data_7103 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7103 _Entry.Title ; 1H, 15N and 13C assignments of the H98S mutant of acireductone dioxygenase from Klebsiella ATCC 8724 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-06 _Entry.Accession_date 2006-05-08 _Entry.Last_release_date 2006-11-14 _Entry.Original_release_date 2006-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tingting Ju . . . 7103 2 Susan Pochapsky . Sondej . 7103 3 Thomas Pochapsky . C. . 7103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 709 7103 '15N chemical shifts' 189 7103 '1H chemical shifts' 1154 7103 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-11-14 2006-05-06 original author . 7103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HJI 'BMRB Entry Tracking System' 7103 . 4313 mutant 7103 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7103 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Model for the solution structure of Fe-ARD' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 TIngting Ju . . . 7103 1 2 Susan Pochapsky . Sondej . 7103 1 3 Thomas Pochapsky . C. . 7103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7103 _Assembly.ID 1 _Assembly.Name 'H98S ARD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7103 1 stop_ 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 'H98S ARD' 1 $H98S . . yes native no no . . . 7103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H98S _Entity.Sf_category entity _Entity.Sf_framecode H98S _Entity.Entry_ID 7103 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'H98S mutant of ARD' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SALTIFSVKDPQNSLWHSTN AEEIQQQLNAKGVRFERWQA DRDLGAAPTAETVIAAYQHA IDKLVAEKGYQSWDVISLRA DNPQKEALREKFLNEHTSGE DEVRFFVEGAGLFCLHIGDE VFQVLCEKNDLISVPAHTPH WFDMGSEPNFTAIRIFDNPE GWIAQFTGDDIASAYPRLA ; _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 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4313 . ARD_monomer . . . . . 100.00 179 99.44 99.44 2.69e-128 . . . . 7103 1 2 no PDB 1ZRR . "Residual Dipolar Coupling Refinement Of Acireductone Dioxygenase From Klebsiella" . . . . . 100.00 179 99.44 99.44 2.69e-128 . . . . 7103 1 3 no PDB 2HJI . "Structural Model For The Fe-Containing Isoform Of Acireductone Dioxygenase" . . . . . 100.00 179 99.44 99.44 2.69e-128 . . . . 7103 1 4 no EMBL CDL21583 . "1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase [Klebsiella pneumoniae IS53]" . . . . . 51.40 92 97.83 98.91 4.22e-60 . . . . 7103 1 5 no GB AAD11793 . "E-2/E-2' protein [Klebsiella oxytoca]" . . . . . 100.00 179 99.44 99.44 2.69e-128 . . . . 7103 1 6 no GB AEX04546 . "acireductone dioxygenase [Klebsiella oxytoca KCTC 1686]" . . . . . 100.00 180 97.77 98.32 2.63e-126 . . . . 7103 1 7 no GB AFN31360 . "1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase [Klebsiella oxytoca E718]" . . . . . 100.00 180 97.21 98.32 6.04e-126 . . . . 7103 1 8 no GB AHW90075 . "acireductone dioxygenase [Klebsiella oxytoca HKOPL1]" . . . . . 100.00 180 97.77 98.32 2.63e-126 . . . . 7103 1 9 no GB AID89020 . "acireductone dioxygenase [Klebsiella oxytoca KONIH1]" . . . . . 100.00 180 97.77 98.32 2.63e-126 . . . . 7103 1 10 no REF WP_004100130 . "acireductone dioxygenase [Klebsiella oxytoca]" . . . . . 100.00 180 97.77 98.88 1.52e-126 . . . . 7103 1 11 no REF WP_004111302 . "MULTISPECIES: acireductone dioxygenase [Klebsiella]" . . . . . 100.00 180 97.21 98.32 1.01e-125 . . . . 7103 1 12 no REF WP_004130392 . "acireductone dioxygenase [Klebsiella oxytoca]" . . . . . 100.00 180 98.88 99.44 1.26e-127 . . . . 7103 1 13 no REF WP_004135399 . "MULTISPECIES: acireductone dioxygenase [Klebsiella]" . . . . . 100.00 180 99.44 99.44 2.49e-128 . . . . 7103 1 14 no REF WP_004848741 . "MULTISPECIES: acireductone dioxygenase [Klebsiella]" . . . . . 100.00 180 98.32 98.88 3.84e-127 . . . . 7103 1 15 no SP Q9ZFE7 . "RecName: Full=Acireductone dioxygenase; AltName: Full=1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase; Short=DHK-MTPene di" . . . . . 100.00 180 99.44 99.44 2.49e-128 . . . . 7103 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 7103 1 2 2 ALA . 7103 1 3 3 LEU . 7103 1 4 4 THR . 7103 1 5 5 ILE . 7103 1 6 6 PHE . 7103 1 7 7 SER . 7103 1 8 8 VAL . 7103 1 9 9 LYS . 7103 1 10 10 ASP . 7103 1 11 11 PRO . 7103 1 12 12 GLN . 7103 1 13 13 ASN . 7103 1 14 14 SER . 7103 1 15 15 LEU . 7103 1 16 16 TRP . 7103 1 17 17 HIS . 7103 1 18 18 SER . 7103 1 19 19 THR . 7103 1 20 20 ASN . 7103 1 21 21 ALA . 7103 1 22 22 GLU . 7103 1 23 23 GLU . 7103 1 24 24 ILE . 7103 1 25 25 GLN . 7103 1 26 26 GLN . 7103 1 27 27 GLN . 7103 1 28 28 LEU . 7103 1 29 29 ASN . 7103 1 30 30 ALA . 7103 1 31 31 LYS . 7103 1 32 32 GLY . 7103 1 33 33 VAL . 7103 1 34 34 ARG . 7103 1 35 35 PHE . 7103 1 36 36 GLU . 7103 1 37 37 ARG . 7103 1 38 38 TRP . 7103 1 39 39 GLN . 7103 1 40 40 ALA . 7103 1 41 41 ASP . 7103 1 42 42 ARG . 7103 1 43 43 ASP . 7103 1 44 44 LEU . 7103 1 45 45 GLY . 7103 1 46 46 ALA . 7103 1 47 47 ALA . 7103 1 48 48 PRO . 7103 1 49 49 THR . 7103 1 50 50 ALA . 7103 1 51 51 GLU . 7103 1 52 52 THR . 7103 1 53 53 VAL . 7103 1 54 54 ILE . 7103 1 55 55 ALA . 7103 1 56 56 ALA . 7103 1 57 57 TYR . 7103 1 58 58 GLN . 7103 1 59 59 HIS . 7103 1 60 60 ALA . 7103 1 61 61 ILE . 7103 1 62 62 ASP . 7103 1 63 63 LYS . 7103 1 64 64 LEU . 7103 1 65 65 VAL . 7103 1 66 66 ALA . 7103 1 67 67 GLU . 7103 1 68 68 LYS . 7103 1 69 69 GLY . 7103 1 70 70 TYR . 7103 1 71 71 GLN . 7103 1 72 72 SER . 7103 1 73 73 TRP . 7103 1 74 74 ASP . 7103 1 75 75 VAL . 7103 1 76 76 ILE . 7103 1 77 77 SER . 7103 1 78 78 LEU . 7103 1 79 79 ARG . 7103 1 80 80 ALA . 7103 1 81 81 ASP . 7103 1 82 82 ASN . 7103 1 83 83 PRO . 7103 1 84 84 GLN . 7103 1 85 85 LYS . 7103 1 86 86 GLU . 7103 1 87 87 ALA . 7103 1 88 88 LEU . 7103 1 89 89 ARG . 7103 1 90 90 GLU . 7103 1 91 91 LYS . 7103 1 92 92 PHE . 7103 1 93 93 LEU . 7103 1 94 94 ASN . 7103 1 95 95 GLU . 7103 1 96 96 HIS . 7103 1 97 97 THR . 7103 1 98 98 SER . 7103 1 99 99 GLY . 7103 1 100 100 GLU . 7103 1 101 101 ASP . 7103 1 102 102 GLU . 7103 1 103 103 VAL . 7103 1 104 104 ARG . 7103 1 105 105 PHE . 7103 1 106 106 PHE . 7103 1 107 107 VAL . 7103 1 108 108 GLU . 7103 1 109 109 GLY . 7103 1 110 110 ALA . 7103 1 111 111 GLY . 7103 1 112 112 LEU . 7103 1 113 113 PHE . 7103 1 114 114 CYS . 7103 1 115 115 LEU . 7103 1 116 116 HIS . 7103 1 117 117 ILE . 7103 1 118 118 GLY . 7103 1 119 119 ASP . 7103 1 120 120 GLU . 7103 1 121 121 VAL . 7103 1 122 122 PHE . 7103 1 123 123 GLN . 7103 1 124 124 VAL . 7103 1 125 125 LEU . 7103 1 126 126 CYS . 7103 1 127 127 GLU . 7103 1 128 128 LYS . 7103 1 129 129 ASN . 7103 1 130 130 ASP . 7103 1 131 131 LEU . 7103 1 132 132 ILE . 7103 1 133 133 SER . 7103 1 134 134 VAL . 7103 1 135 135 PRO . 7103 1 136 136 ALA . 7103 1 137 137 HIS . 7103 1 138 138 THR . 7103 1 139 139 PRO . 7103 1 140 140 HIS . 7103 1 141 141 TRP . 7103 1 142 142 PHE . 7103 1 143 143 ASP . 7103 1 144 144 MET . 7103 1 145 145 GLY . 7103 1 146 146 SER . 7103 1 147 147 GLU . 7103 1 148 148 PRO . 7103 1 149 149 ASN . 7103 1 150 150 PHE . 7103 1 151 151 THR . 7103 1 152 152 ALA . 7103 1 153 153 ILE . 7103 1 154 154 ARG . 7103 1 155 155 ILE . 7103 1 156 156 PHE . 7103 1 157 157 ASP . 7103 1 158 158 ASN . 7103 1 159 159 PRO . 7103 1 160 160 GLU . 7103 1 161 161 GLY . 7103 1 162 162 TRP . 7103 1 163 163 ILE . 7103 1 164 164 ALA . 7103 1 165 165 GLN . 7103 1 166 166 PHE . 7103 1 167 167 THR . 7103 1 168 168 GLY . 7103 1 169 169 ASP . 7103 1 170 170 ASP . 7103 1 171 171 ILE . 7103 1 172 172 ALA . 7103 1 173 173 SER . 7103 1 174 174 ALA . 7103 1 175 175 TYR . 7103 1 176 176 PRO . 7103 1 177 177 ARG . 7103 1 178 178 LEU . 7103 1 179 179 ALA . 7103 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 . SER 1 1 7103 1 . ALA 2 2 7103 1 . LEU 3 3 7103 1 . THR 4 4 7103 1 . ILE 5 5 7103 1 . PHE 6 6 7103 1 . SER 7 7 7103 1 . VAL 8 8 7103 1 . LYS 9 9 7103 1 . ASP 10 10 7103 1 . PRO 11 11 7103 1 . GLN 12 12 7103 1 . ASN 13 13 7103 1 . SER 14 14 7103 1 . LEU 15 15 7103 1 . TRP 16 16 7103 1 . HIS 17 17 7103 1 . SER 18 18 7103 1 . THR 19 19 7103 1 . ASN 20 20 7103 1 . ALA 21 21 7103 1 . GLU 22 22 7103 1 . GLU 23 23 7103 1 . ILE 24 24 7103 1 . GLN 25 25 7103 1 . GLN 26 26 7103 1 . GLN 27 27 7103 1 . LEU 28 28 7103 1 . ASN 29 29 7103 1 . ALA 30 30 7103 1 . LYS 31 31 7103 1 . GLY 32 32 7103 1 . VAL 33 33 7103 1 . ARG 34 34 7103 1 . PHE 35 35 7103 1 . GLU 36 36 7103 1 . ARG 37 37 7103 1 . TRP 38 38 7103 1 . GLN 39 39 7103 1 . ALA 40 40 7103 1 . ASP 41 41 7103 1 . ARG 42 42 7103 1 . ASP 43 43 7103 1 . LEU 44 44 7103 1 . GLY 45 45 7103 1 . ALA 46 46 7103 1 . ALA 47 47 7103 1 . PRO 48 48 7103 1 . THR 49 49 7103 1 . ALA 50 50 7103 1 . GLU 51 51 7103 1 . THR 52 52 7103 1 . VAL 53 53 7103 1 . ILE 54 54 7103 1 . ALA 55 55 7103 1 . ALA 56 56 7103 1 . TYR 57 57 7103 1 . GLN 58 58 7103 1 . HIS 59 59 7103 1 . ALA 60 60 7103 1 . ILE 61 61 7103 1 . ASP 62 62 7103 1 . LYS 63 63 7103 1 . LEU 64 64 7103 1 . VAL 65 65 7103 1 . ALA 66 66 7103 1 . GLU 67 67 7103 1 . LYS 68 68 7103 1 . GLY 69 69 7103 1 . TYR 70 70 7103 1 . GLN 71 71 7103 1 . SER 72 72 7103 1 . TRP 73 73 7103 1 . ASP 74 74 7103 1 . VAL 75 75 7103 1 . ILE 76 76 7103 1 . SER 77 77 7103 1 . LEU 78 78 7103 1 . ARG 79 79 7103 1 . ALA 80 80 7103 1 . ASP 81 81 7103 1 . ASN 82 82 7103 1 . PRO 83 83 7103 1 . GLN 84 84 7103 1 . LYS 85 85 7103 1 . GLU 86 86 7103 1 . ALA 87 87 7103 1 . LEU 88 88 7103 1 . ARG 89 89 7103 1 . GLU 90 90 7103 1 . LYS 91 91 7103 1 . PHE 92 92 7103 1 . LEU 93 93 7103 1 . ASN 94 94 7103 1 . GLU 95 95 7103 1 . HIS 96 96 7103 1 . THR 97 97 7103 1 . SER 98 98 7103 1 . GLY 99 99 7103 1 . GLU 100 100 7103 1 . ASP 101 101 7103 1 . GLU 102 102 7103 1 . VAL 103 103 7103 1 . ARG 104 104 7103 1 . PHE 105 105 7103 1 . PHE 106 106 7103 1 . VAL 107 107 7103 1 . GLU 108 108 7103 1 . GLY 109 109 7103 1 . ALA 110 110 7103 1 . GLY 111 111 7103 1 . LEU 112 112 7103 1 . PHE 113 113 7103 1 . CYS 114 114 7103 1 . LEU 115 115 7103 1 . HIS 116 116 7103 1 . ILE 117 117 7103 1 . GLY 118 118 7103 1 . ASP 119 119 7103 1 . GLU 120 120 7103 1 . VAL 121 121 7103 1 . PHE 122 122 7103 1 . GLN 123 123 7103 1 . VAL 124 124 7103 1 . LEU 125 125 7103 1 . CYS 126 126 7103 1 . GLU 127 127 7103 1 . LYS 128 128 7103 1 . ASN 129 129 7103 1 . ASP 130 130 7103 1 . LEU 131 131 7103 1 . ILE 132 132 7103 1 . SER 133 133 7103 1 . VAL 134 134 7103 1 . PRO 135 135 7103 1 . ALA 136 136 7103 1 . HIS 137 137 7103 1 . THR 138 138 7103 1 . PRO 139 139 7103 1 . HIS 140 140 7103 1 . TRP 141 141 7103 1 . PHE 142 142 7103 1 . ASP 143 143 7103 1 . MET 144 144 7103 1 . GLY 145 145 7103 1 . SER 146 146 7103 1 . GLU 147 147 7103 1 . PRO 148 148 7103 1 . ASN 149 149 7103 1 . PHE 150 150 7103 1 . THR 151 151 7103 1 . ALA 152 152 7103 1 . ILE 153 153 7103 1 . ARG 154 154 7103 1 . ILE 155 155 7103 1 . PHE 156 156 7103 1 . ASP 157 157 7103 1 . ASN 158 158 7103 1 . PRO 159 159 7103 1 . GLU 160 160 7103 1 . GLY 161 161 7103 1 . TRP 162 162 7103 1 . ILE 163 163 7103 1 . ALA 164 164 7103 1 . GLN 165 165 7103 1 . PHE 166 166 7103 1 . THR 167 167 7103 1 . GLY 168 168 7103 1 . ASP 169 169 7103 1 . ASP 170 170 7103 1 . ILE 171 171 7103 1 . ALA 172 172 7103 1 . SER 173 173 7103 1 . ALA 174 174 7103 1 . TYR 175 175 7103 1 . PRO 176 176 7103 1 . ARG 177 177 7103 1 . LEU 178 178 7103 1 . ALA 179 179 7103 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 7103 _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 $H98S . 571 . no . 'Klebsiella oxytoca' . . Eubacteria . Klebsiella oxytoca . . . . . . . . . . . . . . . . . . . . . 7103 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 7103 _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 $H98S . 'recombinant technology' . 'E. coli' 'pET- BL21-DE3 overexpression' . . . . . . . . . . . . . . . . . . . . . . . . . . 7103 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7103 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 millimolar uniformly 13C, 15N labeled in pH 7.4 KPi buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'H98S ARD' '[U-13C; U-15N]' . . 1 $H98S . . 1 . . mM . . . . 7103 1 2 'KPi buffer' . . . . . . . 50 . . mM . . . . 7103 1 3 H2O . . . . . . . 90 . . % . . . . 7103 1 4 D2O . . . . . . . 10 . . % . . . . 7103 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7103 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 7.4 in 50 mM KPi buffer, 90/10 H2O/D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.1 pH 7103 1 temperature 298 0.1 K 7103 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7103 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7103 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 2 '1H,15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 3 '1H,13C-edited NOESY (aliphatic)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 4 '1H,13C edited NOESY (aromatic)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 5 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 6 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 7 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 8 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 9 '1H13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 10 'HCCH TOCSY (aliphatic)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 11 'HCCH TOCSY (aromatic)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7103 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7103 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7103 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7103 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7103 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7103 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H15N HSQC' 1 $sample_1 isotropic 7103 1 2 '1H,15N-edited NOESY' 1 $sample_1 isotropic 7103 1 3 '1H,13C-edited NOESY (aliphatic)' 1 $sample_1 isotropic 7103 1 4 '1H,13C edited NOESY (aromatic)' 1 $sample_1 isotropic 7103 1 5 HNCA 1 $sample_1 isotropic 7103 1 6 HN(CO)CA 1 $sample_1 isotropic 7103 1 7 HNCACB 1 $sample_1 isotropic 7103 1 8 CBCA(CO)NH 1 $sample_1 isotropic 7103 1 9 '1H13C HSQC' 1 $sample_1 isotropic 7103 1 10 'HCCH TOCSY (aliphatic)' 1 $sample_1 isotropic 7103 1 11 'HCCH TOCSY (aromatic)' 1 $sample_1 isotropic 7103 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 SER HA H 1 4.44 0.005 . 1 . . . . 1 SER HA . 7103 1 2 . 1 1 1 1 SER HB2 H 1 3.85 0.005 . 2 . . . . 1 SER HB1 . 7103 1 3 . 1 1 1 1 SER HB3 H 1 3.88 0.005 . 2 . . . . 1 SER HB2 . 7103 1 4 . 1 1 1 1 SER C C 13 168.6 0.2 . 1 . . . . 1 SER C . 7103 1 5 . 1 1 1 1 SER CA C 13 58.4 0.2 . 1 . . . . 1 SER CA . 7103 1 6 . 1 1 1 1 SER CB C 13 63.8 0.2 . 1 . . . . 1 SER CB . 7103 1 7 . 1 1 2 2 ALA H H 1 8.23 0.005 . 1 . . . . 2 ALA H . 7103 1 8 . 1 1 2 2 ALA HA H 1 4.87 0.005 . 1 . . . . 2 ALA HA . 7103 1 9 . 1 1 2 2 ALA HB1 H 1 1.37 0.005 . 1 . . . . 2 ALA HB . 7103 1 10 . 1 1 2 2 ALA HB2 H 1 1.37 0.005 . 1 . . . . 2 ALA HB . 7103 1 11 . 1 1 2 2 ALA HB3 H 1 1.37 0.005 . 1 . . . . 2 ALA HB . 7103 1 12 . 1 1 2 2 ALA C C 13 174.5 0.2 . 1 . . . . 2 ALA C . 7103 1 13 . 1 1 2 2 ALA CA C 13 51.7 0.2 . 1 . . . . 2 ALA CA . 7103 1 14 . 1 1 2 2 ALA CB C 13 23.3 0.2 . 1 . . . . 2 ALA CB . 7103 1 15 . 1 1 2 2 ALA N N 15 120.2 0.2 . 1 . . . . 2 ALA N . 7103 1 16 . 1 1 3 3 LEU H H 1 8.41 0.005 . 1 . . . . 3 LEU H . 7103 1 17 . 1 1 3 3 LEU HA H 1 5.33 0.005 . 1 . . . . 3 LEU HA . 7103 1 18 . 1 1 3 3 LEU HB2 H 1 1.29 0.005 . 2 . . . . 3 LEU HB2 . 7103 1 19 . 1 1 3 3 LEU HB3 H 1 1.78 0.005 . 2 . . . . 3 LEU HB3 . 7103 1 20 . 1 1 3 3 LEU HG H 1 1.45 0.005 . 1 . . . . 3 LEU HG . 7103 1 21 . 1 1 3 3 LEU HD11 H 1 0.94 0.005 . 1 . . . . 3 LEU HD1 . 7103 1 22 . 1 1 3 3 LEU HD12 H 1 0.94 0.005 . 1 . . . . 3 LEU HD1 . 7103 1 23 . 1 1 3 3 LEU HD13 H 1 0.94 0.005 . 1 . . . . 3 LEU HD1 . 7103 1 24 . 1 1 3 3 LEU HD21 H 1 0.8 0.005 . 1 . . . . 3 LEU HD2 . 7103 1 25 . 1 1 3 3 LEU HD22 H 1 0.8 0.005 . 1 . . . . 3 LEU HD2 . 7103 1 26 . 1 1 3 3 LEU HD23 H 1 0.8 0.005 . 1 . . . . 3 LEU HD2 . 7103 1 27 . 1 1 3 3 LEU C C 13 173.4 0.2 . 1 . . . . 3 LEU C . 7103 1 28 . 1 1 3 3 LEU CA C 13 54.1 0.2 . 1 . . . . 3 LEU CA . 7103 1 29 . 1 1 3 3 LEU CB C 13 47.2 0.2 . 1 . . . . 3 LEU CB . 7103 1 30 . 1 1 3 3 LEU CG C 13 28.7 0.2 . 1 . . . . 3 LEU CG . 7103 1 31 . 1 1 3 3 LEU CD1 C 13 24.7 0.2 . 2 . . . . 3 LEU CD1 . 7103 1 32 . 1 1 3 3 LEU CD2 C 13 27.5 0.2 . 2 . . . . 3 LEU CD2 . 7103 1 33 . 1 1 3 3 LEU N N 15 119.9 0.2 . 1 . . . . 3 LEU N . 7103 1 34 . 1 1 4 4 THR H H 1 8.72 0.005 . 1 . . . . 4 THR H . 7103 1 35 . 1 1 4 4 THR HA H 1 5.39 0.005 . 1 . . . . 4 THR HA . 7103 1 36 . 1 1 4 4 THR HB H 1 4.00 0.005 . 1 . . . . 4 THR HB . 7103 1 37 . 1 1 4 4 THR HG21 H 1 1.1 0.005 . 1 . . . . 4 THR HG2 . 7103 1 38 . 1 1 4 4 THR HG22 H 1 1.1 0.005 . 1 . . . . 4 THR HG2 . 7103 1 39 . 1 1 4 4 THR HG23 H 1 1.1 0.005 . 1 . . . . 4 THR HG2 . 7103 1 40 . 1 1 4 4 THR C C 13 172.4 0.2 . 1 . . . . 4 THR C . 7103 1 41 . 1 1 4 4 THR CA C 13 61.6 0.2 . 1 . . . . 4 THR CA . 7103 1 42 . 1 1 4 4 THR CB C 13 70.8 0.2 . 1 . . . . 4 THR CB . 7103 1 43 . 1 1 4 4 THR CG2 C 13 24.2 0.2 . 1 . . . . 4 THR CG2 . 7103 1 44 . 1 1 4 4 THR N N 15 123.3 0.2 . 1 . . . . 4 THR N . 7103 1 45 . 1 1 5 5 ILE H H 1 8.75 0.005 . 1 . . . . 5 ILE H . 7103 1 46 . 1 1 5 5 ILE HA H 1 4.77 0.005 . 1 . . . . 5 ILE HA . 7103 1 47 . 1 1 5 5 ILE HB H 1 1.37 0.005 . 1 . . . . 5 ILE HB . 7103 1 48 . 1 1 5 5 ILE HG12 H 1 1.28 0.005 . 2 . . . . 5 ILE HG12 . 7103 1 49 . 1 1 5 5 ILE HG13 H 1 -0.15 0.005 . 2 . . . . 5 ILE HG13 . 7103 1 50 . 1 1 5 5 ILE HG21 H 1 0.31 0.005 . 1 . . . . 5 ILE HG2 . 7103 1 51 . 1 1 5 5 ILE HG22 H 1 0.31 0.005 . 1 . . . . 5 ILE HG2 . 7103 1 52 . 1 1 5 5 ILE HG23 H 1 0.31 0.005 . 1 . . . . 5 ILE HG2 . 7103 1 53 . 1 1 5 5 ILE HD11 H 1 0.09 0.005 . 1 . . . . 5 ILE HD1 . 7103 1 54 . 1 1 5 5 ILE HD12 H 1 0.09 0.005 . 1 . . . . 5 ILE HD1 . 7103 1 55 . 1 1 5 5 ILE HD13 H 1 0.09 0.005 . 1 . . . . 5 ILE HD1 . 7103 1 56 . 1 1 5 5 ILE C C 13 174.4 0.2 . 1 . . . . 5 ILE C . 7103 1 57 . 1 1 5 5 ILE CA C 13 60.5 0.2 . 1 . . . . 5 ILE CA . 7103 1 58 . 1 1 5 5 ILE CB C 13 40.5 0.2 . 1 . . . . 5 ILE CB . 7103 1 59 . 1 1 5 5 ILE CG2 C 13 17.0 0.2 . 1 . . . . 5 ILE CG2 . 7103 1 60 . 1 1 5 5 ILE CD1 C 13 14.2 0.2 . 1 . . . . 5 ILE CD1 . 7103 1 61 . 1 1 5 5 ILE N N 15 126.7 0.2 . 1 . . . . 5 ILE N . 7103 1 62 . 1 1 6 6 PHE H H 1 8.89 0.005 . 1 . . . . 6 PHE H . 7103 1 63 . 1 1 6 6 PHE HA H 1 4.83 0.005 . 1 . . . . 6 PHE HA . 7103 1 64 . 1 1 6 6 PHE HB2 H 1 3.10 0.005 . 2 . . . . 6 PHE HB2 . 7103 1 65 . 1 1 6 6 PHE HB3 H 1 2.70 0.005 . 2 . . . . 6 PHE HB3 . 7103 1 66 . 1 1 6 6 PHE HD1 H 1 6.97 0.005 . 1 . . . . 6 PHE HD1 . 7103 1 67 . 1 1 6 6 PHE HD2 H 1 6.97 0.005 . 1 . . . . 6 PHE HD2 . 7103 1 68 . 1 1 6 6 PHE HE1 H 1 7.17 0.005 . 1 . . . . 6 PHE HE1 . 7103 1 69 . 1 1 6 6 PHE HE2 H 1 7.17 0.005 . 1 . . . . 6 PHE HE2 . 7103 1 70 . 1 1 6 6 PHE C C 13 175.5 0.2 . 1 . . . . 6 PHE C . 7103 1 71 . 1 1 6 6 PHE CA C 13 56.4 0.2 . 1 . . . . 6 PHE CA . 7103 1 72 . 1 1 6 6 PHE CB C 13 42.6 0.2 . 1 . . . . 6 PHE CB . 7103 1 73 . 1 1 6 6 PHE CD1 C 13 131.7 0.2 . 1 . . . . 6 PHE CD1 . 7103 1 74 . 1 1 6 6 PHE CD2 C 13 131.7 0.2 . 1 . . . . 6 PHE CD2 . 7103 1 75 . 1 1 6 6 PHE CE1 C 13 129.8 0.2 . 1 . . . . 6 PHE CE1 . 7103 1 76 . 1 1 6 6 PHE CE2 C 13 129.8 0.2 . 1 . . . . 6 PHE CE2 . 7103 1 77 . 1 1 6 6 PHE N N 15 124.0 0.2 . 1 . . . . 6 PHE N . 7103 1 78 . 1 1 7 7 SER H H 1 9.65 0.005 . 1 . . . . 7 SER H . 7103 1 79 . 1 1 7 7 SER HA H 1 4.84 0.005 . 1 . . . . 7 SER HA . 7103 1 80 . 1 1 7 7 SER HB2 H 1 4.20 0.005 . 2 . . . . 7 SER HB2 . 7103 1 81 . 1 1 7 7 SER HB3 H 1 3.87 0.005 . 2 . . . . 7 SER HB3 . 7103 1 82 . 1 1 7 7 SER C C 13 177.9 0.2 . 1 . . . . 7 SER C . 7103 1 83 . 1 1 7 7 SER CA C 13 57.7 0.2 . 1 . . . . 7 SER CA . 7103 1 84 . 1 1 7 7 SER CB C 13 63.6 0.2 . 1 . . . . 7 SER CB . 7103 1 85 . 1 1 7 7 SER N N 15 116.0 0.2 . 1 . . . . 7 SER N . 7103 1 86 . 1 1 8 8 VAL H H 1 8.45 0.005 . 1 . . . . 8 VAL H . 7103 1 87 . 1 1 8 8 VAL HA H 1 3.83 0.005 . 1 . . . . 8 VAL HA . 7103 1 88 . 1 1 8 8 VAL HB H 1 1.96 0.005 . 1 . . . . 8 VAL HB . 7103 1 89 . 1 1 8 8 VAL HG11 H 1 0.79 0.005 . 2 . . . . 8 VAL HG1 . 7103 1 90 . 1 1 8 8 VAL HG12 H 1 0.79 0.005 . 2 . . . . 8 VAL HG1 . 7103 1 91 . 1 1 8 8 VAL HG13 H 1 0.79 0.005 . 2 . . . . 8 VAL HG1 . 7103 1 92 . 1 1 8 8 VAL HG21 H 1 0.83 0.005 . 2 . . . . 8 VAL HG2 . 7103 1 93 . 1 1 8 8 VAL HG22 H 1 0.83 0.005 . 2 . . . . 8 VAL HG2 . 7103 1 94 . 1 1 8 8 VAL HG23 H 1 0.83 0.005 . 2 . . . . 8 VAL HG2 . 7103 1 95 . 1 1 8 8 VAL C C 13 176.5 0.2 . 1 . . . . 8 VAL C . 7103 1 96 . 1 1 8 8 VAL CA C 13 64.8 0.2 . 1 . . . . 8 VAL CA . 7103 1 97 . 1 1 8 8 VAL CB C 13 31.8 0.2 . 1 . . . . 8 VAL CB . 7103 1 98 . 1 1 8 8 VAL CG1 C 13 20.7 0.2 . 2 . . . . 8 VAL CG1 . 7103 1 99 . 1 1 8 8 VAL CG2 C 13 20.1 0.2 . 2 . . . . 8 VAL CG2 . 7103 1 100 . 1 1 8 8 VAL N N 15 125.4 0.2 . 1 . . . . 8 VAL N . 7103 1 101 . 1 1 9 9 LYS H H 1 7.94 0.005 . 1 . . . . 9 LYS H . 7103 1 102 . 1 1 9 9 LYS HA H 1 4.17 0.005 . 1 . . . . 9 LYS HA . 7103 1 103 . 1 1 9 9 LYS HB2 H 1 1.93 0.005 . 2 . . . . 9 LYS HB2 . 7103 1 104 . 1 1 9 9 LYS HB3 H 1 1.72 0.005 . 2 . . . . 9 LYS HB3 . 7103 1 105 . 1 1 9 9 LYS HG2 H 1 1.44 0.005 . 2 . . . . 9 LYS HG2 . 7103 1 106 . 1 1 9 9 LYS HD2 H 1 1.71 0.005 . 2 . . . . 9 LYS HD2 . 7103 1 107 . 1 1 9 9 LYS HD3 H 1 1.64 0.005 . 2 . . . . 9 LYS HD3 . 7103 1 108 . 1 1 9 9 LYS C C 13 176.6 0.2 . 1 . . . . 9 LYS C . 7103 1 109 . 1 1 9 9 LYS CA C 13 57.0 0.2 . 1 . . . . 9 LYS CA . 7103 1 110 . 1 1 9 9 LYS CB C 13 32.7 0.2 . 1 . . . . 9 LYS CB . 7103 1 111 . 1 1 9 9 LYS CG C 13 25.2 0.2 . 1 . . . . 9 LYS CG . 7103 1 112 . 1 1 9 9 LYS CD C 13 28.8 0.2 . 1 . . . . 9 LYS CD . 7103 1 113 . 1 1 9 9 LYS N N 15 116.9 0.2 . 1 . . . . 9 LYS N . 7103 1 114 . 1 1 10 10 ASP H H 1 7.36 0.005 . 1 . . . . 10 ASP H . 7103 1 115 . 1 1 10 10 ASP HA H 1 5.03 0.005 . 1 . . . . 10 ASP HA . 7103 1 116 . 1 1 10 10 ASP HB2 H 1 2.98 0.005 . 2 . . . . 10 ASP HB2 . 7103 1 117 . 1 1 10 10 ASP HB3 H 1 2.57 0.005 . 2 . . . . 10 ASP HB3 . 7103 1 118 . 1 1 10 10 ASP CA C 13 52.0 0.2 . 1 . . . . 10 ASP CA . 7103 1 119 . 1 1 10 10 ASP CB C 13 41.4 0.2 . 1 . . . . 10 ASP CB . 7103 1 120 . 1 1 10 10 ASP N N 15 114.5 0.2 . 1 . . . . 10 ASP N . 7103 1 121 . 1 1 11 11 PRO HA H 1 4.32 0.005 . 1 . . . . 11 PRO HA . 7103 1 122 . 1 1 11 11 PRO HB2 H 1 2.23 0.005 . 2 . . . . 11 PRO HB2 . 7103 1 123 . 1 1 11 11 PRO HB3 H 1 1.95 0.005 . 2 . . . . 11 PRO HB3 . 7103 1 124 . 1 1 11 11 PRO HG2 H 1 2.06 0.005 . 2 . . . . 11 PRO HG2 . 7103 1 125 . 1 1 11 11 PRO HG3 H 1 1.82 0.005 . 2 . . . . 11 PRO HG3 . 7103 1 126 . 1 1 11 11 PRO HD2 H 1 3.79 0.005 . 2 . . . . 11 PRO HD2 . 7103 1 127 . 1 1 11 11 PRO HD3 H 1 3.46 0.005 . 2 . . . . 11 PRO HD3 . 7103 1 128 . 1 1 11 11 PRO C C 13 176 0.2 . 1 . . . . 11 PRO C . 7103 1 129 . 1 1 11 11 PRO CA C 13 63.9 0.2 . 1 . . . . 11 PRO CA . 7103 1 130 . 1 1 11 11 PRO CB C 13 32.1 0.2 . 1 . . . . 11 PRO CB . 7103 1 131 . 1 1 11 11 PRO CD C 13 50.1 0.2 . 1 . . . . 11 PRO CD . 7103 1 132 . 1 1 12 12 GLN H H 1 8.09 0.005 . 1 . . . . 12 GLN H . 7103 1 133 . 1 1 12 12 GLN HA H 1 4.25 0.005 . 1 . . . . 12 GLN HA . 7103 1 134 . 1 1 12 12 GLN HB2 H 1 2.11 0.005 . 2 . . . . 12 GLN HB2 . 7103 1 135 . 1 1 12 12 GLN HB3 H 1 2.01 0.005 . 2 . . . . 12 GLN HB3 . 7103 1 136 . 1 1 12 12 GLN HG2 H 1 2.27 0.005 . 2 . . . . 12 GLN HG2 . 7103 1 137 . 1 1 12 12 GLN C C 13 176.1 0.2 . 1 . . . . 12 GLN C . 7103 1 138 . 1 1 12 12 GLN CA C 13 56.9 0.2 . 1 . . . . 12 GLN CA . 7103 1 139 . 1 1 12 12 GLN CB C 13 29.8 0.2 . 1 . . . . 12 GLN CB . 7103 1 140 . 1 1 12 12 GLN CG C 13 34.4 0.2 . 1 . . . . 12 GLN CG . 7103 1 141 . 1 1 12 12 GLN N N 15 115.1 0.2 . 1 . . . . 12 GLN N . 7103 1 142 . 1 1 13 13 ASN H H 1 7.24 0.005 . 1 . . . . 13 ASN H . 7103 1 143 . 1 1 13 13 ASN HA H 1 5.06 0.005 . 1 . . . . 13 ASN HA . 7103 1 144 . 1 1 13 13 ASN HB2 H 1 2.74 0.005 . 2 . . . . 13 ASN HB2 . 7103 1 145 . 1 1 13 13 ASN HB3 H 1 2.62 0.005 . 2 . . . . 13 ASN HB3 . 7103 1 146 . 1 1 13 13 ASN HD21 H 1 8.58 0.005 . 2 . . . . 13 ASN HD21 . 7103 1 147 . 1 1 13 13 ASN HD22 H 1 6.91 0.005 . 2 . . . . 13 ASN HD22 . 7103 1 148 . 1 1 13 13 ASN C C 13 173.5 0.2 . 1 . . . . 13 ASN C . 7103 1 149 . 1 1 13 13 ASN CA C 13 52.4 0.2 . 1 . . . . 13 ASN CA . 7103 1 150 . 1 1 13 13 ASN CB C 13 40.2 0.2 . 1 . . . . 13 ASN CB . 7103 1 151 . 1 1 13 13 ASN N N 15 117.3 0.2 . 1 . . . . 13 ASN N . 7103 1 152 . 1 1 13 13 ASN ND2 N 15 117.6 0.2 . 1 . . . . 13 ASN ND2 . 7103 1 153 . 1 1 14 14 SER H H 1 8.61 0.005 . 1 . . . . 14 SER H . 7103 1 154 . 1 1 14 14 SER HA H 1 3.62 0.005 . 1 . . . . 14 SER HA . 7103 1 155 . 1 1 14 14 SER HB2 H 1 3.43 0.005 . 2 . . . . 14 SER HB2 . 7103 1 156 . 1 1 14 14 SER HB3 H 1 3.28 0.005 . 2 . . . . 14 SER HB3 . 7103 1 157 . 1 1 14 14 SER C C 13 174.4 0.2 . 1 . . . . 14 SER C . 7103 1 158 . 1 1 14 14 SER CA C 13 58.5 0.2 . 1 . . . . 14 SER CA . 7103 1 159 . 1 1 14 14 SER CB C 13 63.5 0.2 . 1 . . . . 14 SER CB . 7103 1 160 . 1 1 14 14 SER N N 15 119.9 0.2 . 1 . . . . 14 SER N . 7103 1 161 . 1 1 15 15 LEU H H 1 8.89 0.005 . 1 . . . . 15 LEU H . 7103 1 162 . 1 1 15 15 LEU HA H 1 4.39 0.005 . 1 . . . . 15 LEU HA . 7103 1 163 . 1 1 15 15 LEU HB2 H 1 1.53 0.005 . 2 . . . . 15 LEU HB2 . 7103 1 164 . 1 1 15 15 LEU HB3 H 1 1.46 0.005 . 2 . . . . 15 LEU HB3 . 7103 1 165 . 1 1 15 15 LEU HG H 1 1.66 0.005 . 1 . . . . 15 LEU HG . 7103 1 166 . 1 1 15 15 LEU HD11 H 1 0.86 0.005 . 2 . . . . 15 LEU HD1 . 7103 1 167 . 1 1 15 15 LEU HD12 H 1 0.86 0.005 . 2 . . . . 15 LEU HD1 . 7103 1 168 . 1 1 15 15 LEU HD13 H 1 0.86 0.005 . 2 . . . . 15 LEU HD1 . 7103 1 169 . 1 1 15 15 LEU HD21 H 1 0.89 0.005 . 2 . . . . 15 LEU HD2 . 7103 1 170 . 1 1 15 15 LEU HD22 H 1 0.89 0.005 . 2 . . . . 15 LEU HD2 . 7103 1 171 . 1 1 15 15 LEU HD23 H 1 0.89 0.005 . 2 . . . . 15 LEU HD2 . 7103 1 172 . 1 1 15 15 LEU C C 13 177.5 0.2 . 1 . . . . 15 LEU C . 7103 1 173 . 1 1 15 15 LEU CA C 13 55.5 0.2 . 1 . . . . 15 LEU CA . 7103 1 174 . 1 1 15 15 LEU CB C 13 43.3 0.2 . 1 . . . . 15 LEU CB . 7103 1 175 . 1 1 15 15 LEU CD1 C 13 26.1 0.2 . 2 . . . . 15 LEU CD1 . 7103 1 176 . 1 1 15 15 LEU CD2 C 13 22.6 0.2 . 2 . . . . 15 LEU CD2 . 7103 1 177 . 1 1 15 15 LEU N N 15 121.0 0.2 . 1 . . . . 15 LEU N . 7103 1 178 . 1 1 16 16 TRP H H 1 7.42 0.005 . 1 . . . . 16 TRP H . 7103 1 179 . 1 1 16 16 TRP HA H 1 4.33 0.005 . 1 . . . . 16 TRP HA . 7103 1 180 . 1 1 16 16 TRP HB2 H 1 3.10 0.005 . 2 . . . . 16 TRP HB2 . 7103 1 181 . 1 1 16 16 TRP HB3 H 1 2.67 0.005 . 2 . . . . 16 TRP HB3 . 7103 1 182 . 1 1 16 16 TRP HD1 H 1 7.31 0.005 . 1 . . . . 16 TRP HD1 . 7103 1 183 . 1 1 16 16 TRP HE1 H 1 10.07 0.005 . 1 . . . . 16 TRP HE1 . 7103 1 184 . 1 1 16 16 TRP HE3 H 1 7.13 0.005 . 1 . . . . 16 TRP HE3 . 7103 1 185 . 1 1 16 16 TRP HZ2 H 1 7.38 0.005 . 1 . . . . 16 TRP HZ2 . 7103 1 186 . 1 1 16 16 TRP HZ3 H 1 6.94 0.005 . 1 . . . . 16 TRP HZ3 . 7103 1 187 . 1 1 16 16 TRP HH2 H 1 6.58 0.005 . 1 . . . . 16 TRP HH2 . 7103 1 188 . 1 1 16 16 TRP C C 13 173.9 0.2 . 1 . . . . 16 TRP C . 7103 1 189 . 1 1 16 16 TRP CA C 13 58.7 0.2 . 1 . . . . 16 TRP CA . 7103 1 190 . 1 1 16 16 TRP CB C 13 32.8 0.2 . 1 . . . . 16 TRP CB . 7103 1 191 . 1 1 16 16 TRP CD1 C 13 128.3 0.2 . 1 . . . . 16 TRP CD1 . 7103 1 192 . 1 1 16 16 TRP CZ2 C 13 114.3 0.2 . 1 . . . . 16 TRP CZ2 . 7103 1 193 . 1 1 16 16 TRP CZ3 C 13 120.1 0.2 . 1 . . . . 16 TRP CZ3 . 7103 1 194 . 1 1 16 16 TRP CH2 C 13 123.8 0.2 . 1 . . . . 16 TRP CH2 . 7103 1 195 . 1 1 16 16 TRP N N 15 119.9 0.2 . 1 . . . . 16 TRP N . 7103 1 196 . 1 1 16 16 TRP NE1 N 15 130.0 0.2 . 1 . . . . 16 TRP NE1 . 7103 1 197 . 1 1 17 17 HIS H H 1 7.70 0.005 . 1 . . . . 17 HIS H . 7103 1 198 . 1 1 17 17 HIS HA H 1 5.60 0.005 . 1 . . . . 17 HIS HA . 7103 1 199 . 1 1 17 17 HIS HB2 H 1 2.95 0.005 . 2 . . . . 17 HIS HB2 . 7103 1 200 . 1 1 17 17 HIS HB3 H 1 2.57 0.005 . 2 . . . . 17 HIS HB3 . 7103 1 201 . 1 1 17 17 HIS HD2 H 1 6.77 0.005 . 1 . . . . 17 HIS HD2 . 7103 1 202 . 1 1 17 17 HIS HE1 H 1 7.46 0.005 . 1 . . . . 17 HIS HE1 . 7103 1 203 . 1 1 17 17 HIS C C 13 173.2 0.2 . 1 . . . . 17 HIS C . 7103 1 204 . 1 1 17 17 HIS CA C 13 56.1 0.2 . 1 . . . . 17 HIS CA . 7103 1 205 . 1 1 17 17 HIS CB C 13 33.3 0.2 . 1 . . . . 17 HIS CB . 7103 1 206 . 1 1 17 17 HIS CD2 C 13 122.2 0.2 . 1 . . . . 17 HIS CD2 . 7103 1 207 . 1 1 17 17 HIS CE1 C 13 137.4 0.2 . 1 . . . . 17 HIS CE1 . 7103 1 208 . 1 1 17 17 HIS N N 15 126.4 0.2 . 1 . . . . 17 HIS N . 7103 1 209 . 1 1 18 18 SER H H 1 7.68 0.005 . 1 . . . . 18 SER H . 7103 1 210 . 1 1 18 18 SER HA H 1 3.95 0.005 . 1 . . . . 18 SER HA . 7103 1 211 . 1 1 18 18 SER HB2 H 1 3.00 0.005 . 1 . . . . 18 SER HB2 . 7103 1 212 . 1 1 18 18 SER HB3 H 1 3.00 0.005 . 1 . . . . 18 SER HB3 . 7103 1 213 . 1 1 18 18 SER C C 13 173.6 0.2 . 1 . . . . 18 SER C . 7103 1 214 . 1 1 18 18 SER CA C 13 57.3 0.2 . 1 . . . . 18 SER CA . 7103 1 215 . 1 1 18 18 SER CB C 13 67.0 0.2 . 1 . . . . 18 SER CB . 7103 1 216 . 1 1 18 18 SER N N 15 117.3 0.2 . 1 . . . . 18 SER N . 7103 1 217 . 1 1 19 19 THR H H 1 8.26 0.005 . 1 . . . . 19 THR H . 7103 1 218 . 1 1 19 19 THR HA H 1 4.74 0.005 . 1 . . . . 19 THR HA . 7103 1 219 . 1 1 19 19 THR HB H 1 4.73 0.005 . 1 . . . . 19 THR HB . 7103 1 220 . 1 1 19 19 THR HG21 H 1 1.17 0.005 . 1 . . . . 19 THR HG2 . 7103 1 221 . 1 1 19 19 THR HG22 H 1 1.17 0.005 . 1 . . . . 19 THR HG2 . 7103 1 222 . 1 1 19 19 THR HG23 H 1 1.17 0.005 . 1 . . . . 19 THR HG2 . 7103 1 223 . 1 1 19 19 THR C C 13 173.8 0.2 . 1 . . . . 19 THR C . 7103 1 224 . 1 1 19 19 THR CA C 13 61.0 0.2 . 1 . . . . 19 THR CA . 7103 1 225 . 1 1 19 19 THR CB C 13 69.0 0.2 . 1 . . . . 19 THR CB . 7103 1 226 . 1 1 19 19 THR CG2 C 13 21.5 0.2 . 1 . . . . 19 THR CG2 . 7103 1 227 . 1 1 19 19 THR N N 15 113.2 0.2 . 1 . . . . 19 THR N . 7103 1 228 . 1 1 20 20 ASN H H 1 8.90 0.005 . 1 . . . . 20 ASN H . 7103 1 229 . 1 1 20 20 ASN HA H 1 4.72 0.005 . 1 . . . . 20 ASN HA . 7103 1 230 . 1 1 20 20 ASN HB2 H 1 2.84 0.005 . 2 . . . . 20 ASN HB2 . 7103 1 231 . 1 1 20 20 ASN HB3 H 1 2.73 0.005 . 2 . . . . 20 ASN HB3 . 7103 1 232 . 1 1 20 20 ASN HD21 H 1 7.20 0.005 . 2 . . . . 20 ASN HD21 . 7103 1 233 . 1 1 20 20 ASN HD22 H 1 7.73 0.005 . 2 . . . . 20 ASN HD22 . 7103 1 234 . 1 1 20 20 ASN C C 13 175.5 0.2 . 1 . . . . 20 ASN C . 7103 1 235 . 1 1 20 20 ASN CA C 13 53.2 0.2 . 1 . . . . 20 ASN CA . 7103 1 236 . 1 1 20 20 ASN CB C 13 39.3 0.2 . 1 . . . . 20 ASN CB . 7103 1 237 . 1 1 20 20 ASN N N 15 124.3 0.2 . 1 . . . . 20 ASN N . 7103 1 238 . 1 1 20 20 ASN ND2 N 15 113.5 0.2 . 1 . . . . 20 ASN ND2 . 7103 1 239 . 1 1 21 21 ALA H H 1 9.24 0.005 . 1 . . . . 21 ALA H . 7103 1 240 . 1 1 21 21 ALA HA H 1 3.85 0.005 . 1 . . . . 21 ALA HA . 7103 1 241 . 1 1 21 21 ALA HB1 H 1 1.56 0.005 . 1 . . . . 21 ALA HB . 7103 1 242 . 1 1 21 21 ALA HB2 H 1 1.56 0.005 . 1 . . . . 21 ALA HB . 7103 1 243 . 1 1 21 21 ALA HB3 H 1 1.56 0.005 . 1 . . . . 21 ALA HB . 7103 1 244 . 1 1 21 21 ALA C C 13 178.6 0.2 . 1 . . . . 21 ALA C . 7103 1 245 . 1 1 21 21 ALA CA C 13 56.3 0.2 . 1 . . . . 21 ALA CA . 7103 1 246 . 1 1 21 21 ALA CB C 13 18.2 0.2 . 1 . . . . 21 ALA CB . 7103 1 247 . 1 1 21 21 ALA N N 15 130.0 0.2 . 1 . . . . 21 ALA N . 7103 1 248 . 1 1 22 22 GLU H H 1 8.27 0.005 . 1 . . . . 22 GLU H . 7103 1 249 . 1 1 22 22 GLU HA H 1 4.16 0.005 . 1 . . . . 22 GLU HA . 7103 1 250 . 1 1 22 22 GLU HB2 H 1 2.34 0.005 . 2 . . . . 22 GLU HB2 . 7103 1 251 . 1 1 22 22 GLU HB3 H 1 2.2 0.005 . 2 . . . . 22 GLU HB3 . 7103 1 252 . 1 1 22 22 GLU HG2 H 1 2.08 0.005 . 2 . . . . 22 GLU HG2 . 7103 1 253 . 1 1 22 22 GLU C C 13 175.0 0.2 . 1 . . . . 22 GLU C . 7103 1 254 . 1 1 22 22 GLU CA C 13 60.1 0.2 . 1 . . . . 22 GLU CA . 7103 1 255 . 1 1 22 22 GLU CB C 13 29.2 0.2 . 1 . . . . 22 GLU CB . 7103 1 256 . 1 1 22 22 GLU N N 15 117.7 0.2 . 1 . . . . 22 GLU N . 7103 1 257 . 1 1 23 23 GLU H H 1 7.66 0.005 . 1 . . . . 23 GLU H . 7103 1 258 . 1 1 23 23 GLU HA H 1 4.17 0.005 . 1 . . . . 23 GLU HA . 7103 1 259 . 1 1 23 23 GLU HB2 H 1 2.43 0.005 . 1 . . . . 23 GLU HB2 . 7103 1 260 . 1 1 23 23 GLU HB3 H 1 2.4 0.005 . 1 . . . . 23 GLU HB3 . 7103 1 261 . 1 1 23 23 GLU C C 13 179.5 0.2 . 1 . . . . 23 GLU C . 7103 1 262 . 1 1 23 23 GLU CA C 13 59.4 0.2 . 1 . . . . 23 GLU CA . 7103 1 263 . 1 1 23 23 GLU CB C 13 30.0 0.2 . 1 . . . . 23 GLU CB . 7103 1 264 . 1 1 23 23 GLU N N 15 120.2 0.2 . 1 . . . . 23 GLU N . 7103 1 265 . 1 1 24 24 ILE H H 1 8.47 0.005 . 1 . . . . 24 ILE H . 7103 1 266 . 1 1 24 24 ILE HA H 1 3.30 0.005 . 1 . . . . 24 ILE HA . 7103 1 267 . 1 1 24 24 ILE HB H 1 1.54 0.005 . 1 . . . . 24 ILE HB . 7103 1 268 . 1 1 24 24 ILE HG12 H 1 0.78 0.005 . 2 . . . . 24 ILE HG12 . 7103 1 269 . 1 1 24 24 ILE HG13 H 1 1.69 0.005 . 2 . . . . 24 ILE HG13 . 7103 1 270 . 1 1 24 24 ILE HG21 H 1 -0.05 0.005 . 1 . . . . 24 ILE HG2 . 7103 1 271 . 1 1 24 24 ILE HG22 H 1 -0.05 0.005 . 1 . . . . 24 ILE HG2 . 7103 1 272 . 1 1 24 24 ILE HG23 H 1 -0.05 0.005 . 1 . . . . 24 ILE HG2 . 7103 1 273 . 1 1 24 24 ILE HD11 H 1 0.26 0.005 . 1 . . . . 24 ILE HD1 . 7103 1 274 . 1 1 24 24 ILE HD12 H 1 0.26 0.005 . 1 . . . . 24 ILE HD1 . 7103 1 275 . 1 1 24 24 ILE HD13 H 1 0.26 0.005 . 1 . . . . 24 ILE HD1 . 7103 1 276 . 1 1 24 24 ILE C C 13 177.2 0.2 . 1 . . . . 24 ILE C . 7103 1 277 . 1 1 24 24 ILE CA C 13 66.1 0.2 . 1 . . . . 24 ILE CA . 7103 1 278 . 1 1 24 24 ILE CB C 13 38.5 0.2 . 1 . . . . 24 ILE CB . 7103 1 279 . 1 1 24 24 ILE CG1 C 13 27.5 0.2 . 1 . . . . 24 ILE CG1 . 7103 1 280 . 1 1 24 24 ILE CG2 C 13 15.7 0.2 . 1 . . . . 24 ILE CG2 . 7103 1 281 . 1 1 24 24 ILE CD1 C 13 13.0 0.2 . 1 . . . . 24 ILE CD1 . 7103 1 282 . 1 1 24 24 ILE N N 15 120.2 0.2 . 1 . . . . 24 ILE N . 7103 1 283 . 1 1 25 25 GLN H H 1 8.29 0.005 . 1 . . . . 25 GLN H . 7103 1 284 . 1 1 25 25 GLN HA H 1 3.85 0.005 . 1 . . . . 25 GLN HA . 7103 1 285 . 1 1 25 25 GLN HB2 H 1 2.37 0.005 . 1 . . . . 25 GLN HB2 . 7103 1 286 . 1 1 25 25 GLN HB3 H 1 2.37 0.005 . 1 . . . . 25 GLN HB3 . 7103 1 287 . 1 1 25 25 GLN HG2 H 1 2.52 0.005 . 2 . . . . 25 GLN HG2 . 7103 1 288 . 1 1 25 25 GLN HG3 H 1 3.00 0.005 . 2 . . . . 25 GLN HG3 . 7103 1 289 . 1 1 25 25 GLN HE21 H 1 7.96 0.005 . 2 . . . . 25 GLN HE21 . 7103 1 290 . 1 1 25 25 GLN HE22 H 1 7.04 0.005 . 2 . . . . 25 GLN HE22 . 7103 1 291 . 1 1 25 25 GLN C C 13 178.1 0.2 . 1 . . . . 25 GLN C . 7103 1 292 . 1 1 25 25 GLN CA C 13 60.3 0.2 . 1 . . . . 25 GLN CA . 7103 1 293 . 1 1 25 25 GLN CB C 13 29.2 0.2 . 1 . . . . 25 GLN CB . 7103 1 294 . 1 1 25 25 GLN CG C 13 33.7 0.2 . 1 . . . . 25 GLN CG . 7103 1 295 . 1 1 25 25 GLN N N 15 117.7 0.2 . 1 . . . . 25 GLN N . 7103 1 296 . 1 1 25 25 GLN NE2 N 15 111.4 0.2 . 1 . . . . 25 GLN NE2 . 7103 1 297 . 1 1 26 26 GLN H H 1 7.94 0.005 . 1 . . . . 26 GLN H . 7103 1 298 . 1 1 26 26 GLN HA H 1 4.04 0.005 . 1 . . . . 26 GLN HA . 7103 1 299 . 1 1 26 26 GLN HB2 H 1 2.23 0.005 . 2 . . . . 26 GLN HB2 . 7103 1 300 . 1 1 26 26 GLN HB3 H 1 2.14 0.005 . 2 . . . . 26 GLN HB3 . 7103 1 301 . 1 1 26 26 GLN HG2 H 1 2.60 0.005 . 2 . . . . 26 GLN HG2 . 7103 1 302 . 1 1 26 26 GLN HG3 H 1 2.40 0.005 . 2 . . . . 26 GLN HG3 . 7103 1 303 . 1 1 26 26 GLN HE21 H 1 7.46 0.005 . 2 . . . . 26 GLN HE21 . 7103 1 304 . 1 1 26 26 GLN HE22 H 1 6.80 0.005 . 2 . . . . 26 GLN HE22 . 7103 1 305 . 1 1 26 26 GLN C C 13 179.3 0.2 . 1 . . . . 26 GLN C . 7103 1 306 . 1 1 26 26 GLN CA C 13 59.5 0.2 . 1 . . . . 26 GLN CA . 7103 1 307 . 1 1 26 26 GLN CB C 13 28.5 0.2 . 1 . . . . 26 GLN CB . 7103 1 308 . 1 1 26 26 GLN CG C 13 33.9 0.2 . 1 . . . . 26 GLN CG . 7103 1 309 . 1 1 26 26 GLN N N 15 118.4 0.2 . 1 . . . . 26 GLN N . 7103 1 310 . 1 1 26 26 GLN NE2 N 15 111.4 0.2 . 1 . . . . 26 GLN NE2 . 7103 1 311 . 1 1 27 27 GLN H H 1 7.84 0.005 . 1 . . . . 27 GLN H . 7103 1 312 . 1 1 27 27 GLN HA H 1 3.76 0.005 . 1 . . . . 27 GLN HA . 7103 1 313 . 1 1 27 27 GLN HB2 H 1 1.60 0.005 . 2 . . . . 27 GLN HB2 . 7103 1 314 . 1 1 27 27 GLN HB3 H 1 1.54 0.005 . 2 . . . . 27 GLN HB3 . 7103 1 315 . 1 1 27 27 GLN HG2 H 1 1.71 0.005 . 2 . . . . 27 GLN HG2 . 7103 1 316 . 1 1 27 27 GLN HG3 H 1 0.81 0.005 . 2 . . . . 27 GLN HG3 . 7103 1 317 . 1 1 27 27 GLN HE21 H 1 6.20 0.005 . 2 . . . . 27 GLN HE21 . 7103 1 318 . 1 1 27 27 GLN HE22 H 1 5.93 0.005 . 2 . . . . 27 GLN HE22 . 7103 1 319 . 1 1 27 27 GLN C C 13 179.1 0.2 . 1 . . . . 27 GLN C . 7103 1 320 . 1 1 27 27 GLN CA C 13 58.1 0.2 . 1 . . . . 27 GLN CA . 7103 1 321 . 1 1 27 27 GLN CB C 13 28.2 0.2 . 1 . . . . 27 GLN CB . 7103 1 322 . 1 1 27 27 GLN CG C 13 32.2 0.2 . 1 . . . . 27 GLN CG . 7103 1 323 . 1 1 27 27 GLN N N 15 118.2 0.2 . 1 . . . . 27 GLN N . 7103 1 324 . 1 1 27 27 GLN NE2 N 15 110.2 0.2 . 1 . . . . 27 GLN NE2 . 7103 1 325 . 1 1 28 28 LEU H H 1 8.1 0.005 . 1 . . . . 28 LEU H . 7103 1 326 . 1 1 28 28 LEU HA H 1 3.85 0.005 . 1 . . . . 28 LEU HA . 7103 1 327 . 1 1 28 28 LEU HB2 H 1 1.66 0.005 . 2 . . . . 28 LEU HB2 . 7103 1 328 . 1 1 28 28 LEU HB3 H 1 1.36 0.005 . 2 . . . . 28 LEU HB3 . 7103 1 329 . 1 1 28 28 LEU HG H 1 0.63 0.005 . 1 . . . . 28 LEU HG . 7103 1 330 . 1 1 28 28 LEU HD11 H 1 0.79 0.005 . 1 . . . . 28 LEU HD1 . 7103 1 331 . 1 1 28 28 LEU HD12 H 1 0.79 0.005 . 1 . . . . 28 LEU HD1 . 7103 1 332 . 1 1 28 28 LEU HD13 H 1 0.79 0.005 . 1 . . . . 28 LEU HD1 . 7103 1 333 . 1 1 28 28 LEU HD21 H 1 0.57 0.005 . 1 . . . . 28 LEU HD2 . 7103 1 334 . 1 1 28 28 LEU HD22 H 1 0.57 0.005 . 1 . . . . 28 LEU HD2 . 7103 1 335 . 1 1 28 28 LEU HD23 H 1 0.57 0.005 . 1 . . . . 28 LEU HD2 . 7103 1 336 . 1 1 28 28 LEU C C 13 180.0 0.2 . 1 . . . . 28 LEU C . 7103 1 337 . 1 1 28 28 LEU CA C 13 57.8 0.2 . 1 . . . . 28 LEU CA . 7103 1 338 . 1 1 28 28 LEU CB C 13 39.3 0.2 . 1 . . . . 28 LEU CB . 7103 1 339 . 1 1 28 28 LEU CG C 13 21.8 0.2 . 1 . . . . 28 LEU CG . 7103 1 340 . 1 1 28 28 LEU CD1 C 13 27.5 0.2 . 1 . . . . 28 LEU CD1 . 7103 1 341 . 1 1 28 28 LEU CD2 C 13 27.0 0.2 . 1 . . . . 28 LEU CD2 . 7103 1 342 . 1 1 28 28 LEU N N 15 117.6 0.2 . 1 . . . . 28 LEU N . 7103 1 343 . 1 1 29 29 ASN H H 1 9.15 0.005 . 1 . . . . 29 ASN H . 7103 1 344 . 1 1 29 29 ASN HA H 1 4.37 0.005 . 1 . . . . 29 ASN HA . 7103 1 345 . 1 1 29 29 ASN HB2 H 1 2.94 0.005 . 2 . . . . 29 ASN HB2 . 7103 1 346 . 1 1 29 29 ASN HB3 H 1 2.75 0.005 . 2 . . . . 29 ASN HB3 . 7103 1 347 . 1 1 29 29 ASN HD21 H 1 7.93 0.005 . 2 . . . . 29 ASN HD21 . 7103 1 348 . 1 1 29 29 ASN HD22 H 1 7.73 0.005 . 2 . . . . 29 ASN HD22 . 7103 1 349 . 1 1 29 29 ASN C C 13 179.0 0.2 . 1 . . . . 29 ASN C . 7103 1 350 . 1 1 29 29 ASN CA C 13 56.5 0.2 . 1 . . . . 29 ASN CA . 7103 1 351 . 1 1 29 29 ASN CB C 13 38.7 0.2 . 1 . . . . 29 ASN CB . 7103 1 352 . 1 1 29 29 ASN N N 15 120.0 0.2 . 1 . . . . 29 ASN N . 7103 1 353 . 1 1 29 29 ASN ND2 N 15 112.1 0.2 . 1 . . . . 29 ASN ND2 . 7103 1 354 . 1 1 30 30 ALA H H 1 7.49 0.005 . 1 . . . . 30 ALA H . 7103 1 355 . 1 1 30 30 ALA HA H 1 4.17 0.005 . 1 . . . . 30 ALA HA . 7103 1 356 . 1 1 30 30 ALA HB1 H 1 1.46 0.005 . 1 . . . . 30 ALA HB . 7103 1 357 . 1 1 30 30 ALA HB2 H 1 1.46 0.005 . 1 . . . . 30 ALA HB . 7103 1 358 . 1 1 30 30 ALA HB3 H 1 1.46 0.005 . 1 . . . . 30 ALA HB . 7103 1 359 . 1 1 30 30 ALA C C 13 178.2 0.2 . 1 . . . . 30 ALA C . 7103 1 360 . 1 1 30 30 ALA CA C 13 54.7 0.2 . 1 . . . . 30 ALA CA . 7103 1 361 . 1 1 30 30 ALA CB C 13 18.0 0.2 . 1 . . . . 30 ALA CB . 7103 1 362 . 1 1 30 30 ALA N N 15 121.4 0.2 . 1 . . . . 30 ALA N . 7103 1 363 . 1 1 31 31 LYS H H 1 7.17 0.005 . 1 . . . . 31 LYS H . 7103 1 364 . 1 1 31 31 LYS HA H 1 4.43 0.005 . 1 . . . . 31 LYS HA . 7103 1 365 . 1 1 31 31 LYS HB2 H 1 1.95 0.005 . 2 . . . . 31 LYS HB2 . 7103 1 366 . 1 1 31 31 LYS HB3 H 1 1.48 0.005 . 2 . . . . 31 LYS HB3 . 7103 1 367 . 1 1 31 31 LYS HG2 H 1 1.95 0.005 . 2 . . . . 31 LYS HG2 . 7103 1 368 . 1 1 31 31 LYS HG3 H 1 1.48 0.005 . 2 . . . . 31 LYS HG3 . 7103 1 369 . 1 1 31 31 LYS HD2 H 1 1.58 0.005 . 2 . . . . 31 LYS HD2 . 7103 1 370 . 1 1 31 31 LYS HD3 H 1 1.41 0.005 . 2 . . . . 31 LYS HD3 . 7103 1 371 . 1 1 31 31 LYS HE2 H 1 2.94 0.005 . 1 . . . . 31 LYS HE2 . 7103 1 372 . 1 1 31 31 LYS HE3 H 1 2.94 0.005 . 1 . . . . 31 LYS HE3 . 7103 1 373 . 1 1 31 31 LYS C C 13 175.9 0.2 . 1 . . . . 31 LYS C . 7103 1 374 . 1 1 31 31 LYS CA C 13 53.0 0.2 . 1 . . . . 31 LYS CA . 7103 1 375 . 1 1 31 31 LYS CB C 13 31.8 0.2 . 1 . . . . 31 LYS CB . 7103 1 376 . 1 1 31 31 LYS CG C 13 23.7 0.2 . 1 . . . . 31 LYS CG . 7103 1 377 . 1 1 31 31 LYS CD C 13 27.3 0.2 . 1 . . . . 31 LYS CD . 7103 1 378 . 1 1 31 31 LYS CE C 13 42.5 0.2 . 1 . . . . 31 LYS CE . 7103 1 379 . 1 1 31 31 LYS N N 15 114.6 0.2 . 1 . . . . 31 LYS N . 7103 1 380 . 1 1 32 32 GLY H H 1 7.73 0.005 . 1 . . . . 32 GLY H . 7103 1 381 . 1 1 32 32 GLY HA2 H 1 4.04 0.005 . 2 . . . . 32 GLY HA2 . 7103 1 382 . 1 1 32 32 GLY HA3 H 1 3.70 0.005 . 2 . . . . 32 GLY HA3 . 7103 1 383 . 1 1 32 32 GLY C C 13 173.6 0.2 . 1 . . . . 32 GLY C . 7103 1 384 . 1 1 32 32 GLY CA C 13 45.5 0.2 . 1 . . . . 32 GLY CA . 7103 1 385 . 1 1 32 32 GLY N N 15 106.4 0.2 . 1 . . . . 32 GLY N . 7103 1 386 . 1 1 33 33 VAL H H 1 7.83 0.005 . 1 . . . . 33 VAL H . 7103 1 387 . 1 1 33 33 VAL HA H 1 3.66 0.005 . 1 . . . . 33 VAL HA . 7103 1 388 . 1 1 33 33 VAL HB H 1 1.71 0.005 . 1 . . . . 33 VAL HB . 7103 1 389 . 1 1 33 33 VAL HG11 H 1 1.07 0.005 . 1 . . . . 33 VAL HG1 . 7103 1 390 . 1 1 33 33 VAL HG12 H 1 1.07 0.005 . 1 . . . . 33 VAL HG1 . 7103 1 391 . 1 1 33 33 VAL HG13 H 1 1.07 0.005 . 1 . . . . 33 VAL HG1 . 7103 1 392 . 1 1 33 33 VAL HG21 H 1 0.52 0.005 . 1 . . . . 33 VAL HG2 . 7103 1 393 . 1 1 33 33 VAL HG22 H 1 0.52 0.005 . 1 . . . . 33 VAL HG2 . 7103 1 394 . 1 1 33 33 VAL HG23 H 1 0.52 0.005 . 1 . . . . 33 VAL HG2 . 7103 1 395 . 1 1 33 33 VAL C C 13 174.0 0.2 . 1 . . . . 33 VAL C . 7103 1 396 . 1 1 33 33 VAL CA C 13 61.8 0.2 . 1 . . . . 33 VAL CA . 7103 1 397 . 1 1 33 33 VAL CB C 13 32.9 0.2 . 1 . . . . 33 VAL CB . 7103 1 398 . 1 1 33 33 VAL CG1 C 13 21.4 0.2 . 1 . . . . 33 VAL CG1 . 7103 1 399 . 1 1 33 33 VAL CG2 C 13 20.9 0.2 . 1 . . . . 33 VAL CG2 . 7103 1 400 . 1 1 33 33 VAL N N 15 122.7 0.2 . 1 . . . . 33 VAL N . 7103 1 401 . 1 1 34 34 ARG H H 1 8.50 0.005 . 1 . . . . 34 ARG H . 7103 1 402 . 1 1 34 34 ARG HA H 1 4.06 0.005 . 1 . . . . 34 ARG HA . 7103 1 403 . 1 1 34 34 ARG HB2 H 1 1.70 0.005 . 2 . . . . 34 ARG HB2 . 7103 1 404 . 1 1 34 34 ARG HB3 H 1 1.56 0.005 . 2 . . . . 34 ARG HB3 . 7103 1 405 . 1 1 34 34 ARG HG2 H 1 1.24 0.005 . 2 . . . . 34 ARG HG2 . 7103 1 406 . 1 1 34 34 ARG HD2 H 1 2.98 0.005 . 2 . . . . 34 ARG HD2 . 7103 1 407 . 1 1 34 34 ARG C C 13 173.8 0.2 . 1 . . . . 34 ARG C . 7103 1 408 . 1 1 34 34 ARG CA C 13 55.9 0.2 . 1 . . . . 34 ARG CA . 7103 1 409 . 1 1 34 34 ARG CB C 13 32.7 0.2 . 1 . . . . 34 ARG CB . 7103 1 410 . 1 1 34 34 ARG N N 15 130.2 0.2 . 1 . . . . 34 ARG N . 7103 1 411 . 1 1 35 35 PHE H H 1 8.24 0.005 . 1 . . . . 35 PHE H . 7103 1 412 . 1 1 35 35 PHE HA H 1 5.62 0.005 . 1 . . . . 35 PHE HA . 7103 1 413 . 1 1 35 35 PHE HB2 H 1 2.96 0.005 . 2 . . . . 35 PHE HB2 . 7103 1 414 . 1 1 35 35 PHE HB3 H 1 2.76 0.005 . 2 . . . . 35 PHE HB3 . 7103 1 415 . 1 1 35 35 PHE HD1 H 1 6.92 0.005 . 1 . . . . 35 PHE HD1 . 7103 1 416 . 1 1 35 35 PHE HD2 H 1 6.92 0.005 . 1 . . . . 35 PHE HD2 . 7103 1 417 . 1 1 35 35 PHE HE1 H 1 7.07 0.005 . 1 . . . . 35 PHE HE1 . 7103 1 418 . 1 1 35 35 PHE HE2 H 1 7.07 0.005 . 1 . . . . 35 PHE HE2 . 7103 1 419 . 1 1 35 35 PHE C C 13 173.8 0.2 . 1 . . . . 35 PHE C . 7103 1 420 . 1 1 35 35 PHE CA C 13 58.0 0.2 . 1 . . . . 35 PHE CA . 7103 1 421 . 1 1 35 35 PHE CB C 13 43.2 0.2 . 1 . . . . 35 PHE CB . 7103 1 422 . 1 1 35 35 PHE CD1 C 13 131.5 0.2 . 1 . . . . 35 PHE CD1 . 7103 1 423 . 1 1 35 35 PHE CD2 C 13 131.5 0.2 . 1 . . . . 35 PHE CD2 . 7103 1 424 . 1 1 35 35 PHE CE1 C 13 130.4 0.2 . 1 . . . . 35 PHE CE1 . 7103 1 425 . 1 1 35 35 PHE CE2 C 13 130.4 0.2 . 1 . . . . 35 PHE CE2 . 7103 1 426 . 1 1 35 35 PHE N N 15 125.1 0.2 . 1 . . . . 35 PHE N . 7103 1 427 . 1 1 36 36 GLU H H 1 8.69 0.005 . 1 . . . . 36 GLU H . 7103 1 428 . 1 1 36 36 GLU HA H 1 4.44 0.005 . 1 . . . . 36 GLU HA . 7103 1 429 . 1 1 36 36 GLU HB2 H 1 2.24 0.005 . 2 . . . . 36 GLU HB2 . 7103 1 430 . 1 1 36 36 GLU HB3 H 1 1.80 0.005 . 2 . . . . 36 GLU HB3 . 7103 1 431 . 1 1 36 36 GLU HG2 H 1 2.13 0.005 . 2 . . . . 36 GLU HG2 . 7103 1 432 . 1 1 36 36 GLU HG3 H 1 1.90 0.005 . 2 . . . . 36 GLU HG3 . 7103 1 433 . 1 1 36 36 GLU C C 13 172.2 0.2 . 1 . . . . 36 GLU C . 7103 1 434 . 1 1 36 36 GLU CA C 13 54.4 0.2 . 1 . . . . 36 GLU CA . 7103 1 435 . 1 1 36 36 GLU CB C 13 34.2 0.2 . 1 . . . . 36 GLU CB . 7103 1 436 . 1 1 36 36 GLU N N 15 125.1 0.2 . 1 . . . . 36 GLU N . 7103 1 437 . 1 1 37 37 ARG H H 1 8.42 0.005 . 1 . . . . 37 ARG H . 7103 1 438 . 1 1 37 37 ARG HA H 1 5.21 0.005 . 1 . . . . 37 ARG HA . 7103 1 439 . 1 1 37 37 ARG HB2 H 1 1.74 0.005 . 2 . . . . 37 ARG HB2 . 7103 1 440 . 1 1 37 37 ARG HB3 H 1 1.60 0.005 . 2 . . . . 37 ARG HB3 . 7103 1 441 . 1 1 37 37 ARG HG2 H 1 1.84 0.005 . 2 . . . . 37 ARG HG2 . 7103 1 442 . 1 1 37 37 ARG HG3 H 1 1.38 0.005 . 2 . . . . 37 ARG HG3 . 7103 1 443 . 1 1 37 37 ARG HD2 H 1 2.82 0.005 . 2 . . . . 37 ARG HD2 . 7103 1 444 . 1 1 37 37 ARG HD3 H 1 3.09 0.005 . 2 . . . . 37 ARG HD3 . 7103 1 445 . 1 1 37 37 ARG C C 13 176.6 0.2 . 1 . . . . 37 ARG C . 7103 1 446 . 1 1 37 37 ARG CA C 13 55.8 0.2 . 1 . . . . 37 ARG CA . 7103 1 447 . 1 1 37 37 ARG CB C 13 32.3 0.2 . 1 . . . . 37 ARG CB . 7103 1 448 . 1 1 37 37 ARG CD C 13 42.5 0.2 . 1 . . . . 37 ARG CD . 7103 1 449 . 1 1 37 37 ARG N N 15 119.0 0.2 . 1 . . . . 37 ARG N . 7103 1 450 . 1 1 38 38 TRP H H 1 9.53 0.005 . 1 . . . . 38 TRP H . 7103 1 451 . 1 1 38 38 TRP HA H 1 4.85 0.005 . 1 . . . . 38 TRP HA . 7103 1 452 . 1 1 38 38 TRP HB2 H 1 2.78 0.005 . 2 . . . . 38 TRP HB2 . 7103 1 453 . 1 1 38 38 TRP HB3 H 1 2.65 0.005 . 2 . . . . 38 TRP HB3 . 7103 1 454 . 1 1 38 38 TRP HD1 H 1 6.94 0.005 . 1 . . . . 38 TRP HD1 . 7103 1 455 . 1 1 38 38 TRP HE1 H 1 9.98 0.005 . 1 . . . . 38 TRP HE1 . 7103 1 456 . 1 1 38 38 TRP HE3 H 1 6.45 0.005 . 1 . . . . 38 TRP HE3 . 7103 1 457 . 1 1 38 38 TRP HZ2 H 1 7.16 0.005 . 1 . . . . 38 TRP HZ2 . 7103 1 458 . 1 1 38 38 TRP HZ3 H 1 6.73 0.005 . 1 . . . . 38 TRP HZ3 . 7103 1 459 . 1 1 38 38 TRP HH2 H 1 6.72 0.005 . 1 . . . . 38 TRP HH2 . 7103 1 460 . 1 1 38 38 TRP C C 13 175.0 0.2 . 1 . . . . 38 TRP C . 7103 1 461 . 1 1 38 38 TRP CA C 13 54.6 0.2 . 1 . . . . 38 TRP CA . 7103 1 462 . 1 1 38 38 TRP CB C 13 32.2 0.2 . 1 . . . . 38 TRP CB . 7103 1 463 . 1 1 38 38 TRP CD1 C 13 123.8 0.2 . 1 . . . . 38 TRP CD1 . 7103 1 464 . 1 1 38 38 TRP CE3 C 13 120.7 0.2 . 1 . . . . 38 TRP CE3 . 7103 1 465 . 1 1 38 38 TRP CZ2 C 13 114.3 0.2 . 1 . . . . 38 TRP CZ2 . 7103 1 466 . 1 1 38 38 TRP CZ3 C 13 120.8 0.2 . 1 . . . . 38 TRP CZ3 . 7103 1 467 . 1 1 38 38 TRP CH2 C 13 124.1 0.2 . 1 . . . . 38 TRP CH2 . 7103 1 468 . 1 1 38 38 TRP N N 15 127.6 0.2 . 1 . . . . 38 TRP N . 7103 1 469 . 1 1 38 38 TRP NE1 N 15 128.3 0.2 . 1 . . . . 38 TRP NE1 . 7103 1 470 . 1 1 39 39 GLN H H 1 8.35 0.005 . 1 . . . . 39 GLN H . 7103 1 471 . 1 1 39 39 GLN HA H 1 4.15 0.005 . 1 . . . . 39 GLN HA . 7103 1 472 . 1 1 39 39 GLN HB2 H 1 2.04 0.005 . 2 . . . . 39 GLN HB2 . 7103 1 473 . 1 1 39 39 GLN HB3 H 1 1.93 0.005 . 2 . . . . 39 GLN HB3 . 7103 1 474 . 1 1 39 39 GLN HG2 H 1 2.34 0.005 . 2 . . . . 39 GLN HG2 . 7103 1 475 . 1 1 39 39 GLN HG3 H 1 2.28 0.005 . 2 . . . . 39 GLN HG3 . 7103 1 476 . 1 1 39 39 GLN HE21 H 1 7.62 0.005 . 2 . . . . 39 GLN HE21 . 7103 1 477 . 1 1 39 39 GLN HE22 H 1 6.81 0.005 . 2 . . . . 39 GLN HE22 . 7103 1 478 . 1 1 39 39 GLN C C 13 175.0 0.2 . 1 . . . . 39 GLN C . 7103 1 479 . 1 1 39 39 GLN CA C 13 54.6 0.2 . 1 . . . . 39 GLN CA . 7103 1 480 . 1 1 39 39 GLN CB C 13 28.7 0.2 . 1 . . . . 39 GLN CB . 7103 1 481 . 1 1 39 39 GLN CG C 13 33.8 0.2 . 1 . . . . 39 GLN CG . 7103 1 482 . 1 1 39 39 GLN N N 15 118.0 0.2 . 1 . . . . 39 GLN N . 7103 1 483 . 1 1 39 39 GLN NE2 N 15 112.6 0.2 . 1 . . . . 39 GLN NE2 . 7103 1 484 . 1 1 40 40 ALA H H 1 8.71 0.005 . 1 . . . . 40 ALA H . 7103 1 485 . 1 1 40 40 ALA HA H 1 5.13 0.005 . 1 . . . . 40 ALA HA . 7103 1 486 . 1 1 40 40 ALA HB1 H 1 1.36 0.005 . 1 . . . . 40 ALA HB . 7103 1 487 . 1 1 40 40 ALA HB2 H 1 1.36 0.005 . 1 . . . . 40 ALA HB . 7103 1 488 . 1 1 40 40 ALA HB3 H 1 1.36 0.005 . 1 . . . . 40 ALA HB . 7103 1 489 . 1 1 40 40 ALA C C 13 176.9 0.2 . 1 . . . . 40 ALA C . 7103 1 490 . 1 1 40 40 ALA CA C 13 51.6 0.2 . 1 . . . . 40 ALA CA . 7103 1 491 . 1 1 40 40 ALA CB C 13 16.8 0.2 . 1 . . . . 40 ALA CB . 7103 1 492 . 1 1 40 40 ALA N N 15 132.5 0.2 . 1 . . . . 40 ALA N . 7103 1 493 . 1 1 41 41 ASP H H 1 8.03 0.005 . 1 . . . . 41 ASP H . 7103 1 494 . 1 1 41 41 ASP HA H 1 4.70 0.005 . 1 . . . . 41 ASP HA . 7103 1 495 . 1 1 41 41 ASP HB2 H 1 3.05 0.005 . 2 . . . . 41 ASP HB2 . 7103 1 496 . 1 1 41 41 ASP HB3 H 1 2.47 0.005 . 2 . . . . 41 ASP HB3 . 7103 1 497 . 1 1 41 41 ASP C C 13 177.0 0.2 . 1 . . . . 41 ASP C . 7103 1 498 . 1 1 41 41 ASP CA C 13 53.4 0.2 . 1 . . . . 41 ASP CA . 7103 1 499 . 1 1 41 41 ASP CB C 13 41.0 0.2 . 1 . . . . 41 ASP CB . 7103 1 500 . 1 1 41 41 ASP N N 15 118.6 0.2 . 1 . . . . 41 ASP N . 7103 1 501 . 1 1 42 42 ARG H H 1 8.08 0.005 . 1 . . . . 42 ARG H . 7103 1 502 . 1 1 42 42 ARG HA H 1 4.41 0.005 . 1 . . . . 42 ARG HA . 7103 1 503 . 1 1 42 42 ARG HB2 H 1 1.52 0.005 . 2 . . . . 42 ARG HB2 . 7103 1 504 . 1 1 42 42 ARG HB3 H 1 1.38 0.005 . 2 . . . . 42 ARG HB3 . 7103 1 505 . 1 1 42 42 ARG HG2 H 1 1.21 0.005 . 2 . . . . 42 ARG HG2 . 7103 1 506 . 1 1 42 42 ARG HG3 H 1 1.16 0.005 . 2 . . . . 42 ARG HG3 . 7103 1 507 . 1 1 42 42 ARG HD2 H 1 3.00 0.005 . 2 . . . . 42 ARG HD2 . 7103 1 508 . 1 1 42 42 ARG HD3 H 1 2.93 0.005 . 2 . . . . 42 ARG HD3 . 7103 1 509 . 1 1 42 42 ARG C C 13 175.6 0.2 . 1 . . . . 42 ARG C . 7103 1 510 . 1 1 42 42 ARG CA C 13 53.8 0.2 . 1 . . . . 42 ARG CA . 7103 1 511 . 1 1 42 42 ARG CB C 13 30.5 0.2 . 1 . . . . 42 ARG CB . 7103 1 512 . 1 1 42 42 ARG CG C 13 25.9 0.2 . 1 . . . . 42 ARG CG . 7103 1 513 . 1 1 42 42 ARG CD C 13 42.8 0.2 . 1 . . . . 42 ARG CD . 7103 1 514 . 1 1 42 42 ARG N N 15 118.8 0.2 . 1 . . . . 42 ARG N . 7103 1 515 . 1 1 43 43 ASP H H 1 8.58 0.005 . 1 . . . . 43 ASP H . 7103 1 516 . 1 1 43 43 ASP HA H 1 4.67 0.005 . 1 . . . . 43 ASP HA . 7103 1 517 . 1 1 43 43 ASP HB2 H 1 2.72 0.005 . 2 . . . . 43 ASP HB2 . 7103 1 518 . 1 1 43 43 ASP HB3 H 1 2.53 0.005 . 2 . . . . 43 ASP HB3 . 7103 1 519 . 1 1 43 43 ASP C C 13 176.6 0.2 . 1 . . . . 43 ASP C . 7103 1 520 . 1 1 43 43 ASP CA C 13 53.8 0.2 . 1 . . . . 43 ASP CA . 7103 1 521 . 1 1 43 43 ASP CB C 13 41.0 0.2 . 1 . . . . 43 ASP CB . 7103 1 522 . 1 1 43 43 ASP N N 15 122.6 0.2 . 1 . . . . 43 ASP N . 7103 1 523 . 1 1 44 44 LEU H H 1 8.80 0.005 . 1 . . . . 44 LEU H . 7103 1 524 . 1 1 44 44 LEU HA H 1 4.18 0.005 . 1 . . . . 44 LEU HA . 7103 1 525 . 1 1 44 44 LEU HB2 H 1 1.82 0.005 . 2 . . . . 44 LEU HB2 . 7103 1 526 . 1 1 44 44 LEU HB3 H 1 1.39 0.005 . 2 . . . . 44 LEU HB3 . 7103 1 527 . 1 1 44 44 LEU HG H 1 1.83 0.005 . 1 . . . . 44 LEU HG . 7103 1 528 . 1 1 44 44 LEU HD11 H 1 0.75 0.005 . 1 . . . . 44 LEU HD1 . 7103 1 529 . 1 1 44 44 LEU HD12 H 1 0.75 0.005 . 1 . . . . 44 LEU HD1 . 7103 1 530 . 1 1 44 44 LEU HD13 H 1 0.75 0.005 . 1 . . . . 44 LEU HD1 . 7103 1 531 . 1 1 44 44 LEU HD21 H 1 0.92 0.005 . 1 . . . . 44 LEU HD2 . 7103 1 532 . 1 1 44 44 LEU HD22 H 1 0.92 0.005 . 1 . . . . 44 LEU HD2 . 7103 1 533 . 1 1 44 44 LEU HD23 H 1 0.92 0.005 . 1 . . . . 44 LEU HD2 . 7103 1 534 . 1 1 44 44 LEU C C 13 177.6 0.2 . 1 . . . . 44 LEU C . 7103 1 535 . 1 1 44 44 LEU CA C 13 54.9 0.2 . 1 . . . . 44 LEU CA . 7103 1 536 . 1 1 44 44 LEU CB C 13 42.4 0.2 . 1 . . . . 44 LEU CB . 7103 1 537 . 1 1 44 44 LEU CG C 13 26.5 0.2 . 1 . . . . 44 LEU CG . 7103 1 538 . 1 1 44 44 LEU CD1 C 13 23.7 0.2 . 1 . . . . 44 LEU CD1 . 7103 1 539 . 1 1 44 44 LEU CD2 C 13 26.4 0.2 . 1 . . . . 44 LEU CD2 . 7103 1 540 . 1 1 44 44 LEU N N 15 125.5 0.2 . 1 . . . . 44 LEU N . 7103 1 541 . 1 1 45 45 GLY H H 1 8.07 0.005 . 1 . . . . 45 GLY H . 7103 1 542 . 1 1 45 45 GLY HA2 H 1 3.74 0.005 . 1 . . . . 45 GLY HA2 . 7103 1 543 . 1 1 45 45 GLY HA3 H 1 3.99 0.005 . 1 . . . . 45 GLY HA3 . 7103 1 544 . 1 1 45 45 GLY C C 13 173.9 0.2 . 1 . . . . 45 GLY C . 7103 1 545 . 1 1 45 45 GLY CA C 13 44.5 0.2 . 1 . . . . 45 GLY CA . 7103 1 546 . 1 1 45 45 GLY N N 15 106.1 0.2 . 1 . . . . 45 GLY N . 7103 1 547 . 1 1 46 46 ALA H H 1 8.19 0.005 . 1 . . . . 46 ALA H . 7103 1 548 . 1 1 46 46 ALA HA H 1 4.14 0.005 . 1 . . . . 46 ALA HA . 7103 1 549 . 1 1 46 46 ALA HB1 H 1 1.30 0.005 . 1 . . . . 46 ALA HB . 7103 1 550 . 1 1 46 46 ALA HB2 H 1 1.30 0.005 . 1 . . . . 46 ALA HB . 7103 1 551 . 1 1 46 46 ALA HB3 H 1 1.30 0.005 . 1 . . . . 46 ALA HB . 7103 1 552 . 1 1 46 46 ALA C C 13 178.1 0.2 . 1 . . . . 46 ALA C . 7103 1 553 . 1 1 46 46 ALA CA C 13 53.3 0.2 . 1 . . . . 46 ALA CA . 7103 1 554 . 1 1 46 46 ALA CB C 13 19.4 0.2 . 1 . . . . 46 ALA CB . 7103 1 555 . 1 1 46 46 ALA N N 15 120.9 0.2 . 1 . . . . 46 ALA N . 7103 1 556 . 1 1 47 47 ALA H H 1 8.64 0.005 . 1 . . . . 47 ALA H . 7103 1 557 . 1 1 47 47 ALA HA H 1 4.38 0.005 . 1 . . . . 47 ALA HA . 7103 1 558 . 1 1 47 47 ALA HB1 H 1 1.15 0.005 . 1 . . . . 47 ALA HB . 7103 1 559 . 1 1 47 47 ALA HB2 H 1 1.15 0.005 . 1 . . . . 47 ALA HB . 7103 1 560 . 1 1 47 47 ALA HB3 H 1 1.15 0.005 . 1 . . . . 47 ALA HB . 7103 1 561 . 1 1 47 47 ALA CA C 13 51.2 0.2 . 1 . . . . 47 ALA CA . 7103 1 562 . 1 1 47 47 ALA CB C 13 18.4 0.2 . 1 . . . . 47 ALA CB . 7103 1 563 . 1 1 47 47 ALA N N 15 121.9 0.2 . 1 . . . . 47 ALA N . 7103 1 564 . 1 1 48 48 PRO HA H 1 4.54 0.005 . 1 . . . . 48 PRO HA . 7103 1 565 . 1 1 48 48 PRO HB2 H 1 2.27 0.005 . 2 . . . . 48 PRO HB2 . 7103 1 566 . 1 1 48 48 PRO HB3 H 1 1.77 0.005 . 2 . . . . 48 PRO HB3 . 7103 1 567 . 1 1 48 48 PRO HG2 H 1 1.18 0.005 . 2 . . . . 48 PRO HG2 . 7103 1 568 . 1 1 48 48 PRO HD2 H 1 3.4 0.005 . 2 . . . . 48 PRO HD2 . 7103 1 569 . 1 1 48 48 PRO HD3 H 1 3.31 0.005 . 2 . . . . 48 PRO HD3 . 7103 1 570 . 1 1 48 48 PRO C C 13 177.9 0.2 . 1 . . . . 48 PRO C . 7103 1 571 . 1 1 48 48 PRO CA C 13 62.8 0.2 . 1 . . . . 48 PRO CA . 7103 1 572 . 1 1 48 48 PRO CB C 13 31.7 0.2 . 1 . . . . 48 PRO CB . 7103 1 573 . 1 1 48 48 PRO CD C 13 50.0 0.2 . 1 . . . . 48 PRO CD . 7103 1 574 . 1 1 49 49 THR H H 1 8.17 0.005 . 1 . . . . 49 THR H . 7103 1 575 . 1 1 49 49 THR HA H 1 4.46 0.005 . 1 . . . . 49 THR HA . 7103 1 576 . 1 1 49 49 THR HB H 1 4.70 0.005 . 1 . . . . 49 THR HB . 7103 1 577 . 1 1 49 49 THR HG21 H 1 1.34 0.005 . 1 . . . . 49 THR HG2 . 7103 1 578 . 1 1 49 49 THR HG22 H 1 1.34 0.005 . 1 . . . . 49 THR HG2 . 7103 1 579 . 1 1 49 49 THR HG23 H 1 1.34 0.005 . 1 . . . . 49 THR HG2 . 7103 1 580 . 1 1 49 49 THR C C 13 175.3 0.2 . 1 . . . . 49 THR C . 7103 1 581 . 1 1 49 49 THR CA C 13 59.9 0.2 . 1 . . . . 49 THR CA . 7103 1 582 . 1 1 49 49 THR CB C 13 71.4 0.2 . 1 . . . . 49 THR CB . 7103 1 583 . 1 1 49 49 THR CG2 C 13 22.1 0.2 . 1 . . . . 49 THR CG2 . 7103 1 584 . 1 1 49 49 THR N N 15 111.9 0.2 . 1 . . . . 49 THR N . 7103 1 585 . 1 1 50 50 ALA H H 1 8.94 0.005 . 1 . . . . 50 ALA H . 7103 1 586 . 1 1 50 50 ALA HA H 1 3.87 0.005 . 1 . . . . 50 ALA HA . 7103 1 587 . 1 1 50 50 ALA HB1 H 1 1.51 0.005 . 1 . . . . 50 ALA HB . 7103 1 588 . 1 1 50 50 ALA HB2 H 1 1.51 0.005 . 1 . . . . 50 ALA HB . 7103 1 589 . 1 1 50 50 ALA HB3 H 1 1.51 0.005 . 1 . . . . 50 ALA HB . 7103 1 590 . 1 1 50 50 ALA C C 13 179.1 0.2 . 1 . . . . 50 ALA C . 7103 1 591 . 1 1 50 50 ALA CA C 13 56.3 0.2 . 1 . . . . 50 ALA CA . 7103 1 592 . 1 1 50 50 ALA CB C 13 18.1 0.2 . 1 . . . . 50 ALA CB . 7103 1 593 . 1 1 50 50 ALA N N 15 123.6 0.2 . 1 . . . . 50 ALA N . 7103 1 594 . 1 1 51 51 GLU H H 1 8.94 0.005 . 1 . . . . 51 GLU H . 7103 1 595 . 1 1 51 51 GLU HA H 1 3.96 0.005 . 1 . . . . 51 GLU HA . 7103 1 596 . 1 1 51 51 GLU HB2 H 1 2.08 0.005 . 2 . . . . 51 GLU HB2 . 7103 1 597 . 1 1 51 51 GLU HB3 H 1 1.96 0.005 . 2 . . . . 51 GLU HB3 . 7103 1 598 . 1 1 51 51 GLU HG2 H 1 2.44 0.005 . 2 . . . . 51 GLU HG2 . 7103 1 599 . 1 1 51 51 GLU HG3 H 1 2.34 0.005 . 2 . . . . 51 GLU HG3 . 7103 1 600 . 1 1 51 51 GLU C C 13 179.6 0.2 . 1 . . . . 51 GLU C . 7103 1 601 . 1 1 51 51 GLU CA C 13 60.4 0.2 . 1 . . . . 51 GLU CA . 7103 1 602 . 1 1 51 51 GLU CB C 13 29.1 0.2 . 1 . . . . 51 GLU CB . 7103 1 603 . 1 1 51 51 GLU CG C 13 37.2 0.2 . 1 . . . . 51 GLU CG . 7103 1 604 . 1 1 51 51 GLU N N 15 114.4 0.2 . 1 . . . . 51 GLU N . 7103 1 605 . 1 1 52 52 THR H H 1 7.76 0.005 . 1 . . . . 52 THR H . 7103 1 606 . 1 1 52 52 THR HA H 1 4.00 0.005 . 1 . . . . 52 THR HA . 7103 1 607 . 1 1 52 52 THR HB H 1 4.40 0.005 . 1 . . . . 52 THR HB . 7103 1 608 . 1 1 52 52 THR HG21 H 1 1.26 0.005 . 1 . . . . 52 THR HG2 . 7103 1 609 . 1 1 52 52 THR HG22 H 1 1.26 0.005 . 1 . . . . 52 THR HG2 . 7103 1 610 . 1 1 52 52 THR HG23 H 1 1.26 0.005 . 1 . . . . 52 THR HG2 . 7103 1 611 . 1 1 52 52 THR C C 13 176.7 0.2 . 1 . . . . 52 THR C . 7103 1 612 . 1 1 52 52 THR CA C 13 65.9 0.2 . 1 . . . . 52 THR CA . 7103 1 613 . 1 1 52 52 THR CB C 13 68.3 0.2 . 1 . . . . 52 THR CB . 7103 1 614 . 1 1 52 52 THR CG2 C 13 22.1 0.2 . 1 . . . . 52 THR CG2 . 7103 1 615 . 1 1 52 52 THR N N 15 117.3 0.2 . 1 . . . . 52 THR N . 7103 1 616 . 1 1 53 53 VAL H H 1 7.98 0.005 . 1 . . . . 53 VAL H . 7103 1 617 . 1 1 53 53 VAL HA H 1 3.57 0.005 . 1 . . . . 53 VAL HA . 7103 1 618 . 1 1 53 53 VAL HB H 1 2.25 0.005 . 1 . . . . 53 VAL HB . 7103 1 619 . 1 1 53 53 VAL HG11 H 1 1.00 0.005 . 1 . . . . 53 VAL HG1 . 7103 1 620 . 1 1 53 53 VAL HG12 H 1 1.00 0.005 . 1 . . . . 53 VAL HG1 . 7103 1 621 . 1 1 53 53 VAL HG13 H 1 1.00 0.005 . 1 . . . . 53 VAL HG1 . 7103 1 622 . 1 1 53 53 VAL HG21 H 1 0.81 0.005 . 1 . . . . 53 VAL HG2 . 7103 1 623 . 1 1 53 53 VAL HG22 H 1 0.81 0.005 . 1 . . . . 53 VAL HG2 . 7103 1 624 . 1 1 53 53 VAL HG23 H 1 0.81 0.005 . 1 . . . . 53 VAL HG2 . 7103 1 625 . 1 1 53 53 VAL C C 13 177.0 0.2 . 1 . . . . 53 VAL C . 7103 1 626 . 1 1 53 53 VAL CA C 13 66.9 0.2 . 1 . . . . 53 VAL CA . 7103 1 627 . 1 1 53 53 VAL CB C 13 31.6 0.2 . 1 . . . . 53 VAL CB . 7103 1 628 . 1 1 53 53 VAL CG1 C 13 22.8 0.2 . 1 . . . . 53 VAL CG1 . 7103 1 629 . 1 1 53 53 VAL CG2 C 13 22.4 0.2 . 1 . . . . 53 VAL CG2 . 7103 1 630 . 1 1 53 53 VAL N N 15 123.4 0.2 . 1 . . . . 53 VAL N . 7103 1 631 . 1 1 54 54 ILE H H 1 8.13 0.005 . 1 . . . . 54 ILE H . 7103 1 632 . 1 1 54 54 ILE HA H 1 3.34 0.005 . 1 . . . . 54 ILE HA . 7103 1 633 . 1 1 54 54 ILE HB H 1 1.83 0.005 . 1 . . . . 54 ILE HB . 7103 1 634 . 1 1 54 54 ILE HG12 H 1 1.15 0.005 . 2 . . . . 54 ILE HG12 . 7103 1 635 . 1 1 54 54 ILE HG13 H 1 1.64 0.005 . 2 . . . . 54 ILE HG13 . 7103 1 636 . 1 1 54 54 ILE HG21 H 1 0.91 0.005 . 1 . . . . 54 ILE HG2 . 7103 1 637 . 1 1 54 54 ILE HG22 H 1 0.91 0.005 . 1 . . . . 54 ILE HG2 . 7103 1 638 . 1 1 54 54 ILE HG23 H 1 0.91 0.005 . 1 . . . . 54 ILE HG2 . 7103 1 639 . 1 1 54 54 ILE HD11 H 1 0.86 0.005 . 1 . . . . 54 ILE HD1 . 7103 1 640 . 1 1 54 54 ILE HD12 H 1 0.86 0.005 . 1 . . . . 54 ILE HD1 . 7103 1 641 . 1 1 54 54 ILE HD13 H 1 0.86 0.005 . 1 . . . . 54 ILE HD1 . 7103 1 642 . 1 1 54 54 ILE C C 13 176.9 0.2 . 1 . . . . 54 ILE C . 7103 1 643 . 1 1 54 54 ILE CA C 13 64.4 0.2 . 1 . . . . 54 ILE CA . 7103 1 644 . 1 1 54 54 ILE CB C 13 37.2 0.2 . 1 . . . . 54 ILE CB . 7103 1 645 . 1 1 54 54 ILE CG1 C 13 29.0 0.2 . 1 . . . . 54 ILE CG1 . 7103 1 646 . 1 1 54 54 ILE CG2 C 13 17.6 0.2 . 1 . . . . 54 ILE CG2 . 7103 1 647 . 1 1 54 54 ILE CD1 C 13 12.6 0.2 . 1 . . . . 54 ILE CD1 . 7103 1 648 . 1 1 54 54 ILE N N 15 118.1 0.2 . 1 . . . . 54 ILE N . 7103 1 649 . 1 1 55 55 ALA H H 1 7.71 0.005 . 1 . . . . 55 ALA H . 7103 1 650 . 1 1 55 55 ALA HA H 1 4.20 0.005 . 1 . . . . 55 ALA HA . 7103 1 651 . 1 1 55 55 ALA HB1 H 1 1.46 0.005 . 1 . . . . 55 ALA HB . 7103 1 652 . 1 1 55 55 ALA HB2 H 1 1.46 0.005 . 1 . . . . 55 ALA HB . 7103 1 653 . 1 1 55 55 ALA HB3 H 1 1.46 0.005 . 1 . . . . 55 ALA HB . 7103 1 654 . 1 1 55 55 ALA C C 13 181.3 0.2 . 1 . . . . 55 ALA C . 7103 1 655 . 1 1 55 55 ALA CA C 13 55.1 0.2 . 1 . . . . 55 ALA CA . 7103 1 656 . 1 1 55 55 ALA CB C 13 18.1 0.2 . 9 . . . . 55 ALA CB . 7103 1 657 . 1 1 55 55 ALA N N 15 117.7 0.2 . 1 . . . . 55 ALA N . 7103 1 658 . 1 1 56 56 ALA H H 1 7.90 0.005 . 1 . . . . 56 ALA H . 7103 1 659 . 1 1 56 56 ALA HA H 1 4.01 0.005 . 1 . . . . 56 ALA HA . 7103 1 660 . 1 1 56 56 ALA HB1 H 1 1.20 0.005 . 1 . . . . 56 ALA HB . 7103 1 661 . 1 1 56 56 ALA HB2 H 1 1.20 0.005 . 1 . . . . 56 ALA HB . 7103 1 662 . 1 1 56 56 ALA HB3 H 1 1.20 0.005 . 1 . . . . 56 ALA HB . 7103 1 663 . 1 1 56 56 ALA C C 13 178.5 0.2 . 1 . . . . 56 ALA C . 7103 1 664 . 1 1 56 56 ALA CA C 13 54.5 0.2 . 1 . . . . 56 ALA CA . 7103 1 665 . 1 1 56 56 ALA CB C 13 19.3 0.2 . 1 . . . . 56 ALA CB . 7103 1 666 . 1 1 56 56 ALA N N 15 119.4 0.2 . 1 . . . . 56 ALA N . 7103 1 667 . 1 1 57 57 TYR H H 1 7.47 0.005 . 1 . . . . 57 TYR H . 7103 1 668 . 1 1 57 57 TYR HA H 1 4.74 0.005 . 1 . . . . 57 TYR HA . 7103 1 669 . 1 1 57 57 TYR HB2 H 1 3.32 0.005 . 2 . . . . 57 TYR HB2 . 7103 1 670 . 1 1 57 57 TYR HB3 H 1 2.47 0.005 . 2 . . . . 57 TYR HB3 . 7103 1 671 . 1 1 57 57 TYR HD1 H 1 7.19 0.005 . 1 . . . . 57 TYR HD1 . 7103 1 672 . 1 1 57 57 TYR HD2 H 1 7.19 0.005 . 1 . . . . 57 TYR HD2 . 7103 1 673 . 1 1 57 57 TYR HE1 H 1 6.97 0.005 . 1 . . . . 57 TYR HE1 . 7103 1 674 . 1 1 57 57 TYR HE2 H 1 6.97 0.005 . 1 . . . . 57 TYR HE2 . 7103 1 675 . 1 1 57 57 TYR HH H 1 7.00 0.005 . 9 . . . . 57 TYR HH . 7103 1 676 . 1 1 57 57 TYR C C 13 176.0 0.2 . 1 . . . . 57 TYR C . 7103 1 677 . 1 1 57 57 TYR CA C 13 59.2 0.2 . 1 . . . . 57 TYR CA . 7103 1 678 . 1 1 57 57 TYR CB C 13 37.9 0.2 . 1 . . . . 57 TYR CB . 7103 1 679 . 1 1 57 57 TYR CD1 C 13 132.9 0.2 . 1 . . . . 57 TYR CD1 . 7103 1 680 . 1 1 57 57 TYR CD2 C 13 132.9 0.2 . 1 . . . . 57 TYR CD2 . 7103 1 681 . 1 1 57 57 TYR CE1 C 13 118.0 0.2 . 1 . . . . 57 TYR CE1 . 7103 1 682 . 1 1 57 57 TYR CE2 C 13 118.0 0.2 . 1 . . . . 57 TYR CE2 . 7103 1 683 . 1 1 57 57 TYR N N 15 110.9 0.2 . 1 . . . . 57 TYR N . 7103 1 684 . 1 1 58 58 GLN H H 1 7.54 0.005 . 1 . . . . 58 GLN H . 7103 1 685 . 1 1 58 58 GLN HA H 1 3.56 0.005 . 1 . . . . 58 GLN HA . 7103 1 686 . 1 1 58 58 GLN HB2 H 1 2.51 0.005 . 2 . . . . 58 GLN HB2 . 7103 1 687 . 1 1 58 58 GLN HB3 H 1 1.97 0.005 . 2 . . . . 58 GLN HB3 . 7103 1 688 . 1 1 58 58 GLN HG2 H 1 2.35 0.005 . 2 . . . . 58 GLN HG2 . 7103 1 689 . 1 1 58 58 GLN HG3 H 1 2.27 0.005 . 2 . . . . 58 GLN HG3 . 7103 1 690 . 1 1 58 58 GLN HE21 H 1 7.76 0.005 . 2 . . . . 58 GLN HE21 . 7103 1 691 . 1 1 58 58 GLN HE22 H 1 5.26 0.005 . 2 . . . . 58 GLN HE22 . 7103 1 692 . 1 1 58 58 GLN C C 13 176.2 0.2 . 1 . . . . 58 GLN C . 7103 1 693 . 1 1 58 58 GLN CA C 13 59.0 0.2 . 1 . . . . 58 GLN CA . 7103 1 694 . 1 1 58 58 GLN CB C 13 29.2 0.2 . 1 . . . . 58 GLN CB . 7103 1 695 . 1 1 58 58 GLN CG C 13 33.2 0.2 . 1 . . . . 58 GLN CG . 7103 1 696 . 1 1 58 58 GLN N N 15 124.6 0.2 . 1 . . . . 58 GLN N . 7103 1 697 . 1 1 58 58 GLN NE2 N 15 112.7 0.2 . 1 . . . . 58 GLN NE2 . 7103 1 698 . 1 1 59 59 HIS H H 1 8.53 0.005 . 1 . . . . 59 HIS H . 7103 1 699 . 1 1 59 59 HIS HA H 1 4.37 0.005 . 1 . . . . 59 HIS HA . 7103 1 700 . 1 1 59 59 HIS HB2 H 1 3.5 0.005 . 2 . . . . 59 HIS HB2 . 7103 1 701 . 1 1 59 59 HIS HD1 H 1 7.00 0.005 . 9 . . . . 59 HIS HD1 . 7103 1 702 . 1 1 59 59 HIS HD2 H 1 6.97 0.005 . 1 . . . . 59 HIS HD2 . 7103 1 703 . 1 1 59 59 HIS HE1 H 1 7.86 0.005 . 1 . . . . 59 HIS HE1 . 7103 1 704 . 1 1 59 59 HIS HE2 H 1 7.22 0.005 . 9 . . . . 59 HIS HE2 . 7103 1 705 . 1 1 59 59 HIS C C 13 177.3 0.2 . 1 . . . . 59 HIS C . 7103 1 706 . 1 1 59 59 HIS CA C 13 59.0 0.2 . 1 . . . . 59 HIS CA . 7103 1 707 . 1 1 59 59 HIS CB C 13 29.1 0.2 . 1 . . . . 59 HIS CB . 7103 1 708 . 1 1 59 59 HIS CD2 C 13 119.4 0.2 . 1 . . . . 59 HIS CD2 . 7103 1 709 . 1 1 59 59 HIS CE1 C 13 138.9 0.2 . 1 . . . . 59 HIS CE1 . 7103 1 710 . 1 1 59 59 HIS N N 15 114.4 0.2 . 1 . . . . 59 HIS N . 7103 1 711 . 1 1 59 59 HIS ND1 N 15 119.4 0.2 . 1 . . . . 59 HIS ND1 . 7103 1 712 . 1 1 60 60 ALA H H 1 6.57 0.005 . 1 . . . . 60 ALA H . 7103 1 713 . 1 1 60 60 ALA HA H 1 4.04 0.005 . 1 . . . . 60 ALA HA . 7103 1 714 . 1 1 60 60 ALA HB1 H 1 1.31 0.005 . 1 . . . . 60 ALA HB . 7103 1 715 . 1 1 60 60 ALA HB2 H 1 1.31 0.005 . 1 . . . . 60 ALA HB . 7103 1 716 . 1 1 60 60 ALA HB3 H 1 1.31 0.005 . 1 . . . . 60 ALA HB . 7103 1 717 . 1 1 60 60 ALA C C 13 178.7 0.2 . 1 . . . . 60 ALA C . 7103 1 718 . 1 1 60 60 ALA CA C 13 54.4 0.2 . 1 . . . . 60 ALA CA . 7103 1 719 . 1 1 60 60 ALA CB C 13 18.1 0.2 . 1 . . . . 60 ALA CB . 7103 1 720 . 1 1 60 60 ALA N N 15 125.5 0.2 . 1 . . . . 60 ALA N . 7103 1 721 . 1 1 61 61 ILE H H 1 7.59 0.005 . 1 . . . . 61 ILE H . 7103 1 722 . 1 1 61 61 ILE HA H 1 3.10 0.005 . 1 . . . . 61 ILE HA . 7103 1 723 . 1 1 61 61 ILE HB H 1 1.34 0.005 . 1 . . . . 61 ILE HB . 7103 1 724 . 1 1 61 61 ILE HG12 H 1 0.37 0.005 . 2 . . . . 61 ILE HG12 . 7103 1 725 . 1 1 61 61 ILE HG13 H 1 1.37 0.005 . 2 . . . . 61 ILE HG13 . 7103 1 726 . 1 1 61 61 ILE HG21 H 1 -0.45 0.005 . 1 . . . . 61 ILE HG2 . 7103 1 727 . 1 1 61 61 ILE HG22 H 1 -0.45 0.005 . 1 . . . . 61 ILE HG2 . 7103 1 728 . 1 1 61 61 ILE HG23 H 1 -0.45 0.005 . 1 . . . . 61 ILE HG2 . 7103 1 729 . 1 1 61 61 ILE HD11 H 1 0.29 0.005 . 1 . . . . 61 ILE HD1 . 7103 1 730 . 1 1 61 61 ILE HD12 H 1 0.29 0.005 . 1 . . . . 61 ILE HD1 . 7103 1 731 . 1 1 61 61 ILE HD13 H 1 0.29 0.005 . 1 . . . . 61 ILE HD1 . 7103 1 732 . 1 1 61 61 ILE C C 13 177.5 0.2 . 1 . . . . 61 ILE C . 7103 1 733 . 1 1 61 61 ILE CA C 13 65.8 0.2 . 1 . . . . 61 ILE CA . 7103 1 734 . 1 1 61 61 ILE CB C 13 37.9 0.2 . 1 . . . . 61 ILE CB . 7103 1 735 . 1 1 61 61 ILE CG1 C 13 28.7 0.2 . 1 . . . . 61 ILE CG1 . 7103 1 736 . 1 1 61 61 ILE CG2 C 13 15.9 0.2 . 1 . . . . 61 ILE CG2 . 7103 1 737 . 1 1 61 61 ILE CD1 C 13 13.6 0.2 . 1 . . . . 61 ILE CD1 . 7103 1 738 . 1 1 61 61 ILE N N 15 118.8 0.2 . 1 . . . . 61 ILE N . 7103 1 739 . 1 1 62 62 ASP H H 1 8.76 0.005 . 1 . . . . 62 ASP H . 7103 1 740 . 1 1 62 62 ASP HA H 1 4.10 0.005 . 1 . . . . 62 ASP HA . 7103 1 741 . 1 1 62 62 ASP HB2 H 1 2.64 0.005 . 2 . . . . 62 ASP HB2 . 7103 1 742 . 1 1 62 62 ASP HB3 H 1 2.50 0.005 . 2 . . . . 62 ASP HB3 . 7103 1 743 . 1 1 62 62 ASP C C 13 179.4 0.2 . 1 . . . . 62 ASP C . 7103 1 744 . 1 1 62 62 ASP CA C 13 57.3 0.2 . 1 . . . . 62 ASP CA . 7103 1 745 . 1 1 62 62 ASP CB C 13 39.8 0.2 . 1 . . . . 62 ASP CB . 7103 1 746 . 1 1 62 62 ASP N N 15 117.6 0.2 . 1 . . . . 62 ASP N . 7103 1 747 . 1 1 63 63 LYS H H 1 7.29 0.005 . 1 . . . . 63 LYS H . 7103 1 748 . 1 1 63 63 LYS HA H 1 4.07 0.005 . 1 . . . . 63 LYS HA . 7103 1 749 . 1 1 63 63 LYS HB2 H 1 1.96 0.005 . 2 . . . . 63 LYS HB2 . 7103 1 750 . 1 1 63 63 LYS HB3 H 1 1.89 0.005 . 2 . . . . 63 LYS HB3 . 7103 1 751 . 1 1 63 63 LYS HG2 H 1 1.51 0.005 . 2 . . . . 63 LYS HG2 . 7103 1 752 . 1 1 63 63 LYS HG3 H 1 1.31 0.005 . 2 . . . . 63 LYS HG3 . 7103 1 753 . 1 1 63 63 LYS HD2 H 1 1.40 0.005 . 2 . . . . 63 LYS HD2 . 7103 1 754 . 1 1 63 63 LYS HD3 H 1 1.22 0.005 . 2 . . . . 63 LYS HD3 . 7103 1 755 . 1 1 63 63 LYS HE2 H 1 3.03 0.005 . 2 . . . . 63 LYS HE2 . 7103 1 756 . 1 1 63 63 LYS HE3 H 1 2.68 0.005 . 2 . . . . 63 LYS HE3 . 7103 1 757 . 1 1 63 63 LYS C C 13 178.9 0.2 . 1 . . . . 63 LYS C . 7103 1 758 . 1 1 63 63 LYS CA C 13 59.7 0.2 . 1 . . . . 63 LYS CA . 7103 1 759 . 1 1 63 63 LYS CB C 13 32.6 0.2 . 1 . . . . 63 LYS CB . 7103 1 760 . 1 1 63 63 LYS CG C 13 25.0 0.2 . 1 . . . . 63 LYS CG . 7103 1 761 . 1 1 63 63 LYS CE C 13 42.0 0.2 . 1 . . . . 63 LYS CE . 7103 1 762 . 1 1 63 63 LYS N N 15 120.9 0.2 . 1 . . . . 63 LYS N . 7103 1 763 . 1 1 64 64 LEU H H 1 7.68 0.005 . 1 . . . . 64 LEU H . 7103 1 764 . 1 1 64 64 LEU HA H 1 4.20 0.005 . 1 . . . . 64 LEU HA . 7103 1 765 . 1 1 64 64 LEU HB2 H 1 1.37 0.005 . 1 . . . . 64 LEU HB2 . 7103 1 766 . 1 1 64 64 LEU HB3 H 1 1.95 0.005 . 1 . . . . 64 LEU HB3 . 7103 1 767 . 1 1 64 64 LEU HG H 1 1.68 0.005 . 1 . . . . 64 LEU HG . 7103 1 768 . 1 1 64 64 LEU HD11 H 1 0.36 0.005 . 1 . . . . 64 LEU HD1 . 7103 1 769 . 1 1 64 64 LEU HD12 H 1 0.36 0.005 . 1 . . . . 64 LEU HD1 . 7103 1 770 . 1 1 64 64 LEU HD13 H 1 0.36 0.005 . 1 . . . . 64 LEU HD1 . 7103 1 771 . 1 1 64 64 LEU HD21 H 1 0.57 0.005 . 1 . . . . 64 LEU HD2 . 7103 1 772 . 1 1 64 64 LEU HD22 H 1 0.57 0.005 . 1 . . . . 64 LEU HD2 . 7103 1 773 . 1 1 64 64 LEU HD23 H 1 0.57 0.005 . 1 . . . . 64 LEU HD2 . 7103 1 774 . 1 1 64 64 LEU C C 13 172.8 0.2 . 1 . . . . 64 LEU C . 7103 1 775 . 1 1 64 64 LEU CA C 13 58.1 0.2 . 1 . . . . 64 LEU CA . 7103 1 776 . 1 1 64 64 LEU CB C 13 42.2 0.2 . 1 . . . . 64 LEU CB . 7103 1 777 . 1 1 64 64 LEU CG C 13 27.3 0.2 . 1 . . . . 64 LEU CG . 7103 1 778 . 1 1 64 64 LEU CD1 C 13 25.2 0.2 . 1 . . . . 64 LEU CD1 . 7103 1 779 . 1 1 64 64 LEU CD2 C 13 23.6 0.2 . 1 . . . . 64 LEU CD2 . 7103 1 780 . 1 1 64 64 LEU N N 15 121.7 0.2 . 1 . . . . 64 LEU N . 7103 1 781 . 1 1 65 65 VAL H H 1 8.91 0.005 . 1 . . . . 65 VAL H . 7103 1 782 . 1 1 65 65 VAL HA H 1 3.58 0.005 . 1 . . . . 65 VAL HA . 7103 1 783 . 1 1 65 65 VAL HB H 1 2.18 0.005 . 1 . . . . 65 VAL HB . 7103 1 784 . 1 1 65 65 VAL HG11 H 1 1.05 0.005 . 2 . . . . 65 VAL HG1 . 7103 1 785 . 1 1 65 65 VAL HG12 H 1 1.05 0.005 . 2 . . . . 65 VAL HG1 . 7103 1 786 . 1 1 65 65 VAL HG13 H 1 1.05 0.005 . 2 . . . . 65 VAL HG1 . 7103 1 787 . 1 1 65 65 VAL HG21 H 1 0.99 0.005 . 2 . . . . 65 VAL HG2 . 7103 1 788 . 1 1 65 65 VAL HG22 H 1 0.99 0.005 . 2 . . . . 65 VAL HG2 . 7103 1 789 . 1 1 65 65 VAL HG23 H 1 0.99 0.005 . 2 . . . . 65 VAL HG2 . 7103 1 790 . 1 1 65 65 VAL C C 13 179.0 0.2 . 1 . . . . 65 VAL C . 7103 1 791 . 1 1 65 65 VAL CA C 13 60.8 0.2 . 1 . . . . 65 VAL CA . 7103 1 792 . 1 1 65 65 VAL CG1 C 13 22.2 0.2 . 2 . . . . 65 VAL CG1 . 7103 1 793 . 1 1 65 65 VAL CG2 C 13 23.8 0.2 . 2 . . . . 65 VAL CG2 . 7103 1 794 . 1 1 65 65 VAL N N 15 121.7 0.2 . 1 . . . . 65 VAL N . 7103 1 795 . 1 1 66 66 ALA H H 1 7.93 0.005 . 1 . . . . 66 ALA H . 7103 1 796 . 1 1 66 66 ALA HA H 1 4.14 0.005 . 1 . . . . 66 ALA HA . 7103 1 797 . 1 1 66 66 ALA HB1 H 1 1.51 0.005 . 1 . . . . 66 ALA HB . 7103 1 798 . 1 1 66 66 ALA HB2 H 1 1.51 0.005 . 1 . . . . 66 ALA HB . 7103 1 799 . 1 1 66 66 ALA HB3 H 1 1.51 0.005 . 1 . . . . 66 ALA HB . 7103 1 800 . 1 1 66 66 ALA CA C 13 52.9 0.2 . 1 . . . . 66 ALA CA . 7103 1 801 . 1 1 66 66 ALA CB C 13 17.9 0.2 . 1 . . . . 66 ALA CB . 7103 1 802 . 1 1 66 66 ALA N N 15 121.9 0.2 . 1 . . . . 66 ALA N . 7103 1 803 . 1 1 67 67 GLU H H 1 8.20 0.005 . 9 . . . . 67 GLU H . 7103 1 804 . 1 1 67 67 GLU HA H 1 4.13 0.005 . 1 . . . . 67 GLU HA . 7103 1 805 . 1 1 67 67 GLU HG2 H 1 2.58 0.005 . 9 . . . . 67 GLU HG2 . 7103 1 806 . 1 1 67 67 GLU HG3 H 1 2.74 0.005 . 9 . . . . 67 GLU HG3 . 7103 1 807 . 1 1 67 67 GLU CA C 13 57.0 0.2 . 9 . . . . 67 GLU CA . 7103 1 808 . 1 1 67 67 GLU CG C 13 40.8 0.2 . 9 . . . . 67 GLU CG . 7103 1 809 . 1 1 67 67 GLU N N 15 118.5 0.2 . 9 . . . . 67 GLU N . 7103 1 810 . 1 1 68 68 LYS H H 1 7.76 0.005 . 1 . . . . 68 LYS H . 7103 1 811 . 1 1 68 68 LYS HA H 1 4.34 0.005 . 1 . . . . 68 LYS HA . 7103 1 812 . 1 1 68 68 LYS HB2 H 1 1.18 0.005 . 2 . . . . 68 LYS HB2 . 7103 1 813 . 1 1 68 68 LYS HB3 H 1 0.99 0.005 . 2 . . . . 68 LYS HB3 . 7103 1 814 . 1 1 68 68 LYS HG2 H 1 2.19 0.005 . 4 . . . . 68 LYS HG2 . 7103 1 815 . 1 1 68 68 LYS HG3 H 1 2.07 0.005 . 4 . . . . 68 LYS HG3 . 7103 1 816 . 1 1 68 68 LYS HE2 H 1 2.88 0.005 . 2 . . . . 68 LYS HE2 . 7103 1 817 . 1 1 68 68 LYS C C 13 177.3 0.2 . 1 . . . . 68 LYS C . 7103 1 818 . 1 1 68 68 LYS CA C 13 54.6 0.2 . 1 . . . . 68 LYS CA . 7103 1 819 . 1 1 68 68 LYS CB C 13 34.6 0.2 . 1 . . . . 68 LYS CB . 7103 1 820 . 1 1 68 68 LYS N N 15 114.1 0.2 . 1 . . . . 68 LYS N . 7103 1 821 . 1 1 69 69 GLY H H 1 8.37 0.005 . 1 . . . . 69 GLY H . 7103 1 822 . 1 1 69 69 GLY HA2 H 1 3.67 0.005 . 2 . . . . 69 GLY HA2 . 7103 1 823 . 1 1 69 69 GLY HA3 H 1 3.51 0.005 . 2 . . . . 69 GLY HA3 . 7103 1 824 . 1 1 69 69 GLY C C 13 177.3 0.2 . 1 . . . . 69 GLY C . 7103 1 825 . 1 1 69 69 GLY CA C 13 45.9 0.2 . 1 . . . . 69 GLY CA . 7103 1 826 . 1 1 69 69 GLY N N 15 108.4 0.2 . 1 . . . . 69 GLY N . 7103 1 827 . 1 1 70 70 TYR H H 1 6.10 0.005 . 9 . . . . 70 TYR H . 7103 1 828 . 1 1 70 70 TYR HB2 H 1 3.32 0.005 . 2 . . . . 70 TYR HB2 . 7103 1 829 . 1 1 70 70 TYR HB3 H 1 2.25 0.005 . 2 . . . . 70 TYR HB3 . 7103 1 830 . 1 1 70 70 TYR HD1 H 1 6.74 0.005 . 1 . . . . 70 TYR HD1 . 7103 1 831 . 1 1 70 70 TYR HD2 H 1 6.74 0.005 . 1 . . . . 70 TYR HD2 . 7103 1 832 . 1 1 70 70 TYR HE1 H 1 6.60 0.005 . 1 . . . . 70 TYR HE1 . 7103 1 833 . 1 1 70 70 TYR HE2 H 1 6.60 0.005 . 1 . . . . 70 TYR HE2 . 7103 1 834 . 1 1 70 70 TYR CB C 13 39.3 0.2 . 1 . . . . 70 TYR CB . 7103 1 835 . 1 1 70 70 TYR CD1 C 13 132.8 0.2 . 1 . . . . 70 TYR CD1 . 7103 1 836 . 1 1 70 70 TYR CD2 C 13 132.8 0.2 . 1 . . . . 70 TYR CD2 . 7103 1 837 . 1 1 70 70 TYR CE1 C 13 118.6 0.2 . 1 . . . . 70 TYR CE1 . 7103 1 838 . 1 1 70 70 TYR CE2 C 13 118.6 0.2 . 1 . . . . 70 TYR CE2 . 7103 1 839 . 1 1 72 72 SER H H 1 8.00 0.005 . 1 . . . . 72 SER H . 7103 1 840 . 1 1 72 72 SER HA H 1 3.98 0.005 . 1 . . . . 72 SER HA . 7103 1 841 . 1 1 72 72 SER HB2 H 1 2.93 0.005 . 2 . . . . 72 SER HB2 . 7103 1 842 . 1 1 72 72 SER HB3 H 1 2.21 0.005 . 2 . . . . 72 SER HB3 . 7103 1 843 . 1 1 72 72 SER C C 13 170.6 0.2 . 1 . . . . 72 SER C . 7103 1 844 . 1 1 72 72 SER CA C 13 57.3 0.2 . 1 . . . . 72 SER CA . 7103 1 845 . 1 1 72 72 SER CB C 13 66.2 0.2 . 1 . . . . 72 SER CB . 7103 1 846 . 1 1 72 72 SER N N 15 118.6 0.2 . 1 . . . . 72 SER N . 7103 1 847 . 1 1 73 73 TRP H H 1 7.21 0.005 . 1 . . . . 73 TRP H . 7103 1 848 . 1 1 73 73 TRP HA H 1 5.80 0.005 . 1 . . . . 73 TRP HA . 7103 1 849 . 1 1 73 73 TRP HB2 H 1 2.78 0.005 . 2 . . . . 73 TRP HB2 . 7103 1 850 . 1 1 73 73 TRP HB3 H 1 3.53 0.005 . 2 . . . . 73 TRP HB3 . 7103 1 851 . 1 1 73 73 TRP HD1 H 1 6.74 0.005 . 1 . . . . 73 TRP HD1 . 7103 1 852 . 1 1 73 73 TRP HE1 H 1 10.15 0.005 . 1 . . . . 73 TRP HE1 . 7103 1 853 . 1 1 73 73 TRP HE3 H 1 6.99 0.005 . 1 . . . . 73 TRP HE3 . 7103 1 854 . 1 1 73 73 TRP HZ2 H 1 7.46 0.005 . 1 . . . . 73 TRP HZ2 . 7103 1 855 . 1 1 73 73 TRP HZ3 H 1 6.74 0.005 . 1 . . . . 73 TRP HZ3 . 7103 1 856 . 1 1 73 73 TRP HH2 H 1 7.11 0.005 . 1 . . . . 73 TRP HH2 . 7103 1 857 . 1 1 73 73 TRP C C 13 174.8 0.2 . 1 . . . . 73 TRP C . 7103 1 858 . 1 1 73 73 TRP CA C 13 55.1 0.2 . 1 . . . . 73 TRP CA . 7103 1 859 . 1 1 73 73 TRP CB C 13 30.9 0.2 . 1 . . . . 73 TRP CB . 7103 1 860 . 1 1 73 73 TRP CD1 C 13 125.9 0.2 . 1 . . . . 73 TRP CD1 . 7103 1 861 . 1 1 73 73 TRP CE3 C 13 120.6 0.2 . 1 . . . . 73 TRP CE3 . 7103 1 862 . 1 1 73 73 TRP CZ2 C 13 113.5 0.2 . 1 . . . . 73 TRP CZ2 . 7103 1 863 . 1 1 73 73 TRP CZ3 C 13 122.7 0.2 . 1 . . . . 73 TRP CZ3 . 7103 1 864 . 1 1 73 73 TRP CH2 C 13 124.1 0.2 . 1 . . . . 73 TRP CH2 . 7103 1 865 . 1 1 73 73 TRP N N 15 116.2 0.2 . 1 . . . . 73 TRP N . 7103 1 866 . 1 1 73 73 TRP NE1 N 15 128.6 0.2 . 1 . . . . 73 TRP NE1 . 7103 1 867 . 1 1 74 74 ASP H H 1 9.48 0.005 . 1 . . . . 74 ASP H . 7103 1 868 . 1 1 74 74 ASP HA H 1 4.78 0.005 . 1 . . . . 74 ASP HA . 7103 1 869 . 1 1 74 74 ASP HB2 H 1 3.01 0.005 . 2 . . . . 74 ASP HB2 . 7103 1 870 . 1 1 74 74 ASP HB3 H 1 2.81 0.005 . 2 . . . . 74 ASP HB3 . 7103 1 871 . 1 1 74 74 ASP C C 13 177.3 0.2 . 1 . . . . 74 ASP C . 7103 1 872 . 1 1 74 74 ASP CA C 13 53.3 0.2 . 1 . . . . 74 ASP CA . 7103 1 873 . 1 1 74 74 ASP CB C 13 43.3 0.2 . 1 . . . . 74 ASP CB . 7103 1 874 . 1 1 74 74 ASP N N 15 118.8 0.2 . 1 . . . . 74 ASP N . 7103 1 875 . 1 1 75 75 VAL H H 1 8.53 0.005 . 1 . . . . 75 VAL H . 7103 1 876 . 1 1 75 75 VAL HA H 1 4.69 0.005 . 1 . . . . 75 VAL HA . 7103 1 877 . 1 1 75 75 VAL HB H 1 1.87 0.005 . 1 . . . . 75 VAL HB . 7103 1 878 . 1 1 75 75 VAL HG11 H 1 0.71 0.005 . 2 . . . . 75 VAL HG1 . 7103 1 879 . 1 1 75 75 VAL HG12 H 1 0.71 0.005 . 2 . . . . 75 VAL HG1 . 7103 1 880 . 1 1 75 75 VAL HG13 H 1 0.71 0.005 . 2 . . . . 75 VAL HG1 . 7103 1 881 . 1 1 75 75 VAL HG21 H 1 1.02 0.005 . 2 . . . . 75 VAL HG2 . 7103 1 882 . 1 1 75 75 VAL HG22 H 1 1.02 0.005 . 2 . . . . 75 VAL HG2 . 7103 1 883 . 1 1 75 75 VAL HG23 H 1 1.02 0.005 . 2 . . . . 75 VAL HG2 . 7103 1 884 . 1 1 75 75 VAL C C 13 175.5 0.2 . 1 . . . . 75 VAL C . 7103 1 885 . 1 1 75 75 VAL CA C 13 61.6 0.2 . 1 . . . . 75 VAL CA . 7103 1 886 . 1 1 75 75 VAL CB C 13 34.7 0.2 . 1 . . . . 75 VAL CB . 7103 1 887 . 1 1 75 75 VAL CG1 C 13 21.5 0.2 . 2 . . . . 75 VAL CG1 . 7103 1 888 . 1 1 75 75 VAL CG2 C 13 22.6 0.2 . 2 . . . . 75 VAL CG2 . 7103 1 889 . 1 1 75 75 VAL N N 15 118.7 0.2 . 1 . . . . 75 VAL N . 7103 1 890 . 1 1 76 76 ILE H H 1 9.04 0.005 . 1 . . . . 76 ILE H . 7103 1 891 . 1 1 76 76 ILE HA H 1 4.12 0.005 . 1 . . . . 76 ILE HA . 7103 1 892 . 1 1 76 76 ILE HB H 1 1.47 0.005 . 1 . . . . 76 ILE HB . 7103 1 893 . 1 1 76 76 ILE HG12 H 1 0.61 0.005 . 2 . . . . 76 ILE HG12 . 7103 1 894 . 1 1 76 76 ILE HG13 H 1 1.31 0.005 . 2 . . . . 76 ILE HG13 . 7103 1 895 . 1 1 76 76 ILE HG21 H 1 0.45 0.005 . 1 . . . . 76 ILE HG2 . 7103 1 896 . 1 1 76 76 ILE HG22 H 1 0.45 0.005 . 1 . . . . 76 ILE HG2 . 7103 1 897 . 1 1 76 76 ILE HG23 H 1 0.45 0.005 . 1 . . . . 76 ILE HG2 . 7103 1 898 . 1 1 76 76 ILE HD11 H 1 0.5 0.005 . 1 . . . . 76 ILE HD1 . 7103 1 899 . 1 1 76 76 ILE HD12 H 1 0.5 0.005 . 1 . . . . 76 ILE HD1 . 7103 1 900 . 1 1 76 76 ILE HD13 H 1 0.5 0.005 . 1 . . . . 76 ILE HD1 . 7103 1 901 . 1 1 76 76 ILE CA C 13 59.9 0.2 . 1 . . . . 76 ILE CA . 7103 1 902 . 1 1 76 76 ILE CB C 13 40.0 0.2 . 1 . . . . 76 ILE CB . 7103 1 903 . 1 1 76 76 ILE CG1 C 13 26.1 0.2 . 1 . . . . 76 ILE CG1 . 7103 1 904 . 1 1 76 76 ILE CG2 C 13 17.6 0.2 . 1 . . . . 76 ILE CG2 . 7103 1 905 . 1 1 76 76 ILE CD1 C 13 13.7 0.2 . 1 . . . . 76 ILE CD1 . 7103 1 906 . 1 1 76 76 ILE N N 15 126.4 0.2 . 1 . . . . 76 ILE N . 7103 1 907 . 1 1 77 77 SER H H 1 8.26 0.005 . 1 . . . . 77 SER H . 7103 1 908 . 1 1 77 77 SER HA H 1 4.68 0.005 . 1 . . . . 77 SER HA . 7103 1 909 . 1 1 77 77 SER HB2 H 1 3.58 0.005 . 2 . . . . 77 SER HB2 . 7103 1 910 . 1 1 77 77 SER HB3 H 1 3.42 0.005 . 2 . . . . 77 SER HB3 . 7103 1 911 . 1 1 77 77 SER C C 13 172.9 0.2 . 1 . . . . 77 SER C . 7103 1 912 . 1 1 77 77 SER CA C 13 56.5 0.2 . 1 . . . . 77 SER CA . 7103 1 913 . 1 1 77 77 SER CB C 13 63.9 0.2 . 1 . . . . 77 SER CB . 7103 1 914 . 1 1 77 77 SER N N 15 120.6 0.2 . 1 . . . . 77 SER N . 7103 1 915 . 1 1 78 78 LEU H H 1 7.58 0.005 . 1 . . . . 78 LEU H . 7103 1 916 . 1 1 78 78 LEU HA H 1 4.36 0.005 . 1 . . . . 78 LEU HA . 7103 1 917 . 1 1 78 78 LEU HB2 H 1 1.17 0.005 . 2 . . . . 78 LEU HB2 . 7103 1 918 . 1 1 78 78 LEU HB3 H 1 0.83 0.005 . 2 . . . . 78 LEU HB3 . 7103 1 919 . 1 1 78 78 LEU HG H 1 1.25 0.005 . 1 . . . . 78 LEU HG . 7103 1 920 . 1 1 78 78 LEU HD11 H 1 0.74 0.005 . 2 . . . . 78 LEU HD1 . 7103 1 921 . 1 1 78 78 LEU HD12 H 1 0.74 0.005 . 2 . . . . 78 LEU HD1 . 7103 1 922 . 1 1 78 78 LEU HD13 H 1 0.74 0.005 . 2 . . . . 78 LEU HD1 . 7103 1 923 . 1 1 78 78 LEU HD21 H 1 0.69 0.005 . 2 . . . . 78 LEU HD2 . 7103 1 924 . 1 1 78 78 LEU HD22 H 1 0.69 0.005 . 2 . . . . 78 LEU HD2 . 7103 1 925 . 1 1 78 78 LEU HD23 H 1 0.69 0.005 . 2 . . . . 78 LEU HD2 . 7103 1 926 . 1 1 78 78 LEU C C 13 174.7 0.2 . 1 . . . . 78 LEU C . 7103 1 927 . 1 1 78 78 LEU CA C 13 53.8 0.2 . 1 . . . . 78 LEU CA . 7103 1 928 . 1 1 78 78 LEU CB C 13 43.0 0.2 . 1 . . . . 78 LEU CB . 7103 1 929 . 1 1 78 78 LEU CG C 13 27.3 0.2 . 1 . . . . 78 LEU CG . 7103 1 930 . 1 1 78 78 LEU CD1 C 13 24.5 0.2 . 2 . . . . 78 LEU CD1 . 7103 1 931 . 1 1 78 78 LEU CD2 C 13 25.2 0.2 . 2 . . . . 78 LEU CD2 . 7103 1 932 . 1 1 78 78 LEU N N 15 127.7 0.2 . 1 . . . . 78 LEU N . 7103 1 933 . 1 1 79 79 ARG H H 1 7.82 0.005 . 1 . . . . 79 ARG H . 7103 1 934 . 1 1 79 79 ARG HA H 1 4.63 0.005 . 1 . . . . 79 ARG HA . 7103 1 935 . 1 1 79 79 ARG HB2 H 1 1.84 0.005 . 2 . . . . 79 ARG HB2 . 7103 1 936 . 1 1 79 79 ARG HB3 H 1 1.60 0.005 . 2 . . . . 79 ARG HB3 . 7103 1 937 . 1 1 79 79 ARG HG2 H 1 1.44 0.005 . 2 . . . . 79 ARG HG2 . 7103 1 938 . 1 1 79 79 ARG HG3 H 1 1.4 0.005 . 2 . . . . 79 ARG HG3 . 7103 1 939 . 1 1 79 79 ARG HD2 H 1 3.05 0.005 . 2 . . . . 79 ARG HD2 . 7103 1 940 . 1 1 79 79 ARG C C 13 176.3 0.2 . 1 . . . . 79 ARG C . 7103 1 941 . 1 1 79 79 ARG CA C 13 54.6 0.2 . 1 . . . . 79 ARG CA . 7103 1 942 . 1 1 79 79 ARG CB C 13 32.7 0.2 . 1 . . . . 79 ARG CB . 7103 1 943 . 1 1 79 79 ARG N N 15 120.2 0.2 . 1 . . . . 79 ARG N . 7103 1 944 . 1 1 80 80 ALA H H 1 8.38 0.005 . 1 . . . . 80 ALA H . 7103 1 945 . 1 1 80 80 ALA HA H 1 4.07 0.005 . 1 . . . . 80 ALA HA . 7103 1 946 . 1 1 80 80 ALA HB1 H 1 1.38 0.005 . 1 . . . . 80 ALA HB . 7103 1 947 . 1 1 80 80 ALA HB2 H 1 1.38 0.005 . 1 . . . . 80 ALA HB . 7103 1 948 . 1 1 80 80 ALA HB3 H 1 1.38 0.005 . 1 . . . . 80 ALA HB . 7103 1 949 . 1 1 80 80 ALA C C 13 177.4 0.2 . 1 . . . . 80 ALA C . 7103 1 950 . 1 1 80 80 ALA CA C 13 54.6 0.2 . 1 . . . . 80 ALA CA . 7103 1 951 . 1 1 80 80 ALA CB C 13 18.7 0.2 . 1 . . . . 80 ALA CB . 7103 1 952 . 1 1 80 80 ALA N N 15 124.4 0.2 . 1 . . . . 80 ALA N . 7103 1 953 . 1 1 81 81 ASP H H 1 8.19 0.005 . 1 . . . . 81 ASP H . 7103 1 954 . 1 1 81 81 ASP HA H 1 4.07 0.005 . 1 . . . . 81 ASP HA . 7103 1 955 . 1 1 81 81 ASP HB2 H 1 2.83 0.005 . 2 . . . . 81 ASP HB2 . 7103 1 956 . 1 1 81 81 ASP HB3 H 1 2.57 0.005 . 2 . . . . 81 ASP HB3 . 7103 1 957 . 1 1 81 81 ASP C C 13 175.8 0.2 . 1 . . . . 81 ASP C . 7103 1 958 . 1 1 81 81 ASP CA C 13 53.2 0.2 . 1 . . . . 81 ASP CA . 7103 1 959 . 1 1 81 81 ASP CB C 13 39.9 0.2 . 1 . . . . 81 ASP CB . 7103 1 960 . 1 1 81 81 ASP N N 15 114.7 0.2 . 1 . . . . 81 ASP N . 7103 1 961 . 1 1 82 82 ASN H H 1 7.60 0.005 . 1 . . . . 82 ASN H . 7103 1 962 . 1 1 82 82 ASN HA H 1 4.88 0.005 . 1 . . . . 82 ASN HA . 7103 1 963 . 1 1 82 82 ASN HB2 H 1 2.82 0.005 . 2 . . . . 82 ASN HB2 . 7103 1 964 . 1 1 82 82 ASN HB3 H 1 2.72 0.005 . 2 . . . . 82 ASN HB3 . 7103 1 965 . 1 1 82 82 ASN HD21 H 1 7.82 0.005 . 2 . . . . 82 ASN HD21 . 7103 1 966 . 1 1 82 82 ASN HD22 H 1 6.97 0.005 . 2 . . . . 82 ASN HD22 . 7103 1 967 . 1 1 82 82 ASN CA C 13 51.8 0.2 . 1 . . . . 82 ASN CA . 7103 1 968 . 1 1 82 82 ASN CB C 13 39.2 0.2 . 1 . . . . 82 ASN CB . 7103 1 969 . 1 1 82 82 ASN N N 15 119.2 0.2 . 1 . . . . 82 ASN N . 7103 1 970 . 1 1 82 82 ASN ND2 N 15 113.0 0.2 . 1 . . . . 82 ASN ND2 . 7103 1 971 . 1 1 83 83 PRO HA H 1 4.44 0.005 . 1 . . . . 83 PRO HA . 7103 1 972 . 1 1 83 83 PRO HB2 H 1 2.36 0.005 . 2 . . . . 83 PRO HB2 . 7103 1 973 . 1 1 83 83 PRO HG2 H 1 2.03 0.005 . 2 . . . . 83 PRO HG2 . 7103 1 974 . 1 1 83 83 PRO HD2 H 1 3.93 0.005 . 2 . . . . 83 PRO HD2 . 7103 1 975 . 1 1 83 83 PRO HD3 H 1 3.77 0.005 . 2 . . . . 83 PRO HD3 . 7103 1 976 . 1 1 83 83 PRO C C 13 177.6 0.2 . 1 . . . . 83 PRO C . 7103 1 977 . 1 1 83 83 PRO CA C 13 64.1 0.2 . 1 . . . . 83 PRO CA . 7103 1 978 . 1 1 83 83 PRO CB C 13 32.0 0.2 . 1 . . . . 83 PRO CB . 7103 1 979 . 1 1 84 84 GLN H H 1 8.35 0.005 . 1 . . . . 84 GLN H . 7103 1 980 . 1 1 84 84 GLN HA H 1 4.53 0.005 . 1 . . . . 84 GLN HA . 7103 1 981 . 1 1 84 84 GLN HB2 H 1 2.32 0.005 . 2 . . . . 84 GLN HB2 . 7103 1 982 . 1 1 84 84 GLN HB3 H 1 1.96 0.005 . 2 . . . . 84 GLN HB3 . 7103 1 983 . 1 1 84 84 GLN HG2 H 1 2.14 0.005 . 2 . . . . 84 GLN HG2 . 7103 1 984 . 1 1 84 84 GLN HG3 H 1 2.06 0.005 . 2 . . . . 84 GLN HG3 . 7103 1 985 . 1 1 84 84 GLN HE21 H 1 6.70 0.005 . 2 . . . . 84 GLN HE21 . 7103 1 986 . 1 1 84 84 GLN C C 13 176.2 0.2 . 1 . . . . 84 GLN C . 7103 1 987 . 1 1 84 84 GLN CA C 13 55.5 0.2 . 1 . . . . 84 GLN CA . 7103 1 988 . 1 1 84 84 GLN CB C 13 28.8 0.2 . 1 . . . . 84 GLN CB . 7103 1 989 . 1 1 84 84 GLN N N 15 118.3 0.2 . 1 . . . . 84 GLN N . 7103 1 990 . 1 1 84 84 GLN NE2 N 15 110.3 0.2 . 1 . . . . 84 GLN NE2 . 7103 1 991 . 1 1 85 85 LYS H H 1 7.96 0.005 . 1 . . . . 85 LYS H . 7103 1 992 . 1 1 85 85 LYS HA H 1 4.06 0.005 . 1 . . . . 85 LYS HA . 7103 1 993 . 1 1 85 85 LYS HB2 H 1 1.93 0.005 . 2 . . . . 85 LYS HB2 . 7103 1 994 . 1 1 85 85 LYS HB3 H 1 1.74 0.005 . 2 . . . . 85 LYS HB3 . 7103 1 995 . 1 1 85 85 LYS HG2 H 1 1.46 0.005 . 2 . . . . 85 LYS HG2 . 7103 1 996 . 1 1 85 85 LYS HD2 H 1 2.32 0.005 . 2 . . . . 85 LYS HD2 . 7103 1 997 . 1 1 85 85 LYS HD3 H 1 1.67 0.005 . 2 . . . . 85 LYS HD3 . 7103 1 998 . 1 1 85 85 LYS C C 13 177.3 0.2 . 1 . . . . 85 LYS C . 7103 1 999 . 1 1 85 85 LYS CA C 13 58.8 0.2 . 1 . . . . 85 LYS CA . 7103 1 1000 . 1 1 85 85 LYS CB C 13 32.4 0.2 . 1 . . . . 85 LYS CB . 7103 1 1001 . 1 1 85 85 LYS CG C 13 24.5 0.2 . 1 . . . . 85 LYS CG . 7103 1 1002 . 1 1 85 85 LYS CE C 13 42.3 0.2 . 1 . . . . 85 LYS CE . 7103 1 1003 . 1 1 85 85 LYS N N 15 120.0 0.2 . 1 . . . . 85 LYS N . 7103 1 1004 . 1 1 86 86 GLU H H 1 8.58 0.005 . 1 . . . . 86 GLU H . 7103 1 1005 . 1 1 86 86 GLU HA H 1 4.10 0.005 . 1 . . . . 86 GLU HA . 7103 1 1006 . 1 1 86 86 GLU HB2 H 1 2.14 0.005 . 2 . . . . 86 GLU HB2 . 7103 1 1007 . 1 1 86 86 GLU HB3 H 1 2.05 0.005 . 2 . . . . 86 GLU HB3 . 7103 1 1008 . 1 1 86 86 GLU HG2 H 1 2.31 0.005 . 2 . . . . 86 GLU HG2 . 7103 1 1009 . 1 1 86 86 GLU C C 13 178.0 0.2 . 1 . . . . 86 GLU C . 7103 1 1010 . 1 1 86 86 GLU CA C 13 59.1 0.2 . 1 . . . . 86 GLU CA . 7103 1 1011 . 1 1 86 86 GLU CB C 13 29.2 0.2 . 1 . . . . 86 GLU CB . 7103 1 1012 . 1 1 86 86 GLU CG C 13 36.5 0.2 . 1 . . . . 86 GLU CG . 7103 1 1013 . 1 1 86 86 GLU N N 15 120.9 0.2 . 1 . . . . 86 GLU N . 7103 1 1014 . 1 1 87 87 ALA H H 1 8.11 0.005 . 1 . . . . 87 ALA H . 7103 1 1015 . 1 1 87 87 ALA HA H 1 4.20 0.005 . 1 . . . . 87 ALA HA . 7103 1 1016 . 1 1 87 87 ALA HB1 H 1 1.45 0.005 . 1 . . . . 87 ALA HB . 7103 1 1017 . 1 1 87 87 ALA HB2 H 1 1.45 0.005 . 1 . . . . 87 ALA HB . 7103 1 1018 . 1 1 87 87 ALA HB3 H 1 1.45 0.005 . 1 . . . . 87 ALA HB . 7103 1 1019 . 1 1 87 87 ALA C C 13 180.1 0.2 . 1 . . . . 87 ALA C . 7103 1 1020 . 1 1 87 87 ALA CA C 13 54.5 0.2 . 1 . . . . 87 ALA CA . 7103 1 1021 . 1 1 87 87 ALA CB C 13 18.6 0.2 . 1 . . . . 87 ALA CB . 7103 1 1022 . 1 1 87 87 ALA N N 15 123.0 0.2 . 1 . . . . 87 ALA N . 7103 1 1023 . 1 1 88 88 LEU H H 1 8.01 0.005 . 1 . . . . 88 LEU H . 7103 1 1024 . 1 1 88 88 LEU HA H 1 4.17 0.005 . 1 . . . . 88 LEU HA . 7103 1 1025 . 1 1 88 88 LEU HB2 H 1 1.50 0.005 . 2 . . . . 88 LEU HB2 . 7103 1 1026 . 1 1 88 88 LEU HB3 H 1 1.81 0.005 . 2 . . . . 88 LEU HB3 . 7103 1 1027 . 1 1 88 88 LEU HG H 1 0.91 0.005 . 1 . . . . 88 LEU HG . 7103 1 1028 . 1 1 88 88 LEU HD11 H 1 0.91 0.005 . 2 . . . . 88 LEU HD1 . 7103 1 1029 . 1 1 88 88 LEU HD12 H 1 0.91 0.005 . 2 . . . . 88 LEU HD1 . 7103 1 1030 . 1 1 88 88 LEU HD13 H 1 0.91 0.005 . 2 . . . . 88 LEU HD1 . 7103 1 1031 . 1 1 88 88 LEU HD21 H 1 0.77 0.005 . 2 . . . . 88 LEU HD2 . 7103 1 1032 . 1 1 88 88 LEU HD22 H 1 0.77 0.005 . 2 . . . . 88 LEU HD2 . 7103 1 1033 . 1 1 88 88 LEU HD23 H 1 0.77 0.005 . 2 . . . . 88 LEU HD2 . 7103 1 1034 . 1 1 88 88 LEU C C 13 178.1 0.2 . 1 . . . . 88 LEU C . 7103 1 1035 . 1 1 88 88 LEU CA C 13 56.8 0.2 . 1 . . . . 88 LEU CA . 7103 1 1036 . 1 1 88 88 LEU CB C 13 42.0 0.2 . 1 . . . . 88 LEU CB . 7103 1 1037 . 1 1 88 88 LEU CG C 13 26.0 0.2 . 1 . . . . 88 LEU CG . 7103 1 1038 . 1 1 88 88 LEU CD1 C 13 23.5 0.2 . 2 . . . . 88 LEU CD1 . 7103 1 1039 . 1 1 88 88 LEU N N 15 118.6 0.2 . 1 . . . . 88 LEU N . 7103 1 1040 . 1 1 89 89 ARG H H 1 8.07 0.005 . 1 . . . . 89 ARG H . 7103 1 1041 . 1 1 89 89 ARG HA H 1 4.04 0.005 . 1 . . . . 89 ARG HA . 7103 1 1042 . 1 1 89 89 ARG HB2 H 1 1.95 0.005 . 2 . . . . 89 ARG HB2 . 7103 1 1043 . 1 1 89 89 ARG HG2 H 1 1.74 0.005 . 2 . . . . 89 ARG HG2 . 7103 1 1044 . 1 1 89 89 ARG HD2 H 1 3.20 0.005 . 2 . . . . 89 ARG HD2 . 7103 1 1045 . 1 1 89 89 ARG HD3 H 1 3.02 0.005 . 9 . . . . 89 ARG HD3 . 7103 1 1046 . 1 1 89 89 ARG C C 13 178.0 0.2 . 1 . . . . 89 ARG C . 7103 1 1047 . 1 1 89 89 ARG CA C 13 59.3 0.2 . 1 . . . . 89 ARG CA . 7103 1 1048 . 1 1 89 89 ARG CB C 13 30.3 0.2 . 1 . . . . 89 ARG CB . 7103 1 1049 . 1 1 89 89 ARG CG C 13 27.6 0.2 . 1 . . . . 89 ARG CG . 7103 1 1050 . 1 1 89 89 ARG CD C 13 43.9 0.2 . 1 . . . . 89 ARG CD . 7103 1 1051 . 1 1 89 89 ARG N N 15 119.7 0.2 . 1 . . . . 89 ARG N . 7103 1 1052 . 1 1 90 90 GLU H H 1 7.94 0.005 . 1 . . . . 90 GLU H . 7103 1 1053 . 1 1 90 90 GLU HA H 1 3.95 0.005 . 1 . . . . 90 GLU HA . 7103 1 1054 . 1 1 90 90 GLU HB2 H 1 2.06 0.005 . 2 . . . . 90 GLU HB2 . 7103 1 1055 . 1 1 90 90 GLU HG2 H 1 2.32 0.005 . 2 . . . . 90 GLU HG2 . 7103 1 1056 . 1 1 90 90 GLU HG3 H 1 2.24 0.005 . 2 . . . . 90 GLU HG3 . 7103 1 1057 . 1 1 90 90 GLU C C 13 178.1 0.2 . 1 . . . . 90 GLU C . 7103 1 1058 . 1 1 90 90 GLU CA C 13 59.2 0.2 . 1 . . . . 90 GLU CA . 7103 1 1059 . 1 1 90 90 GLU CB C 13 29.5 0.2 . 1 . . . . 90 GLU CB . 7103 1 1060 . 1 1 90 90 GLU CG C 13 36.3 0.2 . 1 . . . . 90 GLU CG . 7103 1 1061 . 1 1 90 90 GLU N N 15 117.6 0.2 . 1 . . . . 90 GLU N . 7103 1 1062 . 1 1 91 91 LYS H H 1 7.70 0.005 . 1 . . . . 91 LYS H . 7103 1 1063 . 1 1 91 91 LYS HA H 1 3.98 0.005 . 1 . . . . 91 LYS HA . 7103 1 1064 . 1 1 91 91 LYS HB2 H 1 1.62 0.005 . 2 . . . . 91 LYS HB2 . 7103 1 1065 . 1 1 91 91 LYS HB3 H 1 1.48 0.005 . 2 . . . . 91 LYS HB3 . 7103 1 1066 . 1 1 91 91 LYS HG2 H 1 1.05 0.005 . 2 . . . . 91 LYS HG2 . 7103 1 1067 . 1 1 91 91 LYS HG3 H 1 0.86 0.005 . 2 . . . . 91 LYS HG3 . 7103 1 1068 . 1 1 91 91 LYS HD2 H 1 1.36 0.005 . 2 . . . . 91 LYS HD2 . 7103 1 1069 . 1 1 91 91 LYS HD3 H 1 1.16 0.005 . 2 . . . . 91 LYS HD3 . 7103 1 1070 . 1 1 91 91 LYS C C 13 178.3 0.2 . 1 . . . . 91 LYS C . 7103 1 1071 . 1 1 91 91 LYS CA C 13 58.6 0.2 . 1 . . . . 91 LYS CA . 7103 1 1072 . 1 1 91 91 LYS CB C 13 32.4 0.2 . 1 . . . . 91 LYS CB . 7103 1 1073 . 1 1 91 91 LYS CG C 13 24.5 0.2 . 1 . . . . 91 LYS CG . 7103 1 1074 . 1 1 91 91 LYS CD C 13 29.2 0.2 . 1 . . . . 91 LYS CD . 7103 1 1075 . 1 1 91 91 LYS CE C 13 41.9 0.2 . 1 . . . . 91 LYS CE . 7103 1 1076 . 1 1 91 91 LYS N N 15 117.9 0.2 . 1 . . . . 91 LYS N . 7103 1 1077 . 1 1 92 92 PHE H H 1 7.91 0.005 . 1 . . . . 92 PHE H . 7103 1 1078 . 1 1 92 92 PHE HA H 1 4.91 0.005 . 1 . . . . 92 PHE HA . 7103 1 1079 . 1 1 92 92 PHE HB2 H 1 3.56 0.005 . 2 . . . . 92 PHE HB2 . 7103 1 1080 . 1 1 92 92 PHE HB3 H 1 3.17 0.005 . 2 . . . . 92 PHE HB3 . 7103 1 1081 . 1 1 92 92 PHE HD1 H 1 7.26 0.005 . 1 . . . . 92 PHE HD1 . 7103 1 1082 . 1 1 92 92 PHE HD2 H 1 7.46 0.005 . 1 . . . . 92 PHE HD2 . 7103 1 1083 . 1 1 92 92 PHE HE1 H 1 7.60 0.005 . 1 . . . . 92 PHE HE1 . 7103 1 1084 . 1 1 92 92 PHE HE2 H 1 7.16 0.005 . 1 . . . . 92 PHE HE2 . 7103 1 1085 . 1 1 92 92 PHE HZ H 1 7.52 0.005 . 1 . . . . 92 PHE HZ . 7103 1 1086 . 1 1 92 92 PHE C C 13 176.8 0.2 . 1 . . . . 92 PHE C . 7103 1 1087 . 1 1 92 92 PHE CA C 13 59.3 0.2 . 1 . . . . 92 PHE CA . 7103 1 1088 . 1 1 92 92 PHE CB C 13 39.6 0.2 . 1 . . . . 92 PHE CB . 7103 1 1089 . 1 1 92 92 PHE CD1 C 13 131.6 0.2 . 1 . . . . 92 PHE CD1 . 7103 1 1090 . 1 1 92 92 PHE CD2 C 13 131.6 0.2 . 1 . . . . 92 PHE CD2 . 7103 1 1091 . 1 1 92 92 PHE CE1 C 13 131.3 0.2 . 1 . . . . 92 PHE CE1 . 7103 1 1092 . 1 1 92 92 PHE CE2 C 13 131.9 0.2 . 1 . . . . 92 PHE CE2 . 7103 1 1093 . 1 1 92 92 PHE CZ C 13 131.1 0.2 . 1 . . . . 92 PHE CZ . 7103 1 1094 . 1 1 92 92 PHE N N 15 114.3 0.2 . 1 . . . . 92 PHE N . 7103 1 1095 . 1 1 93 93 LEU H H 1 7.97 0.005 . 1 . . . . 93 LEU H . 7103 1 1096 . 1 1 93 93 LEU HA H 1 4.95 0.005 . 1 . . . . 93 LEU HA . 7103 1 1097 . 1 1 93 93 LEU HB2 H 1 1.94 0.005 . 2 . . . . 93 LEU HB2 . 7103 1 1098 . 1 1 93 93 LEU HB3 H 1 1.83 0.005 . 2 . . . . 93 LEU HB3 . 7103 1 1099 . 1 1 93 93 LEU HG H 1 0.93 0.005 . 1 . . . . 93 LEU HG . 7103 1 1100 . 1 1 93 93 LEU HD11 H 1 0.85 0.005 . 2 . . . . 93 LEU HD1 . 7103 1 1101 . 1 1 93 93 LEU HD12 H 1 0.85 0.005 . 2 . . . . 93 LEU HD1 . 7103 1 1102 . 1 1 93 93 LEU HD13 H 1 0.85 0.005 . 2 . . . . 93 LEU HD1 . 7103 1 1103 . 1 1 93 93 LEU HD21 H 1 0.96 0.005 . 2 . . . . 93 LEU HD2 . 7103 1 1104 . 1 1 93 93 LEU HD22 H 1 0.96 0.005 . 2 . . . . 93 LEU HD2 . 7103 1 1105 . 1 1 93 93 LEU HD23 H 1 0.96 0.005 . 2 . . . . 93 LEU HD2 . 7103 1 1106 . 1 1 93 93 LEU C C 13 175.9 0.2 . 1 . . . . 93 LEU C . 7103 1 1107 . 1 1 93 93 LEU CA C 13 56.0 0.2 . 1 . . . . 93 LEU CA . 7103 1 1108 . 1 1 93 93 LEU CB C 13 42.6 0.2 . 1 . . . . 93 LEU CB . 7103 1 1109 . 1 1 93 93 LEU CG C 13 25.6 0.2 . 1 . . . . 93 LEU CG . 7103 1 1110 . 1 1 93 93 LEU CD2 C 13 23.9 0.2 . 2 . . . . 93 LEU CD2 . 7103 1 1111 . 1 1 93 93 LEU N N 15 120.2 0.2 . 1 . . . . 93 LEU N . 7103 1 1112 . 1 1 94 94 ASN H H 1 7.43 0.005 . 1 . . . . 94 ASN H . 7103 1 1113 . 1 1 94 94 ASN HA H 1 4.72 0.005 . 1 . . . . 94 ASN HA . 7103 1 1114 . 1 1 94 94 ASN HB2 H 1 2.72 0.005 . 2 . . . . 94 ASN HB2 . 7103 1 1115 . 1 1 94 94 ASN HD21 H 1 7.70 0.005 . 2 . . . . 94 ASN HD21 . 7103 1 1116 . 1 1 94 94 ASN HD22 H 1 6.96 0.005 . 2 . . . . 94 ASN HD22 . 7103 1 1117 . 1 1 94 94 ASN C C 13 175.9 0.2 . 1 . . . . 94 ASN C . 7103 1 1118 . 1 1 94 94 ASN CA C 13 52.6 0.2 . 1 . . . . 94 ASN CA . 7103 1 1119 . 1 1 94 94 ASN CB C 13 40.7 0.2 . 1 . . . . 94 ASN CB . 7103 1 1120 . 1 1 94 94 ASN N N 15 116.2 0.2 . 1 . . . . 94 ASN N . 7103 1 1121 . 1 1 94 94 ASN ND2 N 15 113.9 0.2 . 1 . . . . 94 ASN ND2 . 7103 1 1122 . 1 1 95 95 GLU H H 1 8.30 0.005 . 1 . . . . 95 GLU H . 7103 1 1123 . 1 1 95 95 GLU HA H 1 4.25 0.005 . 1 . . . . 95 GLU HA . 7103 1 1124 . 1 1 95 95 GLU HB2 H 1 1.76 0.005 . 2 . . . . 95 GLU HB2 . 7103 1 1125 . 1 1 95 95 GLU HB3 H 1 1.69 0.005 . 2 . . . . 95 GLU HB3 . 7103 1 1126 . 1 1 95 95 GLU HG2 H 1 2.08 0.005 . 2 . . . . 95 GLU HG2 . 7103 1 1127 . 1 1 95 95 GLU HG3 H 1 2.01 0.005 . 2 . . . . 95 GLU HG3 . 7103 1 1128 . 1 1 95 95 GLU C C 13 175.6 0.2 . 1 . . . . 95 GLU C . 7103 1 1129 . 1 1 95 95 GLU CA C 13 57.9 0.2 . 1 . . . . 95 GLU CA . 7103 1 1130 . 1 1 95 95 GLU CB C 13 29.2 0.2 . 1 . . . . 95 GLU CB . 7103 1 1131 . 1 1 95 95 GLU CG C 13 36.5 0.2 . 1 . . . . 95 GLU CG . 7103 1 1132 . 1 1 95 95 GLU N N 15 121.0 0.2 . 1 . . . . 95 GLU N . 7103 1 1133 . 1 1 96 96 HIS H H 1 8.53 0.005 . 1 . . . . 96 HIS H . 7103 1 1134 . 1 1 96 96 HIS HA H 1 4.86 0.005 . 1 . . . . 96 HIS HA . 7103 1 1135 . 1 1 96 96 HIS HB2 H 1 2.98 0.005 . 2 . . . . 96 HIS HB2 . 7103 1 1136 . 1 1 96 96 HIS HB3 H 1 2.79 0.005 . 2 . . . . 96 HIS HB3 . 7103 1 1137 . 1 1 96 96 HIS HD2 H 1 7.98 0.005 . 1 . . . . 96 HIS HD2 . 7103 1 1138 . 1 1 96 96 HIS HE1 H 1 7.65 0.005 . 1 . . . . 96 HIS HE1 . 7103 1 1139 . 1 1 96 96 HIS C C 13 172.8 0.2 . 1 . . . . 96 HIS C . 7103 1 1140 . 1 1 96 96 HIS CA C 13 55.4 0.2 . 1 . . . . 96 HIS CA . 7103 1 1141 . 1 1 96 96 HIS CB C 13 33.6 0.2 . 1 . . . . 96 HIS CB . 7103 1 1142 . 1 1 96 96 HIS CD2 C 13 137.7 0.2 . 1 . . . . 96 HIS CD2 . 7103 1 1143 . 1 1 96 96 HIS CE1 C 13 138.6 0.2 . 1 . . . . 96 HIS CE1 . 7103 1 1144 . 1 1 96 96 HIS N N 15 125.2 0.2 . 1 . . . . 96 HIS N . 7103 1 1145 . 1 1 96 96 HIS ND1 N 15 120.3 0.2 . 1 . . . . 96 HIS ND1 . 7103 1 1146 . 1 1 97 97 THR H H 1 7.47 0.005 . 1 . . . . 97 THR H . 7103 1 1147 . 1 1 97 97 THR HA H 1 4.28 0.005 . 1 . . . . 97 THR HA . 7103 1 1148 . 1 1 97 97 THR HB H 1 3.75 0.005 . 1 . . . . 97 THR HB . 7103 1 1149 . 1 1 97 97 THR HG21 H 1 0.97 0.005 . 1 . . . . 97 THR HG2 . 7103 1 1150 . 1 1 97 97 THR HG22 H 1 0.97 0.005 . 1 . . . . 97 THR HG2 . 7103 1 1151 . 1 1 97 97 THR HG23 H 1 0.97 0.005 . 1 . . . . 97 THR HG2 . 7103 1 1152 . 1 1 97 97 THR C C 13 172.8 0.2 . 1 . . . . 97 THR C . 7103 1 1153 . 1 1 97 97 THR CA C 13 61.9 0.2 . 1 . . . . 97 THR CA . 7103 1 1154 . 1 1 97 97 THR CB C 13 70.5 0.2 . 1 . . . . 97 THR CB . 7103 1 1155 . 1 1 97 97 THR CG2 C 13 21.8 0.2 . 1 . . . . 97 THR CG2 . 7103 1 1156 . 1 1 97 97 THR N N 15 116.4 0.2 . 1 . . . . 97 THR N . 7103 1 1157 . 1 1 98 98 SER H H 1 9.35 0.005 . 1 . . . . 98 SER H . 7103 1 1158 . 1 1 98 98 SER HA H 1 4.73 0.005 . 1 . . . . 98 SER HA . 7103 1 1159 . 1 1 98 98 SER HB2 H 1 3.97 0.005 . 2 . . . . 98 SER HB2 . 7103 1 1160 . 1 1 98 98 SER HB3 H 1 3.91 0.005 . 2 . . . . 98 SER HB3 . 7103 1 1161 . 1 1 98 98 SER C C 13 174.3 0.2 . 1 . . . . 98 SER C . 7103 1 1162 . 1 1 98 98 SER CA C 13 55.9 0.2 . 1 . . . . 98 SER CA . 7103 1 1163 . 1 1 98 98 SER CB C 13 64.6 0.2 . 1 . . . . 98 SER CB . 7103 1 1164 . 1 1 98 98 SER N N 15 120.8 0.2 . 1 . . . . 98 SER N . 7103 1 1165 . 1 1 99 99 GLY H H 1 8.61 0.005 . 1 . . . . 99 GLY H . 7103 1 1166 . 1 1 99 99 GLY HA2 H 1 3.74 0.005 . 2 . . . . 99 GLY HA2 . 7103 1 1167 . 1 1 99 99 GLY HA3 H 1 3.65 0.005 . 2 . . . . 99 GLY HA3 . 7103 1 1168 . 1 1 99 99 GLY C C 13 172.4 0.2 . 1 . . . . 99 GLY C . 7103 1 1169 . 1 1 99 99 GLY CA C 13 45.3 0.2 . 1 . . . . 99 GLY CA . 7103 1 1170 . 1 1 99 99 GLY N N 15 112.0 0.2 . 1 . . . . 99 GLY N . 7103 1 1171 . 1 1 100 100 GLU H H 1 7.71 0.005 . 1 . . . . 100 GLU H . 7103 1 1172 . 1 1 100 100 GLU HA H 1 3.98 0.005 . 1 . . . . 100 GLU HA . 7103 1 1173 . 1 1 100 100 GLU HB2 H 1 2.20 0.005 . 2 . . . . 100 GLU HB2 . 7103 1 1174 . 1 1 100 100 GLU HB3 H 1 1.97 0.005 . 2 . . . . 100 GLU HB3 . 7103 1 1175 . 1 1 100 100 GLU HG2 H 1 2.44 0.005 . 2 . . . . 100 GLU HG2 . 7103 1 1176 . 1 1 100 100 GLU HG3 H 1 2.37 0.005 . 2 . . . . 100 GLU HG3 . 7103 1 1177 . 1 1 100 100 GLU CA C 13 54.9 0.2 . 1 . . . . 100 GLU CA . 7103 1 1178 . 1 1 100 100 GLU CB C 13 33.4 0.2 . 1 . . . . 100 GLU CB . 7103 1 1179 . 1 1 100 100 GLU CG C 13 37.2 0.2 . 1 . . . . 100 GLU CG . 7103 1 1180 . 1 1 100 100 GLU N N 15 117.7 0.2 . 1 . . . . 100 GLU N . 7103 1 1181 . 1 1 101 101 ASP H H 1 7.58 0.005 . 1 . . . . 101 ASP H . 7103 1 1182 . 1 1 101 101 ASP HA H 1 4.78 0.005 . 1 . . . . 101 ASP HA . 7103 1 1183 . 1 1 101 101 ASP HB2 H 1 2.82 0.005 . 2 . . . . 101 ASP HB2 . 7103 1 1184 . 1 1 101 101 ASP CA C 13 54.9 0.2 . 1 . . . . 101 ASP CA . 7103 1 1185 . 1 1 101 101 ASP CB C 13 42.4 0.2 . 1 . . . . 101 ASP CB . 7103 1 1186 . 1 1 101 101 ASP N N 15 124.5 0.2 . 1 . . . . 101 ASP N . 7103 1 1187 . 1 1 102 102 GLU H H 1 7.62 0.005 . 1 . . . . 102 GLU H . 7103 1 1188 . 1 1 102 102 GLU HA H 1 5.03 0.005 . 1 . . . . 102 GLU HA . 7103 1 1189 . 1 1 102 102 GLU HB2 H 1 2.20 0.005 . 2 . . . . 102 GLU HB2 . 7103 1 1190 . 1 1 102 102 GLU HB3 H 1 2.02 0.005 . 2 . . . . 102 GLU HB3 . 7103 1 1191 . 1 1 102 102 GLU HG2 H 1 2.63 0.005 . 2 . . . . 102 GLU HG2 . 7103 1 1192 . 1 1 102 102 GLU HG3 H 1 2.41 0.005 . 2 . . . . 102 GLU HG3 . 7103 1 1193 . 1 1 102 102 GLU CA C 13 54.7 0.2 . 1 . . . . 102 GLU CA . 7103 1 1194 . 1 1 102 102 GLU CB C 13 36.2 0.2 . 1 . . . . 102 GLU CB . 7103 1 1195 . 1 1 102 102 GLU N N 15 115.1 0.2 . 1 . . . . 102 GLU N . 7103 1 1196 . 1 1 103 103 VAL H H 1 8.93 0.005 . 1 . . . . 103 VAL H . 7103 1 1197 . 1 1 103 103 VAL HA H 1 4.72 0.005 . 1 . . . . 103 VAL HA . 7103 1 1198 . 1 1 103 103 VAL HB H 1 1.65 0.005 . 1 . . . . 103 VAL HB . 7103 1 1199 . 1 1 103 103 VAL HG11 H 1 0.70 0.005 . 2 . . . . 103 VAL HG1 . 7103 1 1200 . 1 1 103 103 VAL HG12 H 1 0.70 0.005 . 2 . . . . 103 VAL HG1 . 7103 1 1201 . 1 1 103 103 VAL HG13 H 1 0.70 0.005 . 2 . . . . 103 VAL HG1 . 7103 1 1202 . 1 1 103 103 VAL HG21 H 1 0.58 0.005 . 2 . . . . 103 VAL HG2 . 7103 1 1203 . 1 1 103 103 VAL HG22 H 1 0.58 0.005 . 2 . . . . 103 VAL HG2 . 7103 1 1204 . 1 1 103 103 VAL HG23 H 1 0.58 0.005 . 2 . . . . 103 VAL HG2 . 7103 1 1205 . 1 1 103 103 VAL C C 13 174.6 0.2 . 1 . . . . 103 VAL C . 7103 1 1206 . 1 1 103 103 VAL CA C 13 60.9 0.2 . 1 . . . . 103 VAL CA . 7103 1 1207 . 1 1 103 103 VAL CB C 13 35.1 0.2 . 1 . . . . 103 VAL CB . 7103 1 1208 . 1 1 103 103 VAL CG1 C 13 22.0 0.2 . 1 . . . . 103 VAL CG1 . 7103 1 1209 . 1 1 103 103 VAL CG2 C 13 22.2 0.2 . 1 . . . . 103 VAL CG2 . 7103 1 1210 . 1 1 103 103 VAL N N 15 119.6 0.2 . 1 . . . . 103 VAL N . 7103 1 1211 . 1 1 104 104 ARG H H 1 9.10 0.005 . 1 . . . . 104 ARG H . 7103 1 1212 . 1 1 104 104 ARG HA H 1 5.25 0.005 . 1 . . . . 104 ARG HA . 7103 1 1213 . 1 1 104 104 ARG HB2 H 1 1.51 0.005 . 2 . . . . 104 ARG HB2 . 7103 1 1214 . 1 1 104 104 ARG HB3 H 1 0.86 0.005 . 2 . . . . 104 ARG HB3 . 7103 1 1215 . 1 1 104 104 ARG HG2 H 1 1.87 0.005 . 2 . . . . 104 ARG HG2 . 7103 1 1216 . 1 1 104 104 ARG HG3 H 1 1.72 0.005 . 2 . . . . 104 ARG HG3 . 7103 1 1217 . 1 1 104 104 ARG HD2 H 1 2.40 0.005 . 2 . . . . 104 ARG HD2 . 7103 1 1218 . 1 1 104 104 ARG HD3 H 1 2.20 0.005 . 2 . . . . 104 ARG HD3 . 7103 1 1219 . 1 1 104 104 ARG HE H 1 7.91 0.005 . 1 . . . . 104 ARG HE . 7103 1 1220 . 1 1 104 104 ARG HH11 H 1 6.78 0.005 . 2 . . . . 104 ARG HH11 . 7103 1 1221 . 1 1 104 104 ARG HH21 H 1 6.97 0.005 . 2 . . . . 104 ARG HH21 . 7103 1 1222 . 1 1 104 104 ARG C C 13 172.8 0.2 . 1 . . . . 104 ARG C . 7103 1 1223 . 1 1 104 104 ARG CA C 13 54.4 0.2 . 1 . . . . 104 ARG CA . 7103 1 1224 . 1 1 104 104 ARG CB C 13 33.0 0.2 . 1 . . . . 104 ARG CB . 7103 1 1225 . 1 1 104 104 ARG CG C 13 30.1 0.2 . 1 . . . . 104 ARG CG . 7103 1 1226 . 1 1 104 104 ARG CD C 13 43.1 0.2 . 1 . . . . 104 ARG CD . 7103 1 1227 . 1 1 104 104 ARG N N 15 122.7 0.2 . 1 . . . . 104 ARG N . 7103 1 1228 . 1 1 104 104 ARG NE N 15 87.4 0.2 . 1 . . . . 104 ARG NE . 7103 1 1229 . 1 1 105 105 PHE H H 1 8.92 0.005 . 1 . . . . 105 PHE H . 7103 1 1230 . 1 1 105 105 PHE HA H 1 5.55 0.005 . 1 . . . . 105 PHE HA . 7103 1 1231 . 1 1 105 105 PHE HB2 H 1 2.57 0.005 . 2 . . . . 105 PHE HB2 . 7103 1 1232 . 1 1 105 105 PHE HB3 H 1 2.40 0.005 . 2 . . . . 105 PHE HB3 . 7103 1 1233 . 1 1 105 105 PHE HD1 H 1 6.62 0.005 . 1 . . . . 105 PHE HD1 . 7103 1 1234 . 1 1 105 105 PHE HD2 H 1 6.62 0.005 . 1 . . . . 105 PHE HD2 . 7103 1 1235 . 1 1 105 105 PHE HE1 H 1 6.92 0.005 . 1 . . . . 105 PHE HE1 . 7103 1 1236 . 1 1 105 105 PHE HE2 H 1 6.92 0.005 . 1 . . . . 105 PHE HE2 . 7103 1 1237 . 1 1 105 105 PHE HZ H 1 6.81 0.005 . 1 . . . . 105 PHE HZ . 7103 1 1238 . 1 1 105 105 PHE C C 13 174.5 0.2 . 1 . . . . 105 PHE C . 7103 1 1239 . 1 1 105 105 PHE CA C 13 52.5 0.2 . 1 . . . . 105 PHE CA . 7103 1 1240 . 1 1 105 105 PHE CB C 13 40.5 0.2 . 1 . . . . 105 PHE CB . 7103 1 1241 . 1 1 105 105 PHE CD1 C 13 129.4 0.2 . 1 . . . . 105 PHE CD1 . 7103 1 1242 . 1 1 105 105 PHE CD2 C 13 129.4 0.2 . 1 . . . . 105 PHE CD2 . 7103 1 1243 . 1 1 105 105 PHE CE1 C 13 131.5 0.2 . 1 . . . . 105 PHE CE1 . 7103 1 1244 . 1 1 105 105 PHE CE2 C 13 131.5 0.2 . 1 . . . . 105 PHE CE2 . 7103 1 1245 . 1 1 105 105 PHE CZ C 13 129.5 0.2 . 1 . . . . 105 PHE CZ . 7103 1 1246 . 1 1 105 105 PHE N N 15 123.1 0.2 . 1 . . . . 105 PHE N . 7103 1 1247 . 1 1 106 106 PHE H H 1 9.68 0.005 . 1 . . . . 106 PHE H . 7103 1 1248 . 1 1 106 106 PHE HA H 1 3.92 0.005 . 1 . . . . 106 PHE HA . 7103 1 1249 . 1 1 106 106 PHE HB2 H 1 3.30 0.005 . 2 . . . . 106 PHE HB2 . 7103 1 1250 . 1 1 106 106 PHE HB3 H 1 2.19 0.005 . 2 . . . . 106 PHE HB3 . 7103 1 1251 . 1 1 106 106 PHE HD1 H 1 6.97 0.005 . 1 . . . . 106 PHE HD1 . 7103 1 1252 . 1 1 106 106 PHE HD2 H 1 6.97 0.005 . 1 . . . . 106 PHE HD2 . 7103 1 1253 . 1 1 106 106 PHE HE1 H 1 6.44 0.005 . 1 . . . . 106 PHE HE1 . 7103 1 1254 . 1 1 106 106 PHE HE2 H 1 6.44 0.005 . 1 . . . . 106 PHE HE2 . 7103 1 1255 . 1 1 106 106 PHE HZ H 1 6.45 0.005 . 1 . . . . 106 PHE HZ . 7103 1 1256 . 1 1 106 106 PHE C C 13 174.1 0.2 . 1 . . . . 106 PHE C . 7103 1 1257 . 1 1 106 106 PHE CA C 13 59.5 0.2 . 1 . . . . 106 PHE CA . 7103 1 1258 . 1 1 106 106 PHE CB C 13 38.6 0.2 . 1 . . . . 106 PHE CB . 7103 1 1259 . 1 1 106 106 PHE CD1 C 13 131.1 0.2 . 1 . . . . 106 PHE CD1 . 7103 1 1260 . 1 1 106 106 PHE CD2 C 13 131.1 0.2 . 1 . . . . 106 PHE CD2 . 7103 1 1261 . 1 1 106 106 PHE CE1 C 13 129.8 0.2 . 1 . . . . 106 PHE CE1 . 7103 1 1262 . 1 1 106 106 PHE CE2 C 13 129.8 0.2 . 1 . . . . 106 PHE CE2 . 7103 1 1263 . 1 1 106 106 PHE CZ C 13 127.5 0.2 . 1 . . . . 106 PHE CZ . 7103 1 1264 . 1 1 106 106 PHE N N 15 128.8 0.2 . 1 . . . . 106 PHE N . 7103 1 1265 . 1 1 107 107 VAL H H 1 7.90 0.005 . 1 . . . . 107 VAL H . 7103 1 1266 . 1 1 107 107 VAL HA H 1 4.02 0.005 . 1 . . . . 107 VAL HA . 7103 1 1267 . 1 1 107 107 VAL HB H 1 1.80 0.005 . 1 . . . . 107 VAL HB . 7103 1 1268 . 1 1 107 107 VAL HG11 H 1 -0.79 0.005 . 1 . . . . 107 VAL HG1 . 7103 1 1269 . 1 1 107 107 VAL HG12 H 1 -0.79 0.005 . 1 . . . . 107 VAL HG1 . 7103 1 1270 . 1 1 107 107 VAL HG13 H 1 -0.79 0.005 . 1 . . . . 107 VAL HG1 . 7103 1 1271 . 1 1 107 107 VAL HG21 H 1 0.32 0.005 . 1 . . . . 107 VAL HG2 . 7103 1 1272 . 1 1 107 107 VAL HG22 H 1 0.32 0.005 . 1 . . . . 107 VAL HG2 . 7103 1 1273 . 1 1 107 107 VAL HG23 H 1 0.32 0.005 . 1 . . . . 107 VAL HG2 . 7103 1 1274 . 1 1 107 107 VAL C C 13 175.1 0.2 . 1 . . . . 107 VAL C . 7103 1 1275 . 1 1 107 107 VAL CA C 13 60.1 0.2 . 1 . . . . 107 VAL CA . 7103 1 1276 . 1 1 107 107 VAL CB C 13 31.6 0.2 . 1 . . . . 107 VAL CB . 7103 1 1277 . 1 1 107 107 VAL CG1 C 13 19.5 0.2 . 1 . . . . 107 VAL CG1 . 7103 1 1278 . 1 1 107 107 VAL CG2 C 13 18.8 0.2 . 1 . . . . 107 VAL CG2 . 7103 1 1279 . 1 1 107 107 VAL N N 15 115.5 0.2 . 1 . . . . 107 VAL N . 7103 1 1280 . 1 1 108 108 GLU H H 1 7.71 0.005 . 1 . . . . 108 GLU H . 7103 1 1281 . 1 1 108 108 GLU HA H 1 4.42 0.005 . 1 . . . . 108 GLU HA . 7103 1 1282 . 1 1 108 108 GLU HB2 H 1 1.82 0.005 . 2 . . . . 108 GLU HB2 . 7103 1 1283 . 1 1 108 108 GLU HG2 H 1 2.20 0.005 . 2 . . . . 108 GLU HG2 . 7103 1 1284 . 1 1 108 108 GLU HG3 H 1 1.93 0.005 . 2 . . . . 108 GLU HG3 . 7103 1 1285 . 1 1 108 108 GLU C C 13 175.7 0.2 . 1 . . . . 108 GLU C . 7103 1 1286 . 1 1 108 108 GLU CA C 13 56.8 0.2 . 1 . . . . 108 GLU CA . 7103 1 1287 . 1 1 108 108 GLU CB C 13 34.4 0.2 . 1 . . . . 108 GLU CB . 7103 1 1288 . 1 1 108 108 GLU CG C 13 36.7 0.2 . 9 . . . . 108 GLU CG . 7103 1 1289 . 1 1 108 108 GLU N N 15 119.0 0.2 . 1 . . . . 108 GLU N . 7103 1 1290 . 1 1 109 109 GLY H H 1 9.08 0.005 . 1 . . . . 109 GLY H . 7103 1 1291 . 1 1 109 109 GLY HA2 H 1 3.77 0.005 . 2 . . . . 109 GLY HA2 . 7103 1 1292 . 1 1 109 109 GLY C C 13 172.6 0.2 . 1 . . . . 109 GLY C . 7103 1 1293 . 1 1 109 109 GLY CA C 13 46.0 0.2 . 1 . . . . 109 GLY CA . 7103 1 1294 . 1 1 109 109 GLY N N 15 111.6 0.2 . 1 . . . . 109 GLY N . 7103 1 1295 . 1 1 110 110 ALA H H 1 8.28 0.005 . 1 . . . . 110 ALA H . 7103 1 1296 . 1 1 110 110 ALA HA H 1 5.39 0.005 . 1 . . . . 110 ALA HA . 7103 1 1297 . 1 1 110 110 ALA HB1 H 1 1.35 0.005 . 1 . . . . 110 ALA HB . 7103 1 1298 . 1 1 110 110 ALA HB2 H 1 1.35 0.005 . 1 . . . . 110 ALA HB . 7103 1 1299 . 1 1 110 110 ALA HB3 H 1 1.35 0.005 . 1 . . . . 110 ALA HB . 7103 1 1300 . 1 1 110 110 ALA C C 13 176.5 0.2 . 1 . . . . 110 ALA C . 7103 1 1301 . 1 1 110 110 ALA CA C 13 51.8 0.2 . 1 . . . . 110 ALA CA . 7103 1 1302 . 1 1 110 110 ALA CB C 13 23.0 0.2 . 1 . . . . 110 ALA CB . 7103 1 1303 . 1 1 110 110 ALA N N 15 121.9 0.2 . 1 . . . . 110 ALA N . 7103 1 1304 . 1 1 111 111 GLY H H 1 8.69 0.005 . 1 . . . . 111 GLY H . 7103 1 1305 . 1 1 111 111 GLY HA2 H 1 3.31 0.005 . 1 . . . . 111 GLY HA2 . 7103 1 1306 . 1 1 111 111 GLY HA3 H 1 4.37 0.005 . 1 . . . . 111 GLY HA3 . 7103 1 1307 . 1 1 111 111 GLY CA C 13 45.4 0.2 . 1 . . . . 111 GLY CA . 7103 1 1308 . 1 1 111 111 GLY N N 15 106.2 0.2 . 1 . . . . 111 GLY N . 7103 1 1309 . 1 1 112 112 LEU HA H 1 4.91 0.005 . 1 . . . . 112 LEU HA . 7103 1 1310 . 1 1 112 112 LEU HB2 H 1 2.01 0.005 . 2 . . . . 112 LEU HB2 . 7103 1 1311 . 1 1 112 112 LEU HB3 H 1 1.39 0.005 . 2 . . . . 112 LEU HB3 . 7103 1 1312 . 1 1 112 112 LEU HG H 1 1.27 0.005 . 1 . . . . 112 LEU HG . 7103 1 1313 . 1 1 112 112 LEU HD11 H 1 0.83 0.005 . 2 . . . . 112 LEU HD1 . 7103 1 1314 . 1 1 112 112 LEU HD12 H 1 0.83 0.005 . 2 . . . . 112 LEU HD1 . 7103 1 1315 . 1 1 112 112 LEU HD13 H 1 0.83 0.005 . 2 . . . . 112 LEU HD1 . 7103 1 1316 . 1 1 112 112 LEU HD21 H 1 0.76 0.005 . 2 . . . . 112 LEU HD2 . 7103 1 1317 . 1 1 112 112 LEU HD22 H 1 0.76 0.005 . 2 . . . . 112 LEU HD2 . 7103 1 1318 . 1 1 112 112 LEU HD23 H 1 0.76 0.005 . 2 . . . . 112 LEU HD2 . 7103 1 1319 . 1 1 112 112 LEU C C 13 173.4 0.2 . 1 . . . . 112 LEU C . 7103 1 1320 . 1 1 112 112 LEU CA C 13 54.2 0.2 . 1 . . . . 112 LEU CA . 7103 1 1321 . 1 1 112 112 LEU CB C 13 43.0 0.2 . 1 . . . . 112 LEU CB . 7103 1 1322 . 1 1 112 112 LEU CG C 13 26.7 0.2 . 1 . . . . 112 LEU CG . 7103 1 1323 . 1 1 112 112 LEU CD1 C 13 25.1 0.2 . 2 . . . . 112 LEU CD1 . 7103 1 1324 . 1 1 112 112 LEU CD2 C 13 24.0 0.2 . 2 . . . . 112 LEU CD2 . 7103 1 1325 . 1 1 113 113 PHE H H 1 9.61 0.005 . 1 . . . . 113 PHE H . 7103 1 1326 . 1 1 113 113 PHE HA H 1 4.78 0.005 . 1 . . . . 113 PHE HA . 7103 1 1327 . 1 1 113 113 PHE HB2 H 1 3.17 0.005 . 2 . . . . 113 PHE HB2 . 7103 1 1328 . 1 1 113 113 PHE HB3 H 1 2.81 0.005 . 9 . . . . 113 PHE HB3 . 7103 1 1329 . 1 1 113 113 PHE HD1 H 1 6.50 0.005 . 3 . . . . 113 PHE HD1 . 7103 1 1330 . 1 1 113 113 PHE HE1 H 1 6.87 0.005 . 3 . . . . 113 PHE HE1 . 7103 1 1331 . 1 1 113 113 PHE HZ H 1 6.71 0.005 . 1 . . . . 113 PHE HZ . 7103 1 1332 . 1 1 113 113 PHE C C 13 173.2 0.2 . 1 . . . . 113 PHE C . 7103 1 1333 . 1 1 113 113 PHE CA C 13 55.5 0.2 . 1 . . . . 113 PHE CA . 7103 1 1334 . 1 1 113 113 PHE CB C 13 42.2 0.2 . 1 . . . . 113 PHE CB . 7103 1 1335 . 1 1 113 113 PHE CD1 C 13 131.3 0.2 . 3 . . . . 113 PHE CD1 . 7103 1 1336 . 1 1 113 113 PHE CE1 C 13 130.3 0.2 . 3 . . . . 113 PHE CE1 . 7103 1 1337 . 1 1 113 113 PHE CZ C 13 128.1 0.2 . 1 . . . . 113 PHE CZ . 7103 1 1338 . 1 1 113 113 PHE N N 15 132.1 0.2 . 1 . . . . 113 PHE N . 7103 1 1339 . 1 1 114 114 CYS H H 1 8.51 0.005 . 1 . . . . 114 CYS H . 7103 1 1340 . 1 1 114 114 CYS HA H 1 5.01 0.005 . 1 . . . . 114 CYS HA . 7103 1 1341 . 1 1 114 114 CYS HB2 H 1 1.07 0.005 . 2 . . . . 114 CYS HB2 . 7103 1 1342 . 1 1 114 114 CYS HB3 H 1 0.05 0.005 . 2 . . . . 114 CYS HB3 . 7103 1 1343 . 1 1 114 114 CYS C C 13 177.8 0.2 . 9 . . . . 114 CYS C . 7103 1 1344 . 1 1 114 114 CYS CA C 13 56.7 0.2 . 1 . . . . 114 CYS CA . 7103 1 1345 . 1 1 114 114 CYS CB C 13 28.9 0.2 . 1 . . . . 114 CYS CB . 7103 1 1346 . 1 1 114 114 CYS N N 15 124.6 0.2 . 1 . . . . 114 CYS N . 7103 1 1347 . 1 1 115 115 LEU H H 1 8.34 0.005 . 9 . . . . 115 LEU H . 7103 1 1348 . 1 1 115 115 LEU HA H 1 4.68 0.005 . 9 . . . . 115 LEU HA . 7103 1 1349 . 1 1 115 115 LEU HB2 H 1 1.46 0.005 . 2 . . . . 115 LEU HB2 . 7103 1 1350 . 1 1 115 115 LEU HB3 H 1 1.14 0.005 . 2 . . . . 115 LEU HB3 . 7103 1 1351 . 1 1 115 115 LEU HG H 1 1.19 0.005 . 1 . . . . 115 LEU HG . 7103 1 1352 . 1 1 115 115 LEU HD11 H 1 0.69 0.005 . 2 . . . . 115 LEU HD1 . 7103 1 1353 . 1 1 115 115 LEU HD12 H 1 0.69 0.005 . 2 . . . . 115 LEU HD1 . 7103 1 1354 . 1 1 115 115 LEU HD13 H 1 0.69 0.005 . 2 . . . . 115 LEU HD1 . 7103 1 1355 . 1 1 115 115 LEU HD21 H 1 0.28 0.005 . 2 . . . . 115 LEU HD2 . 7103 1 1356 . 1 1 115 115 LEU HD22 H 1 0.28 0.005 . 2 . . . . 115 LEU HD2 . 7103 1 1357 . 1 1 115 115 LEU HD23 H 1 0.28 0.005 . 2 . . . . 115 LEU HD2 . 7103 1 1358 . 1 1 115 115 LEU C C 13 175.1 0.2 . 1 . . . . 115 LEU C . 7103 1 1359 . 1 1 115 115 LEU CA C 13 53.5 0.2 . 1 . . . . 115 LEU CA . 7103 1 1360 . 1 1 115 115 LEU CB C 13 45.3 0.2 . 1 . . . . 115 LEU CB . 7103 1 1361 . 1 1 115 115 LEU CG C 13 27.3 0.2 . 1 . . . . 115 LEU CG . 7103 1 1362 . 1 1 115 115 LEU CD1 C 13 26.1 0.2 . 2 . . . . 115 LEU CD1 . 7103 1 1363 . 1 1 115 115 LEU N N 15 118.5 0.2 . 1 . . . . 115 LEU N . 7103 1 1364 . 1 1 116 116 HIS H H 1 8.46 0.005 . 1 . . . . 116 HIS H . 7103 1 1365 . 1 1 116 116 HIS HA H 1 5.41 0.005 . 1 . . . . 116 HIS HA . 7103 1 1366 . 1 1 116 116 HIS HB2 H 1 3.43 0.005 . 2 . . . . 116 HIS HB2 . 7103 1 1367 . 1 1 116 116 HIS HB3 H 1 3.03 0.005 . 2 . . . . 116 HIS HB3 . 7103 1 1368 . 1 1 116 116 HIS HD2 H 1 6.79 0.005 . 1 . . . . 116 HIS HD2 . 7103 1 1369 . 1 1 116 116 HIS HE1 H 1 8.06 0.005 . 1 . . . . 116 HIS HE1 . 7103 1 1370 . 1 1 116 116 HIS C C 13 173.4 0.2 . 1 . . . . 116 HIS C . 7103 1 1371 . 1 1 116 116 HIS CA C 13 53.4 0.2 . 1 . . . . 116 HIS CA . 7103 1 1372 . 1 1 116 116 HIS CB C 13 31.6 0.2 . 1 . . . . 116 HIS CB . 7103 1 1373 . 1 1 116 116 HIS CD2 C 13 121.0 0.2 . 1 . . . . 116 HIS CD2 . 7103 1 1374 . 1 1 116 116 HIS CE1 C 13 137.7 0.2 . 1 . . . . 116 HIS CE1 . 7103 1 1375 . 1 1 116 116 HIS N N 15 124.6 0.2 . 1 . . . . 116 HIS N . 7103 1 1376 . 1 1 117 117 ILE H H 1 8.61 0.005 . 1 . . . . 117 ILE H . 7103 1 1377 . 1 1 117 117 ILE HA H 1 4.28 0.005 . 1 . . . . 117 ILE HA . 7103 1 1378 . 1 1 117 117 ILE HB H 1 1.60 0.005 . 1 . . . . 117 ILE HB . 7103 1 1379 . 1 1 117 117 ILE HG12 H 1 0.77 0.005 . 2 . . . . 117 ILE HG12 . 7103 1 1380 . 1 1 117 117 ILE HG13 H 1 1.20 0.005 . 2 . . . . 117 ILE HG13 . 7103 1 1381 . 1 1 117 117 ILE HG21 H 1 0.75 0.005 . 1 . . . . 117 ILE HG2 . 7103 1 1382 . 1 1 117 117 ILE HG22 H 1 0.75 0.005 . 1 . . . . 117 ILE HG2 . 7103 1 1383 . 1 1 117 117 ILE HG23 H 1 0.75 0.005 . 1 . . . . 117 ILE HG2 . 7103 1 1384 . 1 1 117 117 ILE HD11 H 1 0.13 0.005 . 1 . . . . 117 ILE HD1 . 7103 1 1385 . 1 1 117 117 ILE HD12 H 1 0.13 0.005 . 1 . . . . 117 ILE HD1 . 7103 1 1386 . 1 1 117 117 ILE HD13 H 1 0.13 0.005 . 1 . . . . 117 ILE HD1 . 7103 1 1387 . 1 1 117 117 ILE C C 13 176.3 0.2 . 1 . . . . 117 ILE C . 7103 1 1388 . 1 1 117 117 ILE CA C 13 60.7 0.2 . 1 . . . . 117 ILE CA . 7103 1 1389 . 1 1 117 117 ILE CB C 13 39.4 0.2 . 1 . . . . 117 ILE CB . 7103 1 1390 . 1 1 117 117 ILE CG1 C 13 26.7 0.2 . 1 . . . . 117 ILE CG1 . 7103 1 1391 . 1 1 117 117 ILE CG2 C 13 17.2 0.2 . 1 . . . . 117 ILE CG2 . 7103 1 1392 . 1 1 117 117 ILE CD1 C 13 12.2 0.2 . 1 . . . . 117 ILE CD1 . 7103 1 1393 . 1 1 117 117 ILE N N 15 128.2 0.2 . 1 . . . . 117 ILE N . 7103 1 1394 . 1 1 118 118 GLY H H 1 8.87 0.005 . 1 . . . . 118 GLY H . 7103 1 1395 . 1 1 118 118 GLY HA2 H 1 3.98 0.005 . 2 . . . . 118 GLY HA2 . 7103 1 1396 . 1 1 118 118 GLY HA3 H 1 3.71 0.005 . 2 . . . . 118 GLY HA3 . 7103 1 1397 . 1 1 118 118 GLY C C 13 174.2 0.2 . 1 . . . . 118 GLY C . 7103 1 1398 . 1 1 118 118 GLY CA C 13 47.0 0.2 . 1 . . . . 118 GLY CA . 7103 1 1399 . 1 1 118 118 GLY N N 15 119.9 0.2 . 1 . . . . 118 GLY N . 7103 1 1400 . 1 1 119 119 ASP H H 1 8.91 0.005 . 1 . . . . 119 ASP H . 7103 1 1401 . 1 1 119 119 ASP HA H 1 5.14 0.005 . 1 . . . . 119 ASP HA . 7103 1 1402 . 1 1 119 119 ASP HB2 H 1 3.06 0.005 . 2 . . . . 119 ASP HB2 . 7103 1 1403 . 1 1 119 119 ASP HB3 H 1 2.65 0.005 . 2 . . . . 119 ASP HB3 . 7103 1 1404 . 1 1 119 119 ASP C C 13 175.5 0.2 . 1 . . . . 119 ASP C . 7103 1 1405 . 1 1 119 119 ASP CA C 13 53.9 0.2 . 1 . . . . 119 ASP CA . 7103 1 1406 . 1 1 119 119 ASP CB C 13 41.0 0.2 . 1 . . . . 119 ASP CB . 7103 1 1407 . 1 1 119 119 ASP N N 15 126.4 0.2 . 1 . . . . 119 ASP N . 7103 1 1408 . 1 1 120 120 GLU H H 1 8.13 0.005 . 1 . . . . 120 GLU H . 7103 1 1409 . 1 1 120 120 GLU HA H 1 5.16 0.005 . 1 . . . . 120 GLU HA . 7103 1 1410 . 1 1 120 120 GLU HB2 H 1 2.18 0.005 . 2 . . . . 120 GLU HB2 . 7103 1 1411 . 1 1 120 120 GLU HB3 H 1 1.76 0.005 . 2 . . . . 120 GLU HB3 . 7103 1 1412 . 1 1 120 120 GLU HG2 H 1 2.20 0.005 . 2 . . . . 120 GLU HG2 . 7103 1 1413 . 1 1 120 120 GLU HG3 H 1 1.97 0.005 . 2 . . . . 120 GLU HG3 . 7103 1 1414 . 1 1 120 120 GLU C C 13 174.2 0.2 . 1 . . . . 120 GLU C . 7103 1 1415 . 1 1 120 120 GLU CA C 13 55.4 0.2 . 1 . . . . 120 GLU CA . 7103 1 1416 . 1 1 120 120 GLU CB C 13 35.3 0.2 . 1 . . . . 120 GLU CB . 7103 1 1417 . 1 1 120 120 GLU CG C 13 37.2 0.2 . 1 . . . . 120 GLU CG . 7103 1 1418 . 1 1 120 120 GLU N N 15 120.3 0.2 . 1 . . . . 120 GLU N . 7103 1 1419 . 1 1 121 121 VAL H H 1 9.09 0.005 . 1 . . . . 121 VAL H . 7103 1 1420 . 1 1 121 121 VAL HA H 1 4.69 0.005 . 1 . . . . 121 VAL HA . 7103 1 1421 . 1 1 121 121 VAL HB H 1 1.65 0.005 . 1 . . . . 121 VAL HB . 7103 1 1422 . 1 1 121 121 VAL HG11 H 1 0.74 0.005 . 2 . . . . 121 VAL HG1 . 7103 1 1423 . 1 1 121 121 VAL HG12 H 1 0.74 0.005 . 2 . . . . 121 VAL HG1 . 7103 1 1424 . 1 1 121 121 VAL HG13 H 1 0.74 0.005 . 2 . . . . 121 VAL HG1 . 7103 1 1425 . 1 1 121 121 VAL C C 13 174.3 0.2 . 1 . . . . 121 VAL C . 7103 1 1426 . 1 1 121 121 VAL CA C 13 61.5 0.2 . 1 . . . . 121 VAL CA . 7103 1 1427 . 1 1 121 121 VAL CB C 13 34.0 0.2 . 1 . . . . 121 VAL CB . 7103 1 1428 . 1 1 121 121 VAL CG1 C 13 21.5 0.2 . 1 . . . . 121 VAL CG1 . 7103 1 1429 . 1 1 121 121 VAL N N 15 119.7 0.2 . 1 . . . . 121 VAL N . 7103 1 1430 . 1 1 122 122 PHE H H 1 9.44 0.005 . 1 . . . . 122 PHE H . 7103 1 1431 . 1 1 122 122 PHE HA H 1 4.45 0.005 . 1 . . . . 122 PHE HA . 7103 1 1432 . 1 1 122 122 PHE HB2 H 1 3.20 0.005 . 2 . . . . 122 PHE HB2 . 7103 1 1433 . 1 1 122 122 PHE HB3 H 1 2.37 0.005 . 2 . . . . 122 PHE HB3 . 7103 1 1434 . 1 1 122 122 PHE HD1 H 1 7.03 0.005 . 3 . . . . 122 PHE HD1 . 7103 1 1435 . 1 1 122 122 PHE HE1 H 1 7.18 0.005 . 3 . . . . 122 PHE HE1 . 7103 1 1436 . 1 1 122 122 PHE HZ H 1 7.37 0.005 . 1 . . . . 122 PHE HZ . 7103 1 1437 . 1 1 122 122 PHE C C 13 173.9 0.2 . 1 . . . . 122 PHE C . 7103 1 1438 . 1 1 122 122 PHE CA C 13 56.4 0.2 . 1 . . . . 122 PHE CA . 7103 1 1439 . 1 1 122 122 PHE CB C 13 39.1 0.2 . 1 . . . . 122 PHE CB . 7103 1 1440 . 1 1 122 122 PHE CD1 C 13 130.3 0.2 . 3 . . . . 122 PHE CD1 . 7103 1 1441 . 1 1 122 122 PHE CE1 C 13 130.8 0.2 . 3 . . . . 122 PHE CE1 . 7103 1 1442 . 1 1 122 122 PHE CZ C 13 129.5 0.2 . 1 . . . . 122 PHE CZ . 7103 1 1443 . 1 1 122 122 PHE N N 15 128.8 0.2 . 1 . . . . 122 PHE N . 7103 1 1444 . 1 1 123 123 GLN H H 1 9.17 0.005 . 1 . . . . 123 GLN H . 7103 1 1445 . 1 1 123 123 GLN HA H 1 4.70 0.005 . 1 . . . . 123 GLN HA . 7103 1 1446 . 1 1 123 123 GLN HB2 H 1 2.30 0.005 . 2 . . . . 123 GLN HB2 . 7103 1 1447 . 1 1 123 123 GLN HB3 H 1 2.03 0.005 . 2 . . . . 123 GLN HB3 . 7103 1 1448 . 1 1 123 123 GLN HE21 H 1 6.76 0.005 . 2 . . . . 123 GLN HE21 . 7103 1 1449 . 1 1 123 123 GLN HE22 H 1 7.12 0.005 . 2 . . . . 123 GLN HE22 . 7103 1 1450 . 1 1 123 123 GLN C C 13 174.4 0.2 . 1 . . . . 123 GLN C . 7103 1 1451 . 1 1 123 123 GLN CA C 13 55.2 0.2 . 1 . . . . 123 GLN CA . 7103 1 1452 . 1 1 123 123 GLN CB C 13 28.9 0.2 . 1 . . . . 123 GLN CB . 7103 1 1453 . 1 1 123 123 GLN N N 15 122.8 0.2 . 1 . . . . 123 GLN N . 7103 1 1454 . 1 1 123 123 GLN NE2 N 15 112.3 0.2 . 1 . . . . 123 GLN NE2 . 7103 1 1455 . 1 1 124 124 VAL H H 1 9.80 0.005 . 1 . . . . 124 VAL H . 7103 1 1456 . 1 1 124 124 VAL HA H 1 4.79 0.005 . 1 . . . . 124 VAL HA . 7103 1 1457 . 1 1 124 124 VAL HB H 1 2.28 0.005 . 1 . . . . 124 VAL HB . 7103 1 1458 . 1 1 124 124 VAL HG11 H 1 0.82 0.005 . 1 . . . . 124 VAL HG1 . 7103 1 1459 . 1 1 124 124 VAL HG12 H 1 0.82 0.005 . 1 . . . . 124 VAL HG1 . 7103 1 1460 . 1 1 124 124 VAL HG13 H 1 0.82 0.005 . 1 . . . . 124 VAL HG1 . 7103 1 1461 . 1 1 124 124 VAL C C 13 175.4 0.2 . 1 . . . . 124 VAL C . 7103 1 1462 . 1 1 124 124 VAL CA C 13 60.6 0.2 . 1 . . . . 124 VAL CA . 7103 1 1463 . 1 1 124 124 VAL CB C 13 32.8 0.2 . 1 . . . . 124 VAL CB . 7103 1 1464 . 1 1 124 124 VAL CG1 C 13 22.6 0.2 . 1 . . . . 124 VAL CG1 . 7103 1 1465 . 1 1 124 124 VAL N N 15 131.3 0.2 . 1 . . . . 124 VAL N . 7103 1 1466 . 1 1 125 125 LEU H H 1 9.39 0.005 . 1 . . . . 125 LEU H . 7103 1 1467 . 1 1 125 125 LEU HA H 1 4.60 0.005 . 1 . . . . 125 LEU HA . 7103 1 1468 . 1 1 125 125 LEU HB2 H 1 1.92 0.005 . 2 . . . . 125 LEU HB2 . 7103 1 1469 . 1 1 125 125 LEU HB3 H 1 1.28 0.005 . 2 . . . . 125 LEU HB3 . 7103 1 1470 . 1 1 125 125 LEU HG H 1 1.43 0.005 . 1 . . . . 125 LEU HG . 7103 1 1471 . 1 1 125 125 LEU HD11 H 1 0.80 0.005 . 2 . . . . 125 LEU HD1 . 7103 1 1472 . 1 1 125 125 LEU HD12 H 1 0.80 0.005 . 2 . . . . 125 LEU HD1 . 7103 1 1473 . 1 1 125 125 LEU HD13 H 1 0.80 0.005 . 2 . . . . 125 LEU HD1 . 7103 1 1474 . 1 1 125 125 LEU HD21 H 1 0.74 0.005 . 2 . . . . 125 LEU HD2 . 7103 1 1475 . 1 1 125 125 LEU HD22 H 1 0.74 0.005 . 2 . . . . 125 LEU HD2 . 7103 1 1476 . 1 1 125 125 LEU HD23 H 1 0.74 0.005 . 2 . . . . 125 LEU HD2 . 7103 1 1477 . 1 1 125 125 LEU C C 13 174.6 0.2 . 1 . . . . 125 LEU C . 7103 1 1478 . 1 1 125 125 LEU CA C 13 55.3 0.2 . 1 . . . . 125 LEU CA . 7103 1 1479 . 1 1 125 125 LEU CB C 13 41.4 0.2 . 1 . . . . 125 LEU CB . 7103 1 1480 . 1 1 125 125 LEU CG C 13 28.3 0.2 . 1 . . . . 125 LEU CG . 7103 1 1481 . 1 1 125 125 LEU CD1 C 13 25.4 0.2 . 2 . . . . 125 LEU CD1 . 7103 1 1482 . 1 1 125 125 LEU CD2 C 13 23.1 0.2 . 2 . . . . 125 LEU CD2 . 7103 1 1483 . 1 1 125 125 LEU N N 15 133.1 0.2 . 1 . . . . 125 LEU N . 7103 1 1484 . 1 1 126 126 CYS H H 1 8.32 0.005 . 1 . . . . 126 CYS H . 7103 1 1485 . 1 1 126 126 CYS HA H 1 4.95 0.005 . 1 . . . . 126 CYS HA . 7103 1 1486 . 1 1 126 126 CYS HB2 H 1 1.69 0.005 . 2 . . . . 126 CYS HB2 . 7103 1 1487 . 1 1 126 126 CYS HB3 H 1 1.08 0.005 . 2 . . . . 126 CYS HB3 . 7103 1 1488 . 1 1 126 126 CYS C C 13 173.5 0.2 . 1 . . . . 126 CYS C . 7103 1 1489 . 1 1 126 126 CYS CA C 13 58.0 0.2 . 1 . . . . 126 CYS CA . 7103 1 1490 . 1 1 126 126 CYS CB C 13 27.8 0.2 . 9 . . . . 126 CYS CB . 7103 1 1491 . 1 1 126 126 CYS N N 15 127.1 0.2 . 1 . . . . 126 CYS N . 7103 1 1492 . 1 1 127 127 GLU H H 1 9.04 0.005 . 1 . . . . 127 GLU H . 7103 1 1493 . 1 1 127 127 GLU HA H 1 5.02 0.005 . 1 . . . . 127 GLU HA . 7103 1 1494 . 1 1 127 127 GLU HB2 H 1 2.10 0.005 . 2 . . . . 127 GLU HB2 . 7103 1 1495 . 1 1 127 127 GLU HB3 H 1 1.81 0.005 . 2 . . . . 127 GLU HB3 . 7103 1 1496 . 1 1 127 127 GLU HG2 H 1 2.16 0.005 . 2 . . . . 127 GLU HG2 . 7103 1 1497 . 1 1 127 127 GLU HG3 H 1 2.03 0.005 . 2 . . . . 127 GLU HG3 . 7103 1 1498 . 1 1 127 127 GLU C C 13 174.7 0.2 . 1 . . . . 127 GLU C . 7103 1 1499 . 1 1 127 127 GLU CA C 13 53.7 0.2 . 1 . . . . 127 GLU CA . 7103 1 1500 . 1 1 127 127 GLU CB C 13 34.4 0.2 . 1 . . . . 127 GLU CB . 7103 1 1501 . 1 1 127 127 GLU CG C 13 37.5 0.2 . 1 . . . . 127 GLU CG . 7103 1 1502 . 1 1 127 127 GLU N N 15 120.6 0.2 . 1 . . . . 127 GLU N . 7103 1 1503 . 1 1 128 128 LYS H H 1 7.51 0.005 . 1 . . . . 128 LYS H . 7103 1 1504 . 1 1 128 128 LYS HA H 1 3.33 0.005 . 1 . . . . 128 LYS HA . 7103 1 1505 . 1 1 128 128 LYS HB2 H 1 1.79 0.005 . 2 . . . . 128 LYS HB2 . 7103 1 1506 . 1 1 128 128 LYS HB3 H 1 1.55 0.005 . 2 . . . . 128 LYS HB3 . 7103 1 1507 . 1 1 128 128 LYS HG2 H 1 1.30 0.005 . 2 . . . . 128 LYS HG2 . 7103 1 1508 . 1 1 128 128 LYS HG3 H 1 1.14 0.005 . 2 . . . . 128 LYS HG3 . 7103 1 1509 . 1 1 128 128 LYS HE2 H 1 3.28 0.005 . 2 . . . . 128 LYS HE2 . 7103 1 1510 . 1 1 128 128 LYS C C 13 176.2 0.2 . 1 . . . . 128 LYS C . 7103 1 1511 . 1 1 128 128 LYS CA C 13 59.3 0.2 . 1 . . . . 128 LYS CA . 7103 1 1512 . 1 1 128 128 LYS CB C 13 34.5 0.2 . 1 . . . . 128 LYS CB . 7103 1 1513 . 1 1 128 128 LYS CG C 13 24.5 0.2 . 1 . . . . 128 LYS CG . 7103 1 1514 . 1 1 128 128 LYS CE C 13 42.3 0.2 . 1 . . . . 128 LYS CE . 7103 1 1515 . 1 1 128 128 LYS N N 15 119.3 0.2 . 1 . . . . 128 LYS N . 7103 1 1516 . 1 1 129 129 ASN H H 1 8.63 0.005 . 1 . . . . 129 ASN H . 7103 1 1517 . 1 1 129 129 ASN HA H 1 4.70 0.005 . 1 . . . . 129 ASN HA . 7103 1 1518 . 1 1 129 129 ASN HB2 H 1 3.59 0.005 . 2 . . . . 129 ASN HB2 . 7103 1 1519 . 1 1 129 129 ASN HB3 H 1 3.36 0.005 . 2 . . . . 129 ASN HB3 . 7103 1 1520 . 1 1 129 129 ASN HD21 H 1 7.60 0.005 . 2 . . . . 129 ASN HD21 . 7103 1 1521 . 1 1 129 129 ASN HD22 H 1 6.51 0.005 . 2 . . . . 129 ASN HD22 . 7103 1 1522 . 1 1 129 129 ASN C C 13 174.8 0.2 . 1 . . . . 129 ASN C . 7103 1 1523 . 1 1 129 129 ASN CA C 13 58.1 0.2 . 1 . . . . 129 ASN CA . 7103 1 1524 . 1 1 129 129 ASN CB C 13 38.3 0.2 . 1 . . . . 129 ASN CB . 7103 1 1525 . 1 1 129 129 ASN N N 15 121.1 0.2 . 1 . . . . 129 ASN N . 7103 1 1526 . 1 1 129 129 ASN ND2 N 15 109.0 0.2 . 1 . . . . 129 ASN ND2 . 7103 1 1527 . 1 1 130 130 ASP H H 1 9.23 0.005 . 1 . . . . 130 ASP H . 7103 1 1528 . 1 1 130 130 ASP HA H 1 4.67 0.005 . 1 . . . . 130 ASP HA . 7103 1 1529 . 1 1 130 130 ASP HB2 H 1 2.86 0.005 . 2 . . . . 130 ASP HB2 . 7103 1 1530 . 1 1 130 130 ASP HB3 H 1 2.31 0.005 . 2 . . . . 130 ASP HB3 . 7103 1 1531 . 1 1 130 130 ASP C C 13 174.0 0.2 . 1 . . . . 130 ASP C . 7103 1 1532 . 1 1 130 130 ASP CA C 13 57.0 0.2 . 1 . . . . 130 ASP CA . 7103 1 1533 . 1 1 130 130 ASP CB C 13 41.1 0.2 . 1 . . . . 130 ASP CB . 7103 1 1534 . 1 1 130 130 ASP N N 15 122.7 0.2 . 1 . . . . 130 ASP N . 7103 1 1535 . 1 1 131 131 LEU H H 1 8.76 0.005 . 1 . . . . 131 LEU H . 7103 1 1536 . 1 1 131 131 LEU HA H 1 5.18 0.005 . 1 . . . . 131 LEU HA . 7103 1 1537 . 1 1 131 131 LEU HB2 H 1 1.12 0.005 . 2 . . . . 131 LEU HB2 . 7103 1 1538 . 1 1 131 131 LEU HB3 H 1 0.56 0.005 . 2 . . . . 131 LEU HB3 . 7103 1 1539 . 1 1 131 131 LEU HG H 1 0.68 0.005 . 1 . . . . 131 LEU HG . 7103 1 1540 . 1 1 131 131 LEU HD11 H 1 -0.27 0.005 . 1 . . . . 131 LEU HD1 . 7103 1 1541 . 1 1 131 131 LEU HD12 H 1 -0.27 0.005 . 1 . . . . 131 LEU HD1 . 7103 1 1542 . 1 1 131 131 LEU HD13 H 1 -0.27 0.005 . 1 . . . . 131 LEU HD1 . 7103 1 1543 . 1 1 131 131 LEU HD21 H 1 -0.51 0.005 . 1 . . . . 131 LEU HD2 . 7103 1 1544 . 1 1 131 131 LEU HD22 H 1 -0.51 0.005 . 1 . . . . 131 LEU HD2 . 7103 1 1545 . 1 1 131 131 LEU HD23 H 1 -0.51 0.005 . 1 . . . . 131 LEU HD2 . 7103 1 1546 . 1 1 131 131 LEU C C 13 173.8 0.2 . 1 . . . . 131 LEU C . 7103 1 1547 . 1 1 131 131 LEU CA C 13 53.7 0.2 . 1 . . . . 131 LEU CA . 7103 1 1548 . 1 1 131 131 LEU CB C 13 44.5 0.2 . 1 . . . . 131 LEU CB . 7103 1 1549 . 1 1 131 131 LEU CG C 13 29.5 0.2 . 1 . . . . 131 LEU CG . 7103 1 1550 . 1 1 131 131 LEU CD1 C 13 24.0 0.2 . 1 . . . . 131 LEU CD1 . 7103 1 1551 . 1 1 131 131 LEU CD2 C 13 24.5 0.2 . 1 . . . . 131 LEU CD2 . 7103 1 1552 . 1 1 131 131 LEU N N 15 125.9 0.2 . 1 . . . . 131 LEU N . 7103 1 1553 . 1 1 132 132 ILE H H 1 8.91 0.005 . 1 . . . . 132 ILE H . 7103 1 1554 . 1 1 132 132 ILE HA H 1 5.75 0.005 . 1 . . . . 132 ILE HA . 7103 1 1555 . 1 1 132 132 ILE HB H 1 1.82 0.005 . 1 . . . . 132 ILE HB . 7103 1 1556 . 1 1 132 132 ILE HG12 H 1 1.68 0.005 . 2 . . . . 132 ILE HG12 . 7103 1 1557 . 1 1 132 132 ILE HG13 H 1 2.11 0.005 . 2 . . . . 132 ILE HG13 . 7103 1 1558 . 1 1 132 132 ILE HG21 H 1 1.06 0.005 . 1 . . . . 132 ILE HG2 . 7103 1 1559 . 1 1 132 132 ILE HG22 H 1 1.06 0.005 . 1 . . . . 132 ILE HG2 . 7103 1 1560 . 1 1 132 132 ILE HG23 H 1 1.06 0.005 . 1 . . . . 132 ILE HG2 . 7103 1 1561 . 1 1 132 132 ILE HD11 H 1 0.98 0.005 . 1 . . . . 132 ILE HD1 . 7103 1 1562 . 1 1 132 132 ILE HD12 H 1 0.98 0.005 . 1 . . . . 132 ILE HD1 . 7103 1 1563 . 1 1 132 132 ILE HD13 H 1 0.98 0.005 . 1 . . . . 132 ILE HD1 . 7103 1 1564 . 1 1 132 132 ILE C C 13 173.7 0.2 . 1 . . . . 132 ILE C . 7103 1 1565 . 1 1 132 132 ILE CA C 13 57.6 0.2 . 1 . . . . 132 ILE CA . 7103 1 1566 . 1 1 132 132 ILE CB C 13 43.8 0.2 . 1 . . . . 132 ILE CB . 7103 1 1567 . 1 1 132 132 ILE CG1 C 13 28.5 0.2 . 1 . . . . 132 ILE CG1 . 7103 1 1568 . 1 1 132 132 ILE CG2 C 13 15.6 0.2 . 1 . . . . 132 ILE CG2 . 7103 1 1569 . 1 1 132 132 ILE CD1 C 13 15.6 0.2 . 1 . . . . 132 ILE CD1 . 7103 1 1570 . 1 1 132 132 ILE N N 15 123.2 0.2 . 1 . . . . 132 ILE N . 7103 1 1571 . 1 1 133 133 SER H H 1 8.37 0.005 . 1 . . . . 133 SER H . 7103 1 1572 . 1 1 133 133 SER HA H 1 5.24 0.005 . 1 . . . . 133 SER HA . 7103 1 1573 . 1 1 133 133 SER HB2 H 1 4.11 0.005 . 2 . . . . 133 SER HB2 . 7103 1 1574 . 1 1 133 133 SER HB3 H 1 3.70 0.005 . 2 . . . . 133 SER HB3 . 7103 1 1575 . 1 1 133 133 SER C C 13 170.8 0.2 . 1 . . . . 133 SER C . 7103 1 1576 . 1 1 133 133 SER CA C 13 56.4 0.2 . 1 . . . . 133 SER CA . 7103 1 1577 . 1 1 133 133 SER CB C 13 65.5 0.2 . 1 . . . . 133 SER CB . 7103 1 1578 . 1 1 133 133 SER N N 15 121.4 0.2 . 1 . . . . 133 SER N . 7103 1 1579 . 1 1 134 134 VAL H H 1 8.32 0.005 . 1 . . . . 134 VAL H . 7103 1 1580 . 1 1 134 134 VAL HA H 1 4.36 0.005 . 1 . . . . 134 VAL HA . 7103 1 1581 . 1 1 134 134 VAL HB H 1 1.95 0.005 . 1 . . . . 134 VAL HB . 7103 1 1582 . 1 1 134 134 VAL HG11 H 1 0.63 0.005 . 2 . . . . 134 VAL HG1 . 7103 1 1583 . 1 1 134 134 VAL HG12 H 1 0.63 0.005 . 2 . . . . 134 VAL HG1 . 7103 1 1584 . 1 1 134 134 VAL HG13 H 1 0.63 0.005 . 2 . . . . 134 VAL HG1 . 7103 1 1585 . 1 1 134 134 VAL HG21 H 1 0.29 0.005 . 2 . . . . 134 VAL HG2 . 7103 1 1586 . 1 1 134 134 VAL HG22 H 1 0.29 0.005 . 2 . . . . 134 VAL HG2 . 7103 1 1587 . 1 1 134 134 VAL HG23 H 1 0.29 0.005 . 2 . . . . 134 VAL HG2 . 7103 1 1588 . 1 1 134 134 VAL CA C 13 58.4 0.2 . 1 . . . . 134 VAL CA . 7103 1 1589 . 1 1 134 134 VAL CB C 13 32.1 0.2 . 1 . . . . 134 VAL CB . 7103 1 1590 . 1 1 134 134 VAL CG1 C 13 20.2 0.2 . 1 . . . . 134 VAL CG1 . 7103 1 1591 . 1 1 134 134 VAL CG2 C 13 20.5 0.2 . 1 . . . . 134 VAL CG2 . 7103 1 1592 . 1 1 134 134 VAL N N 15 115.1 0.2 . 1 . . . . 134 VAL N . 7103 1 1593 . 1 1 135 135 PRO HA H 1 4.43 0.005 . 1 . . . . 135 PRO HA . 7103 1 1594 . 1 1 135 135 PRO HB2 H 1 2.40 0.005 . 2 . . . . 135 PRO HB2 . 7103 1 1595 . 1 1 135 135 PRO HB3 H 1 1.79 0.005 . 2 . . . . 135 PRO HB3 . 7103 1 1596 . 1 1 135 135 PRO HG2 H 1 1.92 0.005 . 2 . . . . 135 PRO HG2 . 7103 1 1597 . 1 1 135 135 PRO HD2 H 1 3.83 0.005 . 2 . . . . 135 PRO HD2 . 7103 1 1598 . 1 1 135 135 PRO HD3 H 1 3.35 0.005 . 2 . . . . 135 PRO HD3 . 7103 1 1599 . 1 1 135 135 PRO C C 13 176.7 0.2 . 1 . . . . 135 PRO C . 7103 1 1600 . 1 1 135 135 PRO CA C 13 62.5 0.2 . 1 . . . . 135 PRO CA . 7103 1 1601 . 1 1 135 135 PRO CB C 13 32.1 0.2 . 1 . . . . 135 PRO CB . 7103 1 1602 . 1 1 135 135 PRO CD C 13 51.0 0.2 . 1 . . . . 135 PRO CD . 7103 1 1603 . 1 1 136 136 ALA H H 1 8.76 0.005 . 1 . . . . 136 ALA H . 7103 1 1604 . 1 1 136 136 ALA HA H 1 3.76 0.005 . 1 . . . . 136 ALA HA . 7103 1 1605 . 1 1 136 136 ALA HB1 H 1 0.83 0.005 . 1 . . . . 136 ALA HB . 7103 1 1606 . 1 1 136 136 ALA HB2 H 1 0.83 0.005 . 1 . . . . 136 ALA HB . 7103 1 1607 . 1 1 136 136 ALA HB3 H 1 0.83 0.005 . 1 . . . . 136 ALA HB . 7103 1 1608 . 1 1 136 136 ALA C C 13 177.6 0.2 . 1 . . . . 136 ALA C . 7103 1 1609 . 1 1 136 136 ALA CA C 13 53.4 0.2 . 1 . . . . 136 ALA CA . 7103 1 1610 . 1 1 136 136 ALA CB C 13 18.9 0.2 . 1 . . . . 136 ALA CB . 7103 1 1611 . 1 1 136 136 ALA N N 15 124.6 0.2 . 1 . . . . 136 ALA N . 7103 1 1612 . 1 1 137 137 HIS H H 1 8.83 0.005 . 1 . . . . 137 HIS H . 7103 1 1613 . 1 1 137 137 HIS HA H 1 3.98 0.005 . 1 . . . . 137 HIS HA . 7103 1 1614 . 1 1 137 137 HIS HB2 H 1 3.59 0.005 . 2 . . . . 137 HIS HB2 . 7103 1 1615 . 1 1 137 137 HIS HB3 H 1 3.25 0.005 . 2 . . . . 137 HIS HB3 . 7103 1 1616 . 1 1 137 137 HIS HD1 H 1 7.82 0.005 . 1 . . . . 137 HIS HD1 . 7103 1 1617 . 1 1 137 137 HIS HD2 H 1 6.95 0.005 . 1 . . . . 137 HIS HD2 . 7103 1 1618 . 1 1 137 137 HIS HE1 H 1 7.98 0.005 . 1 . . . . 137 HIS HE1 . 7103 1 1619 . 1 1 137 137 HIS CA C 13 57.4 0.2 . 1 . . . . 137 HIS CA . 7103 1 1620 . 1 1 137 137 HIS CB C 13 27.5 0.2 . 1 . . . . 137 HIS CB . 7103 1 1621 . 1 1 137 137 HIS CD2 C 13 119.9 0.2 . 1 . . . . 137 HIS CD2 . 7103 1 1622 . 1 1 137 137 HIS CE1 C 13 137.7 0.2 . 1 . . . . 137 HIS CE1 . 7103 1 1623 . 1 1 137 137 HIS N N 15 113.1 0.2 . 1 . . . . 137 HIS N . 7103 1 1624 . 1 1 137 137 HIS ND1 N 15 119.9 0.2 . 1 . . . . 137 HIS ND1 . 7103 1 1625 . 1 1 138 138 THR H H 1 8.23 0.005 . 1 . . . . 138 THR H . 7103 1 1626 . 1 1 138 138 THR HA H 1 4.72 0.005 . 1 . . . . 138 THR HA . 7103 1 1627 . 1 1 138 138 THR HB H 1 4.17 0.005 . 1 . . . . 138 THR HB . 7103 1 1628 . 1 1 138 138 THR HG21 H 1 1.15 0.005 . 1 . . . . 138 THR HG2 . 7103 1 1629 . 1 1 138 138 THR HG22 H 1 1.15 0.005 . 1 . . . . 138 THR HG2 . 7103 1 1630 . 1 1 138 138 THR HG23 H 1 1.15 0.005 . 1 . . . . 138 THR HG2 . 7103 1 1631 . 1 1 138 138 THR C C 13 174.8 0.2 . 1 . . . . 138 THR C . 7103 1 1632 . 1 1 138 138 THR CA C 13 61.0 0.2 . 1 . . . . 138 THR CA . 7103 1 1633 . 1 1 138 138 THR CB C 13 69.9 0.2 . 1 . . . . 138 THR CB . 7103 1 1634 . 1 1 138 138 THR CG2 C 13 20.9 0.2 . 1 . . . . 138 THR CG2 . 7103 1 1635 . 1 1 138 138 THR N N 15 118.3 0.2 . 1 . . . . 138 THR N . 7103 1 1636 . 1 1 139 139 PRO HA H 1 5.08 0.005 . 1 . . . . 139 PRO HA . 7103 1 1637 . 1 1 139 139 PRO HB2 H 1 2.47 0.005 . 2 . . . . 139 PRO HB2 . 7103 1 1638 . 1 1 139 139 PRO HB3 H 1 2.28 0.005 . 2 . . . . 139 PRO HB3 . 7103 1 1639 . 1 1 139 139 PRO HG2 H 1 2.12 0.005 . 2 . . . . 139 PRO HG2 . 7103 1 1640 . 1 1 139 139 PRO HG3 H 1 1.97 0.005 . 2 . . . . 139 PRO HG3 . 7103 1 1641 . 1 1 139 139 PRO HD2 H 1 3.70 0.005 . 2 . . . . 139 PRO HD2 . 7103 1 1642 . 1 1 139 139 PRO HD3 H 1 3.54 0.005 . 2 . . . . 139 PRO HD3 . 7103 1 1643 . 1 1 139 139 PRO C C 13 176.1 0.2 . 1 . . . . 139 PRO C . 7103 1 1644 . 1 1 139 139 PRO CA C 13 62.8 0.2 . 1 . . . . 139 PRO CA . 7103 1 1645 . 1 1 139 139 PRO CB C 13 32.5 0.2 . 1 . . . . 139 PRO CB . 7103 1 1646 . 1 1 139 139 PRO CG C 13 27.7 0.2 . 1 . . . . 139 PRO CG . 7103 1 1647 . 1 1 139 139 PRO CD C 13 50.5 0.2 . 1 . . . . 139 PRO CD . 7103 1 1648 . 1 1 140 140 HIS H H 1 8.90 0.005 . 1 . . . . 140 HIS H . 7103 1 1649 . 1 1 140 140 HIS HA H 1 5.65 0.005 . 1 . . . . 140 HIS HA . 7103 1 1650 . 1 1 140 140 HIS HB2 H 1 2.85 0.005 . 2 . . . . 140 HIS HB2 . 7103 1 1651 . 1 1 140 140 HIS HB3 H 1 2.81 0.005 . 2 . . . . 140 HIS HB3 . 7103 1 1652 . 1 1 140 140 HIS HD2 H 1 6.91 0.005 . 1 . . . . 140 HIS HD2 . 7103 1 1653 . 1 1 140 140 HIS HE1 H 1 7.73 0.005 . 1 . . . . 140 HIS HE1 . 7103 1 1654 . 1 1 140 140 HIS C C 13 175.7 0.2 . 1 . . . . 140 HIS C . 7103 1 1655 . 1 1 140 140 HIS CA C 13 55.6 0.2 . 1 . . . . 140 HIS CA . 7103 1 1656 . 1 1 140 140 HIS CB C 13 32.4 0.2 . 1 . . . . 140 HIS CB . 7103 1 1657 . 1 1 140 140 HIS CD2 C 13 125.5 0.2 . 1 . . . . 140 HIS CD2 . 7103 1 1658 . 1 1 140 140 HIS CE1 C 13 138.9 0.2 . 1 . . . . 140 HIS CE1 . 7103 1 1659 . 1 1 140 140 HIS N N 15 118.6 0.2 . 1 . . . . 140 HIS N . 7103 1 1660 . 1 1 140 140 HIS ND1 N 15 125.5 0.2 . 1 . . . . 140 HIS ND1 . 7103 1 1661 . 1 1 141 141 TRP H H 1 8.31 0.005 . 1 . . . . 141 TRP H . 7103 1 1662 . 1 1 141 141 TRP HA H 1 5.05 0.005 . 1 . . . . 141 TRP HA . 7103 1 1663 . 1 1 141 141 TRP HB2 H 1 3.52 0.005 . 2 . . . . 141 TRP HB2 . 7103 1 1664 . 1 1 141 141 TRP HB3 H 1 3.07 0.005 . 2 . . . . 141 TRP HB3 . 7103 1 1665 . 1 1 141 141 TRP HD1 H 1 6.93 0.005 . 1 . . . . 141 TRP HD1 . 7103 1 1666 . 1 1 141 141 TRP HE1 H 1 10.53 0.005 . 1 . . . . 141 TRP HE1 . 7103 1 1667 . 1 1 141 141 TRP HE3 H 1 6.80 0.005 . 1 . . . . 141 TRP HE3 . 7103 1 1668 . 1 1 141 141 TRP HZ2 H 1 7.30 0.005 . 1 . . . . 141 TRP HZ2 . 7103 1 1669 . 1 1 141 141 TRP HZ3 H 1 6.96 0.005 . 1 . . . . 141 TRP HZ3 . 7103 1 1670 . 1 1 141 141 TRP HH2 H 1 6.81 0.005 . 1 . . . . 141 TRP HH2 . 7103 1 1671 . 1 1 141 141 TRP C C 13 173.2 0.2 . 1 . . . . 141 TRP C . 7103 1 1672 . 1 1 141 141 TRP CA C 13 58.1 0.2 . 1 . . . . 141 TRP CA . 7103 1 1673 . 1 1 141 141 TRP CB C 13 30.8 0.2 . 1 . . . . 141 TRP CB . 7103 1 1674 . 1 1 141 141 TRP CD1 C 13 127.6 0.2 . 1 . . . . 141 TRP CD1 . 7103 1 1675 . 1 1 141 141 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 141 TRP CZ2 . 7103 1 1676 . 1 1 141 141 TRP CZ3 C 13 121.0 0.2 . 1 . . . . 141 TRP CZ3 . 7103 1 1677 . 1 1 141 141 TRP CH2 C 13 123.6 0.2 . 1 . . . . 141 TRP CH2 . 7103 1 1678 . 1 1 141 141 TRP N N 15 117.8 0.2 . 1 . . . . 141 TRP N . 7103 1 1679 . 1 1 141 141 TRP NE1 N 15 132.2 0.2 . 1 . . . . 141 TRP NE1 . 7103 1 1680 . 1 1 142 142 PHE H H 1 8.73 0.005 . 1 . . . . 142 PHE H . 7103 1 1681 . 1 1 142 142 PHE HA H 1 5.56 0.005 . 1 . . . . 142 PHE HA . 7103 1 1682 . 1 1 142 142 PHE HB2 H 1 3.08 0.005 . 2 . . . . 142 PHE HB2 . 7103 1 1683 . 1 1 142 142 PHE HB3 H 1 3.00 0.005 . 9 . . . . 142 PHE HB3 . 7103 1 1684 . 1 1 142 142 PHE HD1 H 1 7.29 0.005 . 3 . . . . 142 PHE HD1 . 7103 1 1685 . 1 1 142 142 PHE HE1 H 1 6.78 0.005 . 3 . . . . 142 PHE HE1 . 7103 1 1686 . 1 1 142 142 PHE HZ H 1 6.24 0.005 . 1 . . . . 142 PHE HZ . 7103 1 1687 . 1 1 142 142 PHE C C 13 178.1 0.2 . 1 . . . . 142 PHE C . 7103 1 1688 . 1 1 142 142 PHE CA C 13 57.7 0.2 . 1 . . . . 142 PHE CA . 7103 1 1689 . 1 1 142 142 PHE CB C 13 41.3 0.2 . 1 . . . . 142 PHE CB . 7103 1 1690 . 1 1 142 142 PHE CD1 C 13 132.7 0.2 . 3 . . . . 142 PHE CD1 . 7103 1 1691 . 1 1 142 142 PHE CE1 C 13 130.5 0.2 . 3 . . . . 142 PHE CE1 . 7103 1 1692 . 1 1 142 142 PHE CZ C 13 128.0 0.2 . 1 . . . . 142 PHE CZ . 7103 1 1693 . 1 1 142 142 PHE N N 15 116.7 0.2 . 1 . . . . 142 PHE N . 7103 1 1694 . 1 1 143 143 ASP H H 1 8.59 0.005 . 1 . . . . 143 ASP H . 7103 1 1695 . 1 1 143 143 ASP HA H 1 4.95 0.005 . 1 . . . . 143 ASP HA . 7103 1 1696 . 1 1 143 143 ASP HB2 H 1 2.82 0.005 . 2 . . . . 143 ASP HB2 . 7103 1 1697 . 1 1 143 143 ASP HB3 H 1 2.51 0.005 . 2 . . . . 143 ASP HB3 . 7103 1 1698 . 1 1 143 143 ASP C C 13 174.9 0.2 . 1 . . . . 143 ASP C . 7103 1 1699 . 1 1 143 143 ASP CA C 13 54.0 0.2 . 1 . . . . 143 ASP CA . 7103 1 1700 . 1 1 143 143 ASP CB C 13 43.7 0.2 . 1 . . . . 143 ASP CB . 7103 1 1701 . 1 1 143 143 ASP N N 15 121.6 0.2 . 1 . . . . 143 ASP N . 7103 1 1702 . 1 1 144 144 MET H H 1 8.92 0.005 . 1 . . . . 144 MET H . 7103 1 1703 . 1 1 144 144 MET HA H 1 4.45 0.005 . 1 . . . . 144 MET HA . 7103 1 1704 . 1 1 144 144 MET HB2 H 1 2.74 0.005 . 2 . . . . 144 MET HB2 . 7103 1 1705 . 1 1 144 144 MET HB3 H 1 2.16 0.005 . 2 . . . . 144 MET HB3 . 7103 1 1706 . 1 1 144 144 MET HG2 H 1 2.37 0.005 . 2 . . . . 144 MET HG2 . 7103 1 1707 . 1 1 144 144 MET HE1 H 1 2.07 0.005 . 1 . . . . 144 MET HE . 7103 1 1708 . 1 1 144 144 MET HE2 H 1 2.07 0.005 . 1 . . . . 144 MET HE . 7103 1 1709 . 1 1 144 144 MET HE3 H 1 2.07 0.005 . 1 . . . . 144 MET HE . 7103 1 1710 . 1 1 144 144 MET C C 13 177.3 0.2 . 1 . . . . 144 MET C . 7103 1 1711 . 1 1 144 144 MET CA C 13 56.2 0.2 . 1 . . . . 144 MET CA . 7103 1 1712 . 1 1 144 144 MET CB C 13 32.5 0.2 . 1 . . . . 144 MET CB . 7103 1 1713 . 1 1 144 144 MET CE C 13 17.2 0.2 . 1 . . . . 144 MET CE . 7103 1 1714 . 1 1 144 144 MET N N 15 125.1 0.2 . 1 . . . . 144 MET N . 7103 1 1715 . 1 1 145 145 GLY H H 1 8.75 0.005 . 1 . . . . 145 GLY H . 7103 1 1716 . 1 1 145 145 GLY HA2 H 1 3.90 0.005 . 2 . . . . 145 GLY HA2 . 7103 1 1717 . 1 1 145 145 GLY HA3 H 1 3.85 0.005 . 2 . . . . 145 GLY HA3 . 7103 1 1718 . 1 1 145 145 GLY C C 13 174.2 0.2 . 1 . . . . 145 GLY C . 7103 1 1719 . 1 1 145 145 GLY CA C 13 45.5 0.2 . 1 . . . . 145 GLY CA . 7103 1 1720 . 1 1 145 145 GLY N N 15 109.7 0.2 . 1 . . . . 145 GLY N . 7103 1 1721 . 1 1 146 146 SER H H 1 7.74 0.005 . 1 . . . . 146 SER H . 7103 1 1722 . 1 1 146 146 SER HA H 1 4.43 0.005 . 1 . . . . 146 SER HA . 7103 1 1723 . 1 1 146 146 SER HB2 H 1 3.86 0.005 . 2 . . . . 146 SER HB2 . 7103 1 1724 . 1 1 146 146 SER HB3 H 1 3.83 0.005 . 2 . . . . 146 SER HB3 . 7103 1 1725 . 1 1 146 146 SER C C 13 172.9 0.2 . 1 . . . . 146 SER C . 7103 1 1726 . 1 1 146 146 SER CA C 13 58.4 0.2 . 1 . . . . 146 SER CA . 7103 1 1727 . 1 1 146 146 SER CB C 13 63.8 0.2 . 1 . . . . 146 SER CB . 7103 1 1728 . 1 1 146 146 SER N N 15 113.6 0.2 . 1 . . . . 146 SER N . 7103 1 1729 . 1 1 147 147 GLU H H 1 8.21 0.005 . 1 . . . . 147 GLU H . 7103 1 1730 . 1 1 147 147 GLU HA H 1 4.33 0.005 . 1 . . . . 147 GLU HA . 7103 1 1731 . 1 1 147 147 GLU HB2 H 1 2.03 0.005 . 2 . . . . 147 GLU HB2 . 7103 1 1732 . 1 1 147 147 GLU HG2 H 1 2.17 0.005 . 2 . . . . 147 GLU HG2 . 7103 1 1733 . 1 1 147 147 GLU CA C 13 55.3 0.2 . 1 . . . . 147 GLU CA . 7103 1 1734 . 1 1 147 147 GLU CB C 13 28.8 0.2 . 1 . . . . 147 GLU CB . 7103 1 1735 . 1 1 147 147 GLU N N 15 120.6 0.2 . 1 . . . . 147 GLU N . 7103 1 1736 . 1 1 148 148 PRO HA H 1 4.59 0.005 . 1 . . . . 148 PRO HA . 7103 1 1737 . 1 1 148 148 PRO HB2 H 1 2.40 0.005 . 2 . . . . 148 PRO HB2 . 7103 1 1738 . 1 1 148 148 PRO HB3 H 1 1.95 0.005 . 2 . . . . 148 PRO HB3 . 7103 1 1739 . 1 1 148 148 PRO HG2 H 1 2.02 0.005 . 9 . . . . 148 PRO HG2 . 7103 1 1740 . 1 1 148 148 PRO HD2 H 1 3.83 0.005 . 2 . . . . 148 PRO HD2 . 7103 1 1741 . 1 1 148 148 PRO HD3 H 1 3.70 0.005 . 2 . . . . 148 PRO HD3 . 7103 1 1742 . 1 1 148 148 PRO C C 13 174.3 0.2 . 1 . . . . 148 PRO C . 7103 1 1743 . 1 1 148 148 PRO CA C 13 63.4 0.2 . 1 . . . . 148 PRO CA . 7103 1 1744 . 1 1 148 148 PRO CB C 13 32.5 0.2 . 1 . . . . 148 PRO CB . 7103 1 1745 . 1 1 148 148 PRO CG C 13 27.5 0.2 . 1 . . . . 148 PRO CG . 7103 1 1746 . 1 1 148 148 PRO CD C 13 50.8 0.2 . 1 . . . . 148 PRO CD . 7103 1 1747 . 1 1 149 149 ASN H H 1 8.33 0.005 . 1 . . . . 149 ASN H . 7103 1 1748 . 1 1 149 149 ASN HA H 1 5.20 0.005 . 1 . . . . 149 ASN HA . 7103 1 1749 . 1 1 149 149 ASN HB2 H 1 2.94 0.005 . 2 . . . . 149 ASN HB2 . 7103 1 1750 . 1 1 149 149 ASN HB3 H 1 2.81 0.005 . 2 . . . . 149 ASN HB3 . 7103 1 1751 . 1 1 149 149 ASN HD21 H 1 7.57 0.005 . 2 . . . . 149 ASN HD21 . 7103 1 1752 . 1 1 149 149 ASN HD22 H 1 6.81 0.005 . 2 . . . . 149 ASN HD22 . 7103 1 1753 . 1 1 149 149 ASN C C 13 173.9 0.2 . 1 . . . . 149 ASN C . 7103 1 1754 . 1 1 149 149 ASN CA C 13 53.1 0.2 . 1 . . . . 149 ASN CA . 7103 1 1755 . 1 1 149 149 ASN CB C 13 39.5 0.2 . 1 . . . . 149 ASN CB . 7103 1 1756 . 1 1 149 149 ASN N N 15 118.1 0.2 . 1 . . . . 149 ASN N . 7103 1 1757 . 1 1 149 149 ASN ND2 N 15 112.5 0.2 . 1 . . . . 149 ASN ND2 . 7103 1 1758 . 1 1 150 150 PHE H H 1 7.78 0.005 . 1 . . . . 150 PHE H . 7103 1 1759 . 1 1 150 150 PHE HA H 1 5.20 0.005 . 1 . . . . 150 PHE HA . 7103 1 1760 . 1 1 150 150 PHE HB2 H 1 3.25 0.005 . 2 . . . . 150 PHE HB2 . 7103 1 1761 . 1 1 150 150 PHE HB3 H 1 3.07 0.005 . 2 . . . . 150 PHE HB3 . 7103 1 1762 . 1 1 150 150 PHE HD1 H 1 6.81 0.005 . 3 . . . . 150 PHE HD1 . 7103 1 1763 . 1 1 150 150 PHE HE1 H 1 6.47 0.005 . 3 . . . . 150 PHE HE1 . 7103 1 1764 . 1 1 150 150 PHE HZ H 1 5.71 0.005 . 1 . . . . 150 PHE HZ . 7103 1 1765 . 1 1 150 150 PHE C C 13 173.3 0.2 . 1 . . . . 150 PHE C . 7103 1 1766 . 1 1 150 150 PHE CA C 13 57.1 0.2 . 1 . . . . 150 PHE CA . 7103 1 1767 . 1 1 150 150 PHE CB C 13 41.3 0.2 . 1 . . . . 150 PHE CB . 7103 1 1768 . 1 1 150 150 PHE CD1 C 13 131.8 0.2 . 3 . . . . 150 PHE CD1 . 7103 1 1769 . 1 1 150 150 PHE CE1 C 13 130.2 0.2 . 3 . . . . 150 PHE CE1 . 7103 1 1770 . 1 1 150 150 PHE CZ C 13 130.0 0.2 . 1 . . . . 150 PHE CZ . 7103 1 1771 . 1 1 150 150 PHE N N 15 118.1 0.2 . 1 . . . . 150 PHE N . 7103 1 1772 . 1 1 151 151 THR H H 1 8.27 0.005 . 1 . . . . 151 THR H . 7103 1 1773 . 1 1 151 151 THR HA H 1 4.83 0.005 . 1 . . . . 151 THR HA . 7103 1 1774 . 1 1 151 151 THR HB H 1 3.58 0.005 . 1 . . . . 151 THR HB . 7103 1 1775 . 1 1 151 151 THR HG21 H 1 0.86 0.005 . 1 . . . . 151 THR HG2 . 7103 1 1776 . 1 1 151 151 THR HG22 H 1 0.86 0.005 . 1 . . . . 151 THR HG2 . 7103 1 1777 . 1 1 151 151 THR HG23 H 1 0.86 0.005 . 1 . . . . 151 THR HG2 . 7103 1 1778 . 1 1 151 151 THR C C 13 172.8 0.2 . 1 . . . . 151 THR C . 7103 1 1779 . 1 1 151 151 THR CA C 13 62.5 0.2 . 1 . . . . 151 THR CA . 7103 1 1780 . 1 1 151 151 THR CB C 13 71.0 0.2 . 1 . . . . 151 THR CB . 7103 1 1781 . 1 1 151 151 THR CG2 C 13 22.5 0.2 . 1 . . . . 151 THR CG2 . 7103 1 1782 . 1 1 151 151 THR N N 15 115.2 0.2 . 1 . . . . 151 THR N . 7103 1 1783 . 1 1 152 152 ALA H H 1 9.37 0.005 . 1 . . . . 152 ALA H . 7103 1 1784 . 1 1 152 152 ALA HA H 1 5.05 0.005 . 1 . . . . 152 ALA HA . 7103 1 1785 . 1 1 152 152 ALA HB1 H 1 0.28 0.005 . 1 . . . . 152 ALA HB . 7103 1 1786 . 1 1 152 152 ALA HB2 H 1 0.28 0.005 . 1 . . . . 152 ALA HB . 7103 1 1787 . 1 1 152 152 ALA HB3 H 1 0.28 0.005 . 1 . . . . 152 ALA HB . 7103 1 1788 . 1 1 152 152 ALA C C 13 174.4 0.2 . 1 . . . . 152 ALA C . 7103 1 1789 . 1 1 152 152 ALA CA C 13 50.2 0.2 . 1 . . . . 152 ALA CA . 7103 1 1790 . 1 1 152 152 ALA CB C 13 20.7 0.2 . 1 . . . . 152 ALA CB . 7103 1 1791 . 1 1 152 152 ALA N N 15 128.7 0.2 . 1 . . . . 152 ALA N . 7103 1 1792 . 1 1 153 153 ILE H H 1 8.88 0.005 . 1 . . . . 153 ILE H . 7103 1 1793 . 1 1 153 153 ILE HA H 1 4.47 0.005 . 1 . . . . 153 ILE HA . 7103 1 1794 . 1 1 153 153 ILE HB H 1 1.49 0.005 . 1 . . . . 153 ILE HB . 7103 1 1795 . 1 1 153 153 ILE HG12 H 1 0.72 0.005 . 2 . . . . 153 ILE HG12 . 7103 1 1796 . 1 1 153 153 ILE HG13 H 1 1.34 0.005 . 2 . . . . 153 ILE HG13 . 7103 1 1797 . 1 1 153 153 ILE HG21 H 1 0.79 0.005 . 1 . . . . 153 ILE HG2 . 7103 1 1798 . 1 1 153 153 ILE HG22 H 1 0.79 0.005 . 1 . . . . 153 ILE HG2 . 7103 1 1799 . 1 1 153 153 ILE HG23 H 1 0.79 0.005 . 1 . . . . 153 ILE HG2 . 7103 1 1800 . 1 1 153 153 ILE HD11 H 1 0.61 0.005 . 1 . . . . 153 ILE HD1 . 7103 1 1801 . 1 1 153 153 ILE HD12 H 1 0.61 0.005 . 1 . . . . 153 ILE HD1 . 7103 1 1802 . 1 1 153 153 ILE HD13 H 1 0.61 0.005 . 1 . . . . 153 ILE HD1 . 7103 1 1803 . 1 1 153 153 ILE C C 13 174.4 0.2 . 1 . . . . 153 ILE C . 7103 1 1804 . 1 1 153 153 ILE CA C 13 60.3 0.2 . 1 . . . . 153 ILE CA . 7103 1 1805 . 1 1 153 153 ILE CB C 13 40.4 0.2 . 1 . . . . 153 ILE CB . 7103 1 1806 . 1 1 153 153 ILE CG1 C 13 28.2 0.2 . 1 . . . . 153 ILE CG1 . 7103 1 1807 . 1 1 153 153 ILE CG2 C 13 17.4 0.2 . 1 . . . . 153 ILE CG2 . 7103 1 1808 . 1 1 153 153 ILE CD1 C 13 14.6 0.2 . 1 . . . . 153 ILE CD1 . 7103 1 1809 . 1 1 153 153 ILE N N 15 121.2 0.2 . 1 . . . . 153 ILE N . 7103 1 1810 . 1 1 154 154 ARG H H 1 9.34 0.005 . 1 . . . . 154 ARG H . 7103 1 1811 . 1 1 154 154 ARG HA H 1 5.11 0.005 . 1 . . . . 154 ARG HA . 7103 1 1812 . 1 1 154 154 ARG HB2 H 1 1.95 0.005 . 2 . . . . 154 ARG HB2 . 7103 1 1813 . 1 1 154 154 ARG HB3 H 1 1.49 0.005 . 2 . . . . 154 ARG HB3 . 7103 1 1814 . 1 1 154 154 ARG HG2 H 1 1.41 0.005 . 2 . . . . 154 ARG HG2 . 7103 1 1815 . 1 1 154 154 ARG HD2 H 1 2.79 0.005 . 2 . . . . 154 ARG HD2 . 7103 1 1816 . 1 1 154 154 ARG HD3 H 1 3.01 0.005 . 2 . . . . 154 ARG HD3 . 7103 1 1817 . 1 1 154 154 ARG HE H 1 7.95 0.005 . 1 . . . . 154 ARG HE . 7103 1 1818 . 1 1 154 154 ARG C C 13 175.0 0.2 . 1 . . . . 154 ARG C . 7103 1 1819 . 1 1 154 154 ARG CA C 13 54.5 0.2 . 1 . . . . 154 ARG CA . 7103 1 1820 . 1 1 154 154 ARG CB C 13 33.4 0.2 . 1 . . . . 154 ARG CB . 7103 1 1821 . 1 1 154 154 ARG CD C 13 43.5 0.2 . 1 . . . . 154 ARG CD . 7103 1 1822 . 1 1 154 154 ARG N N 15 128.8 0.2 . 1 . . . . 154 ARG N . 7103 1 1823 . 1 1 154 154 ARG NE N 15 87.3 0.2 . 1 . . . . 154 ARG NE . 7103 1 1824 . 1 1 155 155 ILE H H 1 8.80 0.005 . 1 . . . . 155 ILE H . 7103 1 1825 . 1 1 155 155 ILE HA H 1 4.95 0.005 . 1 . . . . 155 ILE HA . 7103 1 1826 . 1 1 155 155 ILE HB H 1 1.38 0.005 . 1 . . . . 155 ILE HB . 7103 1 1827 . 1 1 155 155 ILE HG12 H 1 0.96 0.005 . 2 . . . . 155 ILE HG12 . 7103 1 1828 . 1 1 155 155 ILE HG13 H 1 1.42 0.005 . 2 . . . . 155 ILE HG13 . 7103 1 1829 . 1 1 155 155 ILE HG21 H 1 0.79 0.005 . 1 . . . . 155 ILE HG2 . 7103 1 1830 . 1 1 155 155 ILE HG22 H 1 0.79 0.005 . 1 . . . . 155 ILE HG2 . 7103 1 1831 . 1 1 155 155 ILE HG23 H 1 0.79 0.005 . 1 . . . . 155 ILE HG2 . 7103 1 1832 . 1 1 155 155 ILE HD11 H 1 0.60 0.005 . 1 . . . . 155 ILE HD1 . 7103 1 1833 . 1 1 155 155 ILE HD12 H 1 0.60 0.005 . 1 . . . . 155 ILE HD1 . 7103 1 1834 . 1 1 155 155 ILE HD13 H 1 0.60 0.005 . 1 . . . . 155 ILE HD1 . 7103 1 1835 . 1 1 155 155 ILE CA C 13 61.4 0.2 . 1 . . . . 155 ILE CA . 7103 1 1836 . 1 1 155 155 ILE CB C 13 40.0 0.2 . 1 . . . . 155 ILE CB . 7103 1 1837 . 1 1 155 155 ILE CG1 C 13 29.4 0.2 . 1 . . . . 155 ILE CG1 . 7103 1 1838 . 1 1 155 155 ILE CG2 C 13 20.6 0.2 . 1 . . . . 155 ILE CG2 . 7103 1 1839 . 1 1 155 155 ILE CD1 C 13 15.9 0.2 . 1 . . . . 155 ILE CD1 . 7103 1 1840 . 1 1 155 155 ILE N N 15 126.2 0.2 . 1 . . . . 155 ILE N . 7103 1 1841 . 1 1 156 156 PHE H H 1 8.75 0.005 . 1 . . . . 156 PHE H . 7103 1 1842 . 1 1 156 156 PHE HA H 1 4.96 0.005 . 1 . . . . 156 PHE HA . 7103 1 1843 . 1 1 156 156 PHE HB2 H 1 2.90 0.005 . 2 . . . . 156 PHE HB2 . 7103 1 1844 . 1 1 156 156 PHE HB3 H 1 3.13 0.005 . 2 . . . . 156 PHE HB3 . 7103 1 1845 . 1 1 156 156 PHE HD1 H 1 6.85 0.005 . 3 . . . . 156 PHE HD1 . 7103 1 1846 . 1 1 156 156 PHE HE1 H 1 7.02 0.005 . 3 . . . . 156 PHE HE1 . 7103 1 1847 . 1 1 156 156 PHE CA C 13 56.4 0.2 . 1 . . . . 156 PHE CA . 7103 1 1848 . 1 1 156 156 PHE CB C 13 40.1 0.2 . 1 . . . . 156 PHE CB . 7103 1 1849 . 1 1 156 156 PHE CD1 C 13 132.8 0.2 . 3 . . . . 156 PHE CD1 . 7103 1 1850 . 1 1 156 156 PHE N N 15 122.5 0.2 . 1 . . . . 156 PHE N . 7103 1 1851 . 1 1 159 159 PRO HA H 1 4.36 0.005 . 1 . . . . 159 PRO HA . 7103 1 1852 . 1 1 159 159 PRO HB2 H 1 2.26 0.005 . 2 . . . . 159 PRO HB2 . 7103 1 1853 . 1 1 159 159 PRO HB3 H 1 1.94 0.005 . 2 . . . . 159 PRO HB3 . 7103 1 1854 . 1 1 159 159 PRO HD2 H 1 3.72 0.005 . 2 . . . . 159 PRO HD2 . 7103 1 1855 . 1 1 159 159 PRO HD3 H 1 3.66 0.005 . 2 . . . . 159 PRO HD3 . 7103 1 1856 . 1 1 159 159 PRO C C 13 177.3 0.2 . 1 . . . . 159 PRO C . 7103 1 1857 . 1 1 159 159 PRO CA C 13 63.3 0.2 . 1 . . . . 159 PRO CA . 7103 1 1858 . 1 1 159 159 PRO CB C 13 32.1 0.2 . 1 . . . . 159 PRO CB . 7103 1 1859 . 1 1 160 160 GLU H H 1 8.48 0.005 . 1 . . . . 160 GLU H . 7103 1 1860 . 1 1 160 160 GLU HA H 1 4.16 0.005 . 1 . . . . 160 GLU HA . 7103 1 1861 . 1 1 160 160 GLU HB2 H 1 1.95 0.005 . 2 . . . . 160 GLU HB2 . 7103 1 1862 . 1 1 160 160 GLU HG2 H 1 2.24 0.005 . 2 . . . . 160 GLU HG2 . 7103 1 1863 . 1 1 160 160 GLU C C 13 177.3 0.2 . 1 . . . . 160 GLU C . 7103 1 1864 . 1 1 160 160 GLU CA C 13 57.5 0.2 . 1 . . . . 160 GLU CA . 7103 1 1865 . 1 1 160 160 GLU CB C 13 29.9 0.2 . 1 . . . . 160 GLU CB . 7103 1 1866 . 1 1 160 160 GLU CG C 13 36.4 0.2 . 1 . . . . 160 GLU CG . 7103 1 1867 . 1 1 160 160 GLU N N 15 121.0 0.2 . 1 . . . . 160 GLU N . 7103 1 1868 . 1 1 161 161 GLY H H 1 8.47 0.005 . 1 . . . . 161 GLY H . 7103 1 1869 . 1 1 161 161 GLY HA2 H 1 3.89 0.005 . 2 . . . . 161 GLY HA2 . 7103 1 1870 . 1 1 161 161 GLY HA3 H 1 3.84 0.005 . 2 . . . . 161 GLY HA3 . 7103 1 1871 . 1 1 161 161 GLY CA C 13 45.5 0.2 . 1 . . . . 161 GLY CA . 7103 1 1872 . 1 1 161 161 GLY N N 15 110.5 0.2 . 1 . . . . 161 GLY N . 7103 1 1873 . 1 1 162 162 TRP H H 1 7.77 0.005 . 1 . . . . 162 TRP H . 7103 1 1874 . 1 1 162 162 TRP HA H 1 4.45 0.005 . 1 . . . . 162 TRP HA . 7103 1 1875 . 1 1 162 162 TRP HB2 H 1 3.18 0.005 . 2 . . . . 162 TRP HB2 . 7103 1 1876 . 1 1 162 162 TRP HB3 H 1 1.96 0.005 . 2 . . . . 162 TRP HB3 . 7103 1 1877 . 1 1 162 162 TRP HD1 H 1 7.11 0.005 . 1 . . . . 162 TRP HD1 . 7103 1 1878 . 1 1 162 162 TRP HE1 H 1 9.97 0.005 . 1 . . . . 162 TRP HE1 . 7103 1 1879 . 1 1 162 162 TRP HE3 H 1 7.50 0.005 . 1 . . . . 162 TRP HE3 . 7103 1 1880 . 1 1 162 162 TRP HZ2 H 1 7.41 0.005 . 1 . . . . 162 TRP HZ2 . 7103 1 1881 . 1 1 162 162 TRP HZ3 H 1 7.00 0.005 . 1 . . . . 162 TRP HZ3 . 7103 1 1882 . 1 1 162 162 TRP HH2 H 1 7.15 0.005 . 1 . . . . 162 TRP HH2 . 7103 1 1883 . 1 1 162 162 TRP CA C 13 58.1 0.2 . 1 . . . . 162 TRP CA . 7103 1 1884 . 1 1 162 162 TRP CB C 13 29.8 0.2 . 1 . . . . 162 TRP CB . 7103 1 1885 . 1 1 162 162 TRP CD1 C 13 127.1 0.2 . 1 . . . . 162 TRP CD1 . 7103 1 1886 . 1 1 162 162 TRP CE3 C 13 120.8 0.2 . 1 . . . . 162 TRP CE3 . 7103 1 1887 . 1 1 162 162 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 162 TRP CZ2 . 7103 1 1888 . 1 1 162 162 TRP CH2 C 13 124.5 0.2 . 1 . . . . 162 TRP CH2 . 7103 1 1889 . 1 1 162 162 TRP N N 15 121.1 0.2 . 1 . . . . 162 TRP N . 7103 1 1890 . 1 1 162 162 TRP NE1 N 15 129.6 0.2 . 1 . . . . 162 TRP NE1 . 7103 1 1891 . 1 1 163 163 ILE H H 1 7.52 0.005 . 9 . . . . 163 ILE H . 7103 1 1892 . 1 1 163 163 ILE HA H 1 3.94 0.005 . 1 . . . . 163 ILE HA . 7103 1 1893 . 1 1 163 163 ILE HB H 1 1.56 0.005 . 1 . . . . 163 ILE HB . 7103 1 1894 . 1 1 163 163 ILE HG12 H 1 0.98 0.005 . 2 . . . . 163 ILE HG12 . 7103 1 1895 . 1 1 163 163 ILE HG13 H 1 1.28 0.005 . 2 . . . . 163 ILE HG13 . 7103 1 1896 . 1 1 163 163 ILE HG21 H 1 0.73 0.005 . 1 . . . . 163 ILE HG2 . 7103 1 1897 . 1 1 163 163 ILE HG22 H 1 0.73 0.005 . 1 . . . . 163 ILE HG2 . 7103 1 1898 . 1 1 163 163 ILE HG23 H 1 0.73 0.005 . 1 . . . . 163 ILE HG2 . 7103 1 1899 . 1 1 163 163 ILE HD11 H 1 0.75 0.005 . 1 . . . . 163 ILE HD1 . 7103 1 1900 . 1 1 163 163 ILE HD12 H 1 0.75 0.005 . 1 . . . . 163 ILE HD1 . 7103 1 1901 . 1 1 163 163 ILE HD13 H 1 0.75 0.005 . 1 . . . . 163 ILE HD1 . 7103 1 1902 . 1 1 163 163 ILE CA C 13 60.4 0.2 . 1 . . . . 163 ILE CA . 7103 1 1903 . 1 1 163 163 ILE CB C 13 39.3 0.2 . 1 . . . . 163 ILE CB . 7103 1 1904 . 1 1 163 163 ILE CG1 C 13 26.8 0.2 . 1 . . . . 163 ILE CG1 . 7103 1 1905 . 1 1 163 163 ILE CG2 C 13 17.2 0.2 . 1 . . . . 163 ILE CG2 . 7103 1 1906 . 1 1 163 163 ILE CD1 C 13 12.9 0.2 . 1 . . . . 163 ILE CD1 . 7103 1 1907 . 1 1 163 163 ILE N N 15 124.3 0.2 . 1 . . . . 163 ILE N . 7103 1 1908 . 1 1 164 164 ALA H H 1 7.95 0.005 . 9 . . . . 164 ALA H . 7103 1 1909 . 1 1 164 164 ALA HA H 1 4.03 0.005 . 1 . . . . 164 ALA HA . 7103 1 1910 . 1 1 164 164 ALA HB1 H 1 1.27 0.005 . 1 . . . . 164 ALA HB . 7103 1 1911 . 1 1 164 164 ALA HB2 H 1 1.27 0.005 . 1 . . . . 164 ALA HB . 7103 1 1912 . 1 1 164 164 ALA HB3 H 1 1.27 0.005 . 1 . . . . 164 ALA HB . 7103 1 1913 . 1 1 164 164 ALA C C 13 177.1 0.2 . 1 . . . . 164 ALA C . 7103 1 1914 . 1 1 164 164 ALA CA C 13 52.6 0.2 . 1 . . . . 164 ALA CA . 7103 1 1915 . 1 1 164 164 ALA CB C 13 19.3 0.2 . 1 . . . . 164 ALA CB . 7103 1 1916 . 1 1 164 164 ALA N N 15 127.9 0.2 . 1 . . . . 164 ALA N . 7103 1 1917 . 1 1 165 165 GLN H H 1 8.06 0.005 . 1 . . . . 165 GLN H . 7103 1 1918 . 1 1 165 165 GLN HA H 1 4.15 0.005 . 1 . . . . 165 GLN HA . 7103 1 1919 . 1 1 165 165 GLN HB2 H 1 1.79 0.005 . 2 . . . . 165 GLN HB2 . 7103 1 1920 . 1 1 165 165 GLN HB3 H 1 1.95 0.005 . 2 . . . . 165 GLN HB3 . 7103 1 1921 . 1 1 165 165 GLN HG2 H 1 2.20 0.005 . 2 . . . . 165 GLN HG2 . 7103 1 1922 . 1 1 165 165 GLN C C 13 177.4 0.2 . 1 . . . . 165 GLN C . 7103 1 1923 . 1 1 165 165 GLN CA C 13 55.7 0.2 . 1 . . . . 165 GLN CA . 7103 1 1924 . 1 1 165 165 GLN CB C 13 30.0 0.2 . 1 . . . . 165 GLN CB . 7103 1 1925 . 1 1 165 165 GLN N N 15 120.0 0.2 . 1 . . . . 165 GLN N . 7103 1 1926 . 1 1 166 166 PHE H H 1 8.23 0.005 . 1 . . . . 166 PHE H . 7103 1 1927 . 1 1 166 166 PHE C C 13 173.3 0.2 . 1 . . . . 166 PHE C . 7103 1 1928 . 1 1 166 166 PHE CA C 13 57.8 0.2 . 1 . . . . 166 PHE CA . 7103 1 1929 . 1 1 166 166 PHE CB C 13 39.7 0.2 . 1 . . . . 166 PHE CB . 7103 1 1930 . 1 1 166 166 PHE N N 15 121.6 0.2 . 1 . . . . 166 PHE N . 7103 1 1931 . 1 1 167 167 THR H H 1 7.70 0.005 . 1 . . . . 167 THR H . 7103 1 1932 . 1 1 167 167 THR HA H 1 4.38 0.005 . 1 . . . . 167 THR HA . 7103 1 1933 . 1 1 167 167 THR HB H 1 4.23 0.005 . 1 . . . . 167 THR HB . 7103 1 1934 . 1 1 167 167 THR HG21 H 1 1.15 0.005 . 1 . . . . 167 THR HG2 . 7103 1 1935 . 1 1 167 167 THR HG22 H 1 1.15 0.005 . 1 . . . . 167 THR HG2 . 7103 1 1936 . 1 1 167 167 THR HG23 H 1 1.15 0.005 . 1 . . . . 167 THR HG2 . 7103 1 1937 . 1 1 167 167 THR CA C 13 61.6 0.2 . 1 . . . . 167 THR CA . 7103 1 1938 . 1 1 167 167 THR CB C 13 69.9 0.2 . 1 . . . . 167 THR CB . 7103 1 1939 . 1 1 167 167 THR CG2 C 13 22.0 0.2 . 1 . . . . 167 THR CG2 . 7103 1 1940 . 1 1 167 167 THR N N 15 117.4 0.2 . 1 . . . . 167 THR N . 7103 1 1941 . 1 1 168 168 GLY H H 1 8.36 0.005 . 1 . . . . 168 GLY H . 7103 1 1942 . 1 1 168 168 GLY C C 13 173.8 0.2 . 1 . . . . 168 GLY C . 7103 1 1943 . 1 1 168 168 GLY CA C 13 45.3 0.2 . 1 . . . . 168 GLY CA . 7103 1 1944 . 1 1 168 168 GLY N N 15 108.4 0.2 . 1 . . . . 168 GLY N . 7103 1 1945 . 1 1 169 169 ASP H H 1 8.18 0.005 . 1 . . . . 169 ASP H . 7103 1 1946 . 1 1 169 169 ASP HA H 1 4.60 0.005 . 1 . . . . 169 ASP HA . 7103 1 1947 . 1 1 169 169 ASP HB2 H 1 2.67 0.005 . 2 . . . . 169 ASP HB2 . 7103 1 1948 . 1 1 169 169 ASP HB3 H 1 2.57 0.005 . 2 . . . . 169 ASP HB3 . 7103 1 1949 . 1 1 169 169 ASP C C 13 176.3 0.2 . 1 . . . . 169 ASP C . 7103 1 1950 . 1 1 169 169 ASP CA C 13 54.6 0.2 . 1 . . . . 169 ASP CA . 7103 1 1951 . 1 1 169 169 ASP CB C 13 41.3 0.2 . 1 . . . . 169 ASP CB . 7103 1 1952 . 1 1 169 169 ASP N N 15 120.4 0.2 . 1 . . . . 169 ASP N . 7103 1 1953 . 1 1 170 170 ASP H H 1 8.34 0.005 . 1 . . . . 170 ASP H . 7103 1 1954 . 1 1 170 170 ASP HA H 1 4.57 0.005 . 1 . . . . 170 ASP HA . 7103 1 1955 . 1 1 170 170 ASP HB2 H 1 2.63 0.005 . 2 . . . . 170 ASP HB2 . 7103 1 1956 . 1 1 170 170 ASP HB3 H 1 2.57 0.005 . 2 . . . . 170 ASP HB3 . 7103 1 1957 . 1 1 170 170 ASP C C 13 176.0 0.2 . 1 . . . . 170 ASP C . 7103 1 1958 . 1 1 170 170 ASP CA C 13 54.6 0.2 . 1 . . . . 170 ASP CA . 7103 1 1959 . 1 1 170 170 ASP CB C 13 40.9 0.2 . 1 . . . . 170 ASP CB . 7103 1 1960 . 1 1 170 170 ASP N N 15 120.5 0.2 . 1 . . . . 170 ASP N . 7103 1 1961 . 1 1 171 171 ILE H H 1 8.19 0.005 . 1 . . . . 171 ILE H . 7103 1 1962 . 1 1 171 171 ILE HA H 1 4.13 0.005 . 1 . . . . 171 ILE HA . 7103 1 1963 . 1 1 171 171 ILE HB H 1 1.87 0.005 . 1 . . . . 171 ILE HB . 7103 1 1964 . 1 1 171 171 ILE HG12 H 1 1.15 0.005 . 2 . . . . 171 ILE HG12 . 7103 1 1965 . 1 1 171 171 ILE HG13 H 1 1.44 0.005 . 2 . . . . 171 ILE HG13 . 7103 1 1966 . 1 1 171 171 ILE HG21 H 1 0.88 0.005 . 1 . . . . 171 ILE HG2 . 7103 1 1967 . 1 1 171 171 ILE HG22 H 1 0.88 0.005 . 1 . . . . 171 ILE HG2 . 7103 1 1968 . 1 1 171 171 ILE HG23 H 1 0.88 0.005 . 1 . . . . 171 ILE HG2 . 7103 1 1969 . 1 1 171 171 ILE HD11 H 1 0.84 0.005 . 1 . . . . 171 ILE HD1 . 7103 1 1970 . 1 1 171 171 ILE HD12 H 1 0.84 0.005 . 1 . . . . 171 ILE HD1 . 7103 1 1971 . 1 1 171 171 ILE HD13 H 1 0.84 0.005 . 1 . . . . 171 ILE HD1 . 7103 1 1972 . 1 1 171 171 ILE C C 13 176.4 0.2 . 1 . . . . 171 ILE C . 7103 1 1973 . 1 1 171 171 ILE CA C 13 61.6 0.2 . 1 . . . . 171 ILE CA . 7103 1 1974 . 1 1 171 171 ILE CB C 13 38.5 0.2 . 1 . . . . 171 ILE CB . 7103 1 1975 . 1 1 171 171 ILE CG1 C 13 27.2 0.2 . 1 . . . . 171 ILE CG1 . 7103 1 1976 . 1 1 171 171 ILE CG2 C 13 17.5 0.2 . 1 . . . . 171 ILE CG2 . 7103 1 1977 . 1 1 171 171 ILE CD1 C 13 13.0 0.2 . 1 . . . . 171 ILE CD1 . 7103 1 1978 . 1 1 171 171 ILE N N 15 121.4 0.2 . 1 . . . . 171 ILE N . 7103 1 1979 . 1 1 172 172 ALA H H 1 8.26 0.005 . 1 . . . . 172 ALA H . 7103 1 1980 . 1 1 172 172 ALA HA H 1 4.25 0.005 . 1 . . . . 172 ALA HA . 7103 1 1981 . 1 1 172 172 ALA HB1 H 1 1.38 0.005 . 1 . . . . 172 ALA HB . 7103 1 1982 . 1 1 172 172 ALA HB2 H 1 1.38 0.005 . 1 . . . . 172 ALA HB . 7103 1 1983 . 1 1 172 172 ALA HB3 H 1 1.38 0.005 . 1 . . . . 172 ALA HB . 7103 1 1984 . 1 1 172 172 ALA C C 13 176.0 0.2 . 1 . . . . 172 ALA C . 7103 1 1985 . 1 1 172 172 ALA CA C 13 53.1 0.2 . 1 . . . . 172 ALA CA . 7103 1 1986 . 1 1 172 172 ALA CB C 13 19.1 0.2 . 1 . . . . 172 ALA CB . 7103 1 1987 . 1 1 172 172 ALA N N 15 126.6 0.2 . 1 . . . . 172 ALA N . 7103 1 1988 . 1 1 173 173 SER H H 1 8.07 0.005 . 1 . . . . 173 SER H . 7103 1 1989 . 1 1 173 173 SER HA H 1 3.95 0.005 . 1 . . . . 173 SER HA . 7103 1 1990 . 1 1 173 173 SER HB2 H 1 3.82 0.005 . 2 . . . . 173 SER HB2 . 7103 1 1991 . 1 1 173 173 SER HB3 H 1 3.75 0.005 . 2 . . . . 173 SER HB3 . 7103 1 1992 . 1 1 173 173 SER C C 13 175.3 0.2 . 1 . . . . 173 SER C . 7103 1 1993 . 1 1 173 173 SER CA C 13 58.5 0.2 . 1 . . . . 173 SER CA . 7103 1 1994 . 1 1 173 173 SER CB C 13 63.7 0.2 . 1 . . . . 173 SER CB . 7103 1 1995 . 1 1 173 173 SER N N 15 114.1 0.2 . 1 . . . . 173 SER N . 7103 1 1996 . 1 1 174 174 ALA H H 1 8.05 0.005 . 1 . . . . 174 ALA H . 7103 1 1997 . 1 1 174 174 ALA HA H 1 4.03 0.005 . 1 . . . . 174 ALA HA . 7103 1 1998 . 1 1 174 174 ALA HB1 H 1 1.49 0.005 . 1 . . . . 174 ALA HB . 7103 1 1999 . 1 1 174 174 ALA HB2 H 1 1.49 0.005 . 1 . . . . 174 ALA HB . 7103 1 2000 . 1 1 174 174 ALA HB3 H 1 1.49 0.005 . 1 . . . . 174 ALA HB . 7103 1 2001 . 1 1 174 174 ALA C C 13 176.1 0.2 . 1 . . . . 174 ALA C . 7103 1 2002 . 1 1 174 174 ALA CA C 13 52.4 0.2 . 1 . . . . 174 ALA CA . 7103 1 2003 . 1 1 174 174 ALA CB C 13 19.5 0.2 . 1 . . . . 174 ALA CB . 7103 1 2004 . 1 1 174 174 ALA N N 15 125.4 0.2 . 1 . . . . 174 ALA N . 7103 1 2005 . 1 1 175 175 TYR H H 1 7.51 0.005 . 1 . . . . 175 TYR H . 7103 1 2006 . 1 1 175 175 TYR HA H 1 4.36 0.005 . 1 . . . . 175 TYR HA . 7103 1 2007 . 1 1 175 175 TYR HB2 H 1 3.06 0.005 . 2 . . . . 175 TYR HB2 . 7103 1 2008 . 1 1 175 175 TYR HB3 H 1 2.88 0.005 . 2 . . . . 175 TYR HB3 . 7103 1 2009 . 1 1 175 175 TYR HD1 H 1 7.15 0.005 . 3 . . . . 175 TYR HD1 . 7103 1 2010 . 1 1 175 175 TYR HE1 H 1 6.78 0.005 . 3 . . . . 175 TYR HE1 . 7103 1 2011 . 1 1 175 175 TYR CA C 13 58.8 0.2 . 1 . . . . 175 TYR CA . 7103 1 2012 . 1 1 175 175 TYR CB C 13 39.4 0.2 . 1 . . . . 175 TYR CB . 7103 1 2013 . 1 1 175 175 TYR CD1 C 13 132.0 0.2 . 3 . . . . 175 TYR CD1 . 7103 1 2014 . 1 1 175 175 TYR CE1 C 13 118.3 0.2 . 3 . . . . 175 TYR CE1 . 7103 1 2015 . 1 1 175 175 TYR N N 15 123.7 0.2 . 1 . . . . 175 TYR N . 7103 1 2016 . 1 1 176 176 PRO CA C 13 63.1 0.2 . 1 . . . . 176 PRO CA . 7103 1 2017 . 1 1 176 176 PRO CB C 13 32.0 0.2 . 1 . . . . 176 PRO CB . 7103 1 2018 . 1 1 177 177 ARG H H 1 8.32 0.005 . 1 . . . . 177 ARG H . 7103 1 2019 . 1 1 177 177 ARG HA H 1 4.28 0.005 . 1 . . . . 177 ARG HA . 7103 1 2020 . 1 1 177 177 ARG HB2 H 1 1.82 0.005 . 2 . . . . 177 ARG HB2 . 7103 1 2021 . 1 1 177 177 ARG HB3 H 1 1.76 0.005 . 2 . . . . 177 ARG HB3 . 7103 1 2022 . 1 1 177 177 ARG HG2 H 1 1.58 0.005 . 2 . . . . 177 ARG HG2 . 7103 1 2023 . 1 1 177 177 ARG HG3 H 1 1.40 0.005 . 2 . . . . 177 ARG HG3 . 7103 1 2024 . 1 1 177 177 ARG HD2 H 1 3.17 0.005 . 2 . . . . 177 ARG HD2 . 7103 1 2025 . 1 1 177 177 ARG HD3 H 1 3.30 0.005 . 2 . . . . 177 ARG HD3 . 7103 1 2026 . 1 1 177 177 ARG C C 13 176.1 0.2 . 1 . . . . 177 ARG C . 7103 1 2027 . 1 1 177 177 ARG CA C 13 56.0 0.2 . 1 . . . . 177 ARG CA . 7103 1 2028 . 1 1 177 177 ARG CB C 13 30.9 0.2 . 1 . . . . 177 ARG CB . 7103 1 2029 . 1 1 177 177 ARG N N 15 121.6 0.2 . 1 . . . . 177 ARG N . 7103 1 2030 . 1 1 178 178 LEU H H 1 8.34 0.005 . 1 . . . . 178 LEU H . 7103 1 2031 . 1 1 178 178 LEU HA H 1 4.28 0.005 . 1 . . . . 178 LEU HA . 7103 1 2032 . 1 1 178 178 LEU HB2 H 1 1.65 0.005 . 2 . . . . 178 LEU HB2 . 7103 1 2033 . 1 1 178 178 LEU HB3 H 1 1.57 0.005 . 2 . . . . 178 LEU HB3 . 7103 1 2034 . 1 1 178 178 LEU HG H 1 1.57 0.005 . 1 . . . . 178 LEU HG . 7103 1 2035 . 1 1 178 178 LEU HD11 H 1 0.84 0.005 . 2 . . . . 178 LEU HD1 . 7103 1 2036 . 1 1 178 178 LEU HD12 H 1 0.84 0.005 . 2 . . . . 178 LEU HD1 . 7103 1 2037 . 1 1 178 178 LEU HD13 H 1 0.84 0.005 . 2 . . . . 178 LEU HD1 . 7103 1 2038 . 1 1 178 178 LEU HD21 H 1 0.91 0.005 . 2 . . . . 178 LEU HD2 . 7103 1 2039 . 1 1 178 178 LEU HD22 H 1 0.91 0.005 . 2 . . . . 178 LEU HD2 . 7103 1 2040 . 1 1 178 178 LEU HD23 H 1 0.91 0.005 . 2 . . . . 178 LEU HD2 . 7103 1 2041 . 1 1 178 178 LEU C C 13 176.0 0.2 . 1 . . . . 178 LEU C . 7103 1 2042 . 1 1 178 178 LEU CA C 13 55.3 0.2 . 1 . . . . 178 LEU CA . 7103 1 2043 . 1 1 178 178 LEU CB C 13 42.3 0.2 . 1 . . . . 178 LEU CB . 7103 1 2044 . 1 1 178 178 LEU N N 15 124.9 0.2 . 1 . . . . 178 LEU N . 7103 1 2045 . 1 1 179 179 ALA H H 1 7.83 0.005 . 1 . . . . 179 ALA H . 7103 1 2046 . 1 1 179 179 ALA HA H 1 4.11 0.005 . 1 . . . . 179 ALA HA . 7103 1 2047 . 1 1 179 179 ALA HB1 H 1 1.32 0.005 . 1 . . . . 179 ALA HB . 7103 1 2048 . 1 1 179 179 ALA HB2 H 1 1.32 0.005 . 1 . . . . 179 ALA HB . 7103 1 2049 . 1 1 179 179 ALA HB3 H 1 1.32 0.005 . 1 . . . . 179 ALA HB . 7103 1 2050 . 1 1 179 179 ALA CA C 13 53.9 0.2 . 1 . . . . 179 ALA CA . 7103 1 2051 . 1 1 179 179 ALA CB C 13 20.3 0.2 . 1 . . . . 179 ALA CB . 7103 1 2052 . 1 1 179 179 ALA N N 15 130.2 0.2 . 1 . . . . 179 ALA N . 7103 1 stop_ save_