127 . . . . 17202 1 14 no SP P23615 . "RecName: Full=Transcription elongation factor SPT6; AltName: Full=Chromatin elongation factor SPT6" . . . . . 95.98 1451 100.00 100.00 4.53e-127 . . . . 17202 1 15 no TPG DAA08208 . "TPA: chromatin-remodeling histone chaperone SPT6 [Saccharomyces cerevisiae S288c]" . . . . . 95.98 1451 100.00 100.00 4.53e-127 . . . . 17202 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 . THR . 17202 1 2 . HIS . 17202 1 3 . ARG . 17202 1 4 . VAL . 17202 1 5 . ILE . 17202 1 6 . ASN . 17202 1 7 . HIS . 17202 1 8 . PRO . 17202 1 9 . TYR . 17202 1 10 . TYR . 17202 1 11 . PHE . 17202 1 12 . PRO . 17202 1 13 . PHE . 17202 1 14 . ASN . 17202 1 15 . GLY . 17202 1 16 . ARG . 17202 1 17 . GLN . 17202 1 18 . ALA . 17202 1 19 . GLU . 17202 1 20 . ASP . 17202 1 21 . TYR . 17202 1 22 . LEU . 17202 1 23 . ARG . 17202 1 24 . SER . 17202 1 25 . LYS . 17202 1 26 . GLU . 17202 1 27 . ARG . 17202 1 28 . GLY . 17202 1 29 . GLU . 17202 1 30 . PHE . 17202 1 31 . VAL . 17202 1 32 . ILE . 17202 1 33 . ARG . 17202 1 34 . GLN . 17202 1 35 . SER . 17202 1 36 . SER . 17202 1 37 . ARG . 17202 1 38 . GLY . 17202 1 39 . ASP . 17202 1 40 . ASP . 17202 1 41 . HIS . 17202 1 42 . LEU . 17202 1 43 . VAL . 17202 1 44 . ILE . 17202 1 45 . THR . 17202 1 46 . TRP . 17202 1 47 . LYS . 17202 1 48 . LEU . 17202 1 49 . ASP . 17202 1 50 . LYS . 17202 1 51 . ASP . 17202 1 52 . LEU . 17202 1 53 . PHE . 17202 1 54 . GLN . 17202 1 55 . HIS . 17202 1 56 . ILE . 17202 1 57 . ASP . 17202 1 58 . ILE . 17202 1 59 . GLN . 17202 1 60 . GLU . 17202 1 61 . LEU . 17202 1 62 . GLU . 17202 1 63 . LYS . 17202 1 64 . GLU . 17202 1 65 . ASN . 17202 1 66 . PRO . 17202 1 67 . LEU . 17202 1 68 . ALA . 17202 1 69 . LEU . 17202 1 70 . GLY . 17202 1 71 . LYS . 17202 1 72 . VAL . 17202 1 73 . LEU . 17202 1 74 . ILE . 17202 1 75 . VAL . 17202 1 76 . ASP . 17202 1 77 . ASN . 17202 1 78 . GLN . 17202 1 79 . LYS . 17202 1 80 . TYR . 17202 1 81 . ASN . 17202 1 82 . ASP . 17202 1 83 . LEU . 17202 1 84 . ASP . 17202 1 85 . GLN . 17202 1 86 . ILE . 17202 1 87 . ILE . 17202 1 88 . VAL . 17202 1 89 . GLU . 17202 1 90 . TYR . 17202 1 91 . LEU . 17202 1 92 . GLN . 17202 1 93 . ASN . 17202 1 94 . LYS . 17202 1 95 . VAL . 17202 1 96 . ARG . 17202 1 97 . LEU . 17202 1 98 . LEU . 17202 1 99 . ASN . 17202 1 100 . GLU . 17202 1 101 . MET . 17202 1 102 . THR . 17202 1 103 . SER . 17202 1 104 . SER . 17202 1 105 . GLU . 17202 1 106 . LYS . 17202 1 107 . PHE . 17202 1 108 . LYS . 17202 1 109 . SER . 17202 1 110 . GLY . 17202 1 111 . THR . 17202 1 112 . LYS . 17202 1 113 . LYS . 17202 1 114 . ASP . 17202 1 115 . VAL . 17202 1 116 . VAL . 17202 1 117 . LYS . 17202 1 118 . PHE . 17202 1 119 . ILE . 17202 1 120 . GLU . 17202 1 121 . ASP . 17202 1 122 . TYR . 17202 1 123 . SER . 17202 1 124 . ARG . 17202 1 125 . VAL . 17202 1 126 . ASN . 17202 1 127 . PRO . 17202 1 128 . ASN . 17202 1 129 . LYS . 17202 1 130 . SER . 17202 1 131 . VAL . 17202 1 132 . TYR . 17202 1 133 . TYR . 17202 1 134 . PHE . 17202 1 135 . SER . 17202 1 136 . LEU . 17202 1 137 . ASN . 17202 1 138 . HIS . 17202 1 139 . ASP . 17202 1 140 . ASN . 17202 1 141 . PRO . 17202 1 142 . GLY . 17202 1 143 . TRP . 17202 1 144 . PHE . 17202 1 145 . TYR . 17202 1 146 . LEU . 17202 1 147 . MET . 17202 1 148 . PHE . 17202 1 149 . LYS . 17202 1 150 . ILE . 17202 1 151 . ASN . 17202 1 152 . ALA . 17202 1 153 . ASN . 17202 1 154 . SER . 17202 1 155 . LYS . 17202 1 156 . LEU . 17202 1 157 . TYR . 17202 1 158 . THR . 17202 1 159 . TRP . 17202 1 160 . ASN . 17202 1 161 . VAL . 17202 1 162 . LYS . 17202 1 163 . LEU . 17202 1 164 . THR . 17202 1 165 . ASN . 17202 1 166 . THR . 17202 1 167 . GLY . 17202 1 168 . TYR . 17202 1 169 . PHE . 17202 1 170 . LEU . 17202 1 171 . VAL . 17202 1 172 . ASN . 17202 1 173 . TYR . 17202 1 174 . ASN . 17202 1 175 . TYR . 17202 1 176 . PRO . 17202 1 177 . SER . 17202 1 178 . VAL . 17202 1 179 . ILE . 17202 1 180 . GLN . 17202 1 181 . LEU . 17202 1 182 . CYS . 17202 1 183 . ASN . 17202 1 184 . GLY . 17202 1 185 . PHE . 17202 1 186 . LYS . 17202 1 187 . THR . 17202 1 188 . LEU . 17202 1 189 . LEU . 17202 1 190 . LYS . 17202 1 191 . SER . 17202 1 192 . LEU . 17202 1 193 . GLU . 17202 1 194 . HIS . 17202 1 195 . HIS . 17202 1 196 . HIS . 17202 1 197 . HIS . 17202 1 198 . HIS . 17202 1 199 . HIS . 17202 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 . THR 1 1 17202 1 . HIS 2 2 17202 1 . ARG 3 3 17202 1 . VAL 4 4 17202 1 . ILE 5 5 17202 1 . ASN 6 6 17202 1 . HIS 7 7 17202 1 . PRO 8 8 17202 1 . TYR 9 9 17202 1 . TYR 10 10 17202 1 . PHE 11 11 17202 1 . PRO 12 12 17202 1 . PHE 13 13 17202 1 . ASN 14 14 17202 1 . GLY 15 15 17202 1 . ARG 16 16 17202 1 . GLN 17 17 17202 1 . ALA 18 18 17202 1 . GLU 19 19 17202 1 . ASP 20 20 17202 1 . TYR 21 21 17202 1 . LEU 22 22 17202 1 . ARG 23 23 17202 1 . SER 24 24 17202 1 . LYS 25 25 17202 1 . GLU 26 26 17202 1 . ARG 27 27 17202 1 . GLY 28 28 17202 1 . GLU 29 29 17202 1 . PHE 30 30 17202 1 . VAL 31 31 17202 1 . ILE 32 32 17202 1 . ARG 33 33 17202 1 . GLN 34 34 17202 1 . SER 35 35 17202 1 . SER 36 36 17202 1 . ARG 37 37 17202 1 . GLY 38 38 17202 1 . ASP 39 39 17202 1 . ASP 40 40 17202 1 . HIS 41 41 17202 1 . LEU 42 42 17202 1 . VAL 43 43 17202 1 . ILE 44 44 17202 1 . THR 45 45 17202 1 . TRP 46 46 17202 1 . LYS 47 47 17202 1 . LEU 48 48 17202 1 . ASP 49 49 17202 1 . LYS 50 50 17202 1 . ASP 51 51 17202 1 . LEU 52 52 17202 1 . PHE 53 53 17202 1 . GLN 54 54 17202 1 . HIS 55 55 17202 1 . ILE 56 56 17202 1 . ASP 57 57 17202 1 . ILE 58 58 17202 1 . GLN 59 59 17202 1 . GLU 60 60 17202 1 . LEU 61 61 17202 1 . GLU 62 62 17202 1 . LYS 63 63 17202 1 . GLU 64 64 17202 1 . ASN 65 65 17202 1 . PRO 66 66 17202 1 . LEU 67 67 17202 1 . ALA 68 68 17202 1 . LEU 69 69 17202 1 . GLY 70 70 17202 1 . LYS 71 71 17202 1 . VAL 72 72 17202 1 . LEU 73 73 17202 1 . ILE 74 74 17202 1 . VAL 75 75 17202 1 . ASP 76 76 17202 1 . ASN 77 77 17202 1 . GLN 78 78 17202 1 . LYS 79 79 17202 1 . TYR 80 80 17202 1 . ASN 81 81 17202 1 . ASP 82 82 17202 1 . LEU 83 83 17202 1 . ASP 84 84 17202 1 . GLN 85 85 17202 1 . ILE 86 86 17202 1 . ILE 87 87 17202 1 . VAL 88 88 17202 1 . GLU 89 89 17202 1 . TYR 90 90 17202 1 . LEU 91 91 17202 1 . GLN 92 92 17202 1 . ASN 93 93 17202 1 . LYS 94 94 17202 1 . VAL 95 95 17202 1 . ARG 96 96 17202 1 . LEU 97 97 17202 1 . LEU 98 98 17202 1 . ASN 99 99 17202 1 . GLU 100 100 17202 1 . MET 101 101 17202 1 . THR 102 102 17202 1 . SER 103 103 17202 1 . SER 104 104 17202 1 . GLU 105 105 17202 1 . LYS 106 106 17202 1 . PHE 107 107 17202 1 . LYS 108 108 17202 1 . SER 109 109 17202 1 . GLY 110 110 17202 1 . THR 111 111 17202 1 . LYS 112 112 17202 1 . LYS 113 113 17202 1 . ASP 114 114 17202 1 . VAL 115 115 17202 1 . VAL 116 116 17202 1 . LYS 117 117 17202 1 . PHE 118 118 17202 1 . ILE 119 119 17202 1 . GLU 120 120 17202 1 . ASP 121 121 17202 1 . TYR 122 122 17202 1 . SER 123 123 17202 1 . ARG 124 124 17202 1 . VAL 125 125 17202 1 . ASN 126 126 17202 1 . PRO 127 127 17202 1 . ASN 128 128 17202 1 . LYS 129 129 17202 1 . SER 130 130 17202 1 . VAL 131 131 17202 1 . TYR 132 132 17202 1 . TYR 133 133 17202 1 . PHE 134 134 17202 1 . SER 135 135 17202 1 . LEU 136 136 17202 1 . ASN 137 137 17202 1 . HIS 138 138 17202 1 . ASP 139 139 17202 1 . ASN 140 140 17202 1 . PRO 141 141 17202 1 . GLY 142 142 17202 1 . TRP 143 143 17202 1 . PHE 144 144 17202 1 . TYR 145 145 17202 1 . LEU 146 146 17202 1 . MET 147 147 17202 1 . PHE 148 148 17202 1 . LYS 149 149 17202 1 . ILE 150 150 17202 1 . ASN 151 151 17202 1 . ALA 152 152 17202 1 . ASN 153 153 17202 1 . SER 154 154 17202 1 . LYS 155 155 17202 1 . LEU 156 156 17202 1 . TYR 157 157 17202 1 . THR 158 158 17202 1 . TRP 159 159 17202 1 . ASN 160 160 17202 1 . VAL 161 161 17202 1 . LYS 162 162 17202 1 . LEU 163 163 17202 1 . THR 164 164 17202 1 . ASN 165 165 17202 1 . THR 166 166 17202 1 . GLY 167 167 17202 1 . TYR 168 168 17202 1 . PHE 169 169 17202 1 . LEU 170 170 17202 1 . VAL 171 171 17202 1 . ASN 172 172 17202 1 . TYR 173 173 17202 1 . ASN 174 174 17202 1 . TYR 175 175 17202 1 . PRO 176 176 17202 1 . SER 177 177 17202 1 . VAL 178 178 17202 1 . ILE 179 179 17202 1 . GLN 180 180 17202 1 . LEU 181 181 17202 1 . CYS 182 182 17202 1 . ASN 183 183 17202 1 . GLY 184 184 17202 1 . PHE 185 185 17202 1 . LYS 186 186 17202 1 . THR 187 187 17202 1 . LEU 188 188 17202 1 . LEU 189 189 17202 1 . LYS 190 190 17202 1 . SER 191 191 17202 1 . LEU 192 192 17202 1 . GLU 193 193 17202 1 . HIS 194 194 17202 1 . HIS 195 195 17202 1 . HIS 196 196 17202 1 . HIS 197 197 17202 1 . HIS 198 198 17202 1 . HIS 199 199 17202 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17202 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17202 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 17202 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b(+) . . . . . . 17202 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17202 _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 17202 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17202 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17202 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17202 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17202 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17202 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17202 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 17202 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.175 . M 17202 1 pH 5.5 . pH 17202 1 pressure 1 . atm 17202 1 temperature 310 . K 17202 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17202 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.24 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17202 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17202 1 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 17202 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17202 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17202 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 17202 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17202 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 17202 _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 water protons . . . . ppm 4.658 internal indirect 0.251449530 . . . . . . . . . 17202 1 H 1 water protons . . . . ppm 4.658 internal direct 1.000000000 . . . . . . . . . 17202 1 N 15 water protons . . . . ppm 4.658 internal indirect 0.101329118 . . . . . . . . . 17202 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 17202 _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' . . . 17202 1 2 '3D HNCACB' . . . 17202 1 3 '3D CBCA(CO)NH' . . . 17202 1 4 '3D HNCO' . . . 17202 1 5 '3D HCACO' . . . 17202 1 6 '3D C(CO)NH' . . . 17202 1 7 '3D H(CCO)NH' . . . 17202 1 8 '3D HCCH-TOCSY' . . . 17202 1 9 '3D 1H-15N NOESY' . . . 17202 1 10 '3D 1H-13C NOESY' . . . 17202 1 11 '2D 1H-1H NOESY' . . . 17202 1 12 '2D 1H-1H TOCSY' . . . 17202 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 THR H H 1 7.148 0.003 1 1 . . . . 1 THR H . 17202 1 2 . 1 1 1 1 THR HA H 1 4.624 0.008 3 1 . . . . 1 THR HA . 17202 1 3 . 1 1 1 1 THR CA C 13 61.031 0.050 1 1 . . . . 1 THR CA . 17202 1 4 . 1 1 1 1 THR CB C 13 69.767 0.050 1 1 . . . . 1 THR CB . 17202 1 5 . 1 1 1 1 THR N N 15 121.997 0.300 1 1 . . . . 1 THR N . 17202 1 6 . 1 1 2 2 HIS H H 1 8.375 0.008 3 1 . . . . 2 HIS H . 17202 1 7 . 1 1 2 2 HIS HA H 1 4.828 0.008 6 1 . . . . 2 HIS HA . 17202 1 8 . 1 1 2 2 HIS HB2 H 1 3.188 0.006 3 1 . . . . 2 HIS HB2 . 17202 1 9 . 1 1 2 2 HIS HB3 H 1 3.188 0.006 3 1 . . . . 2 HIS HB3 . 17202 1 10 . 1 1 2 2 HIS C C 13 173.726 0.050 1 1 . . . . 2 HIS C . 17202 1 11 . 1 1 2 2 HIS CA C 13 55.616 0.074 2 1 . . . . 2 HIS CA . 17202 1 12 . 1 1 2 2 HIS CB C 13 29.621 0.008 2 1 . . . . 2 HIS CB . 17202 1 13 . 1 1 2 2 HIS N N 15 120.673 0.045 3 1 . . . . 2 HIS N . 17202 1 14 . 1 1 3 3 ARG H H 1 8.483 0.031 10 1 . . . . 3 ARG H . 17202 1 15 . 1 1 3 3 ARG HA H 1 4.312 0.009 9 1 . . . . 3 ARG HA . 17202 1 16 . 1 1 3 3 ARG HB2 H 1 1.677 0.013 8 1 . . . . 3 ARG HB2 . 17202 1 17 . 1 1 3 3 ARG HB3 H 1 1.677 0.013 8 1 . . . . 3 ARG HB3 . 17202 1 18 . 1 1 3 3 ARG HG2 H 1 1.443 0.010 3 1 . . . . 3 ARG HG2 . 17202 1 19 . 1 1 3 3 ARG HG3 H 1 1.443 0.010 3 1 . . . . 3 ARG HG3 . 17202 1 20 . 1 1 3 3 ARG C C 13 175.648 0.050 1 1 . . . . 3 ARG C . 17202 1 21 . 1 1 3 3 ARG CA C 13 56.001 0.050 1 1 . . . . 3 ARG CA . 17202 1 22 . 1 1 3 3 ARG CB C 13 31.347 0.050 1 1 . . . . 3 ARG CB . 17202 1 23 . 1 1 3 3 ARG N N 15 123.252 0.312 11 1 . . . . 3 ARG N . 17202 1 24 . 1 1 4 4 VAL H H 1 8.656 0.008 13 1 . . . . 4 VAL H . 17202 1 25 . 1 1 4 4 VAL HA H 1 3.951 0.011 10 1 . . . . 4 VAL HA . 17202 1 26 . 1 1 4 4 VAL HB H 1 1.879 0.007 8 1 . . . . 4 VAL HB . 17202 1 27 . 1 1 4 4 VAL HG11 H 1 0.771 0.002 5 2 . . . . 4 VAL MG1 . 17202 1 28 . 1 1 4 4 VAL HG12 H 1 0.771 0.002 5 2 . . . . 4 VAL MG1 . 17202 1 29 . 1 1 4 4 VAL HG13 H 1 0.771 0.002 5 2 . . . . 4 VAL MG1 . 17202 1 30 . 1 1 4 4 VAL HG21 H 1 0.483 0.010 3 2 . . . . 4 VAL MG2 . 17202 1 31 . 1 1 4 4 VAL HG22 H 1 0.483 0.010 3 2 . . . . 4 VAL MG2 . 17202 1 32 . 1 1 4 4 VAL HG23 H 1 0.483 0.010 3 2 . . . . 4 VAL MG2 . 17202 1 33 . 1 1 4 4 VAL C C 13 174.593 0.050 1 1 . . . . 4 VAL C . 17202 1 34 . 1 1 4 4 VAL CA C 13 62.527 0.045 2 1 . . . . 4 VAL CA . 17202 1 35 . 1 1 4 4 VAL CB C 13 32.846 0.073 2 1 . . . . 4 VAL CB . 17202 1 36 . 1 1 4 4 VAL CG1 C 13 20.838 0.050 1 1 . . . . 4 VAL CG1 . 17202 1 37 . 1 1 4 4 VAL CG2 C 13 20.838 0.050 1 1 . . . . 4 VAL CG2 . 17202 1 38 . 1 1 4 4 VAL N N 15 125.765 0.090 12 1 . . . . 4 VAL N . 17202 1 39 . 1 1 5 5 ILE H H 1 6.389 0.026 23 1 . . . . 5 ILE H . 17202 1 40 . 1 1 5 5 ILE HA H 1 3.927 0.006 7 1 . . . . 5 ILE HA . 17202 1 41 . 1 1 5 5 ILE HG12 H 1 0.783 0.010 6 1 . . . . 5 ILE HG12 . 17202 1 42 . 1 1 5 5 ILE HG13 H 1 0.783 0.010 6 1 . . . . 5 ILE HG13 . 17202 1 43 . 1 1 5 5 ILE HG21 H 1 0.491 0.007 5 1 . . . . 5 ILE MG . 17202 1 44 . 1 1 5 5 ILE HG22 H 1 0.491 0.007 5 1 . . . . 5 ILE MG . 17202 1 45 . 1 1 5 5 ILE HG23 H 1 0.491 0.007 5 1 . . . . 5 ILE MG . 17202 1 46 . 1 1 5 5 ILE HD11 H 1 0.516 0.003 2 1 . . . . 5 ILE MD . 17202 1 47 . 1 1 5 5 ILE HD12 H 1 0.516 0.003 2 1 . . . . 5 ILE MD . 17202 1 48 . 1 1 5 5 ILE HD13 H 1 0.516 0.003 2 1 . . . . 5 ILE MD . 17202 1 49 . 1 1 5 5 ILE C C 13 174.764 0.050 1 1 . . . . 5 ILE C . 17202 1 50 . 1 1 5 5 ILE CA C 13 58.797 0.050 1 1 . . . . 5 ILE CA . 17202 1 51 . 1 1 5 5 ILE CB C 13 38.208 0.050 1 1 . . . . 5 ILE CB . 17202 1 52 . 1 1 5 5 ILE N N 15 126.484 0.234 19 1 . . . . 5 ILE N . 17202 1 53 . 1 1 6 6 ASN H H 1 8.796 0.021 22 1 . . . . 6 ASN H . 17202 1 54 . 1 1 6 6 ASN HA H 1 4.700 0.017 13 1 . . . . 6 ASN HA . 17202 1 55 . 1 1 6 6 ASN HB2 H 1 2.808 0.005 9 2 . . . . 6 ASN HB2 . 17202 1 56 . 1 1 6 6 ASN HB3 H 1 2.603 0.008 12 2 . . . . 6 ASN HB3 . 17202 1 57 . 1 1 6 6 ASN HD21 H 1 7.475 0.035 8 2 . . . . 6 ASN HD21 . 17202 1 58 . 1 1 6 6 ASN HD22 H 1 6.725 0.036 8 2 . . . . 6 ASN HD22 . 17202 1 59 . 1 1 6 6 ASN C C 13 173.333 0.050 1 1 . . . . 6 ASN C . 17202 1 60 . 1 1 6 6 ASN CA C 13 52.216 0.043 2 1 . . . . 6 ASN CA . 17202 1 61 . 1 1 6 6 ASN CB C 13 37.406 0.004 2 1 . . . . 6 ASN CB . 17202 1 62 . 1 1 6 6 ASN N N 15 125.968 0.244 18 1 . . . . 6 ASN N . 17202 1 63 . 1 1 6 6 ASN ND2 N 15 112.226 0.494 5 1 . . . . 6 ASN ND2 . 17202 1 64 . 1 1 7 7 HIS H H 1 7.667 0.024 19 1 . . . . 7 HIS H . 17202 1 65 . 1 1 7 7 HIS HB2 H 1 2.999 0.042 4 1 . . . . 7 HIS HB2 . 17202 1 66 . 1 1 7 7 HIS HB3 H 1 2.999 0.042 4 1 . . . . 7 HIS HB3 . 17202 1 67 . 1 1 7 7 HIS HD2 H 1 7.155 0.003 1 1 . . . . 7 HIS HD2 . 17202 1 68 . 1 1 7 7 HIS N N 15 124.637 0.259 16 1 . . . . 7 HIS N . 17202 1 69 . 1 1 9 9 TYR H H 1 8.298 0.003 1 1 . . . . 9 TYR H . 17202 1 70 . 1 1 9 9 TYR HB2 H 1 2.503 0.001 2 1 . . . . 9 TYR HB2 . 17202 1 71 . 1 1 9 9 TYR HB3 H 1 2.503 0.001 2 1 . . . . 9 TYR HB3 . 17202 1 72 . 1 1 9 9 TYR C C 13 173.914 0.050 1 1 . . . . 9 TYR C . 17202 1 73 . 1 1 9 9 TYR CA C 13 58.098 0.050 1 1 . . . . 9 TYR CA . 17202 1 74 . 1 1 10 10 TYR H H 1 7.630 0.028 15 1 . . . . 10 TYR H . 17202 1 75 . 1 1 10 10 TYR HA H 1 5.410 0.011 11 1 . . . . 10 TYR HA . 17202 1 76 . 1 1 10 10 TYR HB2 H 1 3.007 0.010 2 1 . . . . 10 TYR HB2 . 17202 1 77 . 1 1 10 10 TYR HB3 H 1 3.007 0.010 2 1 . . . . 10 TYR HB3 . 17202 1 78 . 1 1 10 10 TYR HD1 H 1 6.781 0.010 7 1 . . . . 10 TYR HD1 . 17202 1 79 . 1 1 10 10 TYR HD2 H 1 6.781 0.010 7 1 . . . . 10 TYR HD2 . 17202 1 80 . 1 1 10 10 TYR HE1 H 1 6.604 0.025 7 1 . . . . 10 TYR HE1 . 17202 1 81 . 1 1 10 10 TYR HE2 H 1 6.604 0.025 7 1 . . . . 10 TYR HE2 . 17202 1 82 . 1 1 10 10 TYR C C 13 174.577 0.050 1 1 . . . . 10 TYR C . 17202 1 83 . 1 1 10 10 TYR CA C 13 57.155 0.050 1 1 . . . . 10 TYR CA . 17202 1 84 . 1 1 10 10 TYR CB C 13 40.083 0.050 1 1 . . . . 10 TYR CB . 17202 1 85 . 1 1 10 10 TYR N N 15 119.877 0.274 12 1 . . . . 10 TYR N . 17202 1 86 . 1 1 11 11 PHE H H 1 8.287 0.022 22 1 . . . . 11 PHE H . 17202 1 87 . 1 1 11 11 PHE HA H 1 4.181 0.003 1 1 . . . . 11 PHE HA . 17202 1 88 . 1 1 11 11 PHE HB2 H 1 2.480 0.002 2 2 . . . . 11 PHE HB2 . 17202 1 89 . 1 1 11 11 PHE HB3 H 1 2.357 0.003 1 2 . . . . 11 PHE HB3 . 17202 1 90 . 1 1 11 11 PHE HD1 H 1 6.717 0.004 3 1 . . . . 11 PHE HD1 . 17202 1 91 . 1 1 11 11 PHE HD2 H 1 6.717 0.004 3 1 . . . . 11 PHE HD2 . 17202 1 92 . 1 1 11 11 PHE HE1 H 1 7.036 0.015 4 1 . . . . 11 PHE HE1 . 17202 1 93 . 1 1 11 11 PHE HE2 H 1 7.036 0.015 4 1 . . . . 11 PHE HE2 . 17202 1 94 . 1 1 11 11 PHE N N 15 126.470 0.290 21 1 . . . . 11 PHE N . 17202 1 95 . 1 1 12 12 PRO HA H 1 4.628 0.003 2 1 . . . . 12 PRO HA . 17202 1 96 . 1 1 12 12 PRO HB2 H 1 2.412 0.052 2 1 . . . . 12 PRO HB2 . 17202 1 97 . 1 1 12 12 PRO HB3 H 1 2.412 0.052 2 1 . . . . 12 PRO HB3 . 17202 1 98 . 1 1 12 12 PRO HD2 H 1 3.738 0.003 1 1 . . . . 12 PRO HD2 . 17202 1 99 . 1 1 12 12 PRO HD3 H 1 3.738 0.003 1 1 . . . . 12 PRO HD3 . 17202 1 100 . 1 1 12 12 PRO C C 13 175.194 0.050 1 1 . . . . 12 PRO C . 17202 1 101 . 1 1 12 12 PRO CA C 13 62.136 0.031 2 1 . . . . 12 PRO CA . 17202 1 102 . 1 1 12 12 PRO CB C 13 28.333 0.029 2 1 . . . . 12 PRO CB . 17202 1 103 . 1 1 13 13 PHE H H 1 7.555 0.027 14 1 . . . . 13 PHE H . 17202 1 104 . 1 1 13 13 PHE HA H 1 5.316 0.009 4 1 . . . . 13 PHE HA . 17202 1 105 . 1 1 13 13 PHE HB2 H 1 2.474 0.003 1 1 . . . . 13 PHE HB2 . 17202 1 106 . 1 1 13 13 PHE HB3 H 1 2.474 0.003 1 1 . . . . 13 PHE HB3 . 17202 1 107 . 1 1 13 13 PHE HD1 H 1 6.638 0.013 9 1 . . . . 13 PHE HD1 . 17202 1 108 . 1 1 13 13 PHE HD2 H 1 6.638 0.013 9 1 . . . . 13 PHE HD2 . 17202 1 109 . 1 1 13 13 PHE C C 13 177.076 0.050 1 1 . . . . 13 PHE C . 17202 1 110 . 1 1 13 13 PHE CA C 13 52.691 0.050 1 1 . . . . 13 PHE CA . 17202 1 111 . 1 1 13 13 PHE CB C 13 42.492 0.050 1 1 . . . . 13 PHE CB . 17202 1 112 . 1 1 13 13 PHE N N 15 121.817 0.271 13 1 . . . . 13 PHE N . 17202 1 113 . 1 1 14 14 ASN H H 1 8.301 0.005 12 1 . . . . 14 ASN H . 17202 1 114 . 1 1 14 14 ASN HA H 1 4.946 0.016 9 1 . . . . 14 ASN HA . 17202 1 115 . 1 1 14 14 ASN HB2 H 1 3.350 0.010 6 2 . . . . 14 ASN HB2 . 17202 1 116 . 1 1 14 14 ASN HB3 H 1 2.890 0.004 4 2 . . . . 14 ASN HB3 . 17202 1 117 . 1 1 14 14 ASN HD21 H 1 7.406 0.032 9 2 . . . . 14 ASN HD21 . 17202 1 118 . 1 1 14 14 ASN HD22 H 1 6.807 0.034 9 2 . . . . 14 ASN HD22 . 17202 1 119 . 1 1 14 14 ASN C C 13 176.689 0.050 1 1 . . . . 14 ASN C . 17202 1 120 . 1 1 14 14 ASN CA C 13 51.307 0.054 3 1 . . . . 14 ASN CA . 17202 1 121 . 1 1 14 14 ASN CB C 13 38.207 0.050 1 1 . . . . 14 ASN CB . 17202 1 122 . 1 1 14 14 ASN N N 15 117.161 0.057 8 1 . . . . 14 ASN N . 17202 1 123 . 1 1 14 14 ASN ND2 N 15 110.218 0.126 5 1 . . . . 14 ASN ND2 . 17202 1 124 . 1 1 15 15 GLY H H 1 8.647 0.024 18 1 . . . . 15 GLY H . 17202 1 125 . 1 1 15 15 GLY HA2 H 1 3.858 0.009 5 2 . . . . 15 GLY HA2 . 17202 1 126 . 1 1 15 15 GLY HA3 H 1 3.459 0.016 7 2 . . . . 15 GLY HA3 . 17202 1 127 . 1 1 15 15 GLY C C 13 175.192 0.050 1 1 . . . . 15 GLY C . 17202 1 128 . 1 1 15 15 GLY CA C 13 48.718 0.050 1 1 . . . . 15 GLY CA . 17202 1 129 . 1 1 15 15 GLY N N 15 106.751 0.258 12 1 . . . . 15 GLY N . 17202 1 130 . 1 1 16 16 ARG H H 1 7.766 0.022 23 1 . . . . 16 ARG H . 17202 1 131 . 1 1 16 16 ARG HA H 1 3.889 0.007 7 1 . . . . 16 ARG HA . 17202 1 132 . 1 1 16 16 ARG HB2 H 1 1.754 0.009 9 1 . . . . 16 ARG HB2 . 17202 1 133 . 1 1 16 16 ARG HB3 H 1 1.754 0.009 9 1 . . . . 16 ARG HB3 . 17202 1 134 . 1 1 16 16 ARG HG2 H 1 1.588 0.006 6 1 . . . . 16 ARG HG2 . 17202 1 135 . 1 1 16 16 ARG HG3 H 1 1.588 0.006 6 1 . . . . 16 ARG HG3 . 17202 1 136 . 1 1 16 16 ARG HD2 H 1 3.158 0.005 8 1 . . . . 16 ARG HD2 . 17202 1 137 . 1 1 16 16 ARG HD3 H 1 3.158 0.005 8 1 . . . . 16 ARG HD3 . 17202 1 138 . 1 1 16 16 ARG C C 13 178.892 0.050 1 1 . . . . 16 ARG C . 17202 1 139 . 1 1 16 16 ARG CA C 13 58.648 0.050 1 1 . . . . 16 ARG CA . 17202 1 140 . 1 1 16 16 ARG CB C 13 29.227 0.023 2 1 . . . . 16 ARG CB . 17202 1 141 . 1 1 16 16 ARG CG C 13 26.994 0.050 1 1 . . . . 16 ARG CG . 17202 1 142 . 1 1 16 16 ARG CD C 13 42.890 0.050 1 1 . . . . 16 ARG CD . 17202 1 143 . 1 1 16 16 ARG N N 15 121.761 0.241 17 1 . . . . 16 ARG N . 17202 1 144 . 1 1 17 17 GLN H H 1 8.462 0.022 22 1 . . . . 17 GLN H . 17202 1 145 . 1 1 17 17 GLN HA H 1 3.768 0.007 8 1 . . . . 17 GLN HA . 17202 1 146 . 1 1 17 17 GLN HB2 H 1 2.193 0.010 5 1 . . . . 17 GLN HB2 . 17202 1 147 . 1 1 17 17 GLN HB3 H 1 2.193 0.010 5 1 . . . . 17 GLN HB3 . 17202 1 148 . 1 1 17 17 GLN HG2 H 1 2.486 0.010 5 1 . . . . 17 GLN HG2 . 17202 1 149 . 1 1 17 17 GLN HG3 H 1 2.486 0.010 5 1 . . . . 17 GLN HG3 . 17202 1 150 . 1 1 17 17 GLN HE21 H 1 7.434 0.056 2 2 . . . . 17 GLN HE21 . 17202 1 151 . 1 1 17 17 GLN HE22 H 1 6.788 0.041 5 2 . . . . 17 GLN HE22 . 17202 1 152 . 1 1 17 17 GLN C C 13 179.231 0.050 1 1 . . . . 17 GLN C . 17202 1 153 . 1 1 17 17 GLN CA C 13 57.987 0.005 2 1 . . . . 17 GLN CA . 17202 1 154 . 1 1 17 17 GLN CB C 13 27.988 0.050 1 1 . . . . 17 GLN CB . 17202 1 155 . 1 1 17 17 GLN N N 15 117.834 0.239 17 1 . . . . 17 GLN N . 17202 1 156 . 1 1 17 17 GLN NE2 N 15 111.646 0.002 2 1 . . . . 17 GLN NE2 . 17202 1 157 . 1 1 18 18 ALA H H 1 8.153 0.026 17 1 . . . . 18 ALA H . 17202 1 158 . 1 1 18 18 ALA HA H 1 3.784 0.010 3 1 . . . . 18 ALA HA . 17202 1 159 . 1 1 18 18 ALA HB1 H 1 1.460 0.009 10 1 . . . . 18 ALA MB . 17202 1 160 . 1 1 18 18 ALA HB2 H 1 1.460 0.009 10 1 . . . . 18 ALA MB . 17202 1 161 . 1 1 18 18 ALA HB3 H 1 1.460 0.009 10 1 . . . . 18 ALA MB . 17202 1 162 . 1 1 18 18 ALA C C 13 178.005 0.050 1 1 . . . . 18 ALA C . 17202 1 163 . 1 1 18 18 ALA CA C 13 54.955 0.050 1 1 . . . . 18 ALA CA . 17202 1 164 . 1 1 18 18 ALA CB C 13 18.957 0.009 2 1 . . . . 18 ALA CB . 17202 1 165 . 1 1 18 18 ALA N N 15 121.320 0.283 14 1 . . . . 18 ALA N . 17202 1 166 . 1 1 19 19 GLU H H 1 7.565 0.005 11 1 . . . . 19 GLU H . 17202 1 167 . 1 1 19 19 GLU HB2 H 1 2.534 0.014 4 1 . . . . 19 GLU HB2 . 17202 1 168 . 1 1 19 19 GLU HB3 H 1 2.534 0.014 4 1 . . . . 19 GLU HB3 . 17202 1 169 . 1 1 19 19 GLU C C 13 177.837 0.050 1 1 . . . . 19 GLU C . 17202 1 170 . 1 1 19 19 GLU CA C 13 59.718 0.048 2 1 . . . . 19 GLU CA . 17202 1 171 . 1 1 19 19 GLU CB C 13 28.144 0.050 1 1 . . . . 19 GLU CB . 17202 1 172 . 1 1 19 19 GLU CG C 13 36.348 0.050 1 1 . . . . 19 GLU CG . 17202 1 173 . 1 1 19 19 GLU N N 15 117.118 0.070 9 1 . . . . 19 GLU N . 17202 1 174 . 1 1 20 20 ASP H H 1 7.915 0.036 14 1 . . . . 20 ASP H . 17202 1 175 . 1 1 20 20 ASP HA H 1 4.184 0.005 4 1 . . . . 20 ASP HA . 17202 1 176 . 1 1 20 20 ASP HB2 H 1 2.506 0.005 4 1 . . . . 20 ASP HB2 . 17202 1 177 . 1 1 20 20 ASP HB3 H 1 2.506 0.005 4 1 . . . . 20 ASP HB3 . 17202 1 178 . 1 1 20 20 ASP C C 13 178.930 0.050 1 1 . . . . 20 ASP C . 17202 1 179 . 1 1 20 20 ASP CA C 13 57.381 0.050 1 1 . . . . 20 ASP CA . 17202 1 180 . 1 1 20 20 ASP CB C 13 40.061 0.086 2 1 . . . . 20 ASP CB . 17202 1 181 . 1 1 20 20 ASP N N 15 117.015 0.362 12 1 . . . . 20 ASP N . 17202 1 182 . 1 1 21 21 TYR H H 1 7.849 0.040 11 1 . . . . 21 TYR H . 17202 1 183 . 1 1 21 21 TYR HA H 1 3.961 0.011 7 1 . . . . 21 TYR HA . 17202 1 184 . 1 1 21 21 TYR HB2 H 1 2.703 0.011 4 1 . . . . 21 TYR HB2 . 17202 1 185 . 1 1 21 21 TYR HB3 H 1 2.703 0.011 4 1 . . . . 21 TYR HB3 . 17202 1 186 . 1 1 21 21 TYR HD1 H 1 6.802 0.009 4 1 . . . . 21 TYR HD1 . 17202 1 187 . 1 1 21 21 TYR HD2 H 1 6.802 0.009 4 1 . . . . 21 TYR HD2 . 17202 1 188 . 1 1 21 21 TYR HE1 H 1 6.644 0.004 3 1 . . . . 21 TYR HE1 . 17202 1 189 . 1 1 21 21 TYR HE2 H 1 6.644 0.004 3 1 . . . . 21 TYR HE2 . 17202 1 190 . 1 1 21 21 TYR C C 13 177.383 0.050 1 1 . . . . 21 TYR C . 17202 1 191 . 1 1 21 21 TYR CA C 13 61.097 0.050 1 1 . . . . 21 TYR CA . 17202 1 192 . 1 1 21 21 TYR CB C 13 39.174 0.050 1 1 . . . . 21 TYR CB . 17202 1 193 . 1 1 21 21 TYR N N 15 121.555 0.419 9 1 . . . . 21 TYR N . 17202 1 194 . 1 1 22 22 LEU H H 1 7.637 0.026 15 1 . . . . 22 LEU H . 17202 1 195 . 1 1 22 22 LEU HA H 1 3.894 0.003 1 1 . . . . 22 LEU HA . 17202 1 196 . 1 1 22 22 LEU HB2 H 1 1.911 0.003 1 1 . . . . 22 LEU HB2 . 17202 1 197 . 1 1 22 22 LEU HB3 H 1 1.911 0.003 1 1 . . . . 22 LEU HB3 . 17202 1 198 . 1 1 22 22 LEU HG H 1 1.493 0.003 1 1 . . . . 22 LEU HG . 17202 1 199 . 1 1 22 22 LEU HD11 H 1 0.814 0.006 7 1 . . . . 22 LEU MD1 . 17202 1 200 . 1 1 22 22 LEU HD12 H 1 0.814 0.006 7 1 . . . . 22 LEU MD1 . 17202 1 201 . 1 1 22 22 LEU HD13 H 1 0.814 0.006 7 1 . . . . 22 LEU MD1 . 17202 1 202 . 1 1 22 22 LEU HD21 H 1 0.814 0.006 7 1 . . . . 22 LEU MD2 . 17202 1 203 . 1 1 22 22 LEU HD22 H 1 0.814 0.006 7 1 . . . . 22 LEU MD2 . 17202 1 204 . 1 1 22 22 LEU HD23 H 1 0.814 0.006 7 1 . . . . 22 LEU MD2 . 17202 1 205 . 1 1 22 22 LEU C C 13 178.789 0.050 1 1 . . . . 22 LEU C . 17202 1 206 . 1 1 22 22 LEU CA C 13 55.189 0.050 1 1 . . . . 22 LEU CA . 17202 1 207 . 1 1 22 22 LEU CB C 13 43.859 0.050 1 1 . . . . 22 LEU CB . 17202 1 208 . 1 1 22 22 LEU N N 15 115.597 0.350 13 1 . . . . 22 LEU N . 17202 1 209 . 1 1 23 23 ARG H H 1 7.780 0.024 21 1 . . . . 23 ARG H . 17202 1 210 . 1 1 23 23 ARG HA H 1 4.083 0.006 5 1 . . . . 23 ARG HA . 17202 1 211 . 1 1 23 23 ARG HB2 H 1 2.238 0.007 5 2 . . . . 23 ARG HB2 . 17202 1 212 . 1 1 23 23 ARG HB3 H 1 1.899 0.010 2 2 . . . . 23 ARG HB3 . 17202 1 213 . 1 1 23 23 ARG HG2 H 1 1.479 0.003 1 1 . . . . 23 ARG HG2 . 17202 1 214 . 1 1 23 23 ARG HG3 H 1 1.479 0.003 1 1 . . . . 23 ARG HG3 . 17202 1 215 . 1 1 23 23 ARG HD2 H 1 3.433 0.003 2 1 . . . . 23 ARG HD2 . 17202 1 216 . 1 1 23 23 ARG HD3 H 1 3.433 0.003 2 1 . . . . 23 ARG HD3 . 17202 1 217 . 1 1 23 23 ARG CA C 13 61.311 0.050 1 1 . . . . 23 ARG CA . 17202 1 218 . 1 1 23 23 ARG CB C 13 29.919 0.050 1 1 . . . . 23 ARG CB . 17202 1 219 . 1 1 23 23 ARG N N 15 123.239 0.316 17 1 . . . . 23 ARG N . 17202 1 220 . 1 1 24 24 SER H H 1 8.035 0.001 2 1 . . . . 24 SER H . 17202 1 221 . 1 1 24 24 SER HA H 1 4.604 0.003 1 1 . . . . 24 SER HA . 17202 1 222 . 1 1 24 24 SER HB2 H 1 3.897 0.005 2 1 . . . . 24 SER HB2 . 17202 1 223 . 1 1 24 24 SER HB3 H 1 3.897 0.005 2 1 . . . . 24 SER HB3 . 17202 1 224 . 1 1 24 24 SER C C 13 174.330 0.050 1 1 . . . . 24 SER C . 17202 1 225 . 1 1 24 24 SER CA C 13 57.910 0.029 2 1 . . . . 24 SER CA . 17202 1 226 . 1 1 24 24 SER CB C 13 63.454 0.050 1 1 . . . . 24 SER CB . 17202 1 227 . 1 1 25 25 LYS H H 1 7.277 0.026 16 1 . . . . 25 LYS H . 17202 1 228 . 1 1 25 25 LYS HA H 1 4.487 0.011 6 1 . . . . 25 LYS HA . 17202 1 229 . 1 1 25 25 LYS HB2 H 1 2.446 0.003 7 2 . . . . 25 LYS HB2 . 17202 1 230 . 1 1 25 25 LYS HB3 H 1 1.995 0.010 6 2 . . . . 25 LYS HB3 . 17202 1 231 . 1 1 25 25 LYS HG2 H 1 1.242 0.012 6 1 . . . . 25 LYS HG2 . 17202 1 232 . 1 1 25 25 LYS HG3 H 1 1.242 0.012 6 1 . . . . 25 LYS HG3 . 17202 1 233 . 1 1 25 25 LYS HD2 H 1 1.464 0.009 10 1 . . . . 25 LYS HD2 . 17202 1 234 . 1 1 25 25 LYS HD3 H 1 1.464 0.009 10 1 . . . . 25 LYS HD3 . 17202 1 235 . 1 1 25 25 LYS HE2 H 1 2.688 0.002 3 1 . . . . 25 LYS HE2 . 17202 1 236 . 1 1 25 25 LYS HE3 H 1 2.688 0.002 3 1 . . . . 25 LYS HE3 . 17202 1 237 . 1 1 25 25 LYS C C 13 175.394 0.050 1 1 . . . . 25 LYS C . 17202 1 238 . 1 1 25 25 LYS CA C 13 54.259 0.050 1 1 . . . . 25 LYS CA . 17202 1 239 . 1 1 25 25 LYS CB C 13 32.742 0.122 2 1 . . . . 25 LYS CB . 17202 1 240 . 1 1 25 25 LYS CD C 13 27.839 0.050 1 1 . . . . 25 LYS CD . 17202 1 241 . 1 1 25 25 LYS N N 15 120.942 0.295 13 1 . . . . 25 LYS N . 17202 1 242 . 1 1 26 26 GLU H H 1 8.863 0.023 20 1 . . . . 26 GLU H . 17202 1 243 . 1 1 26 26 GLU HA H 1 4.341 0.007 9 1 . . . . 26 GLU HA . 17202 1 244 . 1 1 26 26 GLU HB2 H 1 2.189 0.006 5 1 . . . . 26 GLU HB2 . 17202 1 245 . 1 1 26 26 GLU HB3 H 1 2.189 0.006 5 1 . . . . 26 GLU HB3 . 17202 1 246 . 1 1 26 26 GLU HG2 H 1 2.463 0.002 6 2 . . . . 26 GLU HG2 . 17202 1 247 . 1 1 26 26 GLU HG3 H 1 2.356 0.012 6 2 . . . . 26 GLU HG3 . 17202 1 248 . 1 1 26 26 GLU C C 13 176.218 0.050 1 1 . . . . 26 GLU C . 17202 1 249 . 1 1 26 26 GLU CA C 13 55.880 0.048 2 1 . . . . 26 GLU CA . 17202 1 250 . 1 1 26 26 GLU CB C 13 30.268 0.826 2 1 . . . . 26 GLU CB . 17202 1 251 . 1 1 26 26 GLU CG C 13 36.259 0.050 1 1 . . . . 26 GLU CG . 17202 1 252 . 1 1 26 26 GLU N N 15 120.053 0.265 16 1 . . . . 26 GLU N . 17202 1 253 . 1 1 27 27 ARG H H 1 8.423 0.024 20 1 . . . . 27 ARG H . 17202 1 254 . 1 1 27 27 ARG HA H 1 3.684 0.005 2 1 . . . . 27 ARG HA . 17202 1 255 . 1 1 27 27 ARG HB2 H 1 1.660 0.003 1 1 . . . . 27 ARG HB2 . 17202 1 256 . 1 1 27 27 ARG HB3 H 1 1.660 0.003 1 1 . . . . 27 ARG HB3 . 17202 1 257 . 1 1 27 27 ARG HG2 H 1 1.513 0.003 1 1 . . . . 27 ARG HG2 . 17202 1 258 . 1 1 27 27 ARG HG3 H 1 1.513 0.003 1 1 . . . . 27 ARG HG3 . 17202 1 259 . 1 1 27 27 ARG HD2 H 1 3.297 0.003 1 2 . . . . 27 ARG HD2 . 17202 1 260 . 1 1 27 27 ARG HD3 H 1 3.179 0.003 1 2 . . . . 27 ARG HD3 . 17202 1 261 . 1 1 27 27 ARG N N 15 119.260 0.242 17 1 . . . . 27 ARG N . 17202 1 262 . 1 1 28 28 GLY H H 1 9.710 0.034 7 1 . . . . 28 GLY H . 17202 1 263 . 1 1 28 28 GLY HA2 H 1 4.595 0.013 5 2 . . . . 28 GLY HA2 . 17202 1 264 . 1 1 28 28 GLY HA3 H 1 3.806 0.016 3 2 . . . . 28 GLY HA3 . 17202 1 265 . 1 1 28 28 GLY C C 13 173.729 0.050 1 1 . . . . 28 GLY C . 17202 1 266 . 1 1 28 28 GLY CA C 13 45.557 0.050 1 1 . . . . 28 GLY CA . 17202 1 267 . 1 1 28 28 GLY N N 15 115.266 0.382 4 1 . . . . 28 GLY N . 17202 1 268 . 1 1 29 29 GLU H H 1 7.980 0.007 11 1 . . . . 29 GLU H . 17202 1 269 . 1 1 29 29 GLU HA H 1 4.443 0.016 9 1 . . . . 29 GLU HA . 17202 1 270 . 1 1 29 29 GLU HB2 H 1 2.185 0.002 4 1 . . . . 29 GLU HB2 . 17202 1 271 . 1 1 29 29 GLU HB3 H 1 2.185 0.002 4 1 . . . . 29 GLU HB3 . 17202 1 272 . 1 1 29 29 GLU HG2 H 1 2.525 0.002 5 2 . . . . 29 GLU HG2 . 17202 1 273 . 1 1 29 29 GLU HG3 H 1 2.197 0.006 6 2 . . . . 29 GLU HG3 . 17202 1 274 . 1 1 29 29 GLU C C 13 174.914 0.050 1 1 . . . . 29 GLU C . 17202 1 275 . 1 1 29 29 GLU CA C 13 58.610 0.060 2 1 . . . . 29 GLU CA . 17202 1 276 . 1 1 29 29 GLU CB C 13 29.650 0.050 1 1 . . . . 29 GLU CB . 17202 1 277 . 1 1 29 29 GLU CG C 13 38.311 0.050 1 1 . . . . 29 GLU CG . 17202 1 278 . 1 1 29 29 GLU N N 15 119.323 0.017 7 1 . . . . 29 GLU N . 17202 1 279 . 1 1 30 30 PHE H H 1 7.713 0.030 18 1 . . . . 30 PHE H . 17202 1 280 . 1 1 30 30 PHE HA H 1 6.046 0.008 3 1 . . . . 30 PHE HA . 17202 1 281 . 1 1 30 30 PHE HB2 H 1 3.000 0.010 3 1 . . . . 30 PHE HB2 . 17202 1 282 . 1 1 30 30 PHE HB3 H 1 3.000 0.010 3 1 . . . . 30 PHE HB3 . 17202 1 283 . 1 1 30 30 PHE HD1 H 1 7.044 0.012 4 1 . . . . 30 PHE HD1 . 17202 1 284 . 1 1 30 30 PHE HD2 H 1 7.044 0.012 4 1 . . . . 30 PHE HD2 . 17202 1 285 . 1 1 30 30 PHE HE1 H 1 6.758 0.012 9 1 . . . . 30 PHE HE1 . 17202 1 286 . 1 1 30 30 PHE HE2 H 1 6.758 0.012 9 1 . . . . 30 PHE HE2 . 17202 1 287 . 1 1 30 30 PHE C C 13 173.327 0.050 1 1 . . . . 30 PHE C . 17202 1 288 . 1 1 30 30 PHE CA C 13 56.002 0.050 1 1 . . . . 30 PHE CA . 17202 1 289 . 1 1 30 30 PHE CB C 13 44.170 0.050 1 1 . . . . 30 PHE CB . 17202 1 290 . 1 1 30 30 PHE N N 15 115.170 0.327 14 1 . . . . 30 PHE N . 17202 1 291 . 1 1 31 31 VAL H H 1 8.988 0.022 21 1 . . . . 31 VAL H . 17202 1 292 . 1 1 31 31 VAL HA H 1 4.962 0.012 7 1 . . . . 31 VAL HA . 17202 1 293 . 1 1 31 31 VAL HB H 1 2.299 0.010 3 1 . . . . 31 VAL HB . 17202 1 294 . 1 1 31 31 VAL HG11 H 1 0.893 0.008 11 1 . . . . 31 VAL MG1 . 17202 1 295 . 1 1 31 31 VAL HG12 H 1 0.893 0.008 11 1 . . . . 31 VAL MG1 . 17202 1 296 . 1 1 31 31 VAL HG13 H 1 0.893 0.008 11 1 . . . . 31 VAL MG1 . 17202 1 297 . 1 1 31 31 VAL HG21 H 1 0.893 0.008 11 1 . . . . 31 VAL MG2 . 17202 1 298 . 1 1 31 31 VAL HG22 H 1 0.893 0.008 11 1 . . . . 31 VAL MG2 . 17202 1 299 . 1 1 31 31 VAL HG23 H 1 0.893 0.008 11 1 . . . . 31 VAL MG2 . 17202 1 300 . 1 1 31 31 VAL C C 13 174.051 0.050 1 1 . . . . 31 VAL C . 17202 1 301 . 1 1 31 31 VAL CA C 13 59.897 0.050 1 1 . . . . 31 VAL CA . 17202 1 302 . 1 1 31 31 VAL CB C 13 35.934 0.050 1 1 . . . . 31 VAL CB . 17202 1 303 . 1 1 31 31 VAL CG1 C 13 24.061 0.050 1 1 . . . . 31 VAL CG1 . 17202 1 304 . 1 1 31 31 VAL CG2 C 13 24.061 0.050 1 1 . . . . 31 VAL CG2 . 17202 1 305 . 1 1 31 31 VAL N N 15 110.585 0.315 17 1 . . . . 31 VAL N . 17202 1 306 . 1 1 32 32 ILE H H 1 9.063 0.027 16 1 . . . . 32 ILE H . 17202 1 307 . 1 1 32 32 ILE HA H 1 5.115 0.009 5 1 . . . . 32 ILE HA . 17202 1 308 . 1 1 32 32 ILE HB H 1 1.651 0.008 8 1 . . . . 32 ILE HB . 17202 1 309 . 1 1 32 32 ILE HG21 H 1 1.008 0.009 8 1 . . . . 32 ILE MG . 17202 1 310 . 1 1 32 32 ILE HG22 H 1 1.008 0.009 8 1 . . . . 32 ILE MG . 17202 1 311 . 1 1 32 32 ILE HG23 H 1 1.008 0.009 8 1 . . . . 32 ILE MG . 17202 1 312 . 1 1 32 32 ILE HD11 H 1 0.568 0.002 8 1 . . . . 32 ILE MD . 17202 1 313 . 1 1 32 32 ILE HD12 H 1 0.568 0.002 8 1 . . . . 32 ILE MD . 17202 1 314 . 1 1 32 32 ILE HD13 H 1 0.568 0.002 8 1 . . . . 32 ILE MD . 17202 1 315 . 1 1 32 32 ILE C C 13 173.315 0.050 1 1 . . . . 32 ILE C . 17202 1 316 . 1 1 32 32 ILE CA C 13 60.432 0.050 1 1 . . . . 32 ILE CA . 17202 1 317 . 1 1 32 32 ILE CB C 13 39.274 0.050 1 1 . . . . 32 ILE CB . 17202 1 318 . 1 1 32 32 ILE N N 15 124.504 0.362 14 1 . . . . 32 ILE N . 17202 1 319 . 1 1 33 33 ARG H H 1 9.673 0.023 19 1 . . . . 33 ARG H . 17202 1 320 . 1 1 33 33 ARG HA H 1 3.365 0.003 1 1 . . . . 33 ARG HA . 17202 1 321 . 1 1 33 33 ARG HB2 H 1 1.450 0.006 2 1 . . . . 33 ARG HB2 . 17202 1 322 . 1 1 33 33 ARG HB3 H 1 1.450 0.006 2 1 . . . . 33 ARG HB3 . 17202 1 323 . 1 1 33 33 ARG HD2 H 1 3.145 0.003 1 1 . . . . 33 ARG HD2 . 17202 1 324 . 1 1 33 33 ARG HD3 H 1 3.145 0.003 1 1 . . . . 33 ARG HD3 . 17202 1 325 . 1 1 33 33 ARG C C 13 174.526 0.050 1 1 . . . . 33 ARG C . 17202 1 326 . 1 1 33 33 ARG CA C 13 54.154 0.050 1 1 . . . . 33 ARG CA . 17202 1 327 . 1 1 33 33 ARG CB C 13 32.773 0.050 1 1 . . . . 33 ARG CB . 17202 1 328 . 1 1 33 33 ARG N N 15 122.829 0.346 16 1 . . . . 33 ARG N . 17202 1 329 . 1 1 34 34 GLN H H 1 7.898 0.033 10 1 . . . . 34 GLN H . 17202 1 330 . 1 1 34 34 GLN HA H 1 4.663 0.009 10 1 . . . . 34 GLN HA . 17202 1 331 . 1 1 34 34 GLN HB2 H 1 2.220 0.011 8 1 . . . . 34 GLN HB2 . 17202 1 332 . 1 1 34 34 GLN HB3 H 1 2.220 0.011 8 1 . . . . 34 GLN HB3 . 17202 1 333 . 1 1 34 34 GLN HG2 H 1 2.445 0.007 7 1 . . . . 34 GLN HG2 . 17202 1 334 . 1 1 34 34 GLN HG3 H 1 2.445 0.007 7 1 . . . . 34 GLN HG3 . 17202 1 335 . 1 1 34 34 GLN HE21 H 1 7.396 0.003 1 2 . . . . 34 GLN HE21 . 17202 1 336 . 1 1 34 34 GLN HE22 H 1 6.878 0.042 5 2 . . . . 34 GLN HE22 . 17202 1 337 . 1 1 34 34 GLN C C 13 175.589 0.050 1 1 . . . . 34 GLN C . 17202 1 338 . 1 1 34 34 GLN CA C 13 56.010 0.050 1 1 . . . . 34 GLN CA . 17202 1 339 . 1 1 34 34 GLN CB C 13 29.894 0.049 2 1 . . . . 34 GLN CB . 17202 1 340 . 1 1 34 34 GLN CG C 13 34.006 0.050 1 1 . . . . 34 GLN CG . 17202 1 341 . 1 1 34 34 GLN N N 15 117.721 0.359 8 1 . . . . 34 GLN N . 17202 1 342 . 1 1 34 34 GLN NE2 N 15 112.327 0.300 1 1 . . . . 34 GLN NE2 . 17202 1 343 . 1 1 35 35 SER H H 1 8.401 0.036 8 1 . . . . 35 SER H . 17202 1 344 . 1 1 35 35 SER HB2 H 1 3.627 0.003 1 2 . . . . 35 SER HB2 . 17202 1 345 . 1 1 35 35 SER HB3 H 1 3.531 0.009 2 2 . . . . 35 SER HB3 . 17202 1 346 . 1 1 35 35 SER N N 15 115.455 0.356 8 1 . . . . 35 SER N . 17202 1 347 . 1 1 36 36 SER H H 1 7.752 0.057 2 1 . . . . 36 SER H . 17202 1 348 . 1 1 36 36 SER HA H 1 4.475 0.003 2 1 . . . . 36 SER HA . 17202 1 349 . 1 1 36 36 SER HB2 H 1 4.032 0.003 1 1 . . . . 36 SER HB2 . 17202 1 350 . 1 1 36 36 SER HB3 H 1 4.032 0.003 1 1 . . . . 36 SER HB3 . 17202 1 351 . 1 1 36 36 SER C C 13 179.984 0.050 1 1 . . . . 36 SER C . 17202 1 352 . 1 1 36 36 SER CB C 13 63.444 0.050 1 1 . . . . 36 SER CB . 17202 1 353 . 1 1 36 36 SER N N 15 118.979 0.571 2 1 . . . . 36 SER N . 17202 1 354 . 1 1 37 37 ARG H H 1 8.504 0.005 5 1 . . . . 37 ARG H . 17202 1 355 . 1 1 37 37 ARG HA H 1 4.186 0.004 4 1 . . . . 37 ARG HA . 17202 1 356 . 1 1 37 37 ARG HB2 H 1 1.605 0.012 2 1 . . . . 37 ARG HB2 . 17202 1 357 . 1 1 37 37 ARG HB3 H 1 1.605 0.012 2 1 . . . . 37 ARG HB3 . 17202 1 358 . 1 1 37 37 ARG HG2 H 1 1.457 0.004 3 1 . . . . 37 ARG HG2 . 17202 1 359 . 1 1 37 37 ARG HG3 H 1 1.457 0.004 3 1 . . . . 37 ARG HG3 . 17202 1 360 . 1 1 37 37 ARG HD2 H 1 2.946 0.003 1 1 . . . . 37 ARG HD2 . 17202 1 361 . 1 1 37 37 ARG HD3 H 1 2.946 0.003 1 1 . . . . 37 ARG HD3 . 17202 1 362 . 1 1 37 37 ARG C C 13 176.441 0.050 1 1 . . . . 37 ARG C . 17202 1 363 . 1 1 37 37 ARG CA C 13 56.915 0.050 1 1 . . . . 37 ARG CA . 17202 1 364 . 1 1 37 37 ARG CB C 13 30.163 0.050 1 1 . . . . 37 ARG CB . 17202 1 365 . 1 1 37 37 ARG N N 15 120.710 0.038 3 1 . . . . 37 ARG N . 17202 1 366 . 1 1 38 38 GLY H H 1 7.500 0.026 16 1 . . . . 38 GLY H . 17202 1 367 . 1 1 38 38 GLY HA2 H 1 4.418 0.007 8 2 . . . . 38 GLY HA2 . 17202 1 368 . 1 1 38 38 GLY HA3 H 1 3.896 0.005 5 2 . . . . 38 GLY HA3 . 17202 1 369 . 1 1 38 38 GLY C C 13 173.503 0.050 1 1 . . . . 38 GLY C . 17202 1 370 . 1 1 38 38 GLY CA C 13 45.144 0.080 3 1 . . . . 38 GLY CA . 17202 1 371 . 1 1 38 38 GLY N N 15 106.104 0.264 13 1 . . . . 38 GLY N . 17202 1 372 . 1 1 39 39 ASP H H 1 8.299 0.026 14 1 . . . . 39 ASP H . 17202 1 373 . 1 1 39 39 ASP HA H 1 4.658 0.008 6 1 . . . . 39 ASP HA . 17202 1 374 . 1 1 39 39 ASP HB2 H 1 2.857 0.005 2 2 . . . . 39 ASP HB2 . 17202 1 375 . 1 1 39 39 ASP HB3 H 1 2.653 0.013 3 2 . . . . 39 ASP HB3 . 17202 1 376 . 1 1 39 39 ASP C C 13 174.750 0.050 1 1 . . . . 39 ASP C . 17202 1 377 . 1 1 39 39 ASP CA C 13 55.161 0.050 1 1 . . . . 39 ASP CA . 17202 1 378 . 1 1 39 39 ASP CB C 13 40.868 0.050 1 1 . . . . 39 ASP CB . 17202 1 379 . 1 1 39 39 ASP N N 15 118.555 0.287 12 1 . . . . 39 ASP N . 17202 1 380 . 1 1 40 40 ASP H H 1 8.672 0.026 16 1 . . . . 40 ASP H . 17202 1 381 . 1 1 40 40 ASP HA H 1 4.652 0.006 2 1 . . . . 40 ASP HA . 17202 1 382 . 1 1 40 40 ASP HB2 H 1 2.960 0.003 1 2 . . . . 40 ASP HB2 . 17202 1 383 . 1 1 40 40 ASP HB3 H 1 2.596 0.003 2 2 . . . . 40 ASP HB3 . 17202 1 384 . 1 1 40 40 ASP C C 13 174.681 0.050 1 1 . . . . 40 ASP C . 17202 1 385 . 1 1 40 40 ASP CA C 13 53.070 0.050 1 1 . . . . 40 ASP CA . 17202 1 386 . 1 1 40 40 ASP CB C 13 39.562 0.050 1 1 . . . . 40 ASP CB . 17202 1 387 . 1 1 40 40 ASP N N 15 115.591 0.257 13 1 . . . . 40 ASP N . 17202 1 388 . 1 1 41 41 HIS H H 1 7.755 0.030 13 1 . . . . 41 HIS H . 17202 1 389 . 1 1 41 41 HIS HA H 1 5.413 0.009 5 1 . . . . 41 HIS HA . 17202 1 390 . 1 1 41 41 HIS HB2 H 1 3.131 0.009 2 1 . . . . 41 HIS HB2 . 17202 1 391 . 1 1 41 41 HIS HB3 H 1 3.131 0.009 2 1 . . . . 41 HIS HB3 . 17202 1 392 . 1 1 41 41 HIS HD2 H 1 7.379 0.004 2 1 . . . . 41 HIS HD2 . 17202 1 393 . 1 1 41 41 HIS C C 13 173.210 0.050 1 1 . . . . 41 HIS C . 17202 1 394 . 1 1 41 41 HIS CA C 13 55.174 0.050 1 1 . . . . 41 HIS CA . 17202 1 395 . 1 1 41 41 HIS N N 15 116.074 0.253 10 1 . . . . 41 HIS N . 17202 1 396 . 1 1 42 42 LEU H H 1 9.213 0.026 17 1 . . . . 42 LEU H . 17202 1 397 . 1 1 42 42 LEU HA H 1 4.889 0.013 8 1 . . . . 42 LEU HA . 17202 1 398 . 1 1 42 42 LEU HB2 H 1 1.417 0.005 2 1 . . . . 42 LEU HB2 . 17202 1 399 . 1 1 42 42 LEU HB3 H 1 1.417 0.005 2 1 . . . . 42 LEU HB3 . 17202 1 400 . 1 1 42 42 LEU HG H 1 0.830 0.005 5 1 . . . . 42 LEU HG . 17202 1 401 . 1 1 42 42 LEU HD11 H 1 0.604 0.002 3 1 . . . . 42 LEU MD1 . 17202 1 402 . 1 1 42 42 LEU HD12 H 1 0.604 0.002 3 1 . . . . 42 LEU MD1 . 17202 1 403 . 1 1 42 42 LEU HD13 H 1 0.604 0.002 3 1 . . . . 42 LEU MD1 . 17202 1 404 . 1 1 42 42 LEU HD21 H 1 0.604 0.002 3 1 . . . . 42 LEU MD2 . 17202 1 405 . 1 1 42 42 LEU HD22 H 1 0.604 0.002 3 1 . . . . 42 LEU MD2 . 17202 1 406 . 1 1 42 42 LEU HD23 H 1 0.604 0.002 3 1 . . . . 42 LEU MD2 . 17202 1 407 . 1 1 42 42 LEU C C 13 174.844 0.050 1 1 . . . . 42 LEU C . 17202 1 408 . 1 1 42 42 LEU CA C 13 53.707 0.050 1 1 . . . . 42 LEU CA . 17202 1 409 . 1 1 42 42 LEU CB C 13 47.021 0.050 1 1 . . . . 42 LEU CB . 17202 1 410 . 1 1 42 42 LEU N N 15 121.568 0.316 12 1 . . . . 42 LEU N . 17202 1 411 . 1 1 43 43 VAL H H 1 8.836 0.025 17 1 . . . . 43 VAL H . 17202 1 412 . 1 1 43 43 VAL HA H 1 5.229 0.013 6 1 . . . . 43 VAL HA . 17202 1 413 . 1 1 43 43 VAL HB H 1 1.650 0.002 5 1 . . . . 43 VAL HB . 17202 1 414 . 1 1 43 43 VAL HG11 H 1 0.999 0.013 14 1 . . . . 43 VAL MG1 . 17202 1 415 . 1 1 43 43 VAL HG12 H 1 0.999 0.013 14 1 . . . . 43 VAL MG1 . 17202 1 416 . 1 1 43 43 VAL HG13 H 1 0.999 0.013 14 1 . . . . 43 VAL MG1 . 17202 1 417 . 1 1 43 43 VAL HG21 H 1 0.999 0.013 14 1 . . . . 43 VAL MG2 . 17202 1 418 . 1 1 43 43 VAL HG22 H 1 0.999 0.013 14 1 . . . . 43 VAL MG2 . 17202 1 419 . 1 1 43 43 VAL HG23 H 1 0.999 0.013 14 1 . . . . 43 VAL MG2 . 17202 1 420 . 1 1 43 43 VAL C C 13 176.121 0.050 1 1 . . . . 43 VAL C . 17202 1 421 . 1 1 43 43 VAL CA C 13 60.500 0.050 1 1 . . . . 43 VAL CA . 17202 1 422 . 1 1 43 43 VAL CB C 13 37.342 0.050 1 1 . . . . 43 VAL CB . 17202 1 423 . 1 1 43 43 VAL N N 15 119.688 0.362 15 1 . . . . 43 VAL N . 17202 1 424 . 1 1 44 44 ILE H H 1 9.011 0.023 16 1 . . . . 44 ILE H . 17202 1 425 . 1 1 44 44 ILE HA H 1 5.189 0.011 4 1 . . . . 44 ILE HA . 17202 1 426 . 1 1 44 44 ILE HB H 1 1.670 0.012 4 1 . . . . 44 ILE HB . 17202 1 427 . 1 1 44 44 ILE HG12 H 1 0.563 0.003 1 1 . . . . 44 ILE HG12 . 17202 1 428 . 1 1 44 44 ILE HG13 H 1 0.563 0.003 1 1 . . . . 44 ILE HG13 . 17202 1 429 . 1 1 44 44 ILE HG21 H 1 0.838 0.006 4 1 . . . . 44 ILE MG . 17202 1 430 . 1 1 44 44 ILE HG22 H 1 0.838 0.006 4 1 . . . . 44 ILE MG . 17202 1 431 . 1 1 44 44 ILE HG23 H 1 0.838 0.006 4 1 . . . . 44 ILE MG . 17202 1 432 . 1 1 44 44 ILE HD11 H 1 0.483 0.008 9 1 . . . . 44 ILE MD . 17202 1 433 . 1 1 44 44 ILE HD12 H 1 0.483 0.008 9 1 . . . . 44 ILE MD . 17202 1 434 . 1 1 44 44 ILE HD13 H 1 0.483 0.008 9 1 . . . . 44 ILE MD . 17202 1 435 . 1 1 44 44 ILE C C 13 175.765 0.050 1 1 . . . . 44 ILE C . 17202 1 436 . 1 1 44 44 ILE CA C 13 59.993 0.050 1 1 . . . . 44 ILE CA . 17202 1 437 . 1 1 44 44 ILE CB C 13 40.652 0.050 1 1 . . . . 44 ILE CB . 17202 1 438 . 1 1 44 44 ILE N N 15 123.755 0.341 15 1 . . . . 44 ILE N . 17202 1 439 . 1 1 45 45 THR H H 1 9.183 0.022 22 1 . . . . 45 THR H . 17202 1 440 . 1 1 45 45 THR HA H 1 5.538 0.017 3 1 . . . . 45 THR HA . 17202 1 441 . 1 1 45 45 THR HB H 1 3.685 0.004 3 1 . . . . 45 THR HB . 17202 1 442 . 1 1 45 45 THR HG21 H 1 1.455 0.002 2 1 . . . . 45 THR MG . 17202 1 443 . 1 1 45 45 THR HG22 H 1 1.455 0.002 2 1 . . . . 45 THR MG . 17202 1 444 . 1 1 45 45 THR HG23 H 1 1.455 0.002 2 1 . . . . 45 THR MG . 17202 1 445 . 1 1 45 45 THR C C 13 173.270 0.050 1 1 . . . . 45 THR C . 17202 1 446 . 1 1 45 45 THR CA C 13 62.463 0.050 1 1 . . . . 45 THR CA . 17202 1 447 . 1 1 45 45 THR CB C 13 71.532 0.050 1 1 . . . . 45 THR CB . 17202 1 448 . 1 1 45 45 THR N N 15 127.776 0.298 19 1 . . . . 45 THR N . 17202 1 449 . 1 1 46 46 TRP H H 1 9.311 0.021 22 1 . . . . 46 TRP H . 17202 1 450 . 1 1 46 46 TRP HA H 1 5.938 0.008 2 1 . . . . 46 TRP HA . 17202 1 451 . 1 1 46 46 TRP HB2 H 1 3.300 0.004 2 2 . . . . 46 TRP HB2 . 17202 1 452 . 1 1 46 46 TRP HB3 H 1 3.021 0.003 1 2 . . . . 46 TRP HB3 . 17202 1 453 . 1 1 46 46 TRP HD1 H 1 7.067 0.001 2 1 . . . . 46 TRP HD1 . 17202 1 454 . 1 1 46 46 TRP HE1 H 1 9.972 0.003 1 1 . . . . 46 TRP HE1 . 17202 1 455 . 1 1 46 46 TRP N N 15 124.001 0.307 18 1 . . . . 46 TRP N . 17202 1 456 . 1 1 46 46 TRP NE1 N 15 128.627 0.507 2 1 . . . . 46 TRP NE1 . 17202 1 457 . 1 1 47 47 LYS HA H 1 4.375 0.003 1 1 . . . . 47 LYS HA . 17202 1 458 . 1 1 47 47 LYS C C 13 174.411 0.050 1 1 . . . . 47 LYS C . 17202 1 459 . 1 1 47 47 LYS CA C 13 55.699 0.050 1 1 . . . . 47 LYS CA . 17202 1 460 . 1 1 48 48 LEU H H 1 8.366 0.030 12 1 . . . . 48 LEU H . 17202 1 461 . 1 1 48 48 LEU HA H 1 3.934 0.012 4 1 . . . . 48 LEU HA . 17202 1 462 . 1 1 48 48 LEU HB2 H 1 1.056 0.009 3 2 . . . . 48 LEU HB2 . 17202 1 463 . 1 1 48 48 LEU HB3 H 1 1.179 0.007 2 2 . . . . 48 LEU HB3 . 17202 1 464 . 1 1 48 48 LEU HG H 1 0.814 0.001 2 1 . . . . 48 LEU HG . 17202 1 465 . 1 1 48 48 LEU HD11 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD1 . 17202 1 466 . 1 1 48 48 LEU HD12 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD1 . 17202 1 467 . 1 1 48 48 LEU HD13 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD1 . 17202 1 468 . 1 1 48 48 LEU HD21 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD2 . 17202 1 469 . 1 1 48 48 LEU HD22 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD2 . 17202 1 470 . 1 1 48 48 LEU HD23 H 1 -0.331 0.017 8 1 . . . . 48 LEU MD2 . 17202 1 471 . 1 1 48 48 LEU C C 13 175.027 0.050 1 1 . . . . 48 LEU C . 17202 1 472 . 1 1 48 48 LEU CA C 13 51.486 0.050 1 1 . . . . 48 LEU CA . 17202 1 473 . 1 1 48 48 LEU CB C 13 43.124 0.050 1 1 . . . . 48 LEU CB . 17202 1 474 . 1 1 48 48 LEU N N 15 128.291 0.401 10 1 . . . . 48 LEU N . 17202 1 475 . 1 1 49 49 ASP H H 1 7.763 0.036 16 1 . . . . 49 ASP H . 17202 1 476 . 1 1 49 49 ASP HA H 1 4.489 0.008 5 1 . . . . 49 ASP HA . 17202 1 477 . 1 1 49 49 ASP HB2 H 1 2.522 0.007 4 1 . . . . 49 ASP HB2 . 17202 1 478 . 1 1 49 49 ASP HB3 H 1 2.522 0.007 4 1 . . . . 49 ASP HB3 . 17202 1 479 . 1 1 49 49 ASP C C 13 174.411 0.050 1 1 . . . . 49 ASP C . 17202 1 480 . 1 1 49 49 ASP CA C 13 52.166 0.050 1 1 . . . . 49 ASP CA . 17202 1 481 . 1 1 49 49 ASP CB C 13 43.326 0.050 1 1 . . . . 49 ASP CB . 17202 1 482 . 1 1 49 49 ASP N N 15 115.595 0.362 12 1 . . . . 49 ASP N . 17202 1 483 . 1 1 50 50 LYS H H 1 8.745 0.027 14 1 . . . . 50 LYS H . 17202 1 484 . 1 1 50 50 LYS HA H 1 3.904 0.005 3 1 . . . . 50 LYS HA . 17202 1 485 . 1 1 50 50 LYS HB2 H 1 1.694 0.008 3 1 . . . . 50 LYS HB2 . 17202 1 486 . 1 1 50 50 LYS HB3 H 1 1.694 0.008 3 1 . . . . 50 LYS HB3 . 17202 1 487 . 1 1 50 50 LYS HG2 H 1 1.274 0.004 5 1 . . . . 50 LYS HG2 . 17202 1 488 . 1 1 50 50 LYS HG3 H 1 1.274 0.004 5 1 . . . . 50 LYS HG3 . 17202 1 489 . 1 1 50 50 LYS HD2 H 1 1.410 0.004 2 1 . . . . 50 LYS HD2 . 17202 1 490 . 1 1 50 50 LYS HD3 H 1 1.410 0.004 2 1 . . . . 50 LYS HD3 . 17202 1 491 . 1 1 50 50 LYS HE2 H 1 2.983 0.004 2 1 . . . . 50 LYS HE2 . 17202 1 492 . 1 1 50 50 LYS HE3 H 1 2.983 0.004 2 1 . . . . 50 LYS HE3 . 17202 1 493 . 1 1 50 50 LYS N N 15 121.449 0.296 13 1 . . . . 50 LYS N . 17202 1 494 . 1 1 52 52 LEU HD11 H 1 0.216 0.011 4 1 . . . . 52 LEU MD1 . 17202 1 495 . 1 1 52 52 LEU HD12 H 1 0.216 0.011 4 1 . . . . 52 LEU MD1 . 17202 1 496 . 1 1 52 52 LEU HD13 H 1 0.216 0.011 4 1 . . . . 52 LEU MD1 . 17202 1 497 . 1 1 52 52 LEU HD21 H 1 0.216 0.011 4 1 . . . . 52 LEU MD2 . 17202 1 498 . 1 1 52 52 LEU HD22 H 1 0.216 0.011 4 1 . . . . 52 LEU MD2 . 17202 1 499 . 1 1 52 52 LEU HD23 H 1 0.216 0.011 4 1 . . . . 52 LEU MD2 . 17202 1 500 . 1 1 52 52 LEU C C 13 172.758 0.050 1 1 . . . . 52 LEU C . 17202 1 501 . 1 1 53 53 PHE H H 1 8.660 0.006 9 1 . . . . 53 PHE H . 17202 1 502 . 1 1 53 53 PHE HA H 1 5.085 0.009 3 1 . . . . 53 PHE HA . 17202 1 503 . 1 1 53 53 PHE HB2 H 1 2.492 0.009 3 1 . . . . 53 PHE HB2 . 17202 1 504 . 1 1 53 53 PHE HB3 H 1 2.492 0.009 3 1 . . . . 53 PHE HB3 . 17202 1 505 . 1 1 53 53 PHE HD1 H 1 6.843 0.003 3 1 . . . . 53 PHE HD1 . 17202 1 506 . 1 1 53 53 PHE HD2 H 1 6.843 0.003 3 1 . . . . 53 PHE HD2 . 17202 1 507 . 1 1 53 53 PHE HE1 H 1 7.061 0.016 5 1 . . . . 53 PHE HE1 . 17202 1 508 . 1 1 53 53 PHE HE2 H 1 7.061 0.016 5 1 . . . . 53 PHE HE2 . 17202 1 509 . 1 1 53 53 PHE CA C 13 55.083 0.050 1 1 . . . . 53 PHE CA . 17202 1 510 . 1 1 53 53 PHE CB C 13 42.104 0.050 1 1 . . . . 53 PHE CB . 17202 1 511 . 1 1 53 53 PHE N N 15 125.827 0.120 9 1 . . . . 53 PHE N . 17202 1 512 . 1 1 54 54 GLN H H 1 7.983 0.010 8 1 . . . . 54 GLN H . 17202 1 513 . 1 1 54 54 GLN HA H 1 4.770 0.003 2 1 . . . . 54 GLN HA . 17202 1 514 . 1 1 54 54 GLN HB2 H 1 2.153 0.003 1 1 . . . . 54 GLN HB2 . 17202 1 515 . 1 1 54 54 GLN HB3 H 1 2.153 0.003 1 1 . . . . 54 GLN HB3 . 17202 1 516 . 1 1 54 54 GLN HG2 H 1 2.498 0.003 1 1 . . . . 54 GLN HG2 . 17202 1 517 . 1 1 54 54 GLN HG3 H 1 2.498 0.003 1 1 . . . . 54 GLN HG3 . 17202 1 518 . 1 1 54 54 GLN C C 13 172.985 0.050 1 1 . . . . 54 GLN C . 17202 1 519 . 1 1 54 54 GLN CA C 13 53.546 0.050 1 1 . . . . 54 GLN CA . 17202 1 520 . 1 1 54 54 GLN N N 15 119.356 0.050 7 1 . . . . 54 GLN N . 17202 1 521 . 1 1 55 55 HIS H H 1 9.047 0.029 12 1 . . . . 55 HIS H . 17202 1 522 . 1 1 55 55 HIS HA H 1 5.205 0.005 3 1 . . . . 55 HIS HA . 17202 1 523 . 1 1 55 55 HIS HB2 H 1 2.766 0.013 2 2 . . . . 55 HIS HB2 . 17202 1 524 . 1 1 55 55 HIS HB3 H 1 2.593 0.002 2 2 . . . . 55 HIS HB3 . 17202 1 525 . 1 1 55 55 HIS HD2 H 1 7.133 0.003 1 1 . . . . 55 HIS HD2 . 17202 1 526 . 1 1 55 55 HIS C C 13 175.410 0.050 1 1 . . . . 55 HIS C . 17202 1 527 . 1 1 55 55 HIS CA C 13 55.061 0.050 1 1 . . . . 55 HIS CA . 17202 1 528 . 1 1 55 55 HIS CB C 13 31.787 0.258 3 1 . . . . 55 HIS CB . 17202 1 529 . 1 1 55 55 HIS N N 15 127.860 0.289 11 1 . . . . 55 HIS N . 17202 1 530 . 1 1 56 56 ILE H H 1 9.905 0.023 22 1 . . . . 56 ILE H . 17202 1 531 . 1 1 56 56 ILE HA H 1 4.272 0.005 6 1 . . . . 56 ILE HA . 17202 1 532 . 1 1 56 56 ILE HB H 1 1.935 0.009 3 1 . . . . 56 ILE HB . 17202 1 533 . 1 1 56 56 ILE HG12 H 1 1.248 0.012 3 1 . . . . 56 ILE HG12 . 17202 1 534 . 1 1 56 56 ILE HG13 H 1 1.248 0.012 3 1 . . . . 56 ILE HG13 . 17202 1 535 . 1 1 56 56 ILE HG21 H 1 0.445 0.001 3 1 . . . . 56 ILE MG . 17202 1 536 . 1 1 56 56 ILE HG22 H 1 0.445 0.001 3 1 . . . . 56 ILE MG . 17202 1 537 . 1 1 56 56 ILE HG23 H 1 0.445 0.001 3 1 . . . . 56 ILE MG . 17202 1 538 . 1 1 56 56 ILE HD11 H 1 0.822 0.004 18 1 . . . . 56 ILE MD . 17202 1 539 . 1 1 56 56 ILE HD12 H 1 0.822 0.004 18 1 . . . . 56 ILE MD . 17202 1 540 . 1 1 56 56 ILE HD13 H 1 0.822 0.004 18 1 . . . . 56 ILE MD . 17202 1 541 . 1 1 56 56 ILE C C 13 174.417 0.050 1 1 . . . . 56 ILE C . 17202 1 542 . 1 1 56 56 ILE CA C 13 60.844 0.050 1 1 . . . . 56 ILE CA . 17202 1 543 . 1 1 56 56 ILE N N 15 127.474 0.341 17 1 . . . . 56 ILE N . 17202 1 544 . 1 1 57 57 ASP H H 1 8.663 0.029 12 1 . . . . 57 ASP H . 17202 1 545 . 1 1 57 57 ASP HA H 1 4.867 0.006 4 1 . . . . 57 ASP HA . 17202 1 546 . 1 1 57 57 ASP HB2 H 1 2.659 0.008 5 1 . . . . 57 ASP HB2 . 17202 1 547 . 1 1 57 57 ASP HB3 H 1 2.659 0.008 5 1 . . . . 57 ASP HB3 . 17202 1 548 . 1 1 57 57 ASP C C 13 174.626 0.050 1 1 . . . . 57 ASP C . 17202 1 549 . 1 1 57 57 ASP CA C 13 55.715 0.105 2 1 . . . . 57 ASP CA . 17202 1 550 . 1 1 57 57 ASP CB C 13 43.184 0.050 1 1 . . . . 57 ASP CB . 17202 1 551 . 1 1 57 57 ASP N N 15 127.348 0.292 11 1 . . . . 57 ASP N . 17202 1 552 . 1 1 58 58 ILE H H 1 8.823 0.035 18 1 . . . . 58 ILE H . 17202 1 553 . 1 1 58 58 ILE HA H 1 4.412 0.007 3 1 . . . . 58 ILE HA . 17202 1 554 . 1 1 58 58 ILE HB H 1 1.641 0.011 3 1 . . . . 58 ILE HB . 17202 1 555 . 1 1 58 58 ILE HG21 H 1 0.544 0.007 7 1 . . . . 58 ILE MG . 17202 1 556 . 1 1 58 58 ILE HG22 H 1 0.544 0.007 7 1 . . . . 58 ILE MG . 17202 1 557 . 1 1 58 58 ILE HG23 H 1 0.544 0.007 7 1 . . . . 58 ILE MG . 17202 1 558 . 1 1 58 58 ILE C C 13 175.398 0.050 1 1 . . . . 58 ILE C . 17202 1 559 . 1 1 58 58 ILE CA C 13 60.295 0.050 1 1 . . . . 58 ILE CA . 17202 1 560 . 1 1 58 58 ILE CB C 13 39.805 0.050 1 1 . . . . 58 ILE CB . 17202 1 561 . 1 1 58 58 ILE N N 15 124.170 0.320 16 1 . . . . 58 ILE N . 17202 1 562 . 1 1 59 59 GLN H H 1 8.659 0.038 8 1 . . . . 59 GLN H . 17202 1 563 . 1 1 59 59 GLN HA H 1 4.312 0.003 1 1 . . . . 59 GLN HA . 17202 1 564 . 1 1 59 59 GLN HB2 H 1 1.631 0.003 1 1 . . . . 59 GLN HB2 . 17202 1 565 . 1 1 59 59 GLN HB3 H 1 1.631 0.003 1 1 . . . . 59 GLN HB3 . 17202 1 566 . 1 1 59 59 GLN HG2 H 1 1.950 0.003 2 1 . . . . 59 GLN HG2 . 17202 1 567 . 1 1 59 59 GLN HG3 H 1 1.950 0.003 2 1 . . . . 59 GLN HG3 . 17202 1 568 . 1 1 59 59 GLN C C 13 174.734 0.050 1 1 . . . . 59 GLN C . 17202 1 569 . 1 1 59 59 GLN CA C 13 54.435 0.050 1 1 . . . . 59 GLN CA . 17202 1 570 . 1 1 59 59 GLN CB C 13 30.199 0.050 1 1 . . . . 59 GLN CB . 17202 1 571 . 1 1 59 59 GLN CG C 13 33.550 0.050 1 1 . . . . 59 GLN CG . 17202 1 572 . 1 1 59 59 GLN N N 15 126.511 0.451 8 1 . . . . 59 GLN N . 17202 1 573 . 1 1 60 60 GLU H H 1 8.578 0.030 12 1 . . . . 60 GLU H . 17202 1 574 . 1 1 60 60 GLU HA H 1 4.840 0.008 4 1 . . . . 60 GLU HA . 17202 1 575 . 1 1 60 60 GLU HB2 H 1 1.603 0.003 2 2 . . . . 60 GLU HB2 . 17202 1 576 . 1 1 60 60 GLU HB3 H 1 1.437 0.003 1 2 . . . . 60 GLU HB3 . 17202 1 577 . 1 1 60 60 GLU HG2 H 1 1.902 0.003 1 1 . . . . 60 GLU HG2 . 17202 1 578 . 1 1 60 60 GLU HG3 H 1 1.902 0.003 1 1 . . . . 60 GLU HG3 . 17202 1 579 . 1 1 60 60 GLU C C 13 175.490 0.050 1 1 . . . . 60 GLU C . 17202 1 580 . 1 1 60 60 GLU CA C 13 55.540 0.050 1 1 . . . . 60 GLU CA . 17202 1 581 . 1 1 60 60 GLU CB C 13 34.132 0.050 1 1 . . . . 60 GLU CB . 17202 1 582 . 1 1 60 60 GLU N N 15 123.846 0.318 11 1 . . . . 60 GLU N . 17202 1 583 . 1 1 61 61 LEU H H 1 9.139 0.023 20 1 . . . . 61 LEU H . 17202 1 584 . 1 1 61 61 LEU HA H 1 4.612 0.008 3 1 . . . . 61 LEU HA . 17202 1 585 . 1 1 61 61 LEU HB2 H 1 1.569 0.003 1 1 . . . . 61 LEU HB2 . 17202 1 586 . 1 1 61 61 LEU HB3 H 1 1.569 0.003 1 1 . . . . 61 LEU HB3 . 17202 1 587 . 1 1 61 61 LEU HD11 H 1 0.804 0.003 1 1 . . . . 61 LEU MD1 . 17202 1 588 . 1 1 61 61 LEU HD12 H 1 0.804 0.003 1 1 . . . . 61 LEU MD1 . 17202 1 589 . 1 1 61 61 LEU HD13 H 1 0.804 0.003 1 1 . . . . 61 LEU MD1 . 17202 1 590 . 1 1 61 61 LEU HD21 H 1 0.804 0.003 1 1 . . . . 61 LEU MD2 . 17202 1 591 . 1 1 61 61 LEU HD22 H 1 0.804 0.003 1 1 . . . . 61 LEU MD2 . 17202 1 592 . 1 1 61 61 LEU HD23 H 1 0.804 0.003 1 1 . . . . 61 LEU MD2 . 17202 1 593 . 1 1 61 61 LEU C C 13 175.303 0.050 1 1 . . . . 61 LEU C . 17202 1 594 . 1 1 61 61 LEU CA C 13 53.266 0.050 1 1 . . . . 61 LEU CA . 17202 1 595 . 1 1 61 61 LEU CB C 13 45.475 0.050 1 1 . . . . 61 LEU CB . 17202 1 596 . 1 1 61 61 LEU N N 15 123.744 0.268 15 1 . . . . 61 LEU N . 17202 1 597 . 1 1 62 62 GLU H H 1 8.637 0.031 12 1 . . . . 62 GLU H . 17202 1 598 . 1 1 62 62 GLU HA H 1 3.757 0.004 5 1 . . . . 62 GLU HA . 17202 1 599 . 1 1 62 62 GLU HB2 H 1 2.082 0.027 2 1 . . . . 62 GLU HB2 . 17202 1 600 . 1 1 62 62 GLU HB3 H 1 2.082 0.027 2 1 . . . . 62 GLU HB3 . 17202 1 601 . 1 1 62 62 GLU HG2 H 1 2.132 0.009 7 1 . . . . 62 GLU HG2 . 17202 1 602 . 1 1 62 62 GLU HG3 H 1 2.132 0.009 7 1 . . . . 62 GLU HG3 . 17202 1 603 . 1 1 62 62 GLU C C 13 176.732 0.050 1 1 . . . . 62 GLU C . 17202 1 604 . 1 1 62 62 GLU CA C 13 56.790 0.050 1 1 . . . . 62 GLU CA . 17202 1 605 . 1 1 62 62 GLU CB C 13 27.256 0.050 1 1 . . . . 62 GLU CB . 17202 1 606 . 1 1 62 62 GLU CG C 13 35.731 0.050 1 1 . . . . 62 GLU CG . 17202 1 607 . 1 1 62 62 GLU N N 15 115.765 0.301 10 1 . . . . 62 GLU N . 17202 1 608 . 1 1 63 63 LYS H H 1 8.365 0.002 14 1 . . . . 63 LYS H . 17202 1 609 . 1 1 63 63 LYS HA H 1 4.237 0.006 8 1 . . . . 63 LYS HA . 17202 1 610 . 1 1 63 63 LYS HB2 H 1 1.933 0.004 4 1 . . . . 63 LYS HB2 . 17202 1 611 . 1 1 63 63 LYS HB3 H 1 1.933 0.004 4 1 . . . . 63 LYS HB3 . 17202 1 612 . 1 1 63 63 LYS HG2 H 1 1.388 0.001 3 2 . . . . 63 LYS HG2 . 17202 1 613 . 1 1 63 63 LYS HG3 H 1 1.250 0.003 1 2 . . . . 63 LYS HG3 . 17202 1 614 . 1 1 63 63 LYS HD2 H 1 1.744 0.003 1 1 . . . . 63 LYS HD2 . 17202 1 615 . 1 1 63 63 LYS HD3 H 1 1.744 0.003 1 1 . . . . 63 LYS HD3 . 17202 1 616 . 1 1 63 63 LYS C C 13 177.846 0.050 1 1 . . . . 63 LYS C . 17202 1 617 . 1 1 63 63 LYS CA C 13 55.589 0.015 2 1 . . . . 63 LYS CA . 17202 1 618 . 1 1 63 63 LYS CB C 13 32.704 0.050 1 1 . . . . 63 LYS CB . 17202 1 619 . 1 1 63 63 LYS N N 15 120.610 0.051 9 1 . . . . 63 LYS N . 17202 1 620 . 1 1 64 64 GLU H H 1 9.022 0.024 18 1 . . . . 64 GLU H . 17202 1 621 . 1 1 64 64 GLU HA H 1 4.006 0.018 5 1 . . . . 64 GLU HA . 17202 1 622 . 1 1 64 64 GLU HB2 H 1 1.928 0.008 8 1 . . . . 64 GLU HB2 . 17202 1 623 . 1 1 64 64 GLU HB3 H 1 1.928 0.008 8 1 . . . . 64 GLU HB3 . 17202 1 624 . 1 1 64 64 GLU HG2 H 1 2.246 0.009 7 1 . . . . 64 GLU HG2 . 17202 1 625 . 1 1 64 64 GLU HG3 H 1 2.246 0.009 7 1 . . . . 64 GLU HG3 . 17202 1 626 . 1 1 64 64 GLU C C 13 175.650 0.050 1 1 . . . . 64 GLU C . 17202 1 627 . 1 1 64 64 GLU CA C 13 58.565 0.009 2 1 . . . . 64 GLU CA . 17202 1 628 . 1 1 64 64 GLU CB C 13 30.394 0.050 1 1 . . . . 64 GLU CB . 17202 1 629 . 1 1 64 64 GLU CG C 13 36.123 0.050 1 1 . . . . 64 GLU CG . 17202 1 630 . 1 1 64 64 GLU N N 15 124.971 0.261 13 1 . . . . 64 GLU N . 17202 1 631 . 1 1 65 65 ASN H H 1 7.579 0.022 22 1 . . . . 65 ASN H . 17202 1 632 . 1 1 65 65 ASN HA H 1 4.788 0.005 9 1 . . . . 65 ASN HA . 17202 1 633 . 1 1 65 65 ASN HB2 H 1 3.761 0.007 6 2 . . . . 65 ASN HB2 . 17202 1 634 . 1 1 65 65 ASN HB3 H 1 2.909 0.007 10 2 . . . . 65 ASN HB3 . 17202 1 635 . 1 1 65 65 ASN HD21 H 1 7.755 0.002 6 2 . . . . 65 ASN HD21 . 17202 1 636 . 1 1 65 65 ASN HD22 H 1 6.877 0.032 10 2 . . . . 65 ASN HD22 . 17202 1 637 . 1 1 65 65 ASN CA C 13 51.510 0.004 2 1 . . . . 65 ASN CA . 17202 1 638 . 1 1 65 65 ASN CB C 13 38.680 0.050 1 1 . . . . 65 ASN CB . 17202 1 639 . 1 1 65 65 ASN N N 15 112.711 0.237 16 1 . . . . 65 ASN N . 17202 1 640 . 1 1 65 65 ASN ND2 N 15 116.244 0.553 2 1 . . . . 65 ASN ND2 . 17202 1 641 . 1 1 66 66 PRO HA H 1 4.206 0.008 3 1 . . . . 66 PRO HA . 17202 1 642 . 1 1 66 66 PRO HB2 H 1 2.437 0.011 4 1 . . . . 66 PRO HB2 . 17202 1 643 . 1 1 66 66 PRO HB3 H 1 2.437 0.011 4 1 . . . . 66 PRO HB3 . 17202 1 644 . 1 1 66 66 PRO HG2 H 1 1.844 0.003 1 1 . . . . 66 PRO HG2 . 17202 1 645 . 1 1 66 66 PRO HG3 H 1 1.844 0.003 1 1 . . . . 66 PRO HG3 . 17202 1 646 . 1 1 66 66 PRO HD2 H 1 3.743 0.003 2 1 . . . . 66 PRO HD2 . 17202 1 647 . 1 1 66 66 PRO HD3 H 1 3.743 0.003 2 1 . . . . 66 PRO HD3 . 17202 1 648 . 1 1 66 66 PRO C C 13 177.201 0.050 1 1 . . . . 66 PRO C . 17202 1 649 . 1 1 66 66 PRO CA C 13 65.738 0.055 2 1 . . . . 66 PRO CA . 17202 1 650 . 1 1 66 66 PRO CB C 13 32.564 0.097 2 1 . . . . 66 PRO CB . 17202 1 651 . 1 1 66 66 PRO CG C 13 27.710 0.050 1 1 . . . . 66 PRO CG . 17202 1 652 . 1 1 67 67 LEU H H 1 7.882 0.024 18 1 . . . . 67 LEU H . 17202 1 653 . 1 1 67 67 LEU HA H 1 4.290 0.013 7 1 . . . . 67 LEU HA . 17202 1 654 . 1 1 67 67 LEU HB2 H 1 1.632 0.014 3 1 . . . . 67 LEU HB2 . 17202 1 655 . 1 1 67 67 LEU HB3 H 1 1.632 0.014 3 1 . . . . 67 LEU HB3 . 17202 1 656 . 1 1 67 67 LEU HG H 1 1.615 0.004 5 1 . . . . 67 LEU HG . 17202 1 657 . 1 1 67 67 LEU HD11 H 1 0.880 0.002 2 2 . . . . 67 LEU MD1 . 17202 1 658 . 1 1 67 67 LEU HD12 H 1 0.880 0.002 2 2 . . . . 67 LEU MD1 . 17202 1 659 . 1 1 67 67 LEU HD13 H 1 0.880 0.002 2 2 . . . . 67 LEU MD1 . 17202 1 660 . 1 1 67 67 LEU HD21 H 1 0.773 0.008 5 2 . . . . 67 LEU MD2 . 17202 1 661 . 1 1 67 67 LEU HD22 H 1 0.773 0.008 5 2 . . . . 67 LEU MD2 . 17202 1 662 . 1 1 67 67 LEU HD23 H 1 0.773 0.008 5 2 . . . . 67 LEU MD2 . 17202 1 663 . 1 1 67 67 LEU C C 13 177.330 0.050 1 1 . . . . 67 LEU C . 17202 1 664 . 1 1 67 67 LEU CA C 13 54.621 0.005 2 1 . . . . 67 LEU CA . 17202 1 665 . 1 1 67 67 LEU CB C 13 41.745 0.050 1 1 . . . . 67 LEU CB . 17202 1 666 . 1 1 67 67 LEU CG C 13 27.395 0.050 1 1 . . . . 67 LEU CG . 17202 1 667 . 1 1 67 67 LEU CD1 C 13 24.933 0.050 1 2 . . . . 67 LEU CD1 . 17202 1 668 . 1 1 67 67 LEU CD2 C 13 22.798 0.050 1 2 . . . . 67 LEU CD2 . 17202 1 669 . 1 1 67 67 LEU N N 15 114.292 0.244 16 1 . . . . 67 LEU N . 17202 1 670 . 1 1 68 68 ALA H H 1 7.564 0.024 18 1 . . . . 68 ALA H . 17202 1 671 . 1 1 68 68 ALA HA H 1 4.348 0.003 6 1 . . . . 68 ALA HA . 17202 1 672 . 1 1 68 68 ALA HB1 H 1 1.404 0.010 17 1 . . . . 68 ALA MB . 17202 1 673 . 1 1 68 68 ALA HB2 H 1 1.404 0.010 17 1 . . . . 68 ALA MB . 17202 1 674 . 1 1 68 68 ALA HB3 H 1 1.404 0.010 17 1 . . . . 68 ALA MB . 17202 1 675 . 1 1 68 68 ALA C C 13 176.652 0.050 1 1 . . . . 68 ALA C . 17202 1 676 . 1 1 68 68 ALA CA C 13 51.389 0.036 2 1 . . . . 68 ALA CA . 17202 1 677 . 1 1 68 68 ALA CB C 13 21.349 0.028 2 1 . . . . 68 ALA CB . 17202 1 678 . 1 1 68 68 ALA N N 15 125.197 0.277 14 1 . . . . 68 ALA N . 17202 1 679 . 1 1 69 69 LEU H H 1 8.323 0.026 17 1 . . . . 69 LEU H . 17202 1 680 . 1 1 69 69 LEU HA H 1 4.227 0.005 6 1 . . . . 69 LEU HA . 17202 1 681 . 1 1 69 69 LEU HB2 H 1 1.791 0.003 1 2 . . . . 69 LEU HB2 . 17202 1 682 . 1 1 69 69 LEU HB3 H 1 1.348 0.009 4 2 . . . . 69 LEU HB3 . 17202 1 683 . 1 1 69 69 LEU HG H 1 1.844 0.011 2 1 . . . . 69 LEU HG . 17202 1 684 . 1 1 69 69 LEU HD11 H 1 0.833 0.006 8 1 . . . . 69 LEU MD1 . 17202 1 685 . 1 1 69 69 LEU HD12 H 1 0.833 0.006 8 1 . . . . 69 LEU MD1 . 17202 1 686 . 1 1 69 69 LEU HD13 H 1 0.833 0.006 8 1 . . . . 69 LEU MD1 . 17202 1 687 . 1 1 69 69 LEU HD21 H 1 0.833 0.006 8 1 . . . . 69 LEU MD2 . 17202 1 688 . 1 1 69 69 LEU HD22 H 1 0.833 0.006 8 1 . . . . 69 LEU MD2 . 17202 1 689 . 1 1 69 69 LEU HD23 H 1 0.833 0.006 8 1 . . . . 69 LEU MD2 . 17202 1 690 . 1 1 69 69 LEU CB C 13 42.673 0.050 1 1 . . . . 69 LEU CB . 17202 1 691 . 1 1 69 69 LEU N N 15 122.704 0.277 12 1 . . . . 69 LEU N . 17202 1 692 . 1 1 70 70 GLY H H 1 9.402 0.025 17 1 . . . . 70 GLY H . 17202 1 693 . 1 1 70 70 GLY HA2 H 1 3.623 0.008 4 2 . . . . 70 GLY HA2 . 17202 1 694 . 1 1 70 70 GLY HA3 H 1 3.404 0.005 4 2 . . . . 70 GLY HA3 . 17202 1 695 . 1 1 70 70 GLY C C 13 171.522 0.050 1 1 . . . . 70 GLY C . 17202 1 696 . 1 1 70 70 GLY CA C 13 46.941 0.050 1 1 . . . . 70 GLY CA . 17202 1 697 . 1 1 70 70 GLY N N 15 113.940 0.289 13 1 . . . . 70 GLY N . 17202 1 698 . 1 1 71 71 LYS H H 1 7.508 0.025 18 1 . . . . 71 LYS H . 17202 1 699 . 1 1 71 71 LYS HA H 1 4.219 0.007 9 1 . . . . 71 LYS HA . 17202 1 700 . 1 1 71 71 LYS HB2 H 1 1.959 0.012 7 1 . . . . 71 LYS HB2 . 17202 1 701 . 1 1 71 71 LYS HB3 H 1 1.959 0.012 7 1 . . . . 71 LYS HB3 . 17202 1 702 . 1 1 71 71 LYS HG2 H 1 1.795 0.005 5 2 . . . . 71 LYS HG2 . 17202 1 703 . 1 1 71 71 LYS HG3 H 1 1.627 0.009 8 2 . . . . 71 LYS HG3 . 17202 1 704 . 1 1 71 71 LYS HD2 H 1 1.778 0.007 5 1 . . . . 71 LYS HD2 . 17202 1 705 . 1 1 71 71 LYS HD3 H 1 1.778 0.007 5 1 . . . . 71 LYS HD3 . 17202 1 706 . 1 1 71 71 LYS HE2 H 1 3.055 0.016 4 1 . . . . 71 LYS HE2 . 17202 1 707 . 1 1 71 71 LYS HE3 H 1 3.055 0.016 4 1 . . . . 71 LYS HE3 . 17202 1 708 . 1 1 71 71 LYS C C 13 175.866 0.050 1 1 . . . . 71 LYS C . 17202 1 709 . 1 1 71 71 LYS CA C 13 57.488 0.028 2 1 . . . . 71 LYS CA . 17202 1 710 . 1 1 71 71 LYS CB C 13 33.149 0.050 1 1 . . . . 71 LYS CB . 17202 1 711 . 1 1 71 71 LYS N N 15 119.429 0.268 13 1 . . . . 71 LYS N . 17202 1 712 . 1 1 72 72 VAL H H 1 7.626 0.027 15 1 . . . . 72 VAL H . 17202 1 713 . 1 1 72 72 VAL HA H 1 4.150 0.005 6 1 . . . . 72 VAL HA . 17202 1 714 . 1 1 72 72 VAL HG11 H 1 0.782 0.009 19 1 . . . . 72 VAL MG1 . 17202 1 715 . 1 1 72 72 VAL HG12 H 1 0.782 0.009 19 1 . . . . 72 VAL MG1 . 17202 1 716 . 1 1 72 72 VAL HG13 H 1 0.782 0.009 19 1 . . . . 72 VAL MG1 . 17202 1 717 . 1 1 72 72 VAL HG21 H 1 0.782 0.009 19 1 . . . . 72 VAL MG2 . 17202 1 718 . 1 1 72 72 VAL HG22 H 1 0.782 0.009 19 1 . . . . 72 VAL MG2 . 17202 1 719 . 1 1 72 72 VAL HG23 H 1 0.782 0.009 19 1 . . . . 72 VAL MG2 . 17202 1 720 . 1 1 72 72 VAL C C 13 172.934 0.050 1 1 . . . . 72 VAL C . 17202 1 721 . 1 1 72 72 VAL CA C 13 61.951 0.050 1 1 . . . . 72 VAL CA . 17202 1 722 . 1 1 72 72 VAL CB C 13 34.584 0.050 1 1 . . . . 72 VAL CB . 17202 1 723 . 1 1 72 72 VAL CG1 C 13 21.089 0.050 1 1 . . . . 72 VAL CG1 . 17202 1 724 . 1 1 72 72 VAL CG2 C 13 21.089 0.050 1 1 . . . . 72 VAL CG2 . 17202 1 725 . 1 1 72 72 VAL N N 15 117.446 0.362 13 1 . . . . 72 VAL N . 17202 1 726 . 1 1 73 73 LEU H H 1 8.418 0.027 27 1 . . . . 73 LEU H . 17202 1 727 . 1 1 73 73 LEU HA H 1 5.159 0.008 8 1 . . . . 73 LEU HA . 17202 1 728 . 1 1 73 73 LEU HB2 H 1 1.484 0.011 3 2 . . . . 73 LEU HB2 . 17202 1 729 . 1 1 73 73 LEU HB3 H 1 1.017 0.002 2 2 . . . . 73 LEU HB3 . 17202 1 730 . 1 1 73 73 LEU HG H 1 1.340 0.005 2 1 . . . . 73 LEU HG . 17202 1 731 . 1 1 73 73 LEU HD11 H 1 0.677 0.015 3 2 . . . . 73 LEU MD1 . 17202 1 732 . 1 1 73 73 LEU HD12 H 1 0.677 0.015 3 2 . . . . 73 LEU MD1 . 17202 1 733 . 1 1 73 73 LEU HD13 H 1 0.677 0.015 3 2 . . . . 73 LEU MD1 . 17202 1 734 . 1 1 73 73 LEU HD21 H 1 0.542 0.009 8 2 . . . . 73 LEU MD2 . 17202 1 735 . 1 1 73 73 LEU HD22 H 1 0.542 0.009 8 2 . . . . 73 LEU MD2 . 17202 1 736 . 1 1 73 73 LEU HD23 H 1 0.542 0.009 8 2 . . . . 73 LEU MD2 . 17202 1 737 . 1 1 73 73 LEU C C 13 175.390 0.050 1 1 . . . . 73 LEU C . 17202 1 738 . 1 1 73 73 LEU CA C 13 52.685 0.050 1 1 . . . . 73 LEU CA . 17202 1 739 . 1 1 73 73 LEU CB C 13 44.032 0.050 1 1 . . . . 73 LEU CB . 17202 1 740 . 1 1 73 73 LEU N N 15 125.961 0.307 19 1 . . . . 73 LEU N . 17202 1 741 . 1 1 74 74 ILE H H 1 9.220 0.029 13 1 . . . . 74 ILE H . 17202 1 742 . 1 1 74 74 ILE HA H 1 5.152 0.006 11 1 . . . . 74 ILE HA . 17202 1 743 . 1 1 74 74 ILE HG12 H 1 1.307 0.008 7 1 . . . . 74 ILE HG12 . 17202 1 744 . 1 1 74 74 ILE HG13 H 1 1.307 0.008 7 1 . . . . 74 ILE HG13 . 17202 1 745 . 1 1 74 74 ILE HG21 H 1 0.695 0.011 14 1 . . . . 74 ILE MG . 17202 1 746 . 1 1 74 74 ILE HG22 H 1 0.695 0.011 14 1 . . . . 74 ILE MG . 17202 1 747 . 1 1 74 74 ILE HG23 H 1 0.695 0.011 14 1 . . . . 74 ILE MG . 17202 1 748 . 1 1 74 74 ILE HD11 H 1 0.609 0.006 20 1 . . . . 74 ILE MD . 17202 1 749 . 1 1 74 74 ILE HD12 H 1 0.609 0.006 20 1 . . . . 74 ILE MD . 17202 1 750 . 1 1 74 74 ILE HD13 H 1 0.609 0.006 20 1 . . . . 74 ILE MD . 17202 1 751 . 1 1 74 74 ILE C C 13 176.553 0.050 1 1 . . . . 74 ILE C . 17202 1 752 . 1 1 74 74 ILE CA C 13 59.234 0.050 1 1 . . . . 74 ILE CA . 17202 1 753 . 1 1 74 74 ILE CB C 13 39.179 0.050 1 1 . . . . 74 ILE CB . 17202 1 754 . 1 1 74 74 ILE CG2 C 13 14.514 0.050 1 1 . . . . 74 ILE CG2 . 17202 1 755 . 1 1 74 74 ILE CD1 C 13 12.266 0.050 1 1 . . . . 74 ILE CD1 . 17202 1 756 . 1 1 74 74 ILE N N 15 122.587 0.368 13 1 . . . . 74 ILE N . 17202 1 757 . 1 1 75 75 VAL H H 1 8.687 0.025 20 1 . . . . 75 VAL H . 17202 1 758 . 1 1 75 75 VAL HA H 1 4.259 0.003 6 1 . . . . 75 VAL HA . 17202 1 759 . 1 1 75 75 VAL HB H 1 1.503 0.012 8 1 . . . . 75 VAL HB . 17202 1 760 . 1 1 75 75 VAL HG11 H 1 -0.004 0.006 17 2 . . . . 75 VAL MG1 . 17202 1 761 . 1 1 75 75 VAL HG12 H 1 -0.004 0.006 17 2 . . . . 75 VAL MG1 . 17202 1 762 . 1 1 75 75 VAL HG13 H 1 -0.004 0.006 17 2 . . . . 75 VAL MG1 . 17202 1 763 . 1 1 75 75 VAL HG21 H 1 0.465 0.005 12 2 . . . . 75 VAL MG2 . 17202 1 764 . 1 1 75 75 VAL HG22 H 1 0.465 0.005 12 2 . . . . 75 VAL MG2 . 17202 1 765 . 1 1 75 75 VAL HG23 H 1 0.465 0.005 12 2 . . . . 75 VAL MG2 . 17202 1 766 . 1 1 75 75 VAL C C 13 175.346 0.050 1 1 . . . . 75 VAL C . 17202 1 767 . 1 1 75 75 VAL CA C 13 60.787 0.050 1 1 . . . . 75 VAL CA . 17202 1 768 . 1 1 75 75 VAL CB C 13 34.532 0.050 1 1 . . . . 75 VAL CB . 17202 1 769 . 1 1 75 75 VAL CG1 C 13 20.229 0.050 1 1 . . . . 75 VAL CG1 . 17202 1 770 . 1 1 75 75 VAL CG2 C 13 20.229 0.050 1 1 . . . . 75 VAL CG2 . 17202 1 771 . 1 1 75 75 VAL N N 15 126.957 0.336 16 1 . . . . 75 VAL N . 17202 1 772 . 1 1 76 76 ASP H H 1 9.490 0.024 18 1 . . . . 76 ASP H . 17202 1 773 . 1 1 76 76 ASP HA H 1 4.203 0.012 8 1 . . . . 76 ASP HA . 17202 1 774 . 1 1 76 76 ASP HB2 H 1 3.122 0.004 8 2 . . . . 76 ASP HB2 . 17202 1 775 . 1 1 76 76 ASP HB3 H 1 2.530 0.008 10 2 . . . . 76 ASP HB3 . 17202 1 776 . 1 1 76 76 ASP C C 13 175.300 0.050 1 1 . . . . 76 ASP C . 17202 1 777 . 1 1 76 76 ASP CA C 13 55.401 0.153 2 1 . . . . 76 ASP CA . 17202 1 778 . 1 1 76 76 ASP CB C 13 39.757 0.050 1 1 . . . . 76 ASP CB . 17202 1 779 . 1 1 76 76 ASP N N 15 129.795 0.267 15 1 . . . . 76 ASP N . 17202 1 780 . 1 1 77 77 ASN H H 1 8.640 0.023 21 1 . . . . 77 ASN H . 17202 1 781 . 1 1 77 77 ASN HA H 1 4.022 0.008 12 1 . . . . 77 ASN HA . 17202 1 782 . 1 1 77 77 ASN HB2 H 1 3.006 0.007 9 2 . . . . 77 ASN HB2 . 17202 1 783 . 1 1 77 77 ASN HB3 H 1 2.865 0.004 10 2 . . . . 77 ASN HB3 . 17202 1 784 . 1 1 77 77 ASN HD21 H 1 7.447 0.037 7 2 . . . . 77 ASN HD21 . 17202 1 785 . 1 1 77 77 ASN HD22 H 1 6.778 0.003 5 2 . . . . 77 ASN HD22 . 17202 1 786 . 1 1 77 77 ASN C C 13 173.573 0.050 1 1 . . . . 77 ASN C . 17202 1 787 . 1 1 77 77 ASN CA C 13 55.201 0.073 2 1 . . . . 77 ASN CA . 17202 1 788 . 1 1 77 77 ASN CB C 13 38.150 0.041 2 1 . . . . 77 ASN CB . 17202 1 789 . 1 1 77 77 ASN N N 15 108.686 0.239 17 1 . . . . 77 ASN N . 17202 1 790 . 1 1 77 77 ASN ND2 N 15 112.915 0.337 8 1 . . . . 77 ASN ND2 . 17202 1 791 . 1 1 78 78 GLN H H 1 8.059 0.019 33 1 . . . . 78 GLN H . 17202 1 792 . 1 1 78 78 GLN HA H 1 4.420 0.004 8 1 . . . . 78 GLN HA . 17202 1 793 . 1 1 78 78 GLN HB2 H 1 2.190 0.009 6 2 . . . . 78 GLN HB2 . 17202 1 794 . 1 1 78 78 GLN HB3 H 1 1.851 0.014 7 2 . . . . 78 GLN HB3 . 17202 1 795 . 1 1 78 78 GLN HG2 H 1 2.311 0.003 3 2 . . . . 78 GLN HG2 . 17202 1 796 . 1 1 78 78 GLN HG3 H 1 2.195 0.002 3 2 . . . . 78 GLN HG3 . 17202 1 797 . 1 1 78 78 GLN HE21 H 1 7.221 0.038 9 2 . . . . 78 GLN HE21 . 17202 1 798 . 1 1 78 78 GLN HE22 H 1 7.156 0.042 5 2 . . . . 78 GLN HE22 . 17202 1 799 . 1 1 78 78 GLN C C 13 173.142 0.050 1 1 . . . . 78 GLN C . 17202 1 800 . 1 1 78 78 GLN CA C 13 54.638 0.039 2 1 . . . . 78 GLN CA . 17202 1 801 . 1 1 78 78 GLN CB C 13 31.613 0.050 1 1 . . . . 78 GLN CB . 17202 1 802 . 1 1 78 78 GLN CG C 13 33.916 0.050 1 1 . . . . 78 GLN CG . 17202 1 803 . 1 1 78 78 GLN N N 15 120.819 0.223 19 1 . . . . 78 GLN N . 17202 1 804 . 1 1 78 78 GLN NE2 N 15 111.653 0.300 2 1 . . . . 78 GLN NE2 . 17202 1 805 . 1 1 79 79 LYS H H 1 7.883 0.023 21 1 . . . . 79 LYS H . 17202 1 806 . 1 1 79 79 LYS HA H 1 4.581 0.010 15 1 . . . . 79 LYS HA . 17202 1 807 . 1 1 79 79 LYS HB2 H 1 1.474 0.007 15 1 . . . . 79 LYS HB2 . 17202 1 808 . 1 1 79 79 LYS HB3 H 1 1.474 0.007 15 1 . . . . 79 LYS HB3 . 17202 1 809 . 1 1 79 79 LYS HG2 H 1 1.291 0.009 9 2 . . . . 79 LYS HG2 . 17202 1 810 . 1 1 79 79 LYS HG3 H 1 0.995 0.015 9 2 . . . . 79 LYS HG3 . 17202 1 811 . 1 1 79 79 LYS HD2 H 1 1.774 0.006 3 1 . . . . 79 LYS HD2 . 17202 1 812 . 1 1 79 79 LYS HD3 H 1 1.774 0.006 3 1 . . . . 79 LYS HD3 . 17202 1 813 . 1 1 79 79 LYS HE2 H 1 2.773 0.006 9 1 . . . . 79 LYS HE2 . 17202 1 814 . 1 1 79 79 LYS HE3 H 1 2.773 0.006 9 1 . . . . 79 LYS HE3 . 17202 1 815 . 1 1 79 79 LYS C C 13 175.358 0.050 1 1 . . . . 79 LYS C . 17202 1 816 . 1 1 79 79 LYS CA C 13 56.204 0.050 1 1 . . . . 79 LYS CA . 17202 1 817 . 1 1 79 79 LYS CB C 13 34.095 0.050 1 1 . . . . 79 LYS CB . 17202 1 818 . 1 1 79 79 LYS N N 15 120.891 0.271 13 1 . . . . 79 LYS N . 17202 1 819 . 1 1 80 80 TYR H H 1 9.375 0.023 25 1 . . . . 80 TYR H . 17202 1 820 . 1 1 80 80 TYR HA H 1 4.546 0.007 7 1 . . . . 80 TYR HA . 17202 1 821 . 1 1 80 80 TYR HB2 H 1 2.925 0.012 4 2 . . . . 80 TYR HB2 . 17202 1 822 . 1 1 80 80 TYR HB3 H 1 2.454 0.009 7 2 . . . . 80 TYR HB3 . 17202 1 823 . 1 1 80 80 TYR HD1 H 1 6.781 0.012 14 1 . . . . 80 TYR HD1 . 17202 1 824 . 1 1 80 80 TYR HD2 H 1 6.781 0.012 14 1 . . . . 80 TYR HD2 . 17202 1 825 . 1 1 80 80 TYR HE1 H 1 6.598 0.010 15 1 . . . . 80 TYR HE1 . 17202 1 826 . 1 1 80 80 TYR HE2 H 1 6.598 0.010 15 1 . . . . 80 TYR HE2 . 17202 1 827 . 1 1 80 80 TYR C C 13 175.058 0.050 1 1 . . . . 80 TYR C . 17202 1 828 . 1 1 80 80 TYR CA C 13 56.979 0.050 1 1 . . . . 80 TYR CA . 17202 1 829 . 1 1 80 80 TYR CB C 13 42.969 0.050 1 1 . . . . 80 TYR CB . 17202 1 830 . 1 1 80 80 TYR N N 15 122.323 0.238 19 1 . . . . 80 TYR N . 17202 1 831 . 1 1 81 81 ASN H H 1 9.099 0.019 29 1 . . . . 81 ASN H . 17202 1 832 . 1 1 81 81 ASN HA H 1 4.899 0.011 11 1 . . . . 81 ASN HA . 17202 1 833 . 1 1 81 81 ASN HB2 H 1 2.942 0.007 9 2 . . . . 81 ASN HB2 . 17202 1 834 . 1 1 81 81 ASN HB3 H 1 2.702 0.005 10 2 . . . . 81 ASN HB3 . 17202 1 835 . 1 1 81 81 ASN HD21 H 1 7.727 0.039 6 2 . . . . 81 ASN HD21 . 17202 1 836 . 1 1 81 81 ASN HD22 H 1 6.912 0.040 6 2 . . . . 81 ASN HD22 . 17202 1 837 . 1 1 81 81 ASN C C 13 174.740 0.050 1 1 . . . . 81 ASN C . 17202 1 838 . 1 1 81 81 ASN CA C 13 54.532 0.021 2 1 . . . . 81 ASN CA . 17202 1 839 . 1 1 81 81 ASN CB C 13 40.404 0.011 2 1 . . . . 81 ASN CB . 17202 1 840 . 1 1 81 81 ASN N N 15 116.248 0.239 19 1 . . . . 81 ASN N . 17202 1 841 . 1 1 81 81 ASN ND2 N 15 113.401 0.403 9 1 . . . . 81 ASN ND2 . 17202 1 842 . 1 1 82 82 ASP H H 1 7.406 0.021 26 1 . . . . 82 ASP H . 17202 1 843 . 1 1 82 82 ASP HA H 1 4.569 0.008 7 1 . . . . 82 ASP HA . 17202 1 844 . 1 1 82 82 ASP HB2 H 1 3.009 0.011 5 1 . . . . 82 ASP HB2 . 17202 1 845 . 1 1 82 82 ASP HB3 H 1 3.009 0.011 5 1 . . . . 82 ASP HB3 . 17202 1 846 . 1 1 82 82 ASP C C 13 175.292 0.050 1 1 . . . . 82 ASP C . 17202 1 847 . 1 1 82 82 ASP CA C 13 53.262 0.023 2 1 . . . . 82 ASP CA . 17202 1 848 . 1 1 82 82 ASP CB C 13 41.954 0.050 1 1 . . . . 82 ASP CB . 17202 1 849 . 1 1 82 82 ASP N N 15 111.422 0.220 19 1 . . . . 82 ASP N . 17202 1 850 . 1 1 83 83 LEU H H 1 8.605 0.028 13 1 . . . . 83 LEU H . 17202 1 851 . 1 1 83 83 LEU HA H 1 3.715 0.012 8 1 . . . . 83 LEU HA . 17202 1 852 . 1 1 83 83 LEU HB2 H 1 1.574 0.018 3 2 . . . . 83 LEU HB2 . 17202 1 853 . 1 1 83 83 LEU HB3 H 1 0.847 0.003 1 2 . . . . 83 LEU HB3 . 17202 1 854 . 1 1 83 83 LEU HG H 1 0.639 0.001 2 1 . . . . 83 LEU HG . 17202 1 855 . 1 1 83 83 LEU HD11 H 1 0.451 0.011 12 1 . . . . 83 LEU MD1 . 17202 1 856 . 1 1 83 83 LEU HD12 H 1 0.451 0.011 12 1 . . . . 83 LEU MD1 . 17202 1 857 . 1 1 83 83 LEU HD13 H 1 0.451 0.011 12 1 . . . . 83 LEU MD1 . 17202 1 858 . 1 1 83 83 LEU HD21 H 1 0.451 0.011 12 1 . . . . 83 LEU MD2 . 17202 1 859 . 1 1 83 83 LEU HD22 H 1 0.451 0.011 12 1 . . . . 83 LEU MD2 . 17202 1 860 . 1 1 83 83 LEU HD23 H 1 0.451 0.011 12 1 . . . . 83 LEU MD2 . 17202 1 861 . 1 1 83 83 LEU C C 13 178.530 0.050 1 1 . . . . 83 LEU C . 17202 1 862 . 1 1 83 83 LEU CA C 13 57.878 0.050 1 1 . . . . 83 LEU CA . 17202 1 863 . 1 1 83 83 LEU CB C 13 41.813 0.050 1 1 . . . . 83 LEU CB . 17202 1 864 . 1 1 83 83 LEU N N 15 118.261 0.275 13 1 . . . . 83 LEU N . 17202 1 865 . 1 1 84 84 ASP H H 1 8.125 0.005 15 1 . . . . 84 ASP H . 17202 1 866 . 1 1 84 84 ASP HA H 1 4.527 0.008 10 1 . . . . 84 ASP HA . 17202 1 867 . 1 1 84 84 ASP HB2 H 1 2.682 0.011 6 1 . . . . 84 ASP HB2 . 17202 1 868 . 1 1 84 84 ASP HB3 H 1 2.682 0.011 6 1 . . . . 84 ASP HB3 . 17202 1 869 . 1 1 84 84 ASP C C 13 178.138 0.050 1 1 . . . . 84 ASP C . 17202 1 870 . 1 1 84 84 ASP CA C 13 58.244 0.050 1 1 . . . . 84 ASP CA . 17202 1 871 . 1 1 84 84 ASP CB C 13 40.314 0.050 1 1 . . . . 84 ASP CB . 17202 1 872 . 1 1 84 84 ASP N N 15 118.490 0.030 11 1 . . . . 84 ASP N . 17202 1 873 . 1 1 85 85 GLN H H 1 8.547 0.028 14 1 . . . . 85 GLN H . 17202 1 874 . 1 1 85 85 GLN HA H 1 4.047 0.011 11 1 . . . . 85 GLN HA . 17202 1 875 . 1 1 85 85 GLN HB2 H 1 2.263 0.007 15 1 . . . . 85 GLN HB2 . 17202 1 876 . 1 1 85 85 GLN HB3 H 1 2.263 0.007 15 1 . . . . 85 GLN HB3 . 17202 1 877 . 1 1 85 85 GLN HG2 H 1 2.727 0.010 6 1 . . . . 85 GLN HG2 . 17202 1 878 . 1 1 85 85 GLN HG3 H 1 2.727 0.010 6 1 . . . . 85 GLN HG3 . 17202 1 879 . 1 1 85 85 GLN HE21 H 1 7.839 0.031 11 2 . . . . 85 GLN HE21 . 17202 1 880 . 1 1 85 85 GLN HE22 H 1 6.885 0.001 4 2 . . . . 85 GLN HE22 . 17202 1 881 . 1 1 85 85 GLN C C 13 178.707 0.050 1 1 . . . . 85 GLN C . 17202 1 882 . 1 1 85 85 GLN CA C 13 59.150 0.050 1 1 . . . . 85 GLN CA . 17202 1 883 . 1 1 85 85 GLN CB C 13 28.625 0.050 1 1 . . . . 85 GLN CB . 17202 1 884 . 1 1 85 85 GLN CG C 13 33.999 0.050 1 1 . . . . 85 GLN CG . 17202 1 885 . 1 1 85 85 GLN N N 15 121.211 0.329 8 1 . . . . 85 GLN N . 17202 1 886 . 1 1 85 85 GLN NE2 N 15 112.112 0.449 4 1 . . . . 85 GLN NE2 . 17202 1 887 . 1 1 86 86 ILE H H 1 7.101 0.021 27 1 . . . . 86 ILE H . 17202 1 888 . 1 1 86 86 ILE HA H 1 2.732 0.011 6 1 . . . . 86 ILE HA . 17202 1 889 . 1 1 86 86 ILE HB H 1 1.743 0.006 5 1 . . . . 86 ILE HB . 17202 1 890 . 1 1 86 86 ILE HG12 H 1 0.500 0.006 14 1 . . . . 86 ILE HG12 . 17202 1 891 . 1 1 86 86 ILE HG13 H 1 0.500 0.006 14 1 . . . . 86 ILE HG13 . 17202 1 892 . 1 1 86 86 ILE HG21 H 1 0.299 0.009 14 1 . . . . 86 ILE MG . 17202 1 893 . 1 1 86 86 ILE HG22 H 1 0.299 0.009 14 1 . . . . 86 ILE MG . 17202 1 894 . 1 1 86 86 ILE HG23 H 1 0.299 0.009 14 1 . . . . 86 ILE MG . 17202 1 895 . 1 1 86 86 ILE HD11 H 1 -0.037 0.014 12 1 . . . . 86 ILE MD . 17202 1 896 . 1 1 86 86 ILE HD12 H 1 -0.037 0.014 12 1 . . . . 86 ILE MD . 17202 1 897 . 1 1 86 86 ILE HD13 H 1 -0.037 0.014 12 1 . . . . 86 ILE MD . 17202 1 898 . 1 1 86 86 ILE C C 13 178.501 0.050 1 1 . . . . 86 ILE C . 17202 1 899 . 1 1 86 86 ILE CA C 13 65.096 0.121 2 1 . . . . 86 ILE CA . 17202 1 900 . 1 1 86 86 ILE CB C 13 37.601 0.050 1 1 . . . . 86 ILE CB . 17202 1 901 . 1 1 86 86 ILE CG2 C 13 17.048 0.050 1 1 . . . . 86 ILE CG2 . 17202 1 902 . 1 1 86 86 ILE N N 15 117.211 0.301 22 1 . . . . 86 ILE N . 17202 1 903 . 1 1 87 87 ILE H H 1 8.029 0.031 19 1 . . . . 87 ILE H . 17202 1 904 . 1 1 87 87 ILE HA H 1 3.153 0.012 7 1 . . . . 87 ILE HA . 17202 1 905 . 1 1 87 87 ILE HB H 1 2.045 0.015 4 1 . . . . 87 ILE HB . 17202 1 906 . 1 1 87 87 ILE HG12 H 1 1.416 0.003 1 1 . . . . 87 ILE HG12 . 17202 1 907 . 1 1 87 87 ILE HG13 H 1 1.416 0.003 1 1 . . . . 87 ILE HG13 . 17202 1 908 . 1 1 87 87 ILE HG21 H 1 0.737 0.008 9 1 . . . . 87 ILE MG . 17202 1 909 . 1 1 87 87 ILE HG22 H 1 0.737 0.008 9 1 . . . . 87 ILE MG . 17202 1 910 . 1 1 87 87 ILE HG23 H 1 0.737 0.008 9 1 . . . . 87 ILE MG . 17202 1 911 . 1 1 87 87 ILE HD11 H 1 0.694 0.005 2 1 . . . . 87 ILE MD . 17202 1 912 . 1 1 87 87 ILE HD12 H 1 0.694 0.005 2 1 . . . . 87 ILE MD . 17202 1 913 . 1 1 87 87 ILE HD13 H 1 0.694 0.005 2 1 . . . . 87 ILE MD . 17202 1 914 . 1 1 87 87 ILE C C 13 176.541 0.050 1 1 . . . . 87 ILE C . 17202 1 915 . 1 1 87 87 ILE CA C 13 65.575 0.050 1 1 . . . . 87 ILE CA . 17202 1 916 . 1 1 87 87 ILE CB C 13 37.359 0.050 1 1 . . . . 87 ILE CB . 17202 1 917 . 1 1 87 87 ILE N N 15 121.973 0.357 16 1 . . . . 87 ILE N . 17202 1 918 . 1 1 88 88 VAL H H 1 8.139 0.023 21 1 . . . . 88 VAL H . 17202 1 919 . 1 1 88 88 VAL HA H 1 3.661 0.010 11 1 . . . . 88 VAL HA . 17202 1 920 . 1 1 88 88 VAL HB H 1 1.978 0.006 9 1 . . . . 88 VAL HB . 17202 1 921 . 1 1 88 88 VAL HG11 H 1 1.020 0.007 9 2 . . . . 88 VAL MG1 . 17202 1 922 . 1 1 88 88 VAL HG12 H 1 1.020 0.007 9 2 . . . . 88 VAL MG1 . 17202 1 923 . 1 1 88 88 VAL HG13 H 1 1.020 0.007 9 2 . . . . 88 VAL MG1 . 17202 1 924 . 1 1 88 88 VAL HG21 H 1 0.905 0.003 8 2 . . . . 88 VAL MG2 . 17202 1 925 . 1 1 88 88 VAL HG22 H 1 0.905 0.003 8 2 . . . . 88 VAL MG2 . 17202 1 926 . 1 1 88 88 VAL HG23 H 1 0.905 0.003 8 2 . . . . 88 VAL MG2 . 17202 1 927 . 1 1 88 88 VAL C C 13 177.006 0.050 1 1 . . . . 88 VAL C . 17202 1 928 . 1 1 88 88 VAL CA C 13 65.669 0.095 2 1 . . . . 88 VAL CA . 17202 1 929 . 1 1 88 88 VAL CB C 13 32.913 0.092 2 1 . . . . 88 VAL CB . 17202 1 930 . 1 1 88 88 VAL CG1 C 13 21.806 0.050 1 1 . . . . 88 VAL CG1 . 17202 1 931 . 1 1 88 88 VAL CG2 C 13 21.806 0.050 1 1 . . . . 88 VAL CG2 . 17202 1 932 . 1 1 88 88 VAL N N 15 116.780 0.337 17 1 . . . . 88 VAL N . 17202 1 933 . 1 1 89 89 GLU H H 1 8.476 0.030 22 1 . . . . 89 GLU H . 17202 1 934 . 1 1 89 89 GLU HA H 1 4.243 0.009 11 1 . . . . 89 GLU HA . 17202 1 935 . 1 1 89 89 GLU HB2 H 1 2.240 0.045 3 1 . . . . 89 GLU HB2 . 17202 1 936 . 1 1 89 89 GLU HB3 H 1 2.240 0.045 3 1 . . . . 89 GLU HB3 . 17202 1 937 . 1 1 89 89 GLU HG2 H 1 2.525 0.010 7 1 . . . . 89 GLU HG2 . 17202 1 938 . 1 1 89 89 GLU HG3 H 1 2.525 0.010 7 1 . . . . 89 GLU HG3 . 17202 1 939 . 1 1 89 89 GLU C C 13 178.024 0.050 1 1 . . . . 89 GLU C . 17202 1 940 . 1 1 89 89 GLU CA C 13 58.136 0.038 2 1 . . . . 89 GLU CA . 17202 1 941 . 1 1 89 89 GLU CB C 13 30.379 0.050 1 1 . . . . 89 GLU CB . 17202 1 942 . 1 1 89 89 GLU CG C 13 36.426 0.050 1 1 . . . . 89 GLU CG . 17202 1 943 . 1 1 89 89 GLU N N 15 115.305 0.313 16 1 . . . . 89 GLU N . 17202 1 944 . 1 1 90 90 TYR H H 1 7.683 0.028 29 1 . . . . 90 TYR H . 17202 1 945 . 1 1 90 90 TYR HA H 1 4.489 0.001 2 1 . . . . 90 TYR HA . 17202 1 946 . 1 1 90 90 TYR HB2 H 1 3.341 0.004 4 1 . . . . 90 TYR HB2 . 17202 1 947 . 1 1 90 90 TYR HB3 H 1 3.341 0.004 4 1 . . . . 90 TYR HB3 . 17202 1 948 . 1 1 90 90 TYR HD1 H 1 6.772 0.004 7 1 . . . . 90 TYR HD1 . 17202 1 949 . 1 1 90 90 TYR HD2 H 1 6.772 0.004 7 1 . . . . 90 TYR HD2 . 17202 1 950 . 1 1 90 90 TYR HE1 H 1 6.599 0.011 7 1 . . . . 90 TYR HE1 . 17202 1 951 . 1 1 90 90 TYR HE2 H 1 6.599 0.011 7 1 . . . . 90 TYR HE2 . 17202 1 952 . 1 1 90 90 TYR C C 13 176.117 0.050 1 1 . . . . 90 TYR C . 17202 1 953 . 1 1 90 90 TYR CA C 13 59.992 0.050 1 1 . . . . 90 TYR CA . 17202 1 954 . 1 1 90 90 TYR CB C 13 38.286 0.050 1 1 . . . . 90 TYR CB . 17202 1 955 . 1 1 90 90 TYR N N 15 119.980 0.340 17 1 . . . . 90 TYR N . 17202 1 956 . 1 1 91 91 LEU H H 1 8.366 0.026 14 1 . . . . 91 LEU H . 17202 1 957 . 1 1 91 91 LEU HA H 1 3.236 0.013 4 1 . . . . 91 LEU HA . 17202 1 958 . 1 1 91 91 LEU HD11 H 1 -0.064 0.005 12 2 . . . . 91 LEU MD1 . 17202 1 959 . 1 1 91 91 LEU HD12 H 1 -0.064 0.005 12 2 . . . . 91 LEU MD1 . 17202 1 960 . 1 1 91 91 LEU HD13 H 1 -0.064 0.005 12 2 . . . . 91 LEU MD1 . 17202 1 961 . 1 1 91 91 LEU HD21 H 1 -0.390 0.008 14 2 . . . . 91 LEU MD2 . 17202 1 962 . 1 1 91 91 LEU HD22 H 1 -0.390 0.008 14 2 . . . . 91 LEU MD2 . 17202 1 963 . 1 1 91 91 LEU HD23 H 1 -0.390 0.008 14 2 . . . . 91 LEU MD2 . 17202 1 964 . 1 1 91 91 LEU C C 13 178.493 0.050 1 1 . . . . 91 LEU C . 17202 1 965 . 1 1 91 91 LEU CA C 13 58.439 0.050 1 1 . . . . 91 LEU CA . 17202 1 966 . 1 1 91 91 LEU CB C 13 41.879 0.050 1 1 . . . . 91 LEU CB . 17202 1 967 . 1 1 91 91 LEU N N 15 121.163 0.377 6 1 . . . . 91 LEU N . 17202 1 968 . 1 1 92 92 GLN H H 1 8.732 0.023 20 1 . . . . 92 GLN H . 17202 1 969 . 1 1 92 92 GLN HA H 1 3.698 0.014 11 1 . . . . 92 GLN HA . 17202 1 970 . 1 1 92 92 GLN HB2 H 1 2.343 0.007 9 2 . . . . 92 GLN HB2 . 17202 1 971 . 1 1 92 92 GLN HB3 H 1 1.973 0.010 9 2 . . . . 92 GLN HB3 . 17202 1 972 . 1 1 92 92 GLN HG2 H 1 2.479 0.003 6 2 . . . . 92 GLN HG2 . 17202 1 973 . 1 1 92 92 GLN HG3 H 1 2.345 0.002 6 2 . . . . 92 GLN HG3 . 17202 1 974 . 1 1 92 92 GLN HE21 H 1 7.116 0.034 9 2 . . . . 92 GLN HE21 . 17202 1 975 . 1 1 92 92 GLN HE22 H 1 6.824 0.043 5 2 . . . . 92 GLN HE22 . 17202 1 976 . 1 1 92 92 GLN C C 13 179.295 0.050 1 1 . . . . 92 GLN C . 17202 1 977 . 1 1 92 92 GLN CA C 13 59.577 0.007 2 1 . . . . 92 GLN CA . 17202 1 978 . 1 1 92 92 GLN CB C 13 27.420 0.050 1 1 . . . . 92 GLN CB . 17202 1 979 . 1 1 92 92 GLN CG C 13 34.706 0.050 1 1 . . . . 92 GLN CG . 17202 1 980 . 1 1 92 92 GLN N N 15 115.719 0.320 14 1 . . . . 92 GLN N . 17202 1 981 . 1 1 92 92 GLN NE2 N 15 109.787 0.427 9 1 . . . . 92 GLN NE2 . 17202 1 982 . 1 1 93 93 ASN H H 1 6.228 0.024 20 1 . . . . 93 ASN H . 17202 1 983 . 1 1 93 93 ASN HA H 1 4.590 0.012 5 1 . . . . 93 ASN HA . 17202 1 984 . 1 1 93 93 ASN HB2 H 1 2.873 0.006 6 1 . . . . 93 ASN HB2 . 17202 1 985 . 1 1 93 93 ASN HB3 H 1 2.873 0.006 6 1 . . . . 93 ASN HB3 . 17202 1 986 . 1 1 93 93 ASN HD21 H 1 8.015 0.038 7 2 . . . . 93 ASN HD21 . 17202 1 987 . 1 1 93 93 ASN HD22 H 1 7.222 0.035 8 2 . . . . 93 ASN HD22 . 17202 1 988 . 1 1 93 93 ASN C C 13 176.248 0.050 1 1 . . . . 93 ASN C . 17202 1 989 . 1 1 93 93 ASN CA C 13 56.313 0.050 1 1 . . . . 93 ASN CA . 17202 1 990 . 1 1 93 93 ASN CB C 13 39.575 0.050 1 1 . . . . 93 ASN CB . 17202 1 991 . 1 1 93 93 ASN N N 15 115.060 0.263 13 1 . . . . 93 ASN N . 17202 1 992 . 1 1 93 93 ASN ND2 N 15 116.894 0.500 5 1 . . . . 93 ASN ND2 . 17202 1 993 . 1 1 94 94 LYS H H 1 7.221 0.005 21 1 . . . . 94 LYS H . 17202 1 994 . 1 1 94 94 LYS HA H 1 3.683 0.011 5 1 . . . . 94 LYS HA . 17202 1 995 . 1 1 94 94 LYS HB2 H 1 1.244 0.007 8 1 . . . . 94 LYS HB2 . 17202 1 996 . 1 1 94 94 LYS HB3 H 1 1.244 0.007 8 1 . . . . 94 LYS HB3 . 17202 1 997 . 1 1 94 94 LYS HG2 H 1 0.974 0.009 6 1 . . . . 94 LYS HG2 . 17202 1 998 . 1 1 94 94 LYS HG3 H 1 0.974 0.009 6 1 . . . . 94 LYS HG3 . 17202 1 999 . 1 1 94 94 LYS HD2 H 1 1.805 0.014 6 1 . . . . 94 LYS HD2 . 17202 1 1000 . 1 1 94 94 LYS HD3 H 1 1.805 0.014 6 1 . . . . 94 LYS HD3 . 17202 1 1001 . 1 1 94 94 LYS HE2 H 1 2.468 0.003 1 1 . . . . 94 LYS HE2 . 17202 1 1002 . 1 1 94 94 LYS HE3 H 1 2.468 0.003 1 1 . . . . 94 LYS HE3 . 17202 1 1003 . 1 1 94 94 LYS C C 13 178.049 0.050 1 1 . . . . 94 LYS C . 17202 1 1004 . 1 1 94 94 LYS CA C 13 61.669 0.050 1 1 . . . . 94 LYS CA . 17202 1 1005 . 1 1 94 94 LYS CB C 13 32.665 0.050 1 1 . . . . 94 LYS CB . 17202 1 1006 . 1 1 94 94 LYS N N 15 120.264 0.052 13 1 . . . . 94 LYS N . 17202 1 1007 . 1 1 95 95 VAL H H 1 8.107 0.008 15 1 . . . . 95 VAL H . 17202 1 1008 . 1 1 95 95 VAL HA H 1 3.432 0.007 6 1 . . . . 95 VAL HA . 17202 1 1009 . 1 1 95 95 VAL HB H 1 1.968 0.011 3 1 . . . . 95 VAL HB . 17202 1 1010 . 1 1 95 95 VAL HG11 H 1 0.806 0.003 5 1 . . . . 95 VAL MG1 . 17202 1 1011 . 1 1 95 95 VAL HG12 H 1 0.806 0.003 5 1 . . . . 95 VAL MG1 . 17202 1 1012 . 1 1 95 95 VAL HG13 H 1 0.806 0.003 5 1 . . . . 95 VAL MG1 . 17202 1 1013 . 1 1 95 95 VAL HG21 H 1 0.806 0.003 5 1 . . . . 95 VAL MG2 . 17202 1 1014 . 1 1 95 95 VAL HG22 H 1 0.806 0.003 5 1 . . . . 95 VAL MG2 . 17202 1 1015 . 1 1 95 95 VAL HG23 H 1 0.806 0.003 5 1 . . . . 95 VAL MG2 . 17202 1 1016 . 1 1 95 95 VAL C C 13 177.523 0.050 1 1 . . . . 95 VAL C . 17202 1 1017 . 1 1 95 95 VAL CA C 13 67.204 0.091 2 1 . . . . 95 VAL CA . 17202 1 1018 . 1 1 95 95 VAL CB C 13 31.687 0.050 1 1 . . . . 95 VAL CB . 17202 1 1019 . 1 1 95 95 VAL CG1 C 13 21.861 0.050 1 1 . . . . 95 VAL CG1 . 17202 1 1020 . 1 1 95 95 VAL CG2 C 13 21.861 0.050 1 1 . . . . 95 VAL CG2 . 17202 1 1021 . 1 1 95 95 VAL N N 15 118.443 0.053 8 1 . . . . 95 VAL N . 17202 1 1022 . 1 1 96 96 ARG H H 1 7.865 0.035 18 1 . . . . 96 ARG H . 17202 1 1023 . 1 1 96 96 ARG HA H 1 4.098 0.010 4 1 . . . . 96 ARG HA . 17202 1 1024 . 1 1 96 96 ARG HB2 H 1 1.933 0.003 2 1 . . . . 96 ARG HB2 . 17202 1 1025 . 1 1 96 96 ARG HB3 H 1 1.933 0.003 2 1 . . . . 96 ARG HB3 . 17202 1 1026 . 1 1 96 96 ARG HD2 H 1 3.092 0.003 1 1 . . . . 96 ARG HD2 . 17202 1 1027 . 1 1 96 96 ARG HD3 H 1 3.092 0.003 1 1 . . . . 96 ARG HD3 . 17202 1 1028 . 1 1 96 96 ARG C C 13 179.752 0.050 1 1 . . . . 96 ARG C . 17202 1 1029 . 1 1 96 96 ARG CA C 13 59.780 0.050 1 1 . . . . 96 ARG CA . 17202 1 1030 . 1 1 96 96 ARG CB C 13 29.773 0.050 1 1 . . . . 96 ARG CB . 17202 1 1031 . 1 1 96 96 ARG N N 15 121.313 0.398 8 1 . . . . 96 ARG N . 17202 1 1032 . 1 1 97 97 LEU H H 1 8.155 0.034 9 1 . . . . 97 LEU H . 17202 1 1033 . 1 1 97 97 LEU HA H 1 4.108 0.016 7 1 . . . . 97 LEU HA . 17202 1 1034 . 1 1 97 97 LEU HD11 H 1 0.280 0.007 7 1 . . . . 97 LEU MD1 . 17202 1 1035 . 1 1 97 97 LEU HD12 H 1 0.280 0.007 7 1 . . . . 97 LEU MD1 . 17202 1 1036 . 1 1 97 97 LEU HD13 H 1 0.280 0.007 7 1 . . . . 97 LEU MD1 . 17202 1 1037 . 1 1 97 97 LEU HD21 H 1 0.280 0.007 7 1 . . . . 97 LEU MD2 . 17202 1 1038 . 1 1 97 97 LEU HD22 H 1 0.280 0.007 7 1 . . . . 97 LEU MD2 . 17202 1 1039 . 1 1 97 97 LEU HD23 H 1 0.280 0.007 7 1 . . . . 97 LEU MD2 . 17202 1 1040 . 1 1 97 97 LEU C C 13 181.506 0.050 1 1 . . . . 97 LEU C . 17202 1 1041 . 1 1 97 97 LEU CA C 13 57.309 0.050 1 1 . . . . 97 LEU CA . 17202 1 1042 . 1 1 97 97 LEU CB C 13 42.103 0.050 1 1 . . . . 97 LEU CB . 17202 1 1043 . 1 1 97 97 LEU N N 15 120.500 0.399 9 1 . . . . 97 LEU N . 17202 1 1044 . 1 1 98 98 LEU H H 1 8.851 0.029 21 1 . . . . 98 LEU H . 17202 1 1045 . 1 1 98 98 LEU HA H 1 4.269 0.013 4 1 . . . . 98 LEU HA . 17202 1 1046 . 1 1 98 98 LEU HB2 H 1 1.750 0.010 3 1 . . . . 98 LEU HB2 . 17202 1 1047 . 1 1 98 98 LEU HB3 H 1 1.750 0.010 3 1 . . . . 98 LEU HB3 . 17202 1 1048 . 1 1 98 98 LEU HD11 H 1 0.269 0.015 7 1 . . . . 98 LEU MD1 . 17202 1 1049 . 1 1 98 98 LEU HD12 H 1 0.269 0.015 7 1 . . . . 98 LEU MD1 . 17202 1 1050 . 1 1 98 98 LEU HD13 H 1 0.269 0.015 7 1 . . . . 98 LEU MD1 . 17202 1 1051 . 1 1 98 98 LEU HD21 H 1 0.269 0.015 7 1 . . . . 98 LEU MD2 . 17202 1 1052 . 1 1 98 98 LEU HD22 H 1 0.269 0.015 7 1 . . . . 98 LEU MD2 . 17202 1 1053 . 1 1 98 98 LEU HD23 H 1 0.269 0.015 7 1 . . . . 98 LEU MD2 . 17202 1 1054 . 1 1 98 98 LEU C C 13 177.412 0.050 1 1 . . . . 98 LEU C . 17202 1 1055 . 1 1 98 98 LEU CA C 13 59.104 0.050 1 1 . . . . 98 LEU CA . 17202 1 1056 . 1 1 98 98 LEU CB C 13 41.591 0.050 1 1 . . . . 98 LEU CB . 17202 1 1057 . 1 1 98 98 LEU N N 15 127.429 0.336 15 1 . . . . 98 LEU N . 17202 1 1058 . 1 1 99 99 ASN H H 1 8.479 0.005 17 1 . . . . 99 ASN H . 17202 1 1059 . 1 1 99 99 ASN HA H 1 4.473 0.012 11 1 . . . . 99 ASN HA . 17202 1 1060 . 1 1 99 99 ASN HB2 H 1 2.867 0.011 4 2 . . . . 99 ASN HB2 . 17202 1 1061 . 1 1 99 99 ASN HB3 H 1 2.713 0.005 3 2 . . . . 99 ASN HB3 . 17202 1 1062 . 1 1 99 99 ASN HD21 H 1 7.368 0.038 7 2 . . . . 99 ASN HD21 . 17202 1 1063 . 1 1 99 99 ASN HD22 H 1 6.974 0.051 3 2 . . . . 99 ASN HD22 . 17202 1 1064 . 1 1 99 99 ASN C C 13 177.935 0.050 1 1 . . . . 99 ASN C . 17202 1 1065 . 1 1 99 99 ASN CA C 13 55.637 0.050 1 1 . . . . 99 ASN CA . 17202 1 1066 . 1 1 99 99 ASN CB C 13 37.860 0.050 1 1 . . . . 99 ASN CB . 17202 1 1067 . 1 1 99 99 ASN N N 15 118.474 0.089 12 1 . . . . 99 ASN N . 17202 1 1068 . 1 1 99 99 ASN ND2 N 15 113.531 0.009 2 1 . . . . 99 ASN ND2 . 17202 1 1069 . 1 1 100 100 GLU H H 1 8.538 0.026 17 1 . . . . 100 GLU H . 17202 1 1070 . 1 1 100 100 GLU HA H 1 3.877 0.011 9 1 . . . . 100 GLU HA . 17202 1 1071 . 1 1 100 100 GLU HB2 H 1 2.165 0.010 12 1 . . . . 100 GLU HB2 . 17202 1 1072 . 1 1 100 100 GLU HB3 H 1 2.165 0.010 12 1 . . . . 100 GLU HB3 . 17202 1 1073 . 1 1 100 100 GLU HG2 H 1 2.419 0.017 6 1 . . . . 100 GLU HG2 . 17202 1 1074 . 1 1 100 100 GLU HG3 H 1 2.419 0.017 6 1 . . . . 100 GLU HG3 . 17202 1 1075 . 1 1 100 100 GLU C C 13 178.162 0.050 1 1 . . . . 100 GLU C . 17202 1 1076 . 1 1 100 100 GLU CA C 13 59.640 0.045 2 1 . . . . 100 GLU CA . 17202 1 1077 . 1 1 100 100 GLU CB C 13 29.400 0.050 1 1 . . . . 100 GLU CB . 17202 1 1078 . 1 1 100 100 GLU CG C 13 36.367 0.050 1 1 . . . . 100 GLU CG . 17202 1 1079 . 1 1 100 100 GLU N N 15 122.600 0.360 14 1 . . . . 100 GLU N . 17202 1 1080 . 1 1 101 101 MET H H 1 7.344 0.023 24 1 . . . . 101 MET H . 17202 1 1081 . 1 1 101 101 MET HA H 1 4.196 0.012 6 1 . . . . 101 MET HA . 17202 1 1082 . 1 1 101 101 MET HB2 H 1 2.156 0.003 3 1 . . . . 101 MET HB2 . 17202 1 1083 . 1 1 101 101 MET HB3 H 1 2.156 0.003 3 1 . . . . 101 MET HB3 . 17202 1 1084 . 1 1 101 101 MET HG2 H 1 2.433 0.006 4 1 . . . . 101 MET HG2 . 17202 1 1085 . 1 1 101 101 MET HG3 H 1 2.433 0.006 4 1 . . . . 101 MET HG3 . 17202 1 1086 . 1 1 101 101 MET HE1 H 1 -0.022 0.008 16 1 . . . . 101 MET ME . 17202 1 1087 . 1 1 101 101 MET HE2 H 1 -0.022 0.008 16 1 . . . . 101 MET ME . 17202 1 1088 . 1 1 101 101 MET HE3 H 1 -0.022 0.008 16 1 . . . . 101 MET ME . 17202 1 1089 . 1 1 101 101 MET C C 13 178.043 0.050 1 1 . . . . 101 MET C . 17202 1 1090 . 1 1 101 101 MET CA C 13 57.602 0.050 1 1 . . . . 101 MET CA . 17202 1 1091 . 1 1 101 101 MET N N 15 116.686 0.304 19 1 . . . . 101 MET N . 17202 1 1092 . 1 1 102 102 THR H H 1 8.419 0.026 17 1 . . . . 102 THR H . 17202 1 1093 . 1 1 102 102 THR HA H 1 2.852 0.014 13 1 . . . . 102 THR HA . 17202 1 1094 . 1 1 102 102 THR HB H 1 3.923 0.004 7 1 . . . . 102 THR HB . 17202 1 1095 . 1 1 102 102 THR HG21 H 1 0.575 0.006 14 1 . . . . 102 THR MG . 17202 1 1096 . 1 1 102 102 THR HG22 H 1 0.575 0.006 14 1 . . . . 102 THR MG . 17202 1 1097 . 1 1 102 102 THR HG23 H 1 0.575 0.006 14 1 . . . . 102 THR MG . 17202 1 1098 . 1 1 102 102 THR C C 13 175.717 0.050 1 1 . . . . 102 THR C . 17202 1 1099 . 1 1 102 102 THR CA C 13 64.091 0.050 1 1 . . . . 102 THR CA . 17202 1 1100 . 1 1 102 102 THR CB C 13 67.990 0.050 1 1 . . . . 102 THR CB . 17202 1 1101 . 1 1 102 102 THR CG2 C 13 20.621 0.050 1 1 . . . . 102 THR CG2 . 17202 1 1102 . 1 1 102 102 THR N N 15 108.753 0.317 13 1 . . . . 102 THR N . 17202 1 1103 . 1 1 103 103 SER H H 1 7.395 0.025 18 1 . . . . 103 SER H . 17202 1 1104 . 1 1 103 103 SER HA H 1 4.533 0.010 4 1 . . . . 103 SER HA . 17202 1 1105 . 1 1 103 103 SER HB2 H 1 3.939 0.001 2 1 . . . . 103 SER HB2 . 17202 1 1106 . 1 1 103 103 SER HB3 H 1 3.939 0.001 2 1 . . . . 103 SER HB3 . 17202 1 1107 . 1 1 103 103 SER C C 13 174.150 0.050 1 1 . . . . 103 SER C . 17202 1 1108 . 1 1 103 103 SER CA C 13 58.722 0.027 2 1 . . . . 103 SER CA . 17202 1 1109 . 1 1 103 103 SER CB C 13 64.136 0.050 1 1 . . . . 103 SER CB . 17202 1 1110 . 1 1 103 103 SER N N 15 114.896 0.352 14 1 . . . . 103 SER N . 17202 1 1111 . 1 1 104 104 SER H H 1 7.527 0.061 20 1 . . . . 104 SER H . 17202 1 1112 . 1 1 104 104 SER HA H 1 4.421 0.006 9 1 . . . . 104 SER HA . 17202 1 1113 . 1 1 104 104 SER HB2 H 1 4.178 0.012 12 2 . . . . 104 SER HB2 . 17202 1 1114 . 1 1 104 104 SER HB3 H 1 4.086 0.001 4 2 . . . . 104 SER HB3 . 17202 1 1115 . 1 1 104 104 SER HG H 1 5.731 0.006 4 1 . . . . 104 SER HG . 17202 1 1116 . 1 1 104 104 SER C C 13 176.744 0.050 1 1 . . . . 104 SER C . 17202 1 1117 . 1 1 104 104 SER CA C 13 58.737 0.058 2 1 . . . . 104 SER CA . 17202 1 1118 . 1 1 104 104 SER CB C 13 64.290 0.050 1 1 . . . . 104 SER CB . 17202 1 1119 . 1 1 104 104 SER N N 15 118.105 0.311 18 1 . . . . 104 SER N . 17202 1 1120 . 1 1 105 105 GLU H H 1 9.162 0.022 22 1 . . . . 105 GLU H . 17202 1 1121 . 1 1 105 105 GLU HA H 1 4.411 0.007 5 1 . . . . 105 GLU HA . 17202 1 1122 . 1 1 105 105 GLU HB2 H 1 2.174 0.006 6 1 . . . . 105 GLU HB2 . 17202 1 1123 . 1 1 105 105 GLU HB3 H 1 2.174 0.006 6 1 . . . . 105 GLU HB3 . 17202 1 1124 . 1 1 105 105 GLU HG2 H 1 2.342 0.008 10 1 . . . . 105 GLU HG2 . 17202 1 1125 . 1 1 105 105 GLU HG3 H 1 2.342 0.008 10 1 . . . . 105 GLU HG3 . 17202 1 1126 . 1 1 105 105 GLU C C 13 177.355 0.050 1 1 . . . . 105 GLU C . 17202 1 1127 . 1 1 105 105 GLU CA C 13 58.534 0.004 2 1 . . . . 105 GLU CA . 17202 1 1128 . 1 1 105 105 GLU CB C 13 29.114 0.050 1 1 . . . . 105 GLU CB . 17202 1 1129 . 1 1 105 105 GLU CG C 13 35.905 0.050 1 1 . . . . 105 GLU CG . 17202 1 1130 . 1 1 105 105 GLU N N 15 125.953 0.245 16 1 . . . . 105 GLU N . 17202 1 1131 . 1 1 106 106 LYS H H 1 8.370 0.020 26 1 . . . . 106 LYS H . 17202 1 1132 . 1 1 106 106 LYS HA H 1 4.407 0.008 9 1 . . . . 106 LYS HA . 17202 1 1133 . 1 1 106 106 LYS HB2 H 1 2.079 0.026 3 2 . . . . 106 LYS HB2 . 17202 1 1134 . 1 1 106 106 LYS HB3 H 1 1.769 0.007 2 2 . . . . 106 LYS HB3 . 17202 1 1135 . 1 1 106 106 LYS HG2 H 1 1.299 0.011 11 1 . . . . 106 LYS HG2 . 17202 1 1136 . 1 1 106 106 LYS HG3 H 1 1.299 0.011 11 1 . . . . 106 LYS HG3 . 17202 1 1137 . 1 1 106 106 LYS HE2 H 1 2.585 0.005 6 2 . . . . 106 LYS HE2 . 17202 1 1138 . 1 1 106 106 LYS HE3 H 1 2.448 0.009 4 2 . . . . 106 LYS HE3 . 17202 1 1139 . 1 1 106 106 LYS C C 13 174.296 0.050 1 1 . . . . 106 LYS C . 17202 1 1140 . 1 1 106 106 LYS CA C 13 54.187 0.050 1 1 . . . . 106 LYS CA . 17202 1 1141 . 1 1 106 106 LYS CB C 13 31.433 0.050 1 1 . . . . 106 LYS CB . 17202 1 1142 . 1 1 106 106 LYS N N 15 116.718 0.229 20 1 . . . . 106 LYS N . 17202 1 1143 . 1 1 107 107 PHE H H 1 7.664 0.020 30 1 . . . . 107 PHE H . 17202 1 1144 . 1 1 107 107 PHE HA H 1 5.105 0.010 12 1 . . . . 107 PHE HA . 17202 1 1145 . 1 1 107 107 PHE HB2 H 1 3.051 0.022 15 1 . . . . 107 PHE HB2 . 17202 1 1146 . 1 1 107 107 PHE HB3 H 1 3.051 0.022 15 1 . . . . 107 PHE HB3 . 17202 1 1147 . 1 1 107 107 PHE HD1 H 1 7.025 0.016 13 1 . . . . 107 PHE HD1 . 17202 1 1148 . 1 1 107 107 PHE HD2 H 1 7.025 0.016 13 1 . . . . 107 PHE HD2 . 17202 1 1149 . 1 1 107 107 PHE HE1 H 1 6.795 0.016 5 1 . . . . 107 PHE HE1 . 17202 1 1150 . 1 1 107 107 PHE HE2 H 1 6.795 0.016 5 1 . . . . 107 PHE HE2 . 17202 1 1151 . 1 1 107 107 PHE C C 13 174.357 0.050 1 1 . . . . 107 PHE C . 17202 1 1152 . 1 1 107 107 PHE CA C 13 57.485 0.050 1 1 . . . . 107 PHE CA . 17202 1 1153 . 1 1 107 107 PHE CB C 13 41.605 0.050 1 1 . . . . 107 PHE CB . 17202 1 1154 . 1 1 107 107 PHE N N 15 121.441 0.303 22 1 . . . . 107 PHE N . 17202 1 1155 . 1 1 108 108 LYS H H 1 8.288 0.021 24 1 . . . . 108 LYS H . 17202 1 1156 . 1 1 108 108 LYS HA H 1 4.375 0.014 8 1 . . . . 108 LYS HA . 17202 1 1157 . 1 1 108 108 LYS HB2 H 1 1.368 0.011 15 2 . . . . 108 LYS HB2 . 17202 1 1158 . 1 1 108 108 LYS HB3 H 1 1.098 0.012 9 2 . . . . 108 LYS HB3 . 17202 1 1159 . 1 1 108 108 LYS HG2 H 1 0.796 0.003 3 2 . . . . 108 LYS HG2 . 17202 1 1160 . 1 1 108 108 LYS HG3 H 1 0.682 0.004 7 2 . . . . 108 LYS HG3 . 17202 1 1161 . 1 1 108 108 LYS HD2 H 1 1.801 0.004 6 1 . . . . 108 LYS HD2 . 17202 1 1162 . 1 1 108 108 LYS HD3 H 1 1.801 0.004 6 1 . . . . 108 LYS HD3 . 17202 1 1163 . 1 1 108 108 LYS HE2 H 1 2.550 0.007 11 2 . . . . 108 LYS HE2 . 17202 1 1164 . 1 1 108 108 LYS HE3 H 1 2.500 0.006 5 2 . . . . 108 LYS HE3 . 17202 1 1165 . 1 1 108 108 LYS C C 13 174.129 0.050 1 1 . . . . 108 LYS C . 17202 1 1166 . 1 1 108 108 LYS CA C 13 52.421 0.107 2 1 . . . . 108 LYS CA . 17202 1 1167 . 1 1 108 108 LYS CB C 13 34.203 0.059 2 1 . . . . 108 LYS CB . 17202 1 1168 . 1 1 108 108 LYS CG C 13 25.085 0.050 1 1 . . . . 108 LYS CG . 17202 1 1169 . 1 1 108 108 LYS N N 15 127.915 0.304 19 1 . . . . 108 LYS N . 17202 1 1170 . 1 1 109 109 SER H H 1 8.106 0.027 14 1 . . . . 109 SER H . 17202 1 1171 . 1 1 109 109 SER HA H 1 4.314 0.006 5 1 . . . . 109 SER HA . 17202 1 1172 . 1 1 109 109 SER HB2 H 1 3.984 0.006 7 1 . . . . 109 SER HB2 . 17202 1 1173 . 1 1 109 109 SER HB3 H 1 3.984 0.006 7 1 . . . . 109 SER HB3 . 17202 1 1174 . 1 1 109 109 SER C C 13 173.295 0.050 1 1 . . . . 109 SER C . 17202 1 1175 . 1 1 109 109 SER CA C 13 58.389 0.019 2 1 . . . . 109 SER CA . 17202 1 1176 . 1 1 109 109 SER CB C 13 64.069 0.050 1 1 . . . . 109 SER CB . 17202 1 1177 . 1 1 109 109 SER N N 15 118.071 0.268 12 1 . . . . 109 SER N . 17202 1 1178 . 1 1 110 110 GLY H H 1 8.009 0.022 23 1 . . . . 110 GLY H . 17202 1 1179 . 1 1 110 110 GLY HA2 H 1 4.584 0.008 4 2 . . . . 110 GLY HA2 . 17202 1 1180 . 1 1 110 110 GLY HA3 H 1 3.966 0.008 5 2 . . . . 110 GLY HA3 . 17202 1 1181 . 1 1 110 110 GLY C C 13 175.478 0.050 1 1 . . . . 110 GLY C . 17202 1 1182 . 1 1 110 110 GLY CA C 13 43.669 0.176 2 1 . . . . 110 GLY CA . 17202 1 1183 . 1 1 110 110 GLY N N 15 108.682 0.221 20 1 . . . . 110 GLY N . 17202 1 1184 . 1 1 111 111 THR H H 1 8.729 0.024 19 1 . . . . 111 THR H . 17202 1 1185 . 1 1 111 111 THR HA H 1 4.459 0.009 4 1 . . . . 111 THR HA . 17202 1 1186 . 1 1 111 111 THR HB H 1 4.551 0.010 4 1 . . . . 111 THR HB . 17202 1 1187 . 1 1 111 111 THR HG21 H 1 1.094 0.003 9 1 . . . . 111 THR MG . 17202 1 1188 . 1 1 111 111 THR HG22 H 1 1.094 0.003 9 1 . . . . 111 THR MG . 17202 1 1189 . 1 1 111 111 THR HG23 H 1 1.094 0.003 9 1 . . . . 111 THR MG . 17202 1 1190 . 1 1 111 111 THR C C 13 175.232 0.050 1 1 . . . . 111 THR C . 17202 1 1191 . 1 1 111 111 THR CA C 13 61.118 0.050 1 1 . . . . 111 THR CA . 17202 1 1192 . 1 1 111 111 THR CB C 13 70.936 0.050 1 1 . . . . 111 THR CB . 17202 1 1193 . 1 1 111 111 THR CG2 C 13 21.579 0.050 1 1 . . . . 111 THR CG2 . 17202 1 1194 . 1 1 111 111 THR N N 15 111.022 0.269 13 1 . . . . 111 THR N . 17202 1 1195 . 1 1 112 112 LYS H H 1 8.712 0.025 18 1 . . . . 112 LYS H . 17202 1 1196 . 1 1 112 112 LYS HA H 1 3.751 0.010 9 1 . . . . 112 LYS HA . 17202 1 1197 . 1 1 112 112 LYS HB2 H 1 1.912 0.004 6 2 . . . . 112 LYS HB2 . 17202 1 1198 . 1 1 112 112 LYS HB3 H 1 1.748 0.003 1 2 . . . . 112 LYS HB3 . 17202 1 1199 . 1 1 112 112 LYS HG2 H 1 1.108 0.006 2 1 . . . . 112 LYS HG2 . 17202 1 1200 . 1 1 112 112 LYS HG3 H 1 1.108 0.006 2 1 . . . . 112 LYS HG3 . 17202 1 1201 . 1 1 112 112 LYS HD2 H 1 1.354 0.005 7 1 . . . . 112 LYS HD2 . 17202 1 1202 . 1 1 112 112 LYS HD3 H 1 1.354 0.005 7 1 . . . . 112 LYS HD3 . 17202 1 1203 . 1 1 112 112 LYS HE2 H 1 2.523 0.001 2 1 . . . . 112 LYS HE2 . 17202 1 1204 . 1 1 112 112 LYS HE3 H 1 2.523 0.001 2 1 . . . . 112 LYS HE3 . 17202 1 1205 . 1 1 112 112 LYS C C 13 177.937 0.050 1 1 . . . . 112 LYS C . 17202 1 1206 . 1 1 112 112 LYS CA C 13 60.938 0.047 2 1 . . . . 112 LYS CA . 17202 1 1207 . 1 1 112 112 LYS CB C 13 32.698 0.024 2 1 . . . . 112 LYS CB . 17202 1 1208 . 1 1 112 112 LYS CG C 13 24.843 0.050 1 1 . . . . 112 LYS CG . 17202 1 1209 . 1 1 112 112 LYS CD C 13 29.100 0.050 1 1 . . . . 112 LYS CD . 17202 1 1210 . 1 1 112 112 LYS N N 15 122.805 0.257 16 1 . . . . 112 LYS N . 17202 1 1211 . 1 1 113 113 LYS H H 1 8.043 0.023 20 1 . . . . 113 LYS H . 17202 1 1212 . 1 1 113 113 LYS HA H 1 3.842 0.009 9 1 . . . . 113 LYS HA . 17202 1 1213 . 1 1 113 113 LYS HB2 H 1 1.699 0.015 6 1 . . . . 113 LYS HB2 . 17202 1 1214 . 1 1 113 113 LYS HB3 H 1 1.699 0.015 6 1 . . . . 113 LYS HB3 . 17202 1 1215 . 1 1 113 113 LYS HG2 H 1 1.388 0.012 3 1 . . . . 113 LYS HG2 . 17202 1 1216 . 1 1 113 113 LYS HG3 H 1 1.388 0.012 3 1 . . . . 113 LYS HG3 . 17202 1 1217 . 1 1 113 113 LYS HD2 H 1 0.898 0.003 2 1 . . . . 113 LYS HD2 . 17202 1 1218 . 1 1 113 113 LYS HD3 H 1 0.898 0.003 2 1 . . . . 113 LYS HD3 . 17202 1 1219 . 1 1 113 113 LYS HE2 H 1 2.901 0.009 3 2 . . . . 113 LYS HE2 . 17202 1 1220 . 1 1 113 113 LYS HE3 H 1 2.542 0.003 1 2 . . . . 113 LYS HE3 . 17202 1 1221 . 1 1 113 113 LYS C C 13 178.937 0.050 1 1 . . . . 113 LYS C . 17202 1 1222 . 1 1 113 113 LYS CA C 13 59.529 0.046 2 1 . . . . 113 LYS CA . 17202 1 1223 . 1 1 113 113 LYS CB C 13 32.158 0.050 1 1 . . . . 113 LYS CB . 17202 1 1224 . 1 1 113 113 LYS CG C 13 24.954 0.050 1 1 . . . . 113 LYS CG . 17202 1 1225 . 1 1 113 113 LYS CD C 13 29.287 0.050 1 1 . . . . 113 LYS CD . 17202 1 1226 . 1 1 113 113 LYS CE C 13 41.991 0.050 1 1 . . . . 113 LYS CE . 17202 1 1227 . 1 1 113 113 LYS N N 15 115.151 0.217 18 1 . . . . 113 LYS N . 17202 1 1228 . 1 1 114 114 ASP H H 1 7.342 0.028 18 1 . . . . 114 ASP H . 17202 1 1229 . 1 1 114 114 ASP HA H 1 4.331 0.012 7 1 . . . . 114 ASP HA . 17202 1 1230 . 1 1 114 114 ASP HB2 H 1 2.880 0.009 6 2 . . . . 114 ASP HB2 . 17202 1 1231 . 1 1 114 114 ASP HB3 H 1 2.608 0.003 5 2 . . . . 114 ASP HB3 . 17202 1 1232 . 1 1 114 114 ASP C C 13 178.617 0.050 1 1 . . . . 114 ASP C . 17202 1 1233 . 1 1 114 114 ASP CA C 13 57.193 0.026 2 1 . . . . 114 ASP CA . 17202 1 1234 . 1 1 114 114 ASP CB C 13 40.409 0.004 2 1 . . . . 114 ASP CB . 17202 1 1235 . 1 1 114 114 ASP N N 15 119.964 0.287 12 1 . . . . 114 ASP N . 17202 1 1236 . 1 1 115 115 VAL H H 1 8.055 0.027 27 1 . . . . 115 VAL H . 17202 1 1237 . 1 1 115 115 VAL HA H 1 3.471 0.012 9 1 . . . . 115 VAL HA . 17202 1 1238 . 1 1 115 115 VAL HB H 1 1.922 0.008 4 1 . . . . 115 VAL HB . 17202 1 1239 . 1 1 115 115 VAL HG11 H 1 0.816 0.005 9 2 . . . . 115 VAL MG1 . 17202 1 1240 . 1 1 115 115 VAL HG12 H 1 0.816 0.005 9 2 . . . . 115 VAL MG1 . 17202 1 1241 . 1 1 115 115 VAL HG13 H 1 0.816 0.005 9 2 . . . . 115 VAL MG1 . 17202 1 1242 . 1 1 115 115 VAL HG21 H 1 0.724 0.006 2 2 . . . . 115 VAL MG2 . 17202 1 1243 . 1 1 115 115 VAL HG22 H 1 0.724 0.006 2 2 . . . . 115 VAL MG2 . 17202 1 1244 . 1 1 115 115 VAL HG23 H 1 0.724 0.006 2 2 . . . . 115 VAL MG2 . 17202 1 1245 . 1 1 115 115 VAL C C 13 177.591 0.050 1 1 . . . . 115 VAL C . 17202 1 1246 . 1 1 115 115 VAL CA C 13 67.180 0.080 2 1 . . . . 115 VAL CA . 17202 1 1247 . 1 1 115 115 VAL CB C 13 31.429 0.050 1 1 . . . . 115 VAL CB . 17202 1 1248 . 1 1 115 115 VAL N N 15 123.209 0.306 19 1 . . . . 115 VAL N . 17202 1 1249 . 1 1 116 116 VAL H H 1 8.431 0.027 15 1 . . . . 116 VAL H . 17202 1 1250 . 1 1 116 116 VAL HA H 1 3.382 0.008 8 1 . . . . 116 VAL HA . 17202 1 1251 . 1 1 116 116 VAL HB H 1 1.946 0.008 6 1 . . . . 116 VAL HB . 17202 1 1252 . 1 1 116 116 VAL HG11 H 1 0.824 0.005 11 1 . . . . 116 VAL MG1 . 17202 1 1253 . 1 1 116 116 VAL HG12 H 1 0.824 0.005 11 1 . . . . 116 VAL MG1 . 17202 1 1254 . 1 1 116 116 VAL HG13 H 1 0.824 0.005 11 1 . . . . 116 VAL MG1 . 17202 1 1255 . 1 1 116 116 VAL HG21 H 1 0.824 0.005 11 1 . . . . 116 VAL MG2 . 17202 1 1256 . 1 1 116 116 VAL HG22 H 1 0.824 0.005 11 1 . . . . 116 VAL MG2 . 17202 1 1257 . 1 1 116 116 VAL HG23 H 1 0.824 0.005 11 1 . . . . 116 VAL MG2 . 17202 1 1258 . 1 1 116 116 VAL C C 13 177.447 0.050 1 1 . . . . 116 VAL C . 17202 1 1259 . 1 1 116 116 VAL CA C 13 67.415 0.111 2 1 . . . . 116 VAL CA . 17202 1 1260 . 1 1 116 116 VAL CB C 13 31.564 0.050 1 1 . . . . 116 VAL CB . 17202 1 1261 . 1 1 116 116 VAL CG1 C 13 21.465 0.050 1 1 . . . . 116 VAL CG1 . 17202 1 1262 . 1 1 116 116 VAL CG2 C 13 21.465 0.050 1 1 . . . . 116 VAL CG2 . 17202 1 1263 . 1 1 116 116 VAL N N 15 120.879 0.366 11 1 . . . . 116 VAL N . 17202 1 1264 . 1 1 117 117 LYS H H 1 7.281 0.028 24 1 . . . . 117 LYS H . 17202 1 1265 . 1 1 117 117 LYS HA H 1 3.968 0.011 10 1 . . . . 117 LYS HA . 17202 1 1266 . 1 1 117 117 LYS HB2 H 1 1.873 0.012 5 1 . . . . 117 LYS HB2 . 17202 1 1267 . 1 1 117 117 LYS HB3 H 1 1.873 0.012 5 1 . . . . 117 LYS HB3 . 17202 1 1268 . 1 1 117 117 LYS HG2 H 1 1.421 0.011 7 1 . . . . 117 LYS HG2 . 17202 1 1269 . 1 1 117 117 LYS HG3 H 1 1.421 0.011 7 1 . . . . 117 LYS HG3 . 17202 1 1270 . 1 1 117 117 LYS HD2 H 1 1.725 0.006 4 1 . . . . 117 LYS HD2 . 17202 1 1271 . 1 1 117 117 LYS HD3 H 1 1.725 0.006 4 1 . . . . 117 LYS HD3 . 17202 1 1272 . 1 1 117 117 LYS HE2 H 1 3.004 0.014 3 1 . . . . 117 LYS HE2 . 17202 1 1273 . 1 1 117 117 LYS HE3 H 1 3.004 0.014 3 1 . . . . 117 LYS HE3 . 17202 1 1274 . 1 1 117 117 LYS C C 13 177.879 0.050 1 1 . . . . 117 LYS C . 17202 1 1275 . 1 1 117 117 LYS CA C 13 59.418 0.050 1 1 . . . . 117 LYS CA . 17202 1 1276 . 1 1 117 117 LYS CB C 13 31.826 0.252 2 1 . . . . 117 LYS CB . 17202 1 1277 . 1 1 117 117 LYS CG C 13 25.095 0.050 1 1 . . . . 117 LYS CG . 17202 1 1278 . 1 1 117 117 LYS CD C 13 28.944 0.050 1 1 . . . . 117 LYS CD . 17202 1 1279 . 1 1 117 117 LYS CE C 13 42.079 0.050 1 1 . . . . 117 LYS CE . 17202 1 1280 . 1 1 117 117 LYS N N 15 118.046 0.303 18 1 . . . . 117 LYS N . 17202 1 1281 . 1 1 118 118 PHE H H 1 7.667 0.026 26 1 . . . . 118 PHE H . 17202 1 1282 . 1 1 118 118 PHE HA H 1 4.250 0.011 8 1 . . . . 118 PHE HA . 17202 1 1283 . 1 1 118 118 PHE HB2 H 1 3.143 0.015 13 1 . . . . 118 PHE HB2 . 17202 1 1284 . 1 1 118 118 PHE HB3 H 1 3.143 0.015 13 1 . . . . 118 PHE HB3 . 17202 1 1285 . 1 1 118 118 PHE HD1 H 1 6.955 0.013 9 1 . . . . 118 PHE HD1 . 17202 1 1286 . 1 1 118 118 PHE HD2 H 1 6.955 0.013 9 1 . . . . 118 PHE HD2 . 17202 1 1287 . 1 1 118 118 PHE HE1 H 1 7.026 0.009 2 1 . . . . 118 PHE HE1 . 17202 1 1288 . 1 1 118 118 PHE HE2 H 1 7.026 0.009 2 1 . . . . 118 PHE HE2 . 17202 1 1289 . 1 1 118 118 PHE C C 13 178.389 0.050 1 1 . . . . 118 PHE C . 17202 1 1290 . 1 1 118 118 PHE CA C 13 61.411 0.050 1 1 . . . . 118 PHE CA . 17202 1 1291 . 1 1 118 118 PHE CB C 13 38.870 0.096 2 1 . . . . 118 PHE CB . 17202 1 1292 . 1 1 118 118 PHE N N 15 118.450 0.283 20 1 . . . . 118 PHE N . 17202 1 1293 . 1 1 119 119 ILE H H 1 8.537 0.028 11 1 . . . . 119 ILE H . 17202 1 1294 . 1 1 119 119 ILE HA H 1 3.442 0.009 12 1 . . . . 119 ILE HA . 17202 1 1295 . 1 1 119 119 ILE HB H 1 1.924 0.004 2 1 . . . . 119 ILE HB . 17202 1 1296 . 1 1 119 119 ILE HG12 H 1 1.379 0.015 5 1 . . . . 119 ILE HG12 . 17202 1 1297 . 1 1 119 119 ILE HG13 H 1 1.379 0.015 5 1 . . . . 119 ILE HG13 . 17202 1 1298 . 1 1 119 119 ILE HG21 H 1 0.805 0.005 10 1 . . . . 119 ILE MG . 17202 1 1299 . 1 1 119 119 ILE HG22 H 1 0.805 0.005 10 1 . . . . 119 ILE MG . 17202 1 1300 . 1 1 119 119 ILE HG23 H 1 0.805 0.005 10 1 . . . . 119 ILE MG . 17202 1 1301 . 1 1 119 119 ILE HD11 H 1 0.807 0.005 3 1 . . . . 119 ILE MD . 17202 1 1302 . 1 1 119 119 ILE HD12 H 1 0.807 0.005 3 1 . . . . 119 ILE MD . 17202 1 1303 . 1 1 119 119 ILE HD13 H 1 0.807 0.005 3 1 . . . . 119 ILE MD . 17202 1 1304 . 1 1 119 119 ILE C C 13 177.526 0.050 1 1 . . . . 119 ILE C . 17202 1 1305 . 1 1 119 119 ILE CA C 13 66.087 0.050 1 1 . . . . 119 ILE CA . 17202 1 1306 . 1 1 119 119 ILE CB C 13 37.589 0.050 1 1 . . . . 119 ILE CB . 17202 1 1307 . 1 1 119 119 ILE CG2 C 13 17.373 0.050 1 1 . . . . 119 ILE CG2 . 17202 1 1308 . 1 1 119 119 ILE N N 15 120.683 0.391 10 1 . . . . 119 ILE N . 17202 1 1309 . 1 1 120 120 GLU H H 1 8.718 0.031 20 1 . . . . 120 GLU H . 17202 1 1310 . 1 1 120 120 GLU HA H 1 3.985 0.008 5 1 . . . . 120 GLU HA . 17202 1 1311 . 1 1 120 120 GLU HB2 H 1 1.957 0.006 7 1 . . . . 120 GLU HB2 . 17202 1 1312 . 1 1 120 120 GLU HB3 H 1 1.957 0.006 7 1 . . . . 120 GLU HB3 . 17202 1 1313 . 1 1 120 120 GLU HG2 H 1 2.375 0.012 9 1 . . . . 120 GLU HG2 . 17202 1 1314 . 1 1 120 120 GLU HG3 H 1 2.375 0.012 9 1 . . . . 120 GLU HG3 . 17202 1 1315 . 1 1 120 120 GLU C C 13 175.119 0.050 1 1 . . . . 120 GLU C . 17202 1 1316 . 1 1 120 120 GLU CA C 13 59.816 0.005 2 1 . . . . 120 GLU CA . 17202 1 1317 . 1 1 120 120 GLU CB C 13 29.362 0.050 1 1 . . . . 120 GLU CB . 17202 1 1318 . 1 1 120 120 GLU CG C 13 36.088 0.050 1 1 . . . . 120 GLU CG . 17202 1 1319 . 1 1 120 120 GLU N N 15 120.596 0.342 16 1 . . . . 120 GLU N . 17202 1 1320 . 1 1 121 121 ASP H H 1 8.513 0.007 15 1 . . . . 121 ASP H . 17202 1 1321 . 1 1 121 121 ASP HA H 1 4.318 0.015 17 1 . . . . 121 ASP HA . 17202 1 1322 . 1 1 121 121 ASP HB2 H 1 2.724 0.012 8 2 . . . . 121 ASP HB2 . 17202 1 1323 . 1 1 121 121 ASP HB3 H 1 2.517 0.009 7 2 . . . . 121 ASP HB3 . 17202 1 1324 . 1 1 121 121 ASP C C 13 178.347 0.050 1 1 . . . . 121 ASP C . 17202 1 1325 . 1 1 121 121 ASP CA C 13 57.305 0.050 1 1 . . . . 121 ASP CA . 17202 1 1326 . 1 1 121 121 ASP CB C 13 39.935 0.050 1 1 . . . . 121 ASP CB . 17202 1 1327 . 1 1 121 121 ASP N N 15 120.685 0.083 12 1 . . . . 121 ASP N . 17202 1 1328 . 1 1 122 122 TYR H H 1 8.210 0.022 24 1 . . . . 122 TYR H . 17202 1 1329 . 1 1 122 122 TYR HA H 1 3.869 0.004 7 1 . . . . 122 TYR HA . 17202 1 1330 . 1 1 122 122 TYR HB2 H 1 2.269 0.004 4 1 . . . . 122 TYR HB2 . 17202 1 1331 . 1 1 122 122 TYR HB3 H 1 2.269 0.004 4 1 . . . . 122 TYR HB3 . 17202 1 1332 . 1 1 122 122 TYR HD1 H 1 6.904 0.009 9 1 . . . . 122 TYR HD1 . 17202 1 1333 . 1 1 122 122 TYR HD2 H 1 6.904 0.009 9 1 . . . . 122 TYR HD2 . 17202 1 1334 . 1 1 122 122 TYR HE1 H 1 6.726 0.009 4 1 . . . . 122 TYR HE1 . 17202 1 1335 . 1 1 122 122 TYR HE2 H 1 6.726 0.009 4 1 . . . . 122 TYR HE2 . 17202 1 1336 . 1 1 122 122 TYR C C 13 178.744 0.050 1 1 . . . . 122 TYR C . 17202 1 1337 . 1 1 122 122 TYR CA C 13 61.916 0.050 1 1 . . . . 122 TYR CA . 17202 1 1338 . 1 1 122 122 TYR CB C 13 38.487 0.024 2 1 . . . . 122 TYR CB . 17202 1 1339 . 1 1 122 122 TYR N N 15 121.771 0.247 19 1 . . . . 122 TYR N . 17202 1 1340 . 1 1 123 123 SER H H 1 8.722 0.020 26 1 . . . . 123 SER H . 17202 1 1341 . 1 1 123 123 SER HA H 1 4.092 0.014 14 1 . . . . 123 SER HA . 17202 1 1342 . 1 1 123 123 SER HB2 H 1 3.851 0.008 12 1 . . . . 123 SER HB2 . 17202 1 1343 . 1 1 123 123 SER HB3 H 1 3.851 0.008 12 1 . . . . 123 SER HB3 . 17202 1 1344 . 1 1 123 123 SER C C 13 175.690 0.050 1 1 . . . . 123 SER C . 17202 1 1345 . 1 1 123 123 SER CA C 13 60.313 0.017 2 1 . . . . 123 SER CA . 17202 1 1346 . 1 1 123 123 SER CB C 13 63.811 0.050 1 1 . . . . 123 SER CB . 17202 1 1347 . 1 1 123 123 SER N N 15 114.491 0.252 21 1 . . . . 123 SER N . 17202 1 1348 . 1 1 124 124 ARG H H 1 7.559 0.003 13 1 . . . . 124 ARG H . 17202 1 1349 . 1 1 124 124 ARG HA H 1 3.916 0.007 10 1 . . . . 124 ARG HA . 17202 1 1350 . 1 1 124 124 ARG HB2 H 1 1.916 0.009 9 1 . . . . 124 ARG HB2 . 17202 1 1351 . 1 1 124 124 ARG HB3 H 1 1.916 0.009 9 1 . . . . 124 ARG HB3 . 17202 1 1352 . 1 1 124 124 ARG HG2 H 1 1.730 0.004 7 2 . . . . 124 ARG HG2 . 17202 1 1353 . 1 1 124 124 ARG HG3 H 1 1.588 0.004 8 2 . . . . 124 ARG HG3 . 17202 1 1354 . 1 1 124 124 ARG HD2 H 1 3.212 0.009 14 1 . . . . 124 ARG HD2 . 17202 1 1355 . 1 1 124 124 ARG HD3 H 1 3.212 0.009 14 1 . . . . 124 ARG HD3 . 17202 1 1356 . 1 1 124 124 ARG C C 13 178.297 0.050 1 1 . . . . 124 ARG C . 17202 1 1357 . 1 1 124 124 ARG CA C 13 59.030 0.050 1 1 . . . . 124 ARG CA . 17202 1 1358 . 1 1 124 124 ARG CB C 13 30.299 0.224 2 1 . . . . 124 ARG CB . 17202 1 1359 . 1 1 124 124 ARG CG C 13 27.673 0.050 1 1 . . . . 124 ARG CG . 17202 1 1360 . 1 1 124 124 ARG CD C 13 43.237 0.050 1 1 . . . . 124 ARG CD . 17202 1 1361 . 1 1 124 124 ARG N N 15 117.036 0.035 11 1 . . . . 124 ARG N . 17202 1 1362 . 1 1 125 125 VAL H H 1 6.898 0.023 21 1 . . . . 125 VAL H . 17202 1 1363 . 1 1 125 125 VAL HA H 1 4.013 0.006 9 1 . . . . 125 VAL HA . 17202 1 1364 . 1 1 125 125 VAL HB H 1 2.014 0.021 10 1 . . . . 125 VAL HB . 17202 1 1365 . 1 1 125 125 VAL HG11 H 1 0.846 0.009 18 1 . . . . 125 VAL MG1 . 17202 1 1366 . 1 1 125 125 VAL HG12 H 1 0.846 0.009 18 1 . . . . 125 VAL MG1 . 17202 1 1367 . 1 1 125 125 VAL HG13 H 1 0.846 0.009 18 1 . . . . 125 VAL MG1 . 17202 1 1368 . 1 1 125 125 VAL HG21 H 1 0.846 0.009 18 1 . . . . 125 VAL MG2 . 17202 1 1369 . 1 1 125 125 VAL HG22 H 1 0.846 0.009 18 1 . . . . 125 VAL MG2 . 17202 1 1370 . 1 1 125 125 VAL HG23 H 1 0.846 0.009 18 1 . . . . 125 VAL MG2 . 17202 1 1371 . 1 1 125 125 VAL C C 13 175.041 0.050 1 1 . . . . 125 VAL C . 17202 1 1372 . 1 1 125 125 VAL CA C 13 62.711 0.007 2 1 . . . . 125 VAL CA . 17202 1 1373 . 1 1 125 125 VAL CB C 13 31.724 0.066 2 1 . . . . 125 VAL CB . 17202 1 1374 . 1 1 125 125 VAL N N 15 112.059 0.238 17 1 . . . . 125 VAL N . 17202 1 1375 . 1 1 126 126 ASN H H 1 7.406 0.024 19 1 . . . . 126 ASN H . 17202 1 1376 . 1 1 126 126 ASN HA H 1 5.078 0.006 9 1 . . . . 126 ASN HA . 17202 1 1377 . 1 1 126 126 ASN HB2 H 1 3.571 0.011 9 2 . . . . 126 ASN HB2 . 17202 1 1378 . 1 1 126 126 ASN HB3 H 1 3.221 0.009 10 2 . . . . 126 ASN HB3 . 17202 1 1379 . 1 1 126 126 ASN HD21 H 1 6.763 0.031 11 2 . . . . 126 ASN HD21 . 17202 1 1380 . 1 1 126 126 ASN HD22 H 1 6.045 0.029 13 2 . . . . 126 ASN HD22 . 17202 1 1381 . 1 1 126 126 ASN CA C 13 51.371 0.050 1 1 . . . . 126 ASN CA . 17202 1 1382 . 1 1 126 126 ASN N N 15 118.927 0.241 15 1 . . . . 126 ASN N . 17202 1 1383 . 1 1 126 126 ASN ND2 N 15 117.681 0.375 15 1 . . . . 126 ASN ND2 . 17202 1 1384 . 1 1 127 127 PRO HA H 1 4.718 0.014 9 1 . . . . 127 PRO HA . 17202 1 1385 . 1 1 127 127 PRO HB2 H 1 2.197 0.011 5 1 . . . . 127 PRO HB2 . 17202 1 1386 . 1 1 127 127 PRO HB3 H 1 2.197 0.011 5 1 . . . . 127 PRO HB3 . 17202 1 1387 . 1 1 127 127 PRO HG2 H 1 1.935 0.006 4 1 . . . . 127 PRO HG2 . 17202 1 1388 . 1 1 127 127 PRO HG3 H 1 1.935 0.006 4 1 . . . . 127 PRO HG3 . 17202 1 1389 . 1 1 127 127 PRO C C 13 177.458 0.050 1 1 . . . . 127 PRO C . 17202 1 1390 . 1 1 127 127 PRO CA C 13 65.289 0.050 1 1 . . . . 127 PRO CA . 17202 1 1391 . 1 1 127 127 PRO CB C 13 32.809 0.050 1 1 . . . . 127 PRO CB . 17202 1 1392 . 1 1 127 127 PRO CG C 13 27.205 0.050 1 1 . . . . 127 PRO CG . 17202 1 1393 . 1 1 127 127 PRO CD C 13 49.770 0.050 1 1 . . . . 127 PRO CD . 17202 1 1394 . 1 1 128 128 ASN H H 1 8.493 0.023 20 1 . . . . 128 ASN H . 17202 1 1395 . 1 1 128 128 ASN HA H 1 5.028 0.005 18 1 . . . . 128 ASN HA . 17202 1 1396 . 1 1 128 128 ASN HB2 H 1 2.978 0.006 10 2 . . . . 128 ASN HB2 . 17202 1 1397 . 1 1 128 128 ASN HB3 H 1 2.744 0.005 11 2 . . . . 128 ASN HB3 . 17202 1 1398 . 1 1 128 128 ASN HD21 H 1 7.537 0.003 5 2 . . . . 128 ASN HD21 . 17202 1 1399 . 1 1 128 128 ASN HD22 H 1 6.954 0.039 7 2 . . . . 128 ASN HD22 . 17202 1 1400 . 1 1 128 128 ASN C C 13 174.691 0.050 1 1 . . . . 128 ASN C . 17202 1 1401 . 1 1 128 128 ASN CA C 13 52.661 0.048 4 1 . . . . 128 ASN CA . 17202 1 1402 . 1 1 128 128 ASN CB C 13 38.960 0.022 2 1 . . . . 128 ASN CB . 17202 1 1403 . 1 1 128 128 ASN N N 15 115.786 0.266 16 1 . . . . 128 ASN N . 17202 1 1404 . 1 1 128 128 ASN ND2 N 15 113.415 0.377 7 1 . . . . 128 ASN ND2 . 17202 1 1405 . 1 1 129 129 LYS H H 1 7.383 0.024 20 1 . . . . 129 LYS H . 17202 1 1406 . 1 1 129 129 LYS HA H 1 4.689 0.004 11 1 . . . . 129 LYS HA . 17202 1 1407 . 1 1 129 129 LYS HB2 H 1 1.957 0.007 8 2 . . . . 129 LYS HB2 . 17202 1 1408 . 1 1 129 129 LYS HB3 H 1 1.733 0.010 8 2 . . . . 129 LYS HB3 . 17202 1 1409 . 1 1 129 129 LYS HG2 H 1 1.433 0.009 14 1 . . . . 129 LYS HG2 . 17202 1 1410 . 1 1 129 129 LYS HG3 H 1 1.433 0.009 14 1 . . . . 129 LYS HG3 . 17202 1 1411 . 1 1 129 129 LYS HD2 H 1 1.639 0.003 1 1 . . . . 129 LYS HD2 . 17202 1 1412 . 1 1 129 129 LYS HD3 H 1 1.639 0.003 1 1 . . . . 129 LYS HD3 . 17202 1 1413 . 1 1 129 129 LYS HE2 H 1 2.956 0.003 1 1 . . . . 129 LYS HE2 . 17202 1 1414 . 1 1 129 129 LYS HE3 H 1 2.956 0.003 1 1 . . . . 129 LYS HE3 . 17202 1 1415 . 1 1 129 129 LYS C C 13 174.895 0.050 1 1 . . . . 129 LYS C . 17202 1 1416 . 1 1 129 129 LYS CA C 13 55.130 0.050 1 1 . . . . 129 LYS CA . 17202 1 1417 . 1 1 129 129 LYS CB C 13 35.070 0.030 2 1 . . . . 129 LYS CB . 17202 1 1418 . 1 1 129 129 LYS CG C 13 24.937 0.050 1 1 . . . . 129 LYS CG . 17202 1 1419 . 1 1 129 129 LYS CE C 13 42.178 0.050 1 1 . . . . 129 LYS CE . 17202 1 1420 . 1 1 129 129 LYS N N 15 119.802 0.241 16 1 . . . . 129 LYS N . 17202 1 1421 . 1 1 130 130 SER H H 1 8.285 0.003 15 1 . . . . 130 SER H . 17202 1 1422 . 1 1 130 130 SER HA H 1 4.754 0.010 14 1 . . . . 130 SER HA . 17202 1 1423 . 1 1 130 130 SER HB2 H 1 4.002 0.013 9 2 . . . . 130 SER HB2 . 17202 1 1424 . 1 1 130 130 SER HB3 H 1 3.900 0.007 5 2 . . . . 130 SER HB3 . 17202 1 1425 . 1 1 130 130 SER C C 13 174.204 0.050 1 1 . . . . 130 SER C . 17202 1 1426 . 1 1 130 130 SER CA C 13 57.384 0.050 1 1 . . . . 130 SER CA . 17202 1 1427 . 1 1 130 130 SER CB C 13 64.376 0.050 1 1 . . . . 130 SER CB . 17202 1 1428 . 1 1 130 130 SER N N 15 117.150 0.077 14 1 . . . . 130 SER N . 17202 1 1429 . 1 1 131 131 VAL H H 1 8.342 0.025 16 1 . . . . 131 VAL H . 17202 1 1430 . 1 1 131 131 VAL HA H 1 4.424 0.007 11 1 . . . . 131 VAL HA . 17202 1 1431 . 1 1 131 131 VAL HB H 1 1.946 0.012 15 1 . . . . 131 VAL HB . 17202 1 1432 . 1 1 131 131 VAL HG11 H 1 0.929 0.010 26 2 . . . . 131 VAL MG1 . 17202 1 1433 . 1 1 131 131 VAL HG12 H 1 0.929 0.010 26 2 . . . . 131 VAL MG1 . 17202 1 1434 . 1 1 131 131 VAL HG13 H 1 0.929 0.010 26 2 . . . . 131 VAL MG1 . 17202 1 1435 . 1 1 131 131 VAL HG21 H 1 0.618 0.008 25 2 . . . . 131 VAL MG2 . 17202 1 1436 . 1 1 131 131 VAL HG22 H 1 0.618 0.008 25 2 . . . . 131 VAL MG2 . 17202 1 1437 . 1 1 131 131 VAL HG23 H 1 0.618 0.008 25 2 . . . . 131 VAL MG2 . 17202 1 1438 . 1 1 131 131 VAL C C 13 172.259 0.050 1 1 . . . . 131 VAL C . 17202 1 1439 . 1 1 131 131 VAL CA C 13 60.139 0.050 1 1 . . . . 131 VAL CA . 17202 1 1440 . 1 1 131 131 VAL CB C 13 34.364 0.077 2 1 . . . . 131 VAL CB . 17202 1 1441 . 1 1 131 131 VAL CG1 C 13 20.968 0.050 1 1 . . . . 131 VAL CG1 . 17202 1 1442 . 1 1 131 131 VAL CG2 C 13 20.968 0.050 1 1 . . . . 131 VAL CG2 . 17202 1 1443 . 1 1 131 131 VAL N N 15 119.990 0.258 15 1 . . . . 131 VAL N . 17202 1 1444 . 1 1 132 132 TYR H H 1 7.222 0.003 16 1 . . . . 132 TYR H . 17202 1 1445 . 1 1 132 132 TYR HA H 1 5.610 0.033 7 1 . . . . 132 TYR HA . 17202 1 1446 . 1 1 132 132 TYR HB2 H 1 2.472 0.004 2 2 . . . . 132 TYR HB2 . 17202 1 1447 . 1 1 132 132 TYR HB3 H 1 2.299 0.006 3 2 . . . . 132 TYR HB3 . 17202 1 1448 . 1 1 132 132 TYR HD1 H 1 6.660 0.008 2 1 . . . . 132 TYR HD1 . 17202 1 1449 . 1 1 132 132 TYR HD2 H 1 6.660 0.008 2 1 . . . . 132 TYR HD2 . 17202 1 1450 . 1 1 132 132 TYR HE1 H 1 6.894 0.015 2 1 . . . . 132 TYR HE1 . 17202 1 1451 . 1 1 132 132 TYR HE2 H 1 6.894 0.015 2 1 . . . . 132 TYR HE2 . 17202 1 1452 . 1 1 132 132 TYR C C 13 171.497 0.050 1 1 . . . . 132 TYR C . 17202 1 1453 . 1 1 132 132 TYR CA C 13 55.673 0.050 1 1 . . . . 132 TYR CA . 17202 1 1454 . 1 1 132 132 TYR CB C 13 42.338 0.050 1 1 . . . . 132 TYR CB . 17202 1 1455 . 1 1 132 132 TYR N N 15 120.341 0.036 12 1 . . . . 132 TYR N . 17202 1 1456 . 1 1 133 133 TYR H H 1 8.376 0.020 27 1 . . . . 133 TYR H . 17202 1 1457 . 1 1 133 133 TYR HA H 1 4.745 0.007 6 1 . . . . 133 TYR HA . 17202 1 1458 . 1 1 133 133 TYR HB2 H 1 2.723 0.012 2 1 . . . . 133 TYR HB2 . 17202 1 1459 . 1 1 133 133 TYR HB3 H 1 2.723 0.012 2 1 . . . . 133 TYR HB3 . 17202 1 1460 . 1 1 133 133 TYR HD1 H 1 6.763 0.011 4 1 . . . . 133 TYR HD1 . 17202 1 1461 . 1 1 133 133 TYR HD2 H 1 6.763 0.011 4 1 . . . . 133 TYR HD2 . 17202 1 1462 . 1 1 133 133 TYR HE1 H 1 6.606 0.014 7 1 . . . . 133 TYR HE1 . 17202 1 1463 . 1 1 133 133 TYR HE2 H 1 6.606 0.014 7 1 . . . . 133 TYR HE2 . 17202 1 1464 . 1 1 133 133 TYR C C 13 174.165 0.050 1 1 . . . . 133 TYR C . 17202 1 1465 . 1 1 133 133 TYR CA C 13 57.150 0.050 1 1 . . . . 133 TYR CA . 17202 1 1466 . 1 1 133 133 TYR CB C 13 44.984 0.050 1 1 . . . . 133 TYR CB . 17202 1 1467 . 1 1 133 133 TYR N N 15 115.014 0.290 24 1 . . . . 133 TYR N . 17202 1 1468 . 1 1 134 134 PHE H H 1 8.994 0.028 29 1 . . . . 134 PHE H . 17202 1 1469 . 1 1 134 134 PHE HA H 1 5.099 0.014 6 1 . . . . 134 PHE HA . 17202 1 1470 . 1 1 134 134 PHE HB2 H 1 3.026 0.016 6 2 . . . . 134 PHE HB2 . 17202 1 1471 . 1 1 134 134 PHE HB3 H 1 2.893 0.007 2 2 . . . . 134 PHE HB3 . 17202 1 1472 . 1 1 134 134 PHE HD1 H 1 7.012 0.010 9 1 . . . . 134 PHE HD1 . 17202 1 1473 . 1 1 134 134 PHE HD2 H 1 7.012 0.010 9 1 . . . . 134 PHE HD2 . 17202 1 1474 . 1 1 134 134 PHE HE1 H 1 6.126 0.020 9 1 . . . . 134 PHE HE1 . 17202 1 1475 . 1 1 134 134 PHE HE2 H 1 6.126 0.020 9 1 . . . . 134 PHE HE2 . 17202 1 1476 . 1 1 134 134 PHE C C 13 174.737 0.050 1 1 . . . . 134 PHE C . 17202 1 1477 . 1 1 134 134 PHE CA C 13 55.530 0.050 1 1 . . . . 134 PHE CA . 17202 1 1478 . 1 1 134 134 PHE CB C 13 44.001 0.050 1 1 . . . . 134 PHE CB . 17202 1 1479 . 1 1 134 134 PHE N N 15 118.133 0.336 15 1 . . . . 134 PHE N . 17202 1 1480 . 1 1 135 135 SER H H 1 9.186 0.019 31 1 . . . . 135 SER H . 17202 1 1481 . 1 1 135 135 SER HA H 1 4.673 0.014 12 1 . . . . 135 SER HA . 17202 1 1482 . 1 1 135 135 SER HB2 H 1 3.733 0.013 4 1 . . . . 135 SER HB2 . 17202 1 1483 . 1 1 135 135 SER HB3 H 1 3.733 0.013 4 1 . . . . 135 SER HB3 . 17202 1 1484 . 1 1 135 135 SER C C 13 175.436 0.050 1 1 . . . . 135 SER C . 17202 1 1485 . 1 1 135 135 SER CA C 13 58.516 0.033 2 1 . . . . 135 SER CA . 17202 1 1486 . 1 1 135 135 SER CB C 13 66.300 0.050 1 1 . . . . 135 SER CB . 17202 1 1487 . 1 1 135 135 SER N N 15 112.495 0.318 21 1 . . . . 135 SER N . 17202 1 1488 . 1 1 136 136 LEU H H 1 9.799 0.032 21 1 . . . . 136 LEU H . 17202 1 1489 . 1 1 136 136 LEU HA H 1 4.344 0.008 6 1 . . . . 136 LEU HA . 17202 1 1490 . 1 1 136 136 LEU HB2 H 1 1.818 0.010 5 1 . . . . 136 LEU HB2 . 17202 1 1491 . 1 1 136 136 LEU HB3 H 1 1.818 0.010 5 1 . . . . 136 LEU HB3 . 17202 1 1492 . 1 1 136 136 LEU HG H 1 1.018 0.003 1 1 . . . . 136 LEU HG . 17202 1 1493 . 1 1 136 136 LEU HD11 H 1 0.898 0.006 12 2 . . . . 136 LEU MD1 . 17202 1 1494 . 1 1 136 136 LEU HD12 H 1 0.898 0.006 12 2 . . . . 136 LEU MD1 . 17202 1 1495 . 1 1 136 136 LEU HD13 H 1 0.898 0.006 12 2 . . . . 136 LEU MD1 . 17202 1 1496 . 1 1 136 136 LEU HD21 H 1 0.651 0.007 14 2 . . . . 136 LEU MD2 . 17202 1 1497 . 1 1 136 136 LEU HD22 H 1 0.651 0.007 14 2 . . . . 136 LEU MD2 . 17202 1 1498 . 1 1 136 136 LEU HD23 H 1 0.651 0.007 14 2 . . . . 136 LEU MD2 . 17202 1 1499 . 1 1 136 136 LEU C C 13 175.540 0.050 1 1 . . . . 136 LEU C . 17202 1 1500 . 1 1 136 136 LEU CA C 13 56.495 0.050 1 1 . . . . 136 LEU CA . 17202 1 1501 . 1 1 136 136 LEU CB C 13 43.128 0.050 1 1 . . . . 136 LEU CB . 17202 1 1502 . 1 1 136 136 LEU N N 15 123.368 0.270 15 1 . . . . 136 LEU N . 17202 1 1503 . 1 1 137 137 ASN H H 1 7.556 0.021 25 1 . . . . 137 ASN H . 17202 1 1504 . 1 1 137 137 ASN HB2 H 1 2.831 0.003 1 1 . . . . 137 ASN HB2 . 17202 1 1505 . 1 1 137 137 ASN HB3 H 1 2.831 0.003 1 1 . . . . 137 ASN HB3 . 17202 1 1506 . 1 1 137 137 ASN CA C 13 57.043 0.050 1 1 . . . . 137 ASN CA . 17202 1 1507 . 1 1 137 137 ASN CB C 13 43.379 0.050 1 1 . . . . 137 ASN CB . 17202 1 1508 . 1 1 137 137 ASN N N 15 118.996 0.297 18 1 . . . . 137 ASN N . 17202 1 1509 . 1 1 138 138 HIS HA H 1 4.188 0.002 3 1 . . . . 138 HIS HA . 17202 1 1510 . 1 1 138 138 HIS C C 13 174.341 0.050 1 1 . . . . 138 HIS C . 17202 1 1511 . 1 1 139 139 ASP H H 1 8.437 0.030 13 1 . . . . 139 ASP H . 17202 1 1512 . 1 1 139 139 ASP HA H 1 4.662 0.007 5 1 . . . . 139 ASP HA . 17202 1 1513 . 1 1 139 139 ASP HB2 H 1 2.749 0.005 5 1 . . . . 139 ASP HB2 . 17202 1 1514 . 1 1 139 139 ASP HB3 H 1 2.749 0.005 5 1 . . . . 139 ASP HB3 . 17202 1 1515 . 1 1 139 139 ASP C C 13 175.779 0.050 1 1 . . . . 139 ASP C . 17202 1 1516 . 1 1 139 139 ASP CA C 13 55.591 0.059 3 1 . . . . 139 ASP CA . 17202 1 1517 . 1 1 139 139 ASP CB C 13 41.710 0.086 2 1 . . . . 139 ASP CB . 17202 1 1518 . 1 1 139 139 ASP N N 15 117.913 0.273 11 1 . . . . 139 ASP N . 17202 1 1519 . 1 1 140 140 ASN H H 1 6.888 0.021 24 1 . . . . 140 ASN H . 17202 1 1520 . 1 1 140 140 ASN HA H 1 4.994 0.011 8 1 . . . . 140 ASN HA . 17202 1 1521 . 1 1 140 140 ASN HB2 H 1 2.485 0.010 3 2 . . . . 140 ASN HB2 . 17202 1 1522 . 1 1 140 140 ASN HB3 H 1 2.054 0.007 5 2 . . . . 140 ASN HB3 . 17202 1 1523 . 1 1 140 140 ASN HD21 H 1 6.396 0.049 3 2 . . . . 140 ASN HD21 . 17202 1 1524 . 1 1 140 140 ASN HD22 H 1 5.860 0.044 5 2 . . . . 140 ASN HD22 . 17202 1 1525 . 1 1 140 140 ASN CA C 13 49.070 0.040 2 1 . . . . 140 ASN CA . 17202 1 1526 . 1 1 140 140 ASN CB C 13 38.432 0.050 1 1 . . . . 140 ASN CB . 17202 1 1527 . 1 1 140 140 ASN N N 15 118.029 0.281 23 1 . . . . 140 ASN N . 17202 1 1528 . 1 1 140 140 ASN ND2 N 15 108.970 0.532 3 1 . . . . 140 ASN ND2 . 17202 1 1529 . 1 1 141 141 PRO HA H 1 3.998 0.007 5 1 . . . . 141 PRO HA . 17202 1 1530 . 1 1 141 141 PRO HB2 H 1 1.837 0.005 3 1 . . . . 141 PRO HB2 . 17202 1 1531 . 1 1 141 141 PRO HB3 H 1 1.837 0.005 3 1 . . . . 141 PRO HB3 . 17202 1 1532 . 1 1 141 141 PRO HD2 H 1 3.769 0.005 2 2 . . . . 141 PRO HD2 . 17202 1 1533 . 1 1 141 141 PRO HD3 H 1 3.548 0.007 4 2 . . . . 141 PRO HD3 . 17202 1 1534 . 1 1 141 141 PRO C C 13 177.718 0.050 1 1 . . . . 141 PRO C . 17202 1 1535 . 1 1 141 141 PRO CA C 13 63.780 0.050 1 1 . . . . 141 PRO CA . 17202 1 1536 . 1 1 142 142 GLY H H 1 8.859 0.026 15 1 . . . . 142 GLY H . 17202 1 1537 . 1 1 142 142 GLY HA2 H 1 4.647 0.003 2 1 . . . . 142 GLY HA2 . 17202 1 1538 . 1 1 142 142 GLY HA3 H 1 4.647 0.003 2 1 . . . . 142 GLY HA3 . 17202 1 1539 . 1 1 142 142 GLY C C 13 171.573 0.050 1 1 . . . . 142 GLY C . 17202 1 1540 . 1 1 142 142 GLY CA C 13 44.514 0.050 1 1 . . . . 142 GLY CA . 17202 1 1541 . 1 1 142 142 GLY N N 15 111.199 0.391 13 1 . . . . 142 GLY N . 17202 1 1542 . 1 1 143 143 TRP H H 1 7.952 0.029 12 1 . . . . 143 TRP H . 17202 1 1543 . 1 1 143 143 TRP HA H 1 5.196 0.017 6 1 . . . . 143 TRP HA . 17202 1 1544 . 1 1 143 143 TRP HB2 H 1 2.966 0.003 1 2 . . . . 143 TRP HB2 . 17202 1 1545 . 1 1 143 143 TRP HB3 H 1 2.877 0.003 1 2 . . . . 143 TRP HB3 . 17202 1 1546 . 1 1 143 143 TRP HD1 H 1 6.775 0.003 1 1 . . . . 143 TRP HD1 . 17202 1 1547 . 1 1 143 143 TRP HE1 H 1 10.180 0.131 3 1 . . . . 143 TRP HE1 . 17202 1 1548 . 1 1 143 143 TRP C C 13 176.026 0.050 1 1 . . . . 143 TRP C . 17202 1 1549 . 1 1 143 143 TRP CA C 13 56.145 0.050 1 1 . . . . 143 TRP CA . 17202 1 1550 . 1 1 143 143 TRP CB C 13 30.831 0.050 1 1 . . . . 143 TRP CB . 17202 1 1551 . 1 1 143 143 TRP N N 15 119.821 0.425 10 1 . . . . 143 TRP N . 17202 1 1552 . 1 1 144 144 PHE H H 1 10.389 0.046 7 1 . . . . 144 PHE H . 17202 1 1553 . 1 1 144 144 PHE HA H 1 5.550 0.029 7 1 . . . . 144 PHE HA . 17202 1 1554 . 1 1 144 144 PHE HD1 H 1 7.190 0.013 8 1 . . . . 144 PHE HD1 . 17202 1 1555 . 1 1 144 144 PHE HD2 H 1 7.190 0.013 8 1 . . . . 144 PHE HD2 . 17202 1 1556 . 1 1 144 144 PHE HE1 H 1 7.088 0.024 7 1 . . . . 144 PHE HE1 . 17202 1 1557 . 1 1 144 144 PHE HE2 H 1 7.088 0.024 7 1 . . . . 144 PHE HE2 . 17202 1 1558 . 1 1 144 144 PHE C C 13 178.030 0.050 1 1 . . . . 144 PHE C . 17202 1 1559 . 1 1 144 144 PHE CA C 13 56.041 0.050 1 1 . . . . 144 PHE CA . 17202 1 1560 . 1 1 144 144 PHE CB C 13 41.807 0.050 1 1 . . . . 144 PHE CB . 17202 1 1561 . 1 1 144 144 PHE N N 15 118.792 0.380 6 1 . . . . 144 PHE N . 17202 1 1562 . 1 1 145 145 TYR H H 1 9.689 0.022 24 1 . . . . 145 TYR H . 17202 1 1563 . 1 1 145 145 TYR HA H 1 3.759 0.001 3 1 . . . . 145 TYR HA . 17202 1 1564 . 1 1 145 145 TYR HB2 H 1 3.197 0.016 5 2 . . . . 145 TYR HB2 . 17202 1 1565 . 1 1 145 145 TYR HB3 H 1 2.908 0.003 1 2 . . . . 145 TYR HB3 . 17202 1 1566 . 1 1 145 145 TYR HD1 H 1 7.152 0.024 8 1 . . . . 145 TYR HD1 . 17202 1 1567 . 1 1 145 145 TYR HD2 H 1 7.152 0.024 8 1 . . . . 145 TYR HD2 . 17202 1 1568 . 1 1 145 145 TYR HE1 H 1 7.000 0.022 16 1 . . . . 145 TYR HE1 . 17202 1 1569 . 1 1 145 145 TYR HE2 H 1 7.000 0.022 16 1 . . . . 145 TYR HE2 . 17202 1 1570 . 1 1 145 145 TYR C C 13 174.689 0.050 1 1 . . . . 145 TYR C . 17202 1 1571 . 1 1 145 145 TYR CA C 13 57.823 0.050 1 1 . . . . 145 TYR CA . 17202 1 1572 . 1 1 145 145 TYR N N 15 124.080 0.287 22 1 . . . . 145 TYR N . 17202 1 1573 . 1 1 146 146 LEU H H 1 9.060 0.006 11 1 . . . . 146 LEU H . 17202 1 1574 . 1 1 146 146 LEU HA H 1 4.880 0.019 7 1 . . . . 146 LEU HA . 17202 1 1575 . 1 1 146 146 LEU HB2 H 1 1.337 0.003 2 1 . . . . 146 LEU HB2 . 17202 1 1576 . 1 1 146 146 LEU HB3 H 1 1.337 0.003 2 1 . . . . 146 LEU HB3 . 17202 1 1577 . 1 1 146 146 LEU HG H 1 1.087 0.006 4 1 . . . . 146 LEU HG . 17202 1 1578 . 1 1 146 146 LEU HD11 H 1 0.077 0.013 22 2 . . . . 146 LEU MD1 . 17202 1 1579 . 1 1 146 146 LEU HD12 H 1 0.077 0.013 22 2 . . . . 146 LEU MD1 . 17202 1 1580 . 1 1 146 146 LEU HD13 H 1 0.077 0.013 22 2 . . . . 146 LEU MD1 . 17202 1 1581 . 1 1 146 146 LEU HD21 H 1 -0.200 0.012 23 2 . . . . 146 LEU MD2 . 17202 1 1582 . 1 1 146 146 LEU HD22 H 1 -0.200 0.012 23 2 . . . . 146 LEU MD2 . 17202 1 1583 . 1 1 146 146 LEU HD23 H 1 -0.200 0.012 23 2 . . . . 146 LEU MD2 . 17202 1 1584 . 1 1 146 146 LEU C C 13 174.668 0.050 1 1 . . . . 146 LEU C . 17202 1 1585 . 1 1 146 146 LEU CA C 13 54.365 0.050 1 1 . . . . 146 LEU CA . 17202 1 1586 . 1 1 146 146 LEU CB C 13 43.828 0.050 1 1 . . . . 146 LEU CB . 17202 1 1587 . 1 1 146 146 LEU CG C 13 26.893 0.050 1 1 . . . . 146 LEU CG . 17202 1 1588 . 1 1 146 146 LEU N N 15 125.145 0.066 10 1 . . . . 146 LEU N . 17202 1 1589 . 1 1 147 147 MET H H 1 8.673 0.024 21 1 . . . . 147 MET H . 17202 1 1590 . 1 1 147 147 MET HA H 1 5.677 0.017 6 1 . . . . 147 MET HA . 17202 1 1591 . 1 1 147 147 MET HB2 H 1 1.825 0.011 5 1 . . . . 147 MET HB2 . 17202 1 1592 . 1 1 147 147 MET HB3 H 1 1.825 0.011 5 1 . . . . 147 MET HB3 . 17202 1 1593 . 1 1 147 147 MET HG2 H 1 2.734 0.004 11 1 . . . . 147 MET HG2 . 17202 1 1594 . 1 1 147 147 MET HG3 H 1 2.734 0.004 11 1 . . . . 147 MET HG3 . 17202 1 1595 . 1 1 147 147 MET HE1 H 1 -0.182 0.047 15 1 . . . . 147 MET ME . 17202 1 1596 . 1 1 147 147 MET HE2 H 1 -0.182 0.047 15 1 . . . . 147 MET ME . 17202 1 1597 . 1 1 147 147 MET HE3 H 1 -0.182 0.047 15 1 . . . . 147 MET ME . 17202 1 1598 . 1 1 147 147 MET C C 13 174.747 0.050 1 1 . . . . 147 MET C . 17202 1 1599 . 1 1 147 147 MET CA C 13 54.029 0.050 1 1 . . . . 147 MET CA . 17202 1 1600 . 1 1 147 147 MET CB C 13 36.637 0.050 1 1 . . . . 147 MET CB . 17202 1 1601 . 1 1 147 147 MET N N 15 125.113 0.295 19 1 . . . . 147 MET N . 17202 1 1602 . 1 1 148 148 PHE H H 1 8.751 0.028 27 1 . . . . 148 PHE H . 17202 1 1603 . 1 1 148 148 PHE HA H 1 5.739 0.067 10 1 . . . . 148 PHE HA . 17202 1 1604 . 1 1 148 148 PHE HB2 H 1 2.936 0.006 2 1 . . . . 148 PHE HB2 . 17202 1 1605 . 1 1 148 148 PHE HB3 H 1 2.936 0.006 2 1 . . . . 148 PHE HB3 . 17202 1 1606 . 1 1 148 148 PHE HD1 H 1 6.472 0.024 29 1 . . . . 148 PHE HD1 . 17202 1 1607 . 1 1 148 148 PHE HD2 H 1 6.472 0.024 29 1 . . . . 148 PHE HD2 . 17202 1 1608 . 1 1 148 148 PHE HE1 H 1 5.939 0.014 25 1 . . . . 148 PHE HE1 . 17202 1 1609 . 1 1 148 148 PHE HE2 H 1 5.939 0.014 25 1 . . . . 148 PHE HE2 . 17202 1 1610 . 1 1 148 148 PHE C C 13 173.034 0.050 1 1 . . . . 148 PHE C . 17202 1 1611 . 1 1 148 148 PHE CA C 13 55.657 0.050 1 1 . . . . 148 PHE CA . 17202 1 1612 . 1 1 148 148 PHE CB C 13 41.544 0.050 1 1 . . . . 148 PHE CB . 17202 1 1613 . 1 1 148 148 PHE N N 15 116.227 0.339 21 1 . . . . 148 PHE N . 17202 1 1614 . 1 1 149 149 LYS H H 1 8.477 0.008 18 1 . . . . 149 LYS H . 17202 1 1615 . 1 1 149 149 LYS HA H 1 4.672 0.009 6 1 . . . . 149 LYS HA . 17202 1 1616 . 1 1 149 149 LYS HB2 H 1 1.245 0.003 4 1 . . . . 149 LYS HB2 . 17202 1 1617 . 1 1 149 149 LYS HB3 H 1 1.245 0.003 4 1 . . . . 149 LYS HB3 . 17202 1 1618 . 1 1 149 149 LYS HG2 H 1 1.159 0.012 3 1 . . . . 149 LYS HG2 . 17202 1 1619 . 1 1 149 149 LYS HG3 H 1 1.159 0.012 3 1 . . . . 149 LYS HG3 . 17202 1 1620 . 1 1 149 149 LYS HE2 H 1 2.735 0.002 2 1 . . . . 149 LYS HE2 . 17202 1 1621 . 1 1 149 149 LYS HE3 H 1 2.735 0.002 2 1 . . . . 149 LYS HE3 . 17202 1 1622 . 1 1 149 149 LYS C C 13 175.763 0.050 1 1 . . . . 149 LYS C . 17202 1 1623 . 1 1 149 149 LYS CA C 13 55.619 0.050 1 1 . . . . 149 LYS CA . 17202 1 1624 . 1 1 149 149 LYS CB C 13 36.075 0.050 1 1 . . . . 149 LYS CB . 17202 1 1625 . 1 1 149 149 LYS N N 15 118.428 0.067 12 1 . . . . 149 LYS N . 17202 1 1626 . 1 1 150 150 ILE H H 1 8.598 0.024 18 1 . . . . 150 ILE H . 17202 1 1627 . 1 1 150 150 ILE HA H 1 3.721 0.010 16 1 . . . . 150 ILE HA . 17202 1 1628 . 1 1 150 150 ILE HG12 H 1 1.673 0.010 13 1 . . . . 150 ILE HG12 . 17202 1 1629 . 1 1 150 150 ILE HG13 H 1 1.673 0.010 13 1 . . . . 150 ILE HG13 . 17202 1 1630 . 1 1 150 150 ILE HG21 H 1 0.887 0.012 16 1 . . . . 150 ILE MG . 17202 1 1631 . 1 1 150 150 ILE HG22 H 1 0.887 0.012 16 1 . . . . 150 ILE MG . 17202 1 1632 . 1 1 150 150 ILE HG23 H 1 0.887 0.012 16 1 . . . . 150 ILE MG . 17202 1 1633 . 1 1 150 150 ILE HD11 H 1 0.237 0.005 3 1 . . . . 150 ILE MD . 17202 1 1634 . 1 1 150 150 ILE HD12 H 1 0.237 0.005 3 1 . . . . 150 ILE MD . 17202 1 1635 . 1 1 150 150 ILE HD13 H 1 0.237 0.005 3 1 . . . . 150 ILE MD . 17202 1 1636 . 1 1 150 150 ILE C C 13 174.920 0.050 1 1 . . . . 150 ILE C . 17202 1 1637 . 1 1 150 150 ILE CA C 13 63.939 0.050 1 1 . . . . 150 ILE CA . 17202 1 1638 . 1 1 150 150 ILE CB C 13 38.773 0.050 1 1 . . . . 150 ILE CB . 17202 1 1639 . 1 1 150 150 ILE CG1 C 13 29.106 0.050 1 1 . . . . 150 ILE CG1 . 17202 1 1640 . 1 1 150 150 ILE N N 15 122.385 0.264 16 1 . . . . 150 ILE N . 17202 1 1641 . 1 1 151 151 ASN H H 1 7.659 0.023 21 1 . . . . 151 ASN H . 17202 1 1642 . 1 1 151 151 ASN HA H 1 4.390 0.015 12 1 . . . . 151 ASN HA . 17202 1 1643 . 1 1 151 151 ASN HB2 H 1 3.339 0.013 6 2 . . . . 151 ASN HB2 . 17202 1 1644 . 1 1 151 151 ASN HB3 H 1 3.238 0.011 9 2 . . . . 151 ASN HB3 . 17202 1 1645 . 1 1 151 151 ASN HD21 H 1 7.637 0.037 7 2 . . . . 151 ASN HD21 . 17202 1 1646 . 1 1 151 151 ASN HD22 H 1 6.739 0.026 17 2 . . . . 151 ASN HD22 . 17202 1 1647 . 1 1 151 151 ASN C C 13 176.003 0.050 1 1 . . . . 151 ASN C . 17202 1 1648 . 1 1 151 151 ASN CA C 13 52.577 0.050 1 1 . . . . 151 ASN CA . 17202 1 1649 . 1 1 151 151 ASN CB C 13 38.118 0.050 1 1 . . . . 151 ASN CB . 17202 1 1650 . 1 1 151 151 ASN N N 15 110.236 0.244 18 1 . . . . 151 ASN N . 17202 1 1651 . 1 1 151 151 ASN ND2 N 15 113.805 0.374 13 1 . . . . 151 ASN ND2 . 17202 1 1652 . 1 1 152 152 ALA H H 1 8.567 0.021 24 1 . . . . 152 ALA H . 17202 1 1653 . 1 1 152 152 ALA HA H 1 4.060 0.006 7 1 . . . . 152 ALA HA . 17202 1 1654 . 1 1 152 152 ALA HB1 H 1 1.440 0.008 11 1 . . . . 152 ALA MB . 17202 1 1655 . 1 1 152 152 ALA HB2 H 1 1.440 0.008 11 1 . . . . 152 ALA MB . 17202 1 1656 . 1 1 152 152 ALA HB3 H 1 1.440 0.008 11 1 . . . . 152 ALA MB . 17202 1 1657 . 1 1 152 152 ALA C C 13 178.648 0.050 1 1 . . . . 152 ALA C . 17202 1 1658 . 1 1 152 152 ALA CA C 13 55.325 0.050 1 1 . . . . 152 ALA CA . 17202 1 1659 . 1 1 152 152 ALA CB C 13 19.235 0.002 2 1 . . . . 152 ALA CB . 17202 1 1660 . 1 1 152 152 ALA N N 15 118.860 0.225 18 1 . . . . 152 ALA N . 17202 1 1661 . 1 1 153 153 ASN H H 1 7.982 0.021 27 1 . . . . 153 ASN H . 17202 1 1662 . 1 1 153 153 ASN HA H 1 4.814 0.007 13 1 . . . . 153 ASN HA . 17202 1 1663 . 1 1 153 153 ASN HB2 H 1 2.914 0.004 10 2 . . . . 153 ASN HB2 . 17202 1 1664 . 1 1 153 153 ASN HB3 H 1 2.581 0.006 12 2 . . . . 153 ASN HB3 . 17202 1 1665 . 1 1 153 153 ASN HD21 H 1 7.508 0.039 6 2 . . . . 153 ASN HD21 . 17202 1 1666 . 1 1 153 153 ASN HD22 H 1 6.864 0.037 7 2 . . . . 153 ASN HD22 . 17202 1 1667 . 1 1 153 153 ASN C C 13 175.110 0.050 1 1 . . . . 153 ASN C . 17202 1 1668 . 1 1 153 153 ASN CA C 13 52.834 0.222 4 1 . . . . 153 ASN CA . 17202 1 1669 . 1 1 153 153 ASN CB C 13 39.154 0.121 2 1 . . . . 153 ASN CB . 17202 1 1670 . 1 1 153 153 ASN N N 15 113.428 0.233 20 1 . . . . 153 ASN N . 17202 1 1671 . 1 1 153 153 ASN ND2 N 15 114.334 0.990 3 1 . . . . 153 ASN ND2 . 17202 1 1672 . 1 1 154 154 SER H H 1 7.603 0.024 19 1 . . . . 154 SER H . 17202 1 1673 . 1 1 154 154 SER HA H 1 4.623 0.011 7 1 . . . . 154 SER HA . 17202 1 1674 . 1 1 154 154 SER HB2 H 1 4.297 0.007 10 2 . . . . 154 SER HB2 . 17202 1 1675 . 1 1 154 154 SER HB3 H 1 3.911 0.004 9 2 . . . . 154 SER HB3 . 17202 1 1676 . 1 1 154 154 SER C C 13 173.529 0.050 1 1 . . . . 154 SER C . 17202 1 1677 . 1 1 154 154 SER CA C 13 57.995 0.062 2 1 . . . . 154 SER CA . 17202 1 1678 . 1 1 154 154 SER CB C 13 66.107 0.050 1 1 . . . . 154 SER CB . 17202 1 1679 . 1 1 154 154 SER N N 15 116.702 0.237 16 1 . . . . 154 SER N . 17202 1 1680 . 1 1 155 155 LYS H H 1 8.235 0.024 20 1 . . . . 155 LYS H . 17202 1 1681 . 1 1 155 155 LYS HA H 1 4.125 0.006 11 1 . . . . 155 LYS HA . 17202 1 1682 . 1 1 155 155 LYS HB2 H 1 1.353 0.012 10 1 . . . . 155 LYS HB2 . 17202 1 1683 . 1 1 155 155 LYS HB3 H 1 1.353 0.012 10 1 . . . . 155 LYS HB3 . 17202 1 1684 . 1 1 155 155 LYS HG2 H 1 1.058 0.016 10 1 . . . . 155 LYS HG2 . 17202 1 1685 . 1 1 155 155 LYS HG3 H 1 1.058 0.016 10 1 . . . . 155 LYS HG3 . 17202 1 1686 . 1 1 155 155 LYS HD2 H 1 1.432 0.007 4 1 . . . . 155 LYS HD2 . 17202 1 1687 . 1 1 155 155 LYS HD3 H 1 1.432 0.007 4 1 . . . . 155 LYS HD3 . 17202 1 1688 . 1 1 155 155 LYS HE2 H 1 2.737 0.004 5 1 . . . . 155 LYS HE2 . 17202 1 1689 . 1 1 155 155 LYS HE3 H 1 2.737 0.004 5 1 . . . . 155 LYS HE3 . 17202 1 1690 . 1 1 155 155 LYS C C 13 174.759 0.050 1 1 . . . . 155 LYS C . 17202 1 1691 . 1 1 155 155 LYS CA C 13 56.401 0.023 2 1 . . . . 155 LYS CA . 17202 1 1692 . 1 1 155 155 LYS CB C 13 32.647 0.015 2 1 . . . . 155 LYS CB . 17202 1 1693 . 1 1 155 155 LYS CG C 13 24.423 0.050 1 1 . . . . 155 LYS CG . 17202 1 1694 . 1 1 155 155 LYS CD C 13 29.211 0.050 1 1 . . . . 155 LYS CD . 17202 1 1695 . 1 1 155 155 LYS CE C 13 41.922 0.050 1 1 . . . . 155 LYS CE . 17202 1 1696 . 1 1 155 155 LYS N N 15 120.831 0.246 15 1 . . . . 155 LYS N . 17202 1 1697 . 1 1 156 156 LEU H H 1 7.950 0.024 18 1 . . . . 156 LEU H . 17202 1 1698 . 1 1 156 156 LEU HA H 1 4.470 0.008 10 1 . . . . 156 LEU HA . 17202 1 1699 . 1 1 156 156 LEU HB2 H 1 1.619 0.011 5 1 . . . . 156 LEU HB2 . 17202 1 1700 . 1 1 156 156 LEU HB3 H 1 1.619 0.011 5 1 . . . . 156 LEU HB3 . 17202 1 1701 . 1 1 156 156 LEU HG H 1 1.344 0.006 6 1 . . . . 156 LEU HG . 17202 1 1702 . 1 1 156 156 LEU HD11 H 1 0.819 0.004 12 2 . . . . 156 LEU MD1 . 17202 1 1703 . 1 1 156 156 LEU HD12 H 1 0.819 0.004 12 2 . . . . 156 LEU MD1 . 17202 1 1704 . 1 1 156 156 LEU HD13 H 1 0.819 0.004 12 2 . . . . 156 LEU MD1 . 17202 1 1705 . 1 1 156 156 LEU HD21 H 1 0.754 0.003 17 2 . . . . 156 LEU MD2 . 17202 1 1706 . 1 1 156 156 LEU HD22 H 1 0.754 0.003 17 2 . . . . 156 LEU MD2 . 17202 1 1707 . 1 1 156 156 LEU HD23 H 1 0.754 0.003 17 2 . . . . 156 LEU MD2 . 17202 1 1708 . 1 1 156 156 LEU C C 13 176.333 0.050 1 1 . . . . 156 LEU C . 17202 1 1709 . 1 1 156 156 LEU CA C 13 54.718 0.050 1 1 . . . . 156 LEU CA . 17202 1 1710 . 1 1 156 156 LEU CB C 13 42.299 0.050 1 1 . . . . 156 LEU CB . 17202 1 1711 . 1 1 156 156 LEU N N 15 122.678 0.255 14 1 . . . . 156 LEU N . 17202 1 1712 . 1 1 157 157 TYR H H 1 8.860 0.022 21 1 . . . . 157 TYR H . 17202 1 1713 . 1 1 157 157 TYR HA H 1 4.263 0.005 7 1 . . . . 157 TYR HA . 17202 1 1714 . 1 1 157 157 TYR HB2 H 1 1.850 0.008 4 1 . . . . 157 TYR HB2 . 17202 1 1715 . 1 1 157 157 TYR HB3 H 1 1.850 0.008 4 1 . . . . 157 TYR HB3 . 17202 1 1716 . 1 1 157 157 TYR HD1 H 1 6.886 0.008 5 1 . . . . 157 TYR HD1 . 17202 1 1717 . 1 1 157 157 TYR HD2 H 1 6.886 0.008 5 1 . . . . 157 TYR HD2 . 17202 1 1718 . 1 1 157 157 TYR C C 13 174.639 0.050 1 1 . . . . 157 TYR C . 17202 1 1719 . 1 1 157 157 TYR CA C 13 57.689 0.050 1 1 . . . . 157 TYR CA . 17202 1 1720 . 1 1 157 157 TYR CB C 13 40.608 0.050 1 1 . . . . 157 TYR CB . 17202 1 1721 . 1 1 157 157 TYR N N 15 129.816 0.331 18 1 . . . . 157 TYR N . 17202 1 1722 . 1 1 158 158 THR H H 1 8.275 0.021 22 1 . . . . 158 THR H . 17202 1 1723 . 1 1 158 158 THR HA H 1 5.016 0.010 9 1 . . . . 158 THR HA . 17202 1 1724 . 1 1 158 158 THR HB H 1 3.937 0.006 4 1 . . . . 158 THR HB . 17202 1 1725 . 1 1 158 158 THR HG21 H 1 1.119 0.014 24 1 . . . . 158 THR MG . 17202 1 1726 . 1 1 158 158 THR HG22 H 1 1.119 0.014 24 1 . . . . 158 THR MG . 17202 1 1727 . 1 1 158 158 THR HG23 H 1 1.119 0.014 24 1 . . . . 158 THR MG . 17202 1 1728 . 1 1 158 158 THR C C 13 173.828 0.050 1 1 . . . . 158 THR C . 17202 1 1729 . 1 1 158 158 THR CA C 13 62.123 0.050 1 1 . . . . 158 THR CA . 17202 1 1730 . 1 1 158 158 THR CB C 13 70.489 0.050 1 1 . . . . 158 THR CB . 17202 1 1731 . 1 1 158 158 THR N N 15 114.840 0.236 20 1 . . . . 158 THR N . 17202 1 1732 . 1 1 159 159 TRP H H 1 10.025 0.022 23 1 . . . . 159 TRP H . 17202 1 1733 . 1 1 159 159 TRP HA H 1 5.455 0.029 16 1 . . . . 159 TRP HA . 17202 1 1734 . 1 1 159 159 TRP HB2 H 1 3.319 0.032 3 2 . . . . 159 TRP HB2 . 17202 1 1735 . 1 1 159 159 TRP HB3 H 1 3.271 0.011 4 2 . . . . 159 TRP HB3 . 17202 1 1736 . 1 1 159 159 TRP HD1 H 1 7.437 0.019 16 1 . . . . 159 TRP HD1 . 17202 1 1737 . 1 1 159 159 TRP HE1 H 1 10.252 0.403 5 1 . . . . 159 TRP HE1 . 17202 1 1738 . 1 1 159 159 TRP HE3 H 1 7.704 0.003 1 1 . . . . 159 TRP HE3 . 17202 1 1739 . 1 1 159 159 TRP C C 13 174.868 0.050 1 1 . . . . 159 TRP C . 17202 1 1740 . 1 1 159 159 TRP CA C 13 54.209 0.050 1 1 . . . . 159 TRP CA . 17202 1 1741 . 1 1 159 159 TRP CB C 13 32.843 0.115 2 1 . . . . 159 TRP CB . 17202 1 1742 . 1 1 159 159 TRP N N 15 129.073 0.378 14 1 . . . . 159 TRP N . 17202 1 1743 . 1 1 159 159 TRP NE1 N 15 130.680 0.515 2 1 . . . . 159 TRP NE1 . 17202 1 1744 . 1 1 160 160 ASN H H 1 9.126 0.025 19 1 . . . . 160 ASN H . 17202 1 1745 . 1 1 160 160 ASN HA H 1 5.727 0.014 8 1 . . . . 160 ASN HA . 17202 1 1746 . 1 1 160 160 ASN HB2 H 1 3.040 0.015 6 1 . . . . 160 ASN HB2 . 17202 1 1747 . 1 1 160 160 ASN HB3 H 1 3.040 0.015 6 1 . . . . 160 ASN HB3 . 17202 1 1748 . 1 1 160 160 ASN HD21 H 1 7.585 0.132 2 2 . . . . 160 ASN HD21 . 17202 1 1749 . 1 1 160 160 ASN HD22 H 1 6.986 0.043 5 2 . . . . 160 ASN HD22 . 17202 1 1750 . 1 1 160 160 ASN C C 13 173.879 0.050 1 1 . . . . 160 ASN C . 17202 1 1751 . 1 1 160 160 ASN CA C 13 53.736 0.050 1 1 . . . . 160 ASN CA . 17202 1 1752 . 1 1 160 160 ASN CB C 13 41.771 0.050 1 1 . . . . 160 ASN CB . 17202 1 1753 . 1 1 160 160 ASN N N 15 118.987 0.256 15 1 . . . . 160 ASN N . 17202 1 1754 . 1 1 160 160 ASN ND2 N 15 116.864 0.300 1 1 . . . . 160 ASN ND2 . 17202 1 1755 . 1 1 161 161 VAL H H 1 9.195 0.024 17 1 . . . . 161 VAL H . 17202 1 1756 . 1 1 161 161 VAL HA H 1 5.261 0.025 4 1 . . . . 161 VAL HA . 17202 1 1757 . 1 1 161 161 VAL HB H 1 2.359 0.006 2 1 . . . . 161 VAL HB . 17202 1 1758 . 1 1 161 161 VAL HG11 H 1 1.027 0.011 15 1 . . . . 161 VAL MG1 . 17202 1 1759 . 1 1 161 161 VAL HG12 H 1 1.027 0.011 15 1 . . . . 161 VAL MG1 . 17202 1 1760 . 1 1 161 161 VAL HG13 H 1 1.027 0.011 15 1 . . . . 161 VAL MG1 . 17202 1 1761 . 1 1 161 161 VAL HG21 H 1 1.027 0.011 15 1 . . . . 161 VAL MG2 . 17202 1 1762 . 1 1 161 161 VAL HG22 H 1 1.027 0.011 15 1 . . . . 161 VAL MG2 . 17202 1 1763 . 1 1 161 161 VAL HG23 H 1 1.027 0.011 15 1 . . . . 161 VAL MG2 . 17202 1 1764 . 1 1 161 161 VAL C C 13 174.316 0.050 1 1 . . . . 161 VAL C . 17202 1 1765 . 1 1 161 161 VAL CA C 13 60.559 0.050 1 1 . . . . 161 VAL CA . 17202 1 1766 . 1 1 161 161 VAL CB C 13 35.918 0.050 1 1 . . . . 161 VAL CB . 17202 1 1767 . 1 1 161 161 VAL CG1 C 13 22.228 0.050 1 1 . . . . 161 VAL CG1 . 17202 1 1768 . 1 1 161 161 VAL CG2 C 13 22.228 0.050 1 1 . . . . 161 VAL CG2 . 17202 1 1769 . 1 1 161 161 VAL N N 15 122.826 0.357 15 1 . . . . 161 VAL N . 17202 1 1770 . 1 1 162 162 LYS H H 1 9.057 0.025 17 1 . . . . 162 LYS H . 17202 1 1771 . 1 1 162 162 LYS HA H 1 3.674 0.011 5 1 . . . . 162 LYS HA . 17202 1 1772 . 1 1 162 162 LYS HB2 H 1 1.420 0.301 6 1 . . . . 162 LYS HB2 . 17202 1 1773 . 1 1 162 162 LYS HB3 H 1 1.420 0.301 6 1 . . . . 162 LYS HB3 . 17202 1 1774 . 1 1 162 162 LYS HE2 H 1 2.562 0.010 2 1 . . . . 162 LYS HE2 . 17202 1 1775 . 1 1 162 162 LYS HE3 H 1 2.562 0.010 2 1 . . . . 162 LYS HE3 . 17202 1 1776 . 1 1 162 162 LYS C C 13 175.745 0.050 1 1 . . . . 162 LYS C . 17202 1 1777 . 1 1 162 162 LYS CA C 13 56.008 0.050 1 1 . . . . 162 LYS CA . 17202 1 1778 . 1 1 162 162 LYS CB C 13 35.116 0.050 1 1 . . . . 162 LYS CB . 17202 1 1779 . 1 1 162 162 LYS N N 15 130.790 0.347 16 1 . . . . 162 LYS N . 17202 1 1780 . 1 1 163 163 LEU H H 1 8.023 0.031 19 1 . . . . 163 LEU H . 17202 1 1781 . 1 1 163 163 LEU HA H 1 4.495 0.007 8 1 . . . . 163 LEU HA . 17202 1 1782 . 1 1 163 163 LEU HB2 H 1 1.265 0.003 1 1 . . . . 163 LEU HB2 . 17202 1 1783 . 1 1 163 163 LEU HB3 H 1 1.265 0.003 1 1 . . . . 163 LEU HB3 . 17202 1 1784 . 1 1 163 163 LEU HG H 1 1.035 0.014 12 1 . . . . 163 LEU HG . 17202 1 1785 . 1 1 163 163 LEU HD11 H 1 0.562 0.008 12 2 . . . . 163 LEU MD1 . 17202 1 1786 . 1 1 163 163 LEU HD12 H 1 0.562 0.008 12 2 . . . . 163 LEU MD1 . 17202 1 1787 . 1 1 163 163 LEU HD13 H 1 0.562 0.008 12 2 . . . . 163 LEU MD1 . 17202 1 1788 . 1 1 163 163 LEU HD21 H 1 0.265 0.010 12 2 . . . . 163 LEU MD2 . 17202 1 1789 . 1 1 163 163 LEU HD22 H 1 0.265 0.010 12 2 . . . . 163 LEU MD2 . 17202 1 1790 . 1 1 163 163 LEU HD23 H 1 0.265 0.010 12 2 . . . . 163 LEU MD2 . 17202 1 1791 . 1 1 163 163 LEU C C 13 175.029 0.050 1 1 . . . . 163 LEU C . 17202 1 1792 . 1 1 163 163 LEU CB C 13 42.620 0.050 1 1 . . . . 163 LEU CB . 17202 1 1793 . 1 1 163 163 LEU CG C 13 26.898 0.050 1 1 . . . . 163 LEU CG . 17202 1 1794 . 1 1 163 163 LEU N N 15 127.374 0.323 17 1 . . . . 163 LEU N . 17202 1 1795 . 1 1 164 164 THR H H 1 8.428 0.029 20 1 . . . . 164 THR H . 17202 1 1796 . 1 1 164 164 THR HA H 1 4.876 0.011 10 1 . . . . 164 THR HA . 17202 1 1797 . 1 1 164 164 THR HB H 1 3.790 0.010 2 1 . . . . 164 THR HB . 17202 1 1798 . 1 1 164 164 THR HG21 H 1 0.972 0.007 9 1 . . . . 164 THR MG . 17202 1 1799 . 1 1 164 164 THR HG22 H 1 0.972 0.007 9 1 . . . . 164 THR MG . 17202 1 1800 . 1 1 164 164 THR HG23 H 1 0.972 0.007 9 1 . . . . 164 THR MG . 17202 1 1801 . 1 1 164 164 THR C C 13 171.854 0.050 1 1 . . . . 164 THR C . 17202 1 1802 . 1 1 164 164 THR CA C 13 60.237 0.050 1 1 . . . . 164 THR CA . 17202 1 1803 . 1 1 164 164 THR CB C 13 71.095 0.255 2 1 . . . . 164 THR CB . 17202 1 1804 . 1 1 164 164 THR CG2 C 13 20.566 0.050 1 1 . . . . 164 THR CG2 . 17202 1 1805 . 1 1 164 164 THR N N 15 121.054 0.388 15 1 . . . . 164 THR N . 17202 1 1806 . 1 1 165 165 ASN H H 1 8.423 0.025 16 1 . . . . 165 ASN H . 17202 1 1807 . 1 1 165 165 ASN HA H 1 3.986 0.012 4 1 . . . . 165 ASN HA . 17202 1 1808 . 1 1 165 165 ASN HB2 H 1 2.918 0.016 3 2 . . . . 165 ASN HB2 . 17202 1 1809 . 1 1 165 165 ASN HB3 H 1 1.753 0.004 5 2 . . . . 165 ASN HB3 . 17202 1 1810 . 1 1 165 165 ASN C C 13 173.870 0.050 1 1 . . . . 165 ASN C . 17202 1 1811 . 1 1 165 165 ASN CA C 13 54.598 0.050 1 1 . . . . 165 ASN CA . 17202 1 1812 . 1 1 165 165 ASN CB C 13 38.407 0.050 1 1 . . . . 165 ASN CB . 17202 1 1813 . 1 1 165 165 ASN N N 15 109.179 0.319 11 1 . . . . 165 ASN N . 17202 1 1814 . 1 1 166 166 THR H H 1 7.743 0.024 21 1 . . . . 166 THR H . 17202 1 1815 . 1 1 166 166 THR HA H 1 4.262 0.012 11 1 . . . . 166 THR HA . 17202 1 1816 . 1 1 166 166 THR HB H 1 4.493 0.011 6 1 . . . . 166 THR HB . 17202 1 1817 . 1 1 166 166 THR HG21 H 1 0.975 0.008 9 1 . . . . 166 THR MG . 17202 1 1818 . 1 1 166 166 THR HG22 H 1 0.975 0.008 9 1 . . . . 166 THR MG . 17202 1 1819 . 1 1 166 166 THR HG23 H 1 0.975 0.008 9 1 . . . . 166 THR MG . 17202 1 1820 . 1 1 166 166 THR C C 13 173.460 0.050 1 1 . . . . 166 THR C . 17202 1 1821 . 1 1 166 166 THR CA C 13 60.551 0.013 2 1 . . . . 166 THR CA . 17202 1 1822 . 1 1 166 166 THR CB C 13 69.329 0.050 1 1 . . . . 166 THR CB . 17202 1 1823 . 1 1 166 166 THR CG2 C 13 21.439 0.050 1 1 . . . . 166 THR CG2 . 17202 1 1824 . 1 1 166 166 THR N N 15 105.705 0.225 17 1 . . . . 166 THR N . 17202 1 1825 . 1 1 167 167 GLY H H 1 6.786 0.024 18 1 . . . . 167 GLY H . 17202 1 1826 . 1 1 167 167 GLY HA2 H 1 4.118 0.012 7 2 . . . . 167 GLY HA2 . 17202 1 1827 . 1 1 167 167 GLY HA3 H 1 2.957 0.014 8 2 . . . . 167 GLY HA3 . 17202 1 1828 . 1 1 167 167 GLY C C 13 170.433 0.050 1 1 . . . . 167 GLY C . 17202 1 1829 . 1 1 167 167 GLY CA C 13 45.643 0.050 1 1 . . . . 167 GLY CA . 17202 1 1830 . 1 1 167 167 GLY N N 15 112.765 0.301 13 1 . . . . 167 GLY N . 17202 1 1831 . 1 1 168 168 TYR H H 1 9.008 0.025 15 1 . . . . 168 TYR H . 17202 1 1832 . 1 1 168 168 TYR HA H 1 5.056 0.009 6 1 . . . . 168 TYR HA . 17202 1 1833 . 1 1 168 168 TYR HB2 H 1 2.147 0.005 3 1 . . . . 168 TYR HB2 . 17202 1 1834 . 1 1 168 168 TYR HB3 H 1 2.147 0.005 3 1 . . . . 168 TYR HB3 . 17202 1 1835 . 1 1 168 168 TYR HD1 H 1 6.672 0.018 14 1 . . . . 168 TYR HD1 . 17202 1 1836 . 1 1 168 168 TYR HD2 H 1 6.672 0.018 14 1 . . . . 168 TYR HD2 . 17202 1 1837 . 1 1 168 168 TYR HE1 H 1 6.166 0.013 18 1 . . . . 168 TYR HE1 . 17202 1 1838 . 1 1 168 168 TYR HE2 H 1 6.166 0.013 18 1 . . . . 168 TYR HE2 . 17202 1 1839 . 1 1 168 168 TYR HH H 1 9.194 0.006 3 1 . . . . 168 TYR HH . 17202 1 1840 . 1 1 168 168 TYR C C 13 174.922 0.050 1 1 . . . . 168 TYR C . 17202 1 1841 . 1 1 168 168 TYR CA C 13 55.077 0.050 1 1 . . . . 168 TYR CA . 17202 1 1842 . 1 1 168 168 TYR CB C 13 41.430 0.050 1 1 . . . . 168 TYR CB . 17202 1 1843 . 1 1 168 168 TYR N N 15 120.816 0.350 13 1 . . . . 168 TYR N . 17202 1 1844 . 1 1 169 169 PHE H H 1 9.645 0.031 21 1 . . . . 169 PHE H . 17202 1 1845 . 1 1 169 169 PHE HA H 1 5.355 0.022 8 1 . . . . 169 PHE HA . 17202 1 1846 . 1 1 169 169 PHE HB2 H 1 3.004 0.014 3 2 . . . . 169 PHE HB2 . 17202 1 1847 . 1 1 169 169 PHE HB3 H 1 2.791 0.006 4 2 . . . . 169 PHE HB3 . 17202 1 1848 . 1 1 169 169 PHE HD1 H 1 6.987 0.026 3 1 . . . . 169 PHE HD1 . 17202 1 1849 . 1 1 169 169 PHE HD2 H 1 6.987 0.026 3 1 . . . . 169 PHE HD2 . 17202 1 1850 . 1 1 169 169 PHE C C 13 174.253 0.050 1 1 . . . . 169 PHE C . 17202 1 1851 . 1 1 169 169 PHE CA C 13 57.951 0.035 2 1 . . . . 169 PHE CA . 17202 1 1852 . 1 1 169 169 PHE CB C 13 40.832 0.050 1 1 . . . . 169 PHE CB . 17202 1 1853 . 1 1 169 169 PHE N N 15 127.163 0.327 19 1 . . . . 169 PHE N . 17202 1 1854 . 1 1 170 170 LEU H H 1 8.442 0.020 27 1 . . . . 170 LEU H . 17202 1 1855 . 1 1 170 170 LEU HA H 1 4.944 0.011 7 1 . . . . 170 LEU HA . 17202 1 1856 . 1 1 170 170 LEU HB2 H 1 2.151 0.003 1 1 . . . . 170 LEU HB2 . 17202 1 1857 . 1 1 170 170 LEU HB3 H 1 2.151 0.003 1 1 . . . . 170 LEU HB3 . 17202 1 1858 . 1 1 170 170 LEU HD11 H 1 0.906 0.005 3 2 . . . . 170 LEU MD1 . 17202 1 1859 . 1 1 170 170 LEU HD12 H 1 0.906 0.005 3 2 . . . . 170 LEU MD1 . 17202 1 1860 . 1 1 170 170 LEU HD13 H 1 0.906 0.005 3 2 . . . . 170 LEU MD1 . 17202 1 1861 . 1 1 170 170 LEU HD21 H 1 0.745 0.011 7 2 . . . . 170 LEU MD2 . 17202 1 1862 . 1 1 170 170 LEU HD22 H 1 0.745 0.011 7 2 . . . . 170 LEU MD2 . 17202 1 1863 . 1 1 170 170 LEU HD23 H 1 0.745 0.011 7 2 . . . . 170 LEU MD2 . 17202 1 1864 . 1 1 170 170 LEU C C 13 175.417 0.050 1 1 . . . . 170 LEU C . 17202 1 1865 . 1 1 170 170 LEU CA C 13 54.490 0.050 1 1 . . . . 170 LEU CA . 17202 1 1866 . 1 1 170 170 LEU CB C 13 44.412 0.167 2 1 . . . . 170 LEU CB . 17202 1 1867 . 1 1 170 170 LEU N N 15 130.278 0.298 21 1 . . . . 170 LEU N . 17202 1 1868 . 1 1 171 171 VAL H H 1 9.537 0.023 19 1 . . . . 171 VAL H . 17202 1 1869 . 1 1 171 171 VAL HA H 1 3.182 0.006 6 1 . . . . 171 VAL HA . 17202 1 1870 . 1 1 171 171 VAL HB H 1 2.358 0.007 5 1 . . . . 171 VAL HB . 17202 1 1871 . 1 1 171 171 VAL HG11 H 1 1.188 0.004 4 2 . . . . 171 VAL MG1 . 17202 1 1872 . 1 1 171 171 VAL HG12 H 1 1.188 0.004 4 2 . . . . 171 VAL MG1 . 17202 1 1873 . 1 1 171 171 VAL HG13 H 1 1.188 0.004 4 2 . . . . 171 VAL MG1 . 17202 1 1874 . 1 1 171 171 VAL HG21 H 1 0.786 0.007 6 2 . . . . 171 VAL MG2 . 17202 1 1875 . 1 1 171 171 VAL HG22 H 1 0.786 0.007 6 2 . . . . 171 VAL MG2 . 17202 1 1876 . 1 1 171 171 VAL HG23 H 1 0.786 0.007 6 2 . . . . 171 VAL MG2 . 17202 1 1877 . 1 1 171 171 VAL C C 13 173.977 0.050 1 1 . . . . 171 VAL C . 17202 1 1878 . 1 1 171 171 VAL CA C 13 68.940 0.050 1 1 . . . . 171 VAL CA . 17202 1 1879 . 1 1 171 171 VAL CB C 13 29.894 0.050 1 1 . . . . 171 VAL CB . 17202 1 1880 . 1 1 171 171 VAL CG1 C 13 21.628 0.050 1 1 . . . . 171 VAL CG1 . 17202 1 1881 . 1 1 171 171 VAL CG2 C 13 21.628 0.050 1 1 . . . . 171 VAL CG2 . 17202 1 1882 . 1 1 171 171 VAL N N 15 125.028 0.256 14 1 . . . . 171 VAL N . 17202 1 1883 . 1 1 172 172 ASN H H 1 8.658 0.022 24 1 . . . . 172 ASN H . 17202 1 1884 . 1 1 172 172 ASN HA H 1 4.687 0.006 12 1 . . . . 172 ASN HA . 17202 1 1885 . 1 1 172 172 ASN HB2 H 1 3.005 0.004 7 2 . . . . 172 ASN HB2 . 17202 1 1886 . 1 1 172 172 ASN HB3 H 1 2.756 0.008 6 2 . . . . 172 ASN HB3 . 17202 1 1887 . 1 1 172 172 ASN HD21 H 1 7.451 0.048 5 2 . . . . 172 ASN HD21 . 17202 1 1888 . 1 1 172 172 ASN HD22 H 1 6.748 0.043 5 2 . . . . 172 ASN HD22 . 17202 1 1889 . 1 1 172 172 ASN C C 13 173.369 0.050 1 1 . . . . 172 ASN C . 17202 1 1890 . 1 1 172 172 ASN CA C 13 53.231 0.050 1 1 . . . . 172 ASN CA . 17202 1 1891 . 1 1 172 172 ASN CB C 13 38.683 0.050 1 1 . . . . 172 ASN CB . 17202 1 1892 . 1 1 172 172 ASN N N 15 119.459 0.242 19 1 . . . . 172 ASN N . 17202 1 1893 . 1 1 172 172 ASN ND2 N 15 111.861 0.013 2 1 . . . . 172 ASN ND2 . 17202 1 1894 . 1 1 173 173 TYR H H 1 6.942 0.021 27 1 . . . . 173 TYR H . 17202 1 1895 . 1 1 173 173 TYR HA H 1 4.308 0.007 7 1 . . . . 173 TYR HA . 17202 1 1896 . 1 1 173 173 TYR HB2 H 1 2.626 0.013 5 1 . . . . 173 TYR HB2 . 17202 1 1897 . 1 1 173 173 TYR HB3 H 1 2.626 0.013 5 1 . . . . 173 TYR HB3 . 17202 1 1898 . 1 1 173 173 TYR HD1 H 1 7.165 0.012 7 1 . . . . 173 TYR HD1 . 17202 1 1899 . 1 1 173 173 TYR HD2 H 1 7.165 0.012 7 1 . . . . 173 TYR HD2 . 17202 1 1900 . 1 1 173 173 TYR HE1 H 1 6.163 0.004 3 1 . . . . 173 TYR HE1 . 17202 1 1901 . 1 1 173 173 TYR HE2 H 1 6.163 0.004 3 1 . . . . 173 TYR HE2 . 17202 1 1902 . 1 1 173 173 TYR C C 13 170.918 0.050 1 1 . . . . 173 TYR C . 17202 1 1903 . 1 1 173 173 TYR CA C 13 57.843 0.014 2 1 . . . . 173 TYR CA . 17202 1 1904 . 1 1 173 173 TYR CB C 13 41.667 0.054 2 1 . . . . 173 TYR CB . 17202 1 1905 . 1 1 173 173 TYR N N 15 120.839 0.216 21 1 . . . . 173 TYR N . 17202 1 1906 . 1 1 174 174 ASN H H 1 7.394 0.026 20 1 . . . . 174 ASN H . 17202 1 1907 . 1 1 174 174 ASN HA H 1 4.731 0.009 7 1 . . . . 174 ASN HA . 17202 1 1908 . 1 1 174 174 ASN HB2 H 1 2.473 0.009 7 2 . . . . 174 ASN HB2 . 17202 1 1909 . 1 1 174 174 ASN HB3 H 1 2.193 0.008 9 2 . . . . 174 ASN HB3 . 17202 1 1910 . 1 1 174 174 ASN HD21 H 1 6.763 0.036 8 2 . . . . 174 ASN HD21 . 17202 1 1911 . 1 1 174 174 ASN HD22 H 1 6.111 0.039 8 2 . . . . 174 ASN HD22 . 17202 1 1912 . 1 1 174 174 ASN C C 13 173.538 0.050 1 1 . . . . 174 ASN C . 17202 1 1913 . 1 1 174 174 ASN CA C 13 51.561 0.102 2 1 . . . . 174 ASN CA . 17202 1 1914 . 1 1 174 174 ASN CB C 13 40.072 0.060 2 1 . . . . 174 ASN CB . 17202 1 1915 . 1 1 174 174 ASN N N 15 124.144 0.249 16 1 . . . . 174 ASN N . 17202 1 1916 . 1 1 174 174 ASN ND2 N 15 109.428 0.481 7 1 . . . . 174 ASN ND2 . 17202 1 1917 . 1 1 175 175 TYR H H 1 9.067 0.005 16 1 . . . . 175 TYR H . 17202 1 1918 . 1 1 175 175 TYR HD1 H 1 7.080 0.003 2 1 . . . . 175 TYR HD1 . 17202 1 1919 . 1 1 175 175 TYR HD2 H 1 7.080 0.003 2 1 . . . . 175 TYR HD2 . 17202 1 1920 . 1 1 175 175 TYR HE1 H 1 6.938 0.002 2 1 . . . . 175 TYR HE1 . 17202 1 1921 . 1 1 175 175 TYR HE2 H 1 6.938 0.002 2 1 . . . . 175 TYR HE2 . 17202 1 1922 . 1 1 175 175 TYR N N 15 125.166 0.071 11 1 . . . . 175 TYR N . 17202 1 1923 . 1 1 176 176 PRO HA H 1 4.726 0.009 8 1 . . . . 176 PRO HA . 17202 1 1924 . 1 1 176 176 PRO HB2 H 1 2.550 0.003 2 2 . . . . 176 PRO HB2 . 17202 1 1925 . 1 1 176 176 PRO HB3 H 1 2.131 0.030 2 2 . . . . 176 PRO HB3 . 17202 1 1926 . 1 1 176 176 PRO HD2 H 1 4.147 0.003 2 2 . . . . 176 PRO HD2 . 17202 1 1927 . 1 1 176 176 PRO HD3 H 1 3.876 0.003 1 2 . . . . 176 PRO HD3 . 17202 1 1928 . 1 1 176 176 PRO C C 13 174.859 0.050 1 1 . . . . 176 PRO C . 17202 1 1929 . 1 1 176 176 PRO CA C 13 64.657 0.050 1 1 . . . . 176 PRO CA . 17202 1 1930 . 1 1 176 176 PRO CB C 13 32.747 0.050 1 1 . . . . 176 PRO CB . 17202 1 1931 . 1 1 177 177 SER H H 1 7.241 0.021 29 1 . . . . 177 SER H . 17202 1 1932 . 1 1 177 177 SER HA H 1 5.139 0.014 10 1 . . . . 177 SER HA . 17202 1 1933 . 1 1 177 177 SER HB2 H 1 4.436 0.011 7 1 . . . . 177 SER HB2 . 17202 1 1934 . 1 1 177 177 SER HB3 H 1 4.436 0.011 7 1 . . . . 177 SER HB3 . 17202 1 1935 . 1 1 177 177 SER C C 13 174.236 0.050 1 1 . . . . 177 SER C . 17202 1 1936 . 1 1 177 177 SER N N 15 109.018 0.210 19 1 . . . . 177 SER N . 17202 1 1937 . 1 1 178 178 VAL H H 1 9.707 0.034 16 1 . . . . 178 VAL H . 17202 1 1938 . 1 1 178 178 VAL HA H 1 3.247 0.010 11 1 . . . . 178 VAL HA . 17202 1 1939 . 1 1 178 178 VAL HB H 1 2.064 0.012 8 1 . . . . 178 VAL HB . 17202 1 1940 . 1 1 178 178 VAL HG11 H 1 0.729 0.013 16 2 . . . . 178 VAL MG1 . 17202 1 1941 . 1 1 178 178 VAL HG12 H 1 0.729 0.013 16 2 . . . . 178 VAL MG1 . 17202 1 1942 . 1 1 178 178 VAL HG13 H 1 0.729 0.013 16 2 . . . . 178 VAL MG1 . 17202 1 1943 . 1 1 178 178 VAL HG21 H 1 -0.023 0.001 6 2 . . . . 178 VAL MG2 . 17202 1 1944 . 1 1 178 178 VAL HG22 H 1 -0.023 0.001 6 2 . . . . 178 VAL MG2 . 17202 1 1945 . 1 1 178 178 VAL HG23 H 1 -0.023 0.001 6 2 . . . . 178 VAL MG2 . 17202 1 1946 . 1 1 178 178 VAL C C 13 178.342 0.050 1 1 . . . . 178 VAL C . 17202 1 1947 . 1 1 178 178 VAL CA C 13 66.736 0.045 2 1 . . . . 178 VAL CA . 17202 1 1948 . 1 1 178 178 VAL CB C 13 31.268 0.050 1 1 . . . . 178 VAL CB . 17202 1 1949 . 1 1 178 178 VAL CG1 C 13 21.596 0.050 1 1 . . . . 178 VAL CG1 . 17202 1 1950 . 1 1 178 178 VAL CG2 C 13 21.596 0.050 1 1 . . . . 178 VAL CG2 . 17202 1 1951 . 1 1 178 178 VAL N N 15 125.306 0.277 13 1 . . . . 178 VAL N . 17202 1 1952 . 1 1 179 179 ILE H H 1 8.317 0.024 19 1 . . . . 179 ILE H . 17202 1 1953 . 1 1 179 179 ILE HA H 1 3.862 0.008 18 1 . . . . 179 ILE HA . 17202 1 1954 . 1 1 179 179 ILE HB H 1 1.797 0.011 11 1 . . . . 179 ILE HB . 17202 1 1955 . 1 1 179 179 ILE HG12 H 1 1.576 0.013 7 1 . . . . 179 ILE HG12 . 17202 1 1956 . 1 1 179 179 ILE HG13 H 1 1.576 0.013 7 1 . . . . 179 ILE HG13 . 17202 1 1957 . 1 1 179 179 ILE HG21 H 1 0.923 0.005 7 1 . . . . 179 ILE MG . 17202 1 1958 . 1 1 179 179 ILE HG22 H 1 0.923 0.005 7 1 . . . . 179 ILE MG . 17202 1 1959 . 1 1 179 179 ILE HG23 H 1 0.923 0.005 7 1 . . . . 179 ILE MG . 17202 1 1960 . 1 1 179 179 ILE HD11 H 1 0.911 0.007 19 1 . . . . 179 ILE MD . 17202 1 1961 . 1 1 179 179 ILE HD12 H 1 0.911 0.007 19 1 . . . . 179 ILE MD . 17202 1 1962 . 1 1 179 179 ILE HD13 H 1 0.911 0.007 19 1 . . . . 179 ILE MD . 17202 1 1963 . 1 1 179 179 ILE C C 13 178.471 0.050 1 1 . . . . 179 ILE C . 17202 1 1964 . 1 1 179 179 ILE CA C 13 64.995 0.004 2 1 . . . . 179 ILE CA . 17202 1 1965 . 1 1 179 179 ILE CB C 13 37.693 0.050 1 1 . . . . 179 ILE CB . 17202 1 1966 . 1 1 179 179 ILE CG2 C 13 17.350 0.050 1 1 . . . . 179 ILE CG2 . 17202 1 1967 . 1 1 179 179 ILE CD1 C 13 12.782 0.050 1 1 . . . . 179 ILE CD1 . 17202 1 1968 . 1 1 179 179 ILE N N 15 120.825 0.253 15 1 . . . . 179 ILE N . 17202 1 1969 . 1 1 180 180 GLN H H 1 7.686 0.027 15 1 . . . . 180 GLN H . 17202 1 1970 . 1 1 180 180 GLN HA H 1 4.173 0.011 14 1 . . . . 180 GLN HA . 17202 1 1971 . 1 1 180 180 GLN HB2 H 1 2.093 0.018 6 1 . . . . 180 GLN HB2 . 17202 1 1972 . 1 1 180 180 GLN HB3 H 1 2.093 0.018 6 1 . . . . 180 GLN HB3 . 17202 1 1973 . 1 1 180 180 GLN HG2 H 1 2.538 0.013 12 1 . . . . 180 GLN HG2 . 17202 1 1974 . 1 1 180 180 GLN HG3 H 1 2.538 0.013 12 1 . . . . 180 GLN HG3 . 17202 1 1975 . 1 1 180 180 GLN HE21 H 1 7.648 0.040 6 2 . . . . 180 GLN HE21 . 17202 1 1976 . 1 1 180 180 GLN HE22 H 1 7.099 0.040 6 2 . . . . 180 GLN HE22 . 17202 1 1977 . 1 1 180 180 GLN C C 13 178.448 0.050 1 1 . . . . 180 GLN C . 17202 1 1978 . 1 1 180 180 GLN CA C 13 59.736 0.050 1 1 . . . . 180 GLN CA . 17202 1 1979 . 1 1 180 180 GLN CB C 13 28.729 0.050 1 1 . . . . 180 GLN CB . 17202 1 1980 . 1 1 180 180 GLN CG C 13 35.228 0.050 1 1 . . . . 180 GLN CG . 17202 1 1981 . 1 1 180 180 GLN N N 15 118.198 0.317 11 1 . . . . 180 GLN N . 17202 1 1982 . 1 1 180 180 GLN NE2 N 15 113.794 0.341 3 1 . . . . 180 GLN NE2 . 17202 1 1983 . 1 1 181 181 LEU H H 1 8.310 0.028 24 1 . . . . 181 LEU H . 17202 1 1984 . 1 1 181 181 LEU HA H 1 3.228 0.014 11 1 . . . . 181 LEU HA . 17202 1 1985 . 1 1 181 181 LEU HB2 H 1 2.119 0.011 2 1 . . . . 181 LEU HB2 . 17202 1 1986 . 1 1 181 181 LEU HB3 H 1 2.119 0.011 2 1 . . . . 181 LEU HB3 . 17202 1 1987 . 1 1 181 181 LEU HG H 1 1.322 0.011 12 1 . . . . 181 LEU HG . 17202 1 1988 . 1 1 181 181 LEU HD11 H 1 0.746 0.005 9 2 . . . . 181 LEU MD1 . 17202 1 1989 . 1 1 181 181 LEU HD12 H 1 0.746 0.005 9 2 . . . . 181 LEU MD1 . 17202 1 1990 . 1 1 181 181 LEU HD13 H 1 0.746 0.005 9 2 . . . . 181 LEU MD1 . 17202 1 1991 . 1 1 181 181 LEU HD21 H 1 0.139 0.015 27 2 . . . . 181 LEU MD2 . 17202 1 1992 . 1 1 181 181 LEU HD22 H 1 0.139 0.015 27 2 . . . . 181 LEU MD2 . 17202 1 1993 . 1 1 181 181 LEU HD23 H 1 0.139 0.015 27 2 . . . . 181 LEU MD2 . 17202 1 1994 . 1 1 181 181 LEU C C 13 177.401 0.050 1 1 . . . . 181 LEU C . 17202 1 1995 . 1 1 181 181 LEU CA C 13 58.293 0.050 1 1 . . . . 181 LEU CA . 17202 1 1996 . 1 1 181 181 LEU CB C 13 42.096 0.050 1 1 . . . . 181 LEU CB . 17202 1 1997 . 1 1 181 181 LEU CD1 C 13 27.734 0.050 1 1 . . . . 181 LEU CD1 . 17202 1 1998 . 1 1 181 181 LEU CD2 C 13 27.734 0.050 1 1 . . . . 181 LEU CD2 . 17202 1 1999 . 1 1 181 181 LEU N N 15 124.145 0.288 21 1 . . . . 181 LEU N . 17202 1 2000 . 1 1 182 182 CYS H H 1 8.515 0.024 18 1 . . . . 182 CYS H . 17202 1 2001 . 1 1 182 182 CYS HA H 1 4.001 0.011 7 1 . . . . 182 CYS HA . 17202 1 2002 . 1 1 182 182 CYS HB2 H 1 2.788 0.017 3 1 . . . . 182 CYS HB2 . 17202 1 2003 . 1 1 182 182 CYS HB3 H 1 2.788 0.017 3 1 . . . . 182 CYS HB3 . 17202 1 2004 . 1 1 182 182 CYS C C 13 176.727 0.050 1 1 . . . . 182 CYS C . 17202 1 2005 . 1 1 182 182 CYS CA C 13 64.898 0.050 1 1 . . . . 182 CYS CA . 17202 1 2006 . 1 1 182 182 CYS CB C 13 26.682 0.050 1 1 . . . . 182 CYS CB . 17202 1 2007 . 1 1 182 182 CYS N N 15 117.466 0.305 17 1 . . . . 182 CYS N . 17202 1 2008 . 1 1 183 183 ASN H H 1 7.953 0.026 17 1 . . . . 183 ASN H . 17202 1 2009 . 1 1 183 183 ASN HA H 1 4.376 0.012 10 1 . . . . 183 ASN HA . 17202 1 2010 . 1 1 183 183 ASN HB2 H 1 2.824 0.013 12 1 . . . . 183 ASN HB2 . 17202 1 2011 . 1 1 183 183 ASN HB3 H 1 2.824 0.013 12 1 . . . . 183 ASN HB3 . 17202 1 2012 . 1 1 183 183 ASN HD21 H 1 7.547 0.034 9 2 . . . . 183 ASN HD21 . 17202 1 2013 . 1 1 183 183 ASN HD22 H 1 6.890 0.005 4 2 . . . . 183 ASN HD22 . 17202 1 2014 . 1 1 183 183 ASN C C 13 178.168 0.050 1 1 . . . . 183 ASN C . 17202 1 2015 . 1 1 183 183 ASN CA C 13 56.176 0.050 1 1 . . . . 183 ASN CA . 17202 1 2016 . 1 1 183 183 ASN CB C 13 37.786 0.050 1 1 . . . . 183 ASN CB . 17202 1 2017 . 1 1 183 183 ASN N N 15 118.610 0.297 13 1 . . . . 183 ASN N . 17202 1 2018 . 1 1 183 183 ASN ND2 N 15 112.178 0.466 4 1 . . . . 183 ASN ND2 . 17202 1 2019 . 1 1 184 184 GLY H H 1 8.437 0.022 22 1 . . . . 184 GLY H . 17202 1 2020 . 1 1 184 184 GLY HA2 H 1 3.840 0.007 5 2 . . . . 184 GLY HA2 . 17202 1 2021 . 1 1 184 184 GLY HA3 H 1 3.570 0.013 8 2 . . . . 184 GLY HA3 . 17202 1 2022 . 1 1 184 184 GLY C C 13 176.063 0.050 1 1 . . . . 184 GLY C . 17202 1 2023 . 1 1 184 184 GLY CA C 13 47.086 0.050 1 1 . . . . 184 GLY CA . 17202 1 2024 . 1 1 184 184 GLY N N 15 110.751 0.237 18 1 . . . . 184 GLY N . 17202 1 2025 . 1 1 185 185 PHE H H 1 8.506 0.026 16 1 . . . . 185 PHE H . 17202 1 2026 . 1 1 185 185 PHE HA H 1 4.060 0.013 7 1 . . . . 185 PHE HA . 17202 1 2027 . 1 1 185 185 PHE HB2 H 1 2.734 0.015 3 1 . . . . 185 PHE HB2 . 17202 1 2028 . 1 1 185 185 PHE HB3 H 1 2.734 0.015 3 1 . . . . 185 PHE HB3 . 17202 1 2029 . 1 1 185 185 PHE HD1 H 1 6.182 0.018 15 1 . . . . 185 PHE HD1 . 17202 1 2030 . 1 1 185 185 PHE HD2 H 1 6.182 0.018 15 1 . . . . 185 PHE HD2 . 17202 1 2031 . 1 1 185 185 PHE HE1 H 1 6.865 0.015 20 1 . . . . 185 PHE HE1 . 17202 1 2032 . 1 1 185 185 PHE HE2 H 1 6.865 0.015 20 1 . . . . 185 PHE HE2 . 17202 1 2033 . 1 1 185 185 PHE C C 13 175.715 0.050 1 1 . . . . 185 PHE C . 17202 1 2034 . 1 1 185 185 PHE CA C 13 60.464 0.050 1 1 . . . . 185 PHE CA . 17202 1 2035 . 1 1 185 185 PHE CB C 13 37.981 0.010 2 1 . . . . 185 PHE CB . 17202 1 2036 . 1 1 185 185 PHE N N 15 122.833 0.278 14 1 . . . . 185 PHE N . 17202 1 2037 . 1 1 186 186 LYS H H 1 7.793 0.023 24 1 . . . . 186 LYS H . 17202 1 2038 . 1 1 186 186 LYS HA H 1 3.148 0.007 15 1 . . . . 186 LYS HA . 17202 1 2039 . 1 1 186 186 LYS HB2 H 1 1.790 0.003 3 2 . . . . 186 LYS HB2 . 17202 1 2040 . 1 1 186 186 LYS HB3 H 1 1.693 0.005 4 2 . . . . 186 LYS HB3 . 17202 1 2041 . 1 1 186 186 LYS HG2 H 1 1.210 0.007 9 1 . . . . 186 LYS HG2 . 17202 1 2042 . 1 1 186 186 LYS HG3 H 1 1.210 0.007 9 1 . . . . 186 LYS HG3 . 17202 1 2043 . 1 1 186 186 LYS HD2 H 1 1.495 0.007 4 1 . . . . 186 LYS HD2 . 17202 1 2044 . 1 1 186 186 LYS HD3 H 1 1.495 0.007 4 1 . . . . 186 LYS HD3 . 17202 1 2045 . 1 1 186 186 LYS HE2 H 1 2.898 0.003 4 1 . . . . 186 LYS HE2 . 17202 1 2046 . 1 1 186 186 LYS HE3 H 1 2.898 0.003 4 1 . . . . 186 LYS HE3 . 17202 1 2047 . 1 1 186 186 LYS C C 13 179.185 0.050 1 1 . . . . 186 LYS C . 17202 1 2048 . 1 1 186 186 LYS CA C 13 59.810 0.001 2 1 . . . . 186 LYS CA . 17202 1 2049 . 1 1 186 186 LYS CB C 13 31.435 0.050 1 1 . . . . 186 LYS CB . 17202 1 2050 . 1 1 186 186 LYS CG C 13 25.352 0.050 1 1 . . . . 186 LYS CG . 17202 1 2051 . 1 1 186 186 LYS CD C 13 29.106 0.050 1 1 . . . . 186 LYS CD . 17202 1 2052 . 1 1 186 186 LYS CE C 13 41.853 0.050 1 1 . . . . 186 LYS CE . 17202 1 2053 . 1 1 186 186 LYS N N 15 117.776 0.226 19 1 . . . . 186 LYS N . 17202 1 2054 . 1 1 187 187 THR H H 1 7.515 0.021 26 1 . . . . 187 THR H . 17202 1 2055 . 1 1 187 187 THR HA H 1 3.817 0.007 11 1 . . . . 187 THR HA . 17202 1 2056 . 1 1 187 187 THR HB H 1 4.284 0.010 8 1 . . . . 187 THR HB . 17202 1 2057 . 1 1 187 187 THR HG21 H 1 1.182 0.009 12 1 . . . . 187 THR MG . 17202 1 2058 . 1 1 187 187 THR HG22 H 1 1.182 0.009 12 1 . . . . 187 THR MG . 17202 1 2059 . 1 1 187 187 THR HG23 H 1 1.182 0.009 12 1 . . . . 187 THR MG . 17202 1 2060 . 1 1 187 187 THR C C 13 176.580 0.050 1 1 . . . . 187 THR C . 17202 1 2061 . 1 1 187 187 THR CA C 13 66.336 0.007 2 1 . . . . 187 THR CA . 17202 1 2062 . 1 1 187 187 THR CB C 13 68.623 0.050 1 1 . . . . 187 THR CB . 17202 1 2063 . 1 1 187 187 THR CG2 C 13 22.028 0.050 1 1 . . . . 187 THR CG2 . 17202 1 2064 . 1 1 187 187 THR N N 15 115.394 0.224 21 1 . . . . 187 THR N . 17202 1 2065 . 1 1 188 188 LEU H H 1 7.723 0.022 23 1 . . . . 188 LEU H . 17202 1 2066 . 1 1 188 188 LEU HA H 1 4.014 0.010 12 1 . . . . 188 LEU HA . 17202 1 2067 . 1 1 188 188 LEU HB2 H 1 1.899 0.012 3 2 . . . . 188 LEU HB2 . 17202 1 2068 . 1 1 188 188 LEU HB3 H 1 1.712 0.007 5 2 . . . . 188 LEU HB3 . 17202 1 2069 . 1 1 188 188 LEU HG H 1 1.526 0.006 5 1 . . . . 188 LEU HG . 17202 1 2070 . 1 1 188 188 LEU HD11 H 1 0.860 0.006 3 2 . . . . 188 LEU MD1 . 17202 1 2071 . 1 1 188 188 LEU HD12 H 1 0.860 0.006 3 2 . . . . 188 LEU MD1 . 17202 1 2072 . 1 1 188 188 LEU HD13 H 1 0.860 0.006 3 2 . . . . 188 LEU MD1 . 17202 1 2073 . 1 1 188 188 LEU HD21 H 1 0.798 0.007 11 2 . . . . 188 LEU MD2 . 17202 1 2074 . 1 1 188 188 LEU HD22 H 1 0.798 0.007 11 2 . . . . 188 LEU MD2 . 17202 1 2075 . 1 1 188 188 LEU HD23 H 1 0.798 0.007 11 2 . . . . 188 LEU MD2 . 17202 1 2076 . 1 1 188 188 LEU CA C 13 57.940 0.050 1 1 . . . . 188 LEU CA . 17202 1 2077 . 1 1 188 188 LEU CB C 13 41.645 0.050 1 1 . . . . 188 LEU CB . 17202 1 2078 . 1 1 188 188 LEU N N 15 124.868 0.213 21 1 . . . . 188 LEU N . 17202 1 2079 . 1 1 189 189 LEU H H 1 8.131 0.022 25 1 . . . . 189 LEU H . 17202 1 2080 . 1 1 189 189 LEU HA H 1 3.556 0.009 16 1 . . . . 189 LEU HA . 17202 1 2081 . 1 1 189 189 LEU HB2 H 1 1.092 0.012 7 2 . . . . 189 LEU HB2 . 17202 1 2082 . 1 1 189 189 LEU HB3 H 1 0.714 0.007 5 2 . . . . 189 LEU HB3 . 17202 1 2083 . 1 1 189 189 LEU HG H 1 0.879 0.019 11 1 . . . . 189 LEU HG . 17202 1 2084 . 1 1 189 189 LEU HD11 H 1 0.223 0.010 42 1 . . . . 189 LEU MD1 . 17202 1 2085 . 1 1 189 189 LEU HD12 H 1 0.223 0.010 42 1 . . . . 189 LEU MD1 . 17202 1 2086 . 1 1 189 189 LEU HD13 H 1 0.223 0.010 42 1 . . . . 189 LEU MD1 . 17202 1 2087 . 1 1 189 189 LEU HD21 H 1 0.223 0.010 42 1 . . . . 189 LEU MD2 . 17202 1 2088 . 1 1 189 189 LEU HD22 H 1 0.223 0.010 42 1 . . . . 189 LEU MD2 . 17202 1 2089 . 1 1 189 189 LEU HD23 H 1 0.223 0.010 42 1 . . . . 189 LEU MD2 . 17202 1 2090 . 1 1 189 189 LEU C C 13 178.789 0.050 1 1 . . . . 189 LEU C . 17202 1 2091 . 1 1 189 189 LEU CA C 13 57.491 0.074 2 1 . . . . 189 LEU CA . 17202 1 2092 . 1 1 189 189 LEU CB C 13 41.075 0.131 2 1 . . . . 189 LEU CB . 17202 1 2093 . 1 1 189 189 LEU CG C 13 25.881 0.050 1 1 . . . . 189 LEU CG . 17202 1 2094 . 1 1 189 189 LEU CD1 C 13 24.144 0.050 1 1 . . . . 189 LEU CD1 . 17202 1 2095 . 1 1 189 189 LEU CD2 C 13 24.144 0.050 1 1 . . . . 189 LEU CD2 . 17202 1 2096 . 1 1 189 189 LEU N N 15 120.490 0.250 19 1 . . . . 189 LEU N . 17202 1 2097 . 1 1 190 190 LYS H H 1 7.359 0.022 24 1 . . . . 190 LYS H . 17202 1 2098 . 1 1 190 190 LYS HA H 1 4.005 0.006 9 1 . . . . 190 LYS HA . 17202 1 2099 . 1 1 190 190 LYS HB2 H 1 1.835 0.010 13 1 . . . . 190 LYS HB2 . 17202 1 2100 . 1 1 190 190 LYS HB3 H 1 1.835 0.010 13 1 . . . . 190 LYS HB3 . 17202 1 2101 . 1 1 190 190 LYS HG2 H 1 1.514 0.008 3 1 . . . . 190 LYS HG2 . 17202 1 2102 . 1 1 190 190 LYS HG3 H 1 1.514 0.008 3 1 . . . . 190 LYS HG3 . 17202 1 2103 . 1 1 190 190 LYS HD2 H 1 1.637 0.009 8 1 . . . . 190 LYS HD2 . 17202 1 2104 . 1 1 190 190 LYS HD3 H 1 1.637 0.009 8 1 . . . . 190 LYS HD3 . 17202 1 2105 . 1 1 190 190 LYS HE2 H 1 2.913 0.011 12 1 . . . . 190 LYS HE2 . 17202 1 2106 . 1 1 190 190 LYS HE3 H 1 2.913 0.011 12 1 . . . . 190 LYS HE3 . 17202 1 2107 . 1 1 190 190 LYS C C 13 178.696 0.050 1 1 . . . . 190 LYS C . 17202 1 2108 . 1 1 190 190 LYS CA C 13 58.779 0.032 2 1 . . . . 190 LYS CA . 17202 1 2109 . 1 1 190 190 LYS CB C 13 31.855 0.051 2 1 . . . . 190 LYS CB . 17202 1 2110 . 1 1 190 190 LYS CG C 13 24.997 0.050 1 1 . . . . 190 LYS CG . 17202 1 2111 . 1 1 190 190 LYS CD C 13 28.933 0.050 1 1 . . . . 190 LYS CD . 17202 1 2112 . 1 1 190 190 LYS CE C 13 41.916 0.050 1 1 . . . . 190 LYS CE . 17202 1 2113 . 1 1 190 190 LYS N N 15 117.522 0.225 19 1 . . . . 190 LYS N . 17202 1 2114 . 1 1 191 191 SER H H 1 7.536 0.026 18 1 . . . . 191 SER H . 17202 1 2115 . 1 1 191 191 SER HA H 1 4.335 0.011 6 1 . . . . 191 SER HA . 17202 1 2116 . 1 1 191 191 SER HB2 H 1 3.984 0.004 7 1 . . . . 191 SER HB2 . 17202 1 2117 . 1 1 191 191 SER HB3 H 1 3.984 0.004 7 1 . . . . 191 SER HB3 . 17202 1 2118 . 1 1 191 191 SER C C 13 175.532 0.050 1 1 . . . . 191 SER C . 17202 1 2119 . 1 1 191 191 SER CA C 13 60.355 0.011 2 1 . . . . 191 SER CA . 17202 1 2120 . 1 1 191 191 SER CB C 13 63.479 0.050 1 1 . . . . 191 SER CB . 17202 1 2121 . 1 1 191 191 SER N N 15 113.416 0.266 14 1 . . . . 191 SER N . 17202 1 2122 . 1 1 192 192 LEU H H 1 7.593 0.024 20 1 . . . . 192 LEU H . 17202 1 2123 . 1 1 192 192 LEU HA H 1 4.212 0.004 11 1 . . . . 192 LEU HA . 17202 1 2124 . 1 1 192 192 LEU HB2 H 1 1.748 0.009 9 2 . . . . 192 LEU HB2 . 17202 1 2125 . 1 1 192 192 LEU HB3 H 1 1.595 0.006 8 2 . . . . 192 LEU HB3 . 17202 1 2126 . 1 1 192 192 LEU HG H 1 1.727 0.005 6 1 . . . . 192 LEU HG . 17202 1 2127 . 1 1 192 192 LEU HD11 H 1 0.828 0.006 18 1 . . . . 192 LEU MD1 . 17202 1 2128 . 1 1 192 192 LEU HD12 H 1 0.828 0.006 18 1 . . . . 192 LEU MD1 . 17202 1 2129 . 1 1 192 192 LEU HD13 H 1 0.828 0.006 18 1 . . . . 192 LEU MD1 . 17202 1 2130 . 1 1 192 192 LEU HD21 H 1 0.828 0.006 18 1 . . . . 192 LEU MD2 . 17202 1 2131 . 1 1 192 192 LEU HD22 H 1 0.828 0.006 18 1 . . . . 192 LEU MD2 . 17202 1 2132 . 1 1 192 192 LEU HD23 H 1 0.828 0.006 18 1 . . . . 192 LEU MD2 . 17202 1 2133 . 1 1 192 192 LEU C C 13 178.212 0.050 1 1 . . . . 192 LEU C . 17202 1 2134 . 1 1 192 192 LEU CA C 13 56.666 0.023 2 1 . . . . 192 LEU CA . 17202 1 2135 . 1 1 192 192 LEU CB C 13 42.156 0.089 2 1 . . . . 192 LEU CB . 17202 1 2136 . 1 1 192 192 LEU CG C 13 26.855 0.050 1 1 . . . . 192 LEU CG . 17202 1 2137 . 1 1 192 192 LEU CD1 C 13 24.981 0.050 1 2 . . . . 192 LEU CD1 . 17202 1 2138 . 1 1 192 192 LEU CD2 C 13 23.588 0.050 1 2 . . . . 192 LEU CD2 . 17202 1 2139 . 1 1 192 192 LEU N N 15 122.303 0.268 15 1 . . . . 192 LEU N . 17202 1 2140 . 1 1 193 193 GLU H H 1 7.920 0.025 18 1 . . . . 193 GLU H . 17202 1 2141 . 1 1 193 193 GLU HA H 1 4.035 0.007 6 1 . . . . 193 GLU HA . 17202 1 2142 . 1 1 193 193 GLU HB2 H 1 1.943 0.006 10 1 . . . . 193 GLU HB2 . 17202 1 2143 . 1 1 193 193 GLU HB3 H 1 1.943 0.006 10 1 . . . . 193 GLU HB3 . 17202 1 2144 . 1 1 193 193 GLU HG2 H 1 2.284 0.010 11 1 . . . . 193 GLU HG2 . 17202 1 2145 . 1 1 193 193 GLU HG3 H 1 2.284 0.010 11 1 . . . . 193 GLU HG3 . 17202 1 2146 . 1 1 193 193 GLU C C 13 176.741 0.050 1 1 . . . . 193 GLU C . 17202 1 2147 . 1 1 193 193 GLU CA C 13 57.668 0.060 2 1 . . . . 193 GLU CA . 17202 1 2148 . 1 1 193 193 GLU CB C 13 30.189 0.143 2 1 . . . . 193 GLU CB . 17202 1 2149 . 1 1 193 193 GLU CG C 13 36.203 0.050 1 1 . . . . 193 GLU CG . 17202 1 2150 . 1 1 193 193 GLU N N 15 118.905 0.249 14 1 . . . . 193 GLU N . 17202 1 2151 . 1 1 194 194 HIS H H 1 8.020 0.060 7 1 . . . . 194 HIS H . 17202 1 2152 . 1 1 194 194 HIS HA H 1 4.607 0.042 2 1 . . . . 194 HIS HA . 17202 1 2153 . 1 1 194 194 HIS HB2 H 1 3.118 0.011 8 1 . . . . 194 HIS HB2 . 17202 1 2154 . 1 1 194 194 HIS HB3 H 1 3.118 0.011 8 1 . . . . 194 HIS HB3 . 17202 1 2155 . 1 1 194 194 HIS CA C 13 55.967 0.050 1 1 . . . . 194 HIS CA . 17202 1 2156 . 1 1 194 194 HIS CB C 13 29.327 0.026 2 1 . . . . 194 HIS CB . 17202 1 2157 . 1 1 194 194 HIS N N 15 117.813 0.352 7 1 . . . . 194 HIS N . 17202 1 2158 . 1 1 195 195 HIS H H 1 8.250 0.047 4 1 . . . . 195 HIS H . 17202 1 2159 . 1 1 195 195 HIS C C 13 173.646 0.050 1 1 . . . . 195 HIS C . 17202 1 2160 . 1 1 195 195 HIS N N 15 119.120 0.442 4 1 . . . . 195 HIS N . 17202 1 stop_ save_