data_4282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4282 _Entry.Title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-10 _Entry.Accession_date 1998-12-10 _Entry.Last_release_date 2000-05-03 _Entry.Original_release_date 2000-05-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Assen Marintchev . G. . 4282 2 Mark Maciejewski . W. . 4282 3 Gregory Mullen . P. . 4282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1201 4282 '13C chemical shifts' 766 4282 '15N chemical shifts' 187 4282 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 . . 2000-05-03 1998-12-10 original author . 4282 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99281465 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _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 393 _Citation.Page_last 394 _Citation.Year 1999 _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 Assen Marintchev . G. . 4282 1 2 Mark Maciejewski . W. . 4282 1 3 Gregory Mullen . P. . 4282 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'X-ray induced DNA damage' 4282 1 'DNA repair' 4282 1 '3D NMR' 4282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_XRCC1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_XRCC1 _Assembly.Entry_ID 4282 _Assembly.ID 1 _Assembly.Name 'XRCC1 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state '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 monomer 4282 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 'XRCC1 NTD' 1 $XRCC1_NTD . . . native . . . . . 4282 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1XNA . 'A Chain A, Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain' . . . . 4282 1 . PDB 1XNT . 'A Chain A, Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain' . . . . 4282 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'XRCC1 N-terminal domain' system 4282 1 XRCC1 abbreviation 4282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XRCC1_NTD _Entity.Sf_category entity _Entity.Sf_framecode XRCC1_NTD _Entity.Entry_ID 4282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'XRCC1 NTD' _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 ; MPEIRLRHVVSCSSQDSTHC AENLLKADTYRKWRAAKAGE KTISVVLQLEKEEQIHSVDI GNDGSAFVEVLVGSSAGGAG EQDYEVLLVTSSFMSPSESR SGSNPNRVRMFGPDKLVRAA AEKRWDRVKIVCSQPYSKDS PFGLSFVRFHSPPDKDEAEA PSQKVTVTKLGQFRVKEEEE SAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20217 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XNA . "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . . . . . 99.45 183 100.00 100.00 1.05e-129 . . . . 4282 1 2 no PDB 1XNT . "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . . . . . 99.45 183 100.00 100.00 1.05e-129 . . . . 4282 1 3 no PDB 3K75 . "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" . . . . . 100.00 189 99.45 100.00 3.94e-130 . . . . 4282 1 4 no PDB 3K77 . "X-Ray Crystal Structure Of Xrcc1" . . . . . 84.70 161 100.00 100.00 1.46e-109 . . . . 4282 1 5 no PDB 3LQC . "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" . . . . . 100.00 189 99.45 100.00 3.94e-130 . . . . 4282 1 6 no DBJ BAD92018 . "X-ray repair cross complementing protein 1 variant [Homo sapiens]" . . . . . 100.00 647 99.45 100.00 4.26e-124 . . . . 4282 1 7 no DBJ BAG10574 . "DNA-repair protein XRCC1 [synthetic construct]" . . . . . 100.00 633 99.45 100.00 2.87e-124 . . . . 4282 1 8 no DBJ BAG37732 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 2.78e-124 . . . . 4282 1 9 no DBJ BAG57023 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 400 99.45 100.00 1.48e-128 . . . . 4282 1 10 no EMBL CAG33009 . "XRCC1 [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 2.87e-124 . . . . 4282 1 11 no GB AAA63270 . "DNA-repair protein [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 3.26e-124 . . . . 4282 1 12 no GB AAH23593 . "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 2.87e-124 . . . . 4282 1 13 no GB AAM34791 . "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 3.26e-124 . . . . 4282 1 14 no GB EAW57201 . "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_a [Homo sapiens]" . . . . . 100.00 236 99.45 100.00 6.55e-129 . . . . 4282 1 15 no GB EAW57202 . "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_b [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 3.26e-124 . . . . 4282 1 16 no REF NP_006288 . "DNA repair protein XRCC1 [Homo sapiens]" . . . . . 100.00 633 99.45 100.00 2.87e-124 . . . . 4282 1 17 no REF XP_001100256 . "PREDICTED: DNA repair protein XRCC1 [Macaca mulatta]" . . . . . 100.00 617 98.91 99.45 3.91e-124 . . . . 4282 1 18 no REF XP_002829368 . "PREDICTED: DNA repair protein XRCC1 [Pongo abelii]" . . . . . 100.00 633 98.36 99.45 3.05e-123 . . . . 4282 1 19 no REF XP_003281242 . "PREDICTED: DNA repair protein XRCC1 [Nomascus leucogenys]" . . . . . 100.00 631 98.91 99.45 1.35e-123 . . . . 4282 1 20 no REF XP_003799533 . "PREDICTED: DNA repair protein XRCC1 [Otolemur garnettii]" . . . . . 100.00 633 97.81 98.91 1.19e-122 . . . . 4282 1 21 no SP P18887 . "RecName: Full=DNA repair protein XRCC1; AltName: Full=X-ray repair cross-complementing protein 1" . . . . . 100.00 633 99.45 100.00 3.23e-124 . . . . 4282 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'XRCC1 NTD' common 4282 1 D179E variant 4282 1 XRCC1 abbreviation 4282 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 . MET . 4282 1 2 . PRO . 4282 1 3 . GLU . 4282 1 4 . ILE . 4282 1 5 . ARG . 4282 1 6 . LEU . 4282 1 7 . ARG . 4282 1 8 . HIS . 4282 1 9 . VAL . 4282 1 10 . VAL . 4282 1 11 . SER . 4282 1 12 . CYS . 4282 1 13 . SER . 4282 1 14 . SER . 4282 1 15 . GLN . 4282 1 16 . ASP . 4282 1 17 . SER . 4282 1 18 . THR . 4282 1 19 . HIS . 4282 1 20 . CYS . 4282 1 21 . ALA . 4282 1 22 . GLU . 4282 1 23 . ASN . 4282 1 24 . LEU . 4282 1 25 . LEU . 4282 1 26 . LYS . 4282 1 27 . ALA . 4282 1 28 . ASP . 4282 1 29 . THR . 4282 1 30 . TYR . 4282 1 31 . ARG . 4282 1 32 . LYS . 4282 1 33 . TRP . 4282 1 34 . ARG . 4282 1 35 . ALA . 4282 1 36 . ALA . 4282 1 37 . LYS . 4282 1 38 . ALA . 4282 1 39 . GLY . 4282 1 40 . GLU . 4282 1 41 . LYS . 4282 1 42 . THR . 4282 1 43 . ILE . 4282 1 44 . SER . 4282 1 45 . VAL . 4282 1 46 . VAL . 4282 1 47 . LEU . 4282 1 48 . GLN . 4282 1 49 . LEU . 4282 1 50 . GLU . 4282 1 51 . LYS . 4282 1 52 . GLU . 4282 1 53 . GLU . 4282 1 54 . GLN . 4282 1 55 . ILE . 4282 1 56 . HIS . 4282 1 57 . SER . 4282 1 58 . VAL . 4282 1 59 . ASP . 4282 1 60 . ILE . 4282 1 61 . GLY . 4282 1 62 . ASN . 4282 1 63 . ASP . 4282 1 64 . GLY . 4282 1 65 . SER . 4282 1 66 . ALA . 4282 1 67 . PHE . 4282 1 68 . VAL . 4282 1 69 . GLU . 4282 1 70 . VAL . 4282 1 71 . LEU . 4282 1 72 . VAL . 4282 1 73 . GLY . 4282 1 74 . SER . 4282 1 75 . SER . 4282 1 76 . ALA . 4282 1 77 . GLY . 4282 1 78 . GLY . 4282 1 79 . ALA . 4282 1 80 . GLY . 4282 1 81 . GLU . 4282 1 82 . GLN . 4282 1 83 . ASP . 4282 1 84 . TYR . 4282 1 85 . GLU . 4282 1 86 . VAL . 4282 1 87 . LEU . 4282 1 88 . LEU . 4282 1 89 . VAL . 4282 1 90 . THR . 4282 1 91 . SER . 4282 1 92 . SER . 4282 1 93 . PHE . 4282 1 94 . MET . 4282 1 95 . SER . 4282 1 96 . PRO . 4282 1 97 . SER . 4282 1 98 . GLU . 4282 1 99 . SER . 4282 1 100 . ARG . 4282 1 101 . SER . 4282 1 102 . GLY . 4282 1 103 . SER . 4282 1 104 . ASN . 4282 1 105 . PRO . 4282 1 106 . ASN . 4282 1 107 . ARG . 4282 1 108 . VAL . 4282 1 109 . ARG . 4282 1 110 . MET . 4282 1 111 . PHE . 4282 1 112 . GLY . 4282 1 113 . PRO . 4282 1 114 . ASP . 4282 1 115 . LYS . 4282 1 116 . LEU . 4282 1 117 . VAL . 4282 1 118 . ARG . 4282 1 119 . ALA . 4282 1 120 . ALA . 4282 1 121 . ALA . 4282 1 122 . GLU . 4282 1 123 . LYS . 4282 1 124 . ARG . 4282 1 125 . TRP . 4282 1 126 . ASP . 4282 1 127 . ARG . 4282 1 128 . VAL . 4282 1 129 . LYS . 4282 1 130 . ILE . 4282 1 131 . VAL . 4282 1 132 . CYS . 4282 1 133 . SER . 4282 1 134 . GLN . 4282 1 135 . PRO . 4282 1 136 . TYR . 4282 1 137 . SER . 4282 1 138 . LYS . 4282 1 139 . ASP . 4282 1 140 . SER . 4282 1 141 . PRO . 4282 1 142 . PHE . 4282 1 143 . GLY . 4282 1 144 . LEU . 4282 1 145 . SER . 4282 1 146 . PHE . 4282 1 147 . VAL . 4282 1 148 . ARG . 4282 1 149 . PHE . 4282 1 150 . HIS . 4282 1 151 . SER . 4282 1 152 . PRO . 4282 1 153 . PRO . 4282 1 154 . ASP . 4282 1 155 . LYS . 4282 1 156 . ASP . 4282 1 157 . GLU . 4282 1 158 . ALA . 4282 1 159 . GLU . 4282 1 160 . ALA . 4282 1 161 . PRO . 4282 1 162 . SER . 4282 1 163 . GLN . 4282 1 164 . LYS . 4282 1 165 . VAL . 4282 1 166 . THR . 4282 1 167 . VAL . 4282 1 168 . THR . 4282 1 169 . LYS . 4282 1 170 . LEU . 4282 1 171 . GLY . 4282 1 172 . GLN . 4282 1 173 . PHE . 4282 1 174 . ARG . 4282 1 175 . VAL . 4282 1 176 . LYS . 4282 1 177 . GLU . 4282 1 178 . GLU . 4282 1 179 . GLU . 4282 1 180 . GLU . 4282 1 181 . SER . 4282 1 182 . ALA . 4282 1 183 . ASN . 4282 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4282 1 . PRO 2 2 4282 1 . GLU 3 3 4282 1 . ILE 4 4 4282 1 . ARG 5 5 4282 1 . LEU 6 6 4282 1 . ARG 7 7 4282 1 . HIS 8 8 4282 1 . VAL 9 9 4282 1 . VAL 10 10 4282 1 . SER 11 11 4282 1 . CYS 12 12 4282 1 . SER 13 13 4282 1 . SER 14 14 4282 1 . GLN 15 15 4282 1 . ASP 16 16 4282 1 . SER 17 17 4282 1 . THR 18 18 4282 1 . HIS 19 19 4282 1 . CYS 20 20 4282 1 . ALA 21 21 4282 1 . GLU 22 22 4282 1 . ASN 23 23 4282 1 . LEU 24 24 4282 1 . LEU 25 25 4282 1 . LYS 26 26 4282 1 . ALA 27 27 4282 1 . ASP 28 28 4282 1 . THR 29 29 4282 1 . TYR 30 30 4282 1 . ARG 31 31 4282 1 . LYS 32 32 4282 1 . TRP 33 33 4282 1 . ARG 34 34 4282 1 . ALA 35 35 4282 1 . ALA 36 36 4282 1 . LYS 37 37 4282 1 . ALA 38 38 4282 1 . GLY 39 39 4282 1 . GLU 40 40 4282 1 . LYS 41 41 4282 1 . THR 42 42 4282 1 . ILE 43 43 4282 1 . SER 44 44 4282 1 . VAL 45 45 4282 1 . VAL 46 46 4282 1 . LEU 47 47 4282 1 . GLN 48 48 4282 1 . LEU 49 49 4282 1 . GLU 50 50 4282 1 . LYS 51 51 4282 1 . GLU 52 52 4282 1 . GLU 53 53 4282 1 . GLN 54 54 4282 1 . ILE 55 55 4282 1 . HIS 56 56 4282 1 . SER 57 57 4282 1 . VAL 58 58 4282 1 . ASP 59 59 4282 1 . ILE 60 60 4282 1 . GLY 61 61 4282 1 . ASN 62 62 4282 1 . ASP 63 63 4282 1 . GLY 64 64 4282 1 . SER 65 65 4282 1 . ALA 66 66 4282 1 . PHE 67 67 4282 1 . VAL 68 68 4282 1 . GLU 69 69 4282 1 . VAL 70 70 4282 1 . LEU 71 71 4282 1 . VAL 72 72 4282 1 . GLY 73 73 4282 1 . SER 74 74 4282 1 . SER 75 75 4282 1 . ALA 76 76 4282 1 . GLY 77 77 4282 1 . GLY 78 78 4282 1 . ALA 79 79 4282 1 . GLY 80 80 4282 1 . GLU 81 81 4282 1 . GLN 82 82 4282 1 . ASP 83 83 4282 1 . TYR 84 84 4282 1 . GLU 85 85 4282 1 . VAL 86 86 4282 1 . LEU 87 87 4282 1 . LEU 88 88 4282 1 . VAL 89 89 4282 1 . THR 90 90 4282 1 . SER 91 91 4282 1 . SER 92 92 4282 1 . PHE 93 93 4282 1 . MET 94 94 4282 1 . SER 95 95 4282 1 . PRO 96 96 4282 1 . SER 97 97 4282 1 . GLU 98 98 4282 1 . SER 99 99 4282 1 . ARG 100 100 4282 1 . SER 101 101 4282 1 . GLY 102 102 4282 1 . SER 103 103 4282 1 . ASN 104 104 4282 1 . PRO 105 105 4282 1 . ASN 106 106 4282 1 . ARG 107 107 4282 1 . VAL 108 108 4282 1 . ARG 109 109 4282 1 . MET 110 110 4282 1 . PHE 111 111 4282 1 . GLY 112 112 4282 1 . PRO 113 113 4282 1 . ASP 114 114 4282 1 . LYS 115 115 4282 1 . LEU 116 116 4282 1 . VAL 117 117 4282 1 . ARG 118 118 4282 1 . ALA 119 119 4282 1 . ALA 120 120 4282 1 . ALA 121 121 4282 1 . GLU 122 122 4282 1 . LYS 123 123 4282 1 . ARG 124 124 4282 1 . TRP 125 125 4282 1 . ASP 126 126 4282 1 . ARG 127 127 4282 1 . VAL 128 128 4282 1 . LYS 129 129 4282 1 . ILE 130 130 4282 1 . VAL 131 131 4282 1 . CYS 132 132 4282 1 . SER 133 133 4282 1 . GLN 134 134 4282 1 . PRO 135 135 4282 1 . TYR 136 136 4282 1 . SER 137 137 4282 1 . LYS 138 138 4282 1 . ASP 139 139 4282 1 . SER 140 140 4282 1 . PRO 141 141 4282 1 . PHE 142 142 4282 1 . GLY 143 143 4282 1 . LEU 144 144 4282 1 . SER 145 145 4282 1 . PHE 146 146 4282 1 . VAL 147 147 4282 1 . ARG 148 148 4282 1 . PHE 149 149 4282 1 . HIS 150 150 4282 1 . SER 151 151 4282 1 . PRO 152 152 4282 1 . PRO 153 153 4282 1 . ASP 154 154 4282 1 . LYS 155 155 4282 1 . ASP 156 156 4282 1 . GLU 157 157 4282 1 . ALA 158 158 4282 1 . GLU 159 159 4282 1 . ALA 160 160 4282 1 . PRO 161 161 4282 1 . SER 162 162 4282 1 . GLN 163 163 4282 1 . LYS 164 164 4282 1 . VAL 165 165 4282 1 . THR 166 166 4282 1 . VAL 167 167 4282 1 . THR 168 168 4282 1 . LYS 169 169 4282 1 . LEU 170 170 4282 1 . GLY 171 171 4282 1 . GLN 172 172 4282 1 . PHE 173 173 4282 1 . ARG 174 174 4282 1 . VAL 175 175 4282 1 . LYS 176 176 4282 1 . GLU 177 177 4282 1 . GLU 178 178 4282 1 . GLU 179 179 4282 1 . GLU 180 180 4282 1 . SER 181 181 4282 1 . ALA 182 182 4282 1 . ASN 183 183 4282 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 4282 _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 $XRCC1_NTD . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4282 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 4282 _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 $XRCC1_NTD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4282 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'XRCC1 NTD' '[U-15N; U-13C]' . . 1 $XRCC1_NTD . . . 2 4 mM . . . . 4282 1 2 DTT . . . . . . . 5 . . mM . . . . 4282 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 4282 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; DTT (5 mM) was present in the samples. Samples in D2O: The pH of buffers in H2O was adjusted; buffers were lyophilized, and then dissolved in 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 6.8 0.2 n/a 4282 1 temperature 298 1 K 4282 1 'ionic strength' 0.4 0.04 M 4282 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4282 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4282 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4282 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4282 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4282 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4282 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 4282 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4282 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 3 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 4 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 5 '2D (HB)CB(CGCD)HD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 6 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 7 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 8 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 9 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 10 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 11 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 12 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 13 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 14 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 15 '3D HCC(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 16 '3D CC(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4282 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D (HB)CB(CGCD)HD' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-13C-1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HCC(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4282 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D CC(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4282 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4282 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4282 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4282 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4282 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4282 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 2 2 PRO C C 13 172.3 0.12 . 1 . . . . . . . . 4282 1 2 . 1 1 3 3 GLU N N 15 123.5 0.15 . 1 . . . . . . . . 4282 1 3 . 1 1 3 3 GLU H H 1 9.06 0.03 . 1 . . . . . . . . 4282 1 4 . 1 1 3 3 GLU CA C 13 57.5 0.12 . 1 . . . . . . . . 4282 1 5 . 1 1 3 3 GLU HA H 1 4.44 0.03 . 1 . . . . . . . . 4282 1 6 . 1 1 3 3 GLU CB C 13 30.6 0.12 . 1 . . . . . . . . 4282 1 7 . 1 1 3 3 GLU HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4282 1 8 . 1 1 3 3 GLU HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4282 1 9 . 1 1 3 3 GLU CG C 13 36.9 0.12 . 1 . . . . . . . . 4282 1 10 . 1 1 3 3 GLU HG2 H 1 2.12 0.03 . 2 . . . . . . . . 4282 1 11 . 1 1 3 3 GLU HG3 H 1 2.18 0.03 . 2 . . . . . . . . 4282 1 12 . 1 1 3 3 GLU C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 13 . 1 1 4 4 ILE N N 15 129.2 0.15 . 1 . . . . . . . . 4282 1 14 . 1 1 4 4 ILE H H 1 8.84 0.03 . 1 . . . . . . . . 4282 1 15 . 1 1 4 4 ILE CA C 13 61.9 0.12 . 1 . . . . . . . . 4282 1 16 . 1 1 4 4 ILE HA H 1 4.02 0.03 . 1 . . . . . . . . 4282 1 17 . 1 1 4 4 ILE CB C 13 39.0 0.12 . 1 . . . . . . . . 4282 1 18 . 1 1 4 4 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 4282 1 19 . 1 1 4 4 ILE HG21 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 20 . 1 1 4 4 ILE HG22 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 21 . 1 1 4 4 ILE HG23 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 22 . 1 1 4 4 ILE CG2 C 13 18.2 0.12 . 1 . . . . . . . . 4282 1 23 . 1 1 4 4 ILE CG1 C 13 29.6 0.12 . 1 . . . . . . . . 4282 1 24 . 1 1 4 4 ILE HG12 H 1 0.99 0.03 . 2 . . . . . . . . 4282 1 25 . 1 1 4 4 ILE HG13 H 1 1.79 0.03 . 2 . . . . . . . . 4282 1 26 . 1 1 4 4 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4282 1 27 . 1 1 4 4 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4282 1 28 . 1 1 4 4 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4282 1 29 . 1 1 4 4 ILE CD1 C 13 15.5 0.12 . 1 . . . . . . . . 4282 1 30 . 1 1 4 4 ILE C C 13 175.5 0.12 . 1 . . . . . . . . 4282 1 31 . 1 1 5 5 ARG N N 15 128.1 0.15 . 1 . . . . . . . . 4282 1 32 . 1 1 5 5 ARG H H 1 8.90 0.03 . 1 . . . . . . . . 4282 1 33 . 1 1 5 5 ARG CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 34 . 1 1 5 5 ARG HA H 1 4.41 0.03 . 1 . . . . . . . . 4282 1 35 . 1 1 5 5 ARG CB C 13 30.4 0.12 . 1 . . . . . . . . 4282 1 36 . 1 1 5 5 ARG HB2 H 1 1.78 0.03 . 1 . . . . . . . . 4282 1 37 . 1 1 5 5 ARG HB3 H 1 1.78 0.03 . 1 . . . . . . . . 4282 1 38 . 1 1 5 5 ARG CG C 13 27.6 0.12 . 1 . . . . . . . . 4282 1 39 . 1 1 5 5 ARG HG2 H 1 1.63 0.03 . 2 . . . . . . . . 4282 1 40 . 1 1 5 5 ARG HG3 H 1 1.72 0.03 . 2 . . . . . . . . 4282 1 41 . 1 1 5 5 ARG CD C 13 43.2 0.12 . 1 . . . . . . . . 4282 1 42 . 1 1 5 5 ARG HD2 H 1 3.25 0.03 . 2 . . . . . . . . 4282 1 43 . 1 1 5 5 ARG HD3 H 1 3.29 0.03 . 2 . . . . . . . . 4282 1 44 . 1 1 5 5 ARG C C 13 175.6 0.12 . 1 . . . . . . . . 4282 1 45 . 1 1 6 6 LEU N N 15 125.0 0.15 . 1 . . . . . . . . 4282 1 46 . 1 1 6 6 LEU H H 1 8.89 0.03 . 1 . . . . . . . . 4282 1 47 . 1 1 6 6 LEU CA C 13 54.0 0.12 . 1 . . . . . . . . 4282 1 48 . 1 1 6 6 LEU HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 49 . 1 1 6 6 LEU CB C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 50 . 1 1 6 6 LEU HB2 H 1 1.08 0.03 . 2 . . . . . . . . 4282 1 51 . 1 1 6 6 LEU HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4282 1 52 . 1 1 6 6 LEU CG C 13 26.7 0.12 . 1 . . . . . . . . 4282 1 53 . 1 1 6 6 LEU HG H 1 1.98 0.03 . 1 . . . . . . . . 4282 1 54 . 1 1 6 6 LEU HD11 H 1 0.73 0.03 . 2 . . . . . . . . 4282 1 55 . 1 1 6 6 LEU HD12 H 1 0.73 0.03 . 2 . . . . . . . . 4282 1 56 . 1 1 6 6 LEU HD13 H 1 0.73 0.03 . 2 . . . . . . . . 4282 1 57 . 1 1 6 6 LEU HD21 H 1 1.03 0.03 . 2 . . . . . . . . 4282 1 58 . 1 1 6 6 LEU HD22 H 1 1.03 0.03 . 2 . . . . . . . . 4282 1 59 . 1 1 6 6 LEU HD23 H 1 1.03 0.03 . 2 . . . . . . . . 4282 1 60 . 1 1 6 6 LEU CD1 C 13 23.9 0.12 . 1 . . . . . . . . 4282 1 61 . 1 1 6 6 LEU CD2 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 62 . 1 1 6 6 LEU C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 63 . 1 1 7 7 ARG N N 15 122.8 0.15 . 1 . . . . . . . . 4282 1 64 . 1 1 7 7 ARG H H 1 9.19 0.03 . 1 . . . . . . . . 4282 1 65 . 1 1 7 7 ARG CA C 13 57.9 0.12 . 1 . . . . . . . . 4282 1 66 . 1 1 7 7 ARG HA H 1 4.44 0.03 . 1 . . . . . . . . 4282 1 67 . 1 1 7 7 ARG CB C 13 33.3 0.12 . 1 . . . . . . . . 4282 1 68 . 1 1 7 7 ARG HB2 H 1 1.29 0.03 . 2 . . . . . . . . 4282 1 69 . 1 1 7 7 ARG HB3 H 1 1.41 0.03 . 2 . . . . . . . . 4282 1 70 . 1 1 7 7 ARG CG C 13 27.0 0.12 . 1 . . . . . . . . 4282 1 71 . 1 1 7 7 ARG HG2 H 1 1.61 0.03 . 2 . . . . . . . . 4282 1 72 . 1 1 7 7 ARG HG3 H 1 1.67 0.03 . 2 . . . . . . . . 4282 1 73 . 1 1 7 7 ARG CD C 13 43.8 0.12 . 1 . . . . . . . . 4282 1 74 . 1 1 7 7 ARG HD2 H 1 3.12 0.03 . 2 . . . . . . . . 4282 1 75 . 1 1 7 7 ARG HD3 H 1 3.22 0.03 . 2 . . . . . . . . 4282 1 76 . 1 1 7 7 ARG C C 13 175.6 0.12 . 1 . . . . . . . . 4282 1 77 . 1 1 8 8 HIS N N 15 109.5 0.15 . 1 . . . . . . . . 4282 1 78 . 1 1 8 8 HIS H H 1 7.26 0.03 . 1 . . . . . . . . 4282 1 79 . 1 1 8 8 HIS CA C 13 55.7 0.12 . 1 . . . . . . . . 4282 1 80 . 1 1 8 8 HIS HA H 1 4.84 0.03 . 1 . . . . . . . . 4282 1 81 . 1 1 8 8 HIS CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 82 . 1 1 8 8 HIS HB2 H 1 3.12 0.03 . 2 . . . . . . . . 4282 1 83 . 1 1 8 8 HIS HB3 H 1 3.28 0.03 . 2 . . . . . . . . 4282 1 84 . 1 1 8 8 HIS CD2 C 13 119.8 0.12 . 1 . . . . . . . . 4282 1 85 . 1 1 8 8 HIS CE1 C 13 138.0 0.12 . 1 . . . . . . . . 4282 1 86 . 1 1 8 8 HIS HD2 H 1 6.54 0.03 . 1 . . . . . . . . 4282 1 87 . 1 1 8 8 HIS HE1 H 1 7.68 0.03 . 1 . . . . . . . . 4282 1 88 . 1 1 8 8 HIS C C 13 173.5 0.12 . 1 . . . . . . . . 4282 1 89 . 1 1 9 9 VAL N N 15 122.1 0.15 . 1 . . . . . . . . 4282 1 90 . 1 1 9 9 VAL H H 1 9.19 0.03 . 1 . . . . . . . . 4282 1 91 . 1 1 9 9 VAL CA C 13 63.0 0.12 . 1 . . . . . . . . 4282 1 92 . 1 1 9 9 VAL HA H 1 4.04 0.03 . 1 . . . . . . . . 4282 1 93 . 1 1 9 9 VAL CB C 13 32.4 0.12 . 1 . . . . . . . . 4282 1 94 . 1 1 9 9 VAL HB H 1 2.06 0.03 . 1 . . . . . . . . 4282 1 95 . 1 1 9 9 VAL HG11 H 1 0.61 0.03 . 2 . . . . . . . . 4282 1 96 . 1 1 9 9 VAL HG12 H 1 0.61 0.03 . 2 . . . . . . . . 4282 1 97 . 1 1 9 9 VAL HG13 H 1 0.61 0.03 . 2 . . . . . . . . 4282 1 98 . 1 1 9 9 VAL HG21 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 99 . 1 1 9 9 VAL HG22 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 100 . 1 1 9 9 VAL HG23 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 101 . 1 1 9 9 VAL CG1 C 13 21.0 0.12 . 1 . . . . . . . . 4282 1 102 . 1 1 9 9 VAL CG2 C 13 21.0 0.12 . 1 . . . . . . . . 4282 1 103 . 1 1 9 9 VAL C C 13 176.0 0.12 . 1 . . . . . . . . 4282 1 104 . 1 1 10 10 VAL N N 15 131.3 0.15 . 1 . . . . . . . . 4282 1 105 . 1 1 10 10 VAL H H 1 9.23 0.03 . 1 . . . . . . . . 4282 1 106 . 1 1 10 10 VAL CA C 13 64.7 0.12 . 1 . . . . . . . . 4282 1 107 . 1 1 10 10 VAL HA H 1 3.82 0.03 . 1 . . . . . . . . 4282 1 108 . 1 1 10 10 VAL CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 109 . 1 1 10 10 VAL HB H 1 1.66 0.03 . 1 . . . . . . . . 4282 1 110 . 1 1 10 10 VAL HG11 H 1 0.88 0.03 . 2 . . . . . . . . 4282 1 111 . 1 1 10 10 VAL HG12 H 1 0.88 0.03 . 2 . . . . . . . . 4282 1 112 . 1 1 10 10 VAL HG13 H 1 0.88 0.03 . 2 . . . . . . . . 4282 1 113 . 1 1 10 10 VAL HG21 H 1 0.91 0.03 . 2 . . . . . . . . 4282 1 114 . 1 1 10 10 VAL HG22 H 1 0.91 0.03 . 2 . . . . . . . . 4282 1 115 . 1 1 10 10 VAL HG23 H 1 0.91 0.03 . 2 . . . . . . . . 4282 1 116 . 1 1 10 10 VAL CG1 C 13 20.4 0.12 . 1 . . . . . . . . 4282 1 117 . 1 1 10 10 VAL CG2 C 13 23.1 0.12 . 1 . . . . . . . . 4282 1 118 . 1 1 10 10 VAL C C 13 176.0 0.12 . 1 . . . . . . . . 4282 1 119 . 1 1 11 11 SER N N 15 110.7 0.15 . 1 . . . . . . . . 4282 1 120 . 1 1 11 11 SER H H 1 7.54 0.03 . 1 . . . . . . . . 4282 1 121 . 1 1 11 11 SER CA C 13 56.9 0.12 . 1 . . . . . . . . 4282 1 122 . 1 1 11 11 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 4282 1 123 . 1 1 11 11 SER CB C 13 65.0 0.12 . 1 . . . . . . . . 4282 1 124 . 1 1 11 11 SER HB2 H 1 3.71 0.03 . 1 . . . . . . . . 4282 1 125 . 1 1 11 11 SER HB3 H 1 3.71 0.03 . 1 . . . . . . . . 4282 1 126 . 1 1 11 11 SER C C 13 171.8 0.12 . 1 . . . . . . . . 4282 1 127 . 1 1 12 12 CYS N N 15 120.6 0.15 . 1 . . . . . . . . 4282 1 128 . 1 1 12 12 CYS H H 1 8.53 0.03 . 1 . . . . . . . . 4282 1 129 . 1 1 12 12 CYS CA C 13 58.4 0.12 . 1 . . . . . . . . 4282 1 130 . 1 1 12 12 CYS HA H 1 4.99 0.03 . 1 . . . . . . . . 4282 1 131 . 1 1 12 12 CYS CB C 13 28.7 0.12 . 1 . . . . . . . . 4282 1 132 . 1 1 12 12 CYS HB2 H 1 2.35 0.03 . 2 . . . . . . . . 4282 1 133 . 1 1 12 12 CYS HB3 H 1 2.67 0.03 . 2 . . . . . . . . 4282 1 134 . 1 1 12 12 CYS C C 13 174.9 0.12 . 1 . . . . . . . . 4282 1 135 . 1 1 13 13 SER N N 15 127.1 0.15 . 1 . . . . . . . . 4282 1 136 . 1 1 13 13 SER H H 1 9.48 0.03 . 1 . . . . . . . . 4282 1 137 . 1 1 13 13 SER CA C 13 61.4 0.12 . 1 . . . . . . . . 4282 1 138 . 1 1 13 13 SER HA H 1 4.37 0.03 . 1 . . . . . . . . 4282 1 139 . 1 1 13 13 SER CB C 13 63.3 0.12 . 1 . . . . . . . . 4282 1 140 . 1 1 13 13 SER HB2 H 1 3.93 0.03 . 2 . . . . . . . . 4282 1 141 . 1 1 13 13 SER HB3 H 1 4.30 0.03 . 2 . . . . . . . . 4282 1 142 . 1 1 13 13 SER C C 13 174.9 0.12 . 1 . . . . . . . . 4282 1 143 . 1 1 14 14 SER N N 15 118.1 0.15 . 1 . . . . . . . . 4282 1 144 . 1 1 14 14 SER H H 1 7.58 0.03 . 1 . . . . . . . . 4282 1 145 . 1 1 14 14 SER CA C 13 58.5 0.12 . 1 . . . . . . . . 4282 1 146 . 1 1 14 14 SER HA H 1 4.65 0.03 . 1 . . . . . . . . 4282 1 147 . 1 1 14 14 SER CB C 13 64.2 0.12 . 1 . . . . . . . . 4282 1 148 . 1 1 14 14 SER HB2 H 1 3.56 0.03 . 2 . . . . . . . . 4282 1 149 . 1 1 14 14 SER HB3 H 1 4.22 0.03 . 2 . . . . . . . . 4282 1 150 . 1 1 14 14 SER C C 13 173.3 0.12 . 1 . . . . . . . . 4282 1 151 . 1 1 15 15 GLN N N 15 122.3 0.15 . 1 . . . . . . . . 4282 1 152 . 1 1 15 15 GLN H H 1 8.91 0.03 . 1 . . . . . . . . 4282 1 153 . 1 1 15 15 GLN CA C 13 53.6 0.12 . 1 . . . . . . . . 4282 1 154 . 1 1 15 15 GLN HA H 1 5.59 0.03 . 1 . . . . . . . . 4282 1 155 . 1 1 15 15 GLN CB C 13 30.4 0.12 . 1 . . . . . . . . 4282 1 156 . 1 1 15 15 GLN HB2 H 1 2.42 0.03 . 2 . . . . . . . . 4282 1 157 . 1 1 15 15 GLN HB3 H 1 2.79 0.03 . 2 . . . . . . . . 4282 1 158 . 1 1 15 15 GLN CG C 13 31.1 0.12 . 1 . . . . . . . . 4282 1 159 . 1 1 15 15 GLN HG2 H 1 2.50 0.03 . 1 . . . . . . . . 4282 1 160 . 1 1 15 15 GLN HG3 H 1 2.50 0.03 . 1 . . . . . . . . 4282 1 161 . 1 1 15 15 GLN CD C 13 180.5 0.12 . 1 . . . . . . . . 4282 1 162 . 1 1 15 15 GLN NE2 N 15 112.2 0.15 . 1 . . . . . . . . 4282 1 163 . 1 1 15 15 GLN HE21 H 1 7.05 0.03 . 2 . . . . . . . . 4282 1 164 . 1 1 15 15 GLN HE22 H 1 7.74 0.03 . 2 . . . . . . . . 4282 1 165 . 1 1 15 15 GLN C C 13 173.2 0.12 . 1 . . . . . . . . 4282 1 166 . 1 1 16 16 ASP N N 15 124.1 0.15 . 1 . . . . . . . . 4282 1 167 . 1 1 16 16 ASP H H 1 8.00 0.03 . 1 . . . . . . . . 4282 1 168 . 1 1 16 16 ASP CA C 13 53.8 0.12 . 1 . . . . . . . . 4282 1 169 . 1 1 16 16 ASP HA H 1 4.52 0.03 . 1 . . . . . . . . 4282 1 170 . 1 1 16 16 ASP CB C 13 44.7 0.12 . 1 . . . . . . . . 4282 1 171 . 1 1 16 16 ASP HB2 H 1 2.48 0.03 . 2 . . . . . . . . 4282 1 172 . 1 1 16 16 ASP HB3 H 1 2.65 0.03 . 2 . . . . . . . . 4282 1 173 . 1 1 16 16 ASP C C 13 175.0 0.12 . 1 . . . . . . . . 4282 1 174 . 1 1 17 17 SER N N 15 115.9 0.15 . 1 . . . . . . . . 4282 1 175 . 1 1 17 17 SER H H 1 8.04 0.03 . 1 . . . . . . . . 4282 1 176 . 1 1 17 17 SER CA C 13 61.4 0.12 . 1 . . . . . . . . 4282 1 177 . 1 1 17 17 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 4282 1 178 . 1 1 17 17 SER CB C 13 63.0 0.12 . 1 . . . . . . . . 4282 1 179 . 1 1 17 17 SER HB2 H 1 3.93 0.03 . 1 . . . . . . . . 4282 1 180 . 1 1 17 17 SER HB3 H 1 3.93 0.03 . 1 . . . . . . . . 4282 1 181 . 1 1 17 17 SER C C 13 176.3 0.12 . 1 . . . . . . . . 4282 1 182 . 1 1 18 18 THR N N 15 118.9 0.15 . 1 . . . . . . . . 4282 1 183 . 1 1 18 18 THR H H 1 7.98 0.03 . 1 . . . . . . . . 4282 1 184 . 1 1 18 18 THR CA C 13 65.4 0.12 . 1 . . . . . . . . 4282 1 185 . 1 1 18 18 THR HA H 1 4.15 0.03 . 1 . . . . . . . . 4282 1 186 . 1 1 18 18 THR CB C 13 68.7 0.12 . 1 . . . . . . . . 4282 1 187 . 1 1 18 18 THR HB H 1 3.84 0.03 . 1 . . . . . . . . 4282 1 188 . 1 1 18 18 THR HG21 H 1 0.72 0.03 . 1 . . . . . . . . 4282 1 189 . 1 1 18 18 THR HG22 H 1 0.72 0.03 . 1 . . . . . . . . 4282 1 190 . 1 1 18 18 THR HG23 H 1 0.72 0.03 . 1 . . . . . . . . 4282 1 191 . 1 1 18 18 THR CG2 C 13 20.6 0.12 . 1 . . . . . . . . 4282 1 192 . 1 1 18 18 THR C C 13 175.8 0.12 . 1 . . . . . . . . 4282 1 193 . 1 1 19 19 HIS N N 15 127.2 0.15 . 1 . . . . . . . . 4282 1 194 . 1 1 19 19 HIS H H 1 9.29 0.03 . 1 . . . . . . . . 4282 1 195 . 1 1 19 19 HIS CA C 13 55.1 0.12 . 1 . . . . . . . . 4282 1 196 . 1 1 19 19 HIS HA H 1 4.94 0.03 . 1 . . . . . . . . 4282 1 197 . 1 1 19 19 HIS CB C 13 29.8 0.12 . 1 . . . . . . . . 4282 1 198 . 1 1 19 19 HIS HB2 H 1 2.75 0.03 . 2 . . . . . . . . 4282 1 199 . 1 1 19 19 HIS HB3 H 1 2.79 0.03 . 2 . . . . . . . . 4282 1 200 . 1 1 19 19 HIS CD2 C 13 118.7 0.12 . 1 . . . . . . . . 4282 1 201 . 1 1 19 19 HIS HD2 H 1 7.13 0.03 . 1 . . . . . . . . 4282 1 202 . 1 1 19 19 HIS C C 13 175.1 0.12 . 1 . . . . . . . . 4282 1 203 . 1 1 20 20 CYS N N 15 117.3 0.15 . 1 . . . . . . . . 4282 1 204 . 1 1 20 20 CYS H H 1 7.27 0.03 . 1 . . . . . . . . 4282 1 205 . 1 1 20 20 CYS CA C 13 55.6 0.12 . 1 . . . . . . . . 4282 1 206 . 1 1 20 20 CYS HA H 1 5.31 0.03 . 1 . . . . . . . . 4282 1 207 . 1 1 20 20 CYS CB C 13 29.6 0.12 . 1 . . . . . . . . 4282 1 208 . 1 1 20 20 CYS HB2 H 1 3.31 0.03 . 2 . . . . . . . . 4282 1 209 . 1 1 20 20 CYS HB3 H 1 3.44 0.03 . 2 . . . . . . . . 4282 1 210 . 1 1 20 20 CYS C C 13 175.6 0.12 . 1 . . . . . . . . 4282 1 211 . 1 1 21 21 ALA N N 15 123.1 0.15 . 1 . . . . . . . . 4282 1 212 . 1 1 21 21 ALA H H 1 8.85 0.03 . 1 . . . . . . . . 4282 1 213 . 1 1 21 21 ALA CA C 13 55.4 0.12 . 1 . . . . . . . . 4282 1 214 . 1 1 21 21 ALA HA H 1 3.60 0.03 . 1 . . . . . . . . 4282 1 215 . 1 1 21 21 ALA HB1 H 1 0.99 0.03 . 1 . . . . . . . . 4282 1 216 . 1 1 21 21 ALA HB2 H 1 0.99 0.03 . 1 . . . . . . . . 4282 1 217 . 1 1 21 21 ALA HB3 H 1 0.99 0.03 . 1 . . . . . . . . 4282 1 218 . 1 1 21 21 ALA CB C 13 18.6 0.12 . 1 . . . . . . . . 4282 1 219 . 1 1 21 21 ALA C C 13 179.4 0.12 . 1 . . . . . . . . 4282 1 220 . 1 1 22 22 GLU N N 15 115.1 0.15 . 1 . . . . . . . . 4282 1 221 . 1 1 22 22 GLU H H 1 8.62 0.03 . 1 . . . . . . . . 4282 1 222 . 1 1 22 22 GLU CA C 13 58.7 0.12 . 1 . . . . . . . . 4282 1 223 . 1 1 22 22 GLU HA H 1 3.73 0.03 . 1 . . . . . . . . 4282 1 224 . 1 1 22 22 GLU CB C 13 29.0 0.12 . 1 . . . . . . . . 4282 1 225 . 1 1 22 22 GLU HB2 H 1 2.03 0.03 . 2 . . . . . . . . 4282 1 226 . 1 1 22 22 GLU HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4282 1 227 . 1 1 22 22 GLU CG C 13 37.3 0.12 . 1 . . . . . . . . 4282 1 228 . 1 1 22 22 GLU HG2 H 1 2.37 0.03 . 2 . . . . . . . . 4282 1 229 . 1 1 22 22 GLU HG3 H 1 2.44 0.03 . 2 . . . . . . . . 4282 1 230 . 1 1 22 22 GLU C C 13 178.6 0.12 . 1 . . . . . . . . 4282 1 231 . 1 1 23 23 ASN N N 15 119.1 0.15 . 1 . . . . . . . . 4282 1 232 . 1 1 23 23 ASN H H 1 7.90 0.03 . 1 . . . . . . . . 4282 1 233 . 1 1 23 23 ASN CA C 13 55.4 0.12 . 1 . . . . . . . . 4282 1 234 . 1 1 23 23 ASN HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 235 . 1 1 23 23 ASN CB C 13 37.4 0.12 . 1 . . . . . . . . 4282 1 236 . 1 1 23 23 ASN HB2 H 1 2.66 0.03 . 2 . . . . . . . . 4282 1 237 . 1 1 23 23 ASN HB3 H 1 3.02 0.03 . 2 . . . . . . . . 4282 1 238 . 1 1 23 23 ASN CG C 13 175.8 0.12 . 1 . . . . . . . . 4282 1 239 . 1 1 23 23 ASN ND2 N 15 116.7 0.15 . 1 . . . . . . . . 4282 1 240 . 1 1 23 23 ASN HD21 H 1 7.08 0.03 . 2 . . . . . . . . 4282 1 241 . 1 1 23 23 ASN HD22 H 1 9.01 0.03 . 2 . . . . . . . . 4282 1 242 . 1 1 23 23 ASN C C 13 177.9 0.12 . 1 . . . . . . . . 4282 1 243 . 1 1 24 24 LEU N N 15 117.0 0.15 . 1 . . . . . . . . 4282 1 244 . 1 1 24 24 LEU H H 1 8.18 0.03 . 1 . . . . . . . . 4282 1 245 . 1 1 24 24 LEU CA C 13 55.7 0.12 . 1 . . . . . . . . 4282 1 246 . 1 1 24 24 LEU HA H 1 4.45 0.03 . 1 . . . . . . . . 4282 1 247 . 1 1 24 24 LEU CB C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 248 . 1 1 24 24 LEU HB2 H 1 1.41 0.03 . 2 . . . . . . . . 4282 1 249 . 1 1 24 24 LEU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4282 1 250 . 1 1 24 24 LEU CG C 13 27.3 0.12 . 1 . . . . . . . . 4282 1 251 . 1 1 24 24 LEU HG H 1 1.87 0.03 . 1 . . . . . . . . 4282 1 252 . 1 1 24 24 LEU HD11 H 1 0.76 0.03 . 2 . . . . . . . . 4282 1 253 . 1 1 24 24 LEU HD12 H 1 0.76 0.03 . 2 . . . . . . . . 4282 1 254 . 1 1 24 24 LEU HD13 H 1 0.76 0.03 . 2 . . . . . . . . 4282 1 255 . 1 1 24 24 LEU HD21 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 256 . 1 1 24 24 LEU HD22 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 257 . 1 1 24 24 LEU HD23 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 258 . 1 1 24 24 LEU CD1 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 259 . 1 1 24 24 LEU CD2 C 13 21.7 0.12 . 1 . . . . . . . . 4282 1 260 . 1 1 24 24 LEU C C 13 173.5 0.12 . 1 . . . . . . . . 4282 1 261 . 1 1 25 25 LEU N N 15 114.5 0.15 . 1 . . . . . . . . 4282 1 262 . 1 1 25 25 LEU H H 1 7.52 0.03 . 1 . . . . . . . . 4282 1 263 . 1 1 25 25 LEU CA C 13 56.3 0.12 . 1 . . . . . . . . 4282 1 264 . 1 1 25 25 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 4282 1 265 . 1 1 25 25 LEU CB C 13 41.4 0.12 . 1 . . . . . . . . 4282 1 266 . 1 1 25 25 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 4282 1 267 . 1 1 25 25 LEU HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4282 1 268 . 1 1 25 25 LEU CG C 13 27.3 0.12 . 1 . . . . . . . . 4282 1 269 . 1 1 25 25 LEU HG H 1 1.60 0.03 . 1 . . . . . . . . 4282 1 270 . 1 1 25 25 LEU HD11 H 1 0.56 0.03 . 2 . . . . . . . . 4282 1 271 . 1 1 25 25 LEU HD12 H 1 0.56 0.03 . 2 . . . . . . . . 4282 1 272 . 1 1 25 25 LEU HD13 H 1 0.56 0.03 . 2 . . . . . . . . 4282 1 273 . 1 1 25 25 LEU HD21 H 1 0.97 0.03 . 2 . . . . . . . . 4282 1 274 . 1 1 25 25 LEU HD22 H 1 0.97 0.03 . 2 . . . . . . . . 4282 1 275 . 1 1 25 25 LEU HD23 H 1 0.97 0.03 . 2 . . . . . . . . 4282 1 276 . 1 1 25 25 LEU CD1 C 13 23.6 0.12 . 1 . . . . . . . . 4282 1 277 . 1 1 25 25 LEU CD2 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 278 . 1 1 25 25 LEU C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 279 . 1 1 26 26 LYS N N 15 118.0 0.15 . 1 . . . . . . . . 4282 1 280 . 1 1 26 26 LYS H H 1 7.29 0.03 . 1 . . . . . . . . 4282 1 281 . 1 1 26 26 LYS CA C 13 54.8 0.12 . 1 . . . . . . . . 4282 1 282 . 1 1 26 26 LYS HA H 1 4.61 0.03 . 1 . . . . . . . . 4282 1 283 . 1 1 26 26 LYS CB C 13 34.5 0.12 . 1 . . . . . . . . 4282 1 284 . 1 1 26 26 LYS HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4282 1 285 . 1 1 26 26 LYS HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4282 1 286 . 1 1 26 26 LYS CG C 13 25.1 0.12 . 1 . . . . . . . . 4282 1 287 . 1 1 26 26 LYS HG2 H 1 1.47 0.03 . 2 . . . . . . . . 4282 1 288 . 1 1 26 26 LYS HG3 H 1 1.51 0.03 . 2 . . . . . . . . 4282 1 289 . 1 1 26 26 LYS CD C 13 29.3 0.12 . 1 . . . . . . . . 4282 1 290 . 1 1 26 26 LYS HD2 H 1 1.74 0.03 . 1 . . . . . . . . 4282 1 291 . 1 1 26 26 LYS HD3 H 1 1.74 0.03 . 1 . . . . . . . . 4282 1 292 . 1 1 26 26 LYS CE C 13 42.2 0.12 . 1 . . . . . . . . 4282 1 293 . 1 1 26 26 LYS HE2 H 1 3.01 0.03 . 1 . . . . . . . . 4282 1 294 . 1 1 26 26 LYS HE3 H 1 3.01 0.03 . 1 . . . . . . . . 4282 1 295 . 1 1 26 26 LYS C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 296 . 1 1 27 27 ALA N N 15 125.4 0.15 . 1 . . . . . . . . 4282 1 297 . 1 1 27 27 ALA H H 1 8.55 0.03 . 1 . . . . . . . . 4282 1 298 . 1 1 27 27 ALA CA C 13 53.1 0.12 . 1 . . . . . . . . 4282 1 299 . 1 1 27 27 ALA HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 300 . 1 1 27 27 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 301 . 1 1 27 27 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 302 . 1 1 27 27 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 303 . 1 1 27 27 ALA CB C 13 18.6 0.12 . 1 . . . . . . . . 4282 1 304 . 1 1 27 27 ALA C C 13 177.5 0.12 . 1 . . . . . . . . 4282 1 305 . 1 1 28 28 ASP N N 15 118.4 0.15 . 1 . . . . . . . . 4282 1 306 . 1 1 28 28 ASP H H 1 8.11 0.03 . 1 . . . . . . . . 4282 1 307 . 1 1 28 28 ASP CA C 13 53.6 0.12 . 1 . . . . . . . . 4282 1 308 . 1 1 28 28 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 4282 1 309 . 1 1 28 28 ASP CB C 13 41.7 0.12 . 1 . . . . . . . . 4282 1 310 . 1 1 28 28 ASP HB2 H 1 2.70 0.03 . 1 . . . . . . . . 4282 1 311 . 1 1 28 28 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4282 1 312 . 1 1 28 28 ASP C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 313 . 1 1 29 29 THR N N 15 113.2 0.15 . 1 . . . . . . . . 4282 1 314 . 1 1 29 29 THR H H 1 8.16 0.03 . 1 . . . . . . . . 4282 1 315 . 1 1 29 29 THR CA C 13 62.8 0.12 . 1 . . . . . . . . 4282 1 316 . 1 1 29 29 THR HA H 1 4.34 0.03 . 1 . . . . . . . . 4282 1 317 . 1 1 29 29 THR CB C 13 69.5 0.12 . 1 . . . . . . . . 4282 1 318 . 1 1 29 29 THR HB H 1 4.20 0.03 . 1 . . . . . . . . 4282 1 319 . 1 1 29 29 THR HG21 H 1 1.11 0.03 . 1 . . . . . . . . 4282 1 320 . 1 1 29 29 THR HG22 H 1 1.11 0.03 . 1 . . . . . . . . 4282 1 321 . 1 1 29 29 THR HG23 H 1 1.11 0.03 . 1 . . . . . . . . 4282 1 322 . 1 1 29 29 THR CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 323 . 1 1 29 29 THR C C 13 174.5 0.12 . 1 . . . . . . . . 4282 1 324 . 1 1 30 30 TYR N N 15 120.4 0.15 . 1 . . . . . . . . 4282 1 325 . 1 1 30 30 TYR H H 1 8.18 0.03 . 1 . . . . . . . . 4282 1 326 . 1 1 30 30 TYR CA C 13 58.6 0.12 . 1 . . . . . . . . 4282 1 327 . 1 1 30 30 TYR HA H 1 4.58 0.03 . 1 . . . . . . . . 4282 1 328 . 1 1 30 30 TYR CB C 13 38.1 0.12 . 1 . . . . . . . . 4282 1 329 . 1 1 30 30 TYR HB2 H 1 3.09 0.03 . 2 . . . . . . . . 4282 1 330 . 1 1 30 30 TYR HB3 H 1 3.18 0.03 . 2 . . . . . . . . 4282 1 331 . 1 1 30 30 TYR HD1 H 1 7.15 0.03 . 1 . . . . . . . . 4282 1 332 . 1 1 30 30 TYR HD2 H 1 7.15 0.03 . 1 . . . . . . . . 4282 1 333 . 1 1 30 30 TYR HE1 H 1 6.80 0.03 . 1 . . . . . . . . 4282 1 334 . 1 1 30 30 TYR HE2 H 1 6.80 0.03 . 1 . . . . . . . . 4282 1 335 . 1 1 30 30 TYR CD1 C 13 133.0 0.12 . 1 . . . . . . . . 4282 1 336 . 1 1 30 30 TYR CE1 C 13 118.0 0.12 . 1 . . . . . . . . 4282 1 337 . 1 1 30 30 TYR CE2 C 13 118.0 0.12 . 1 . . . . . . . . 4282 1 338 . 1 1 30 30 TYR CD2 C 13 133.0 0.12 . 1 . . . . . . . . 4282 1 339 . 1 1 30 30 TYR C C 13 173.0 0.12 . 1 . . . . . . . . 4282 1 340 . 1 1 31 31 ARG N N 15 121.5 0.15 . 1 . . . . . . . . 4282 1 341 . 1 1 31 31 ARG H H 1 8.12 0.03 . 1 . . . . . . . . 4282 1 342 . 1 1 31 31 ARG CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 343 . 1 1 31 31 ARG HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 344 . 1 1 31 31 ARG HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4282 1 345 . 1 1 31 31 ARG HB3 H 1 1.88 0.03 . 1 . . . . . . . . 4282 1 346 . 1 1 31 31 ARG HG2 H 1 1.62 0.03 . 1 . . . . . . . . 4282 1 347 . 1 1 31 31 ARG HG3 H 1 1.62 0.03 . 1 . . . . . . . . 4282 1 348 . 1 1 31 31 ARG CD C 13 43.4 0.12 . 1 . . . . . . . . 4282 1 349 . 1 1 31 31 ARG HD2 H 1 3.11 0.03 . 1 . . . . . . . . 4282 1 350 . 1 1 31 31 ARG HD3 H 1 3.11 0.03 . 1 . . . . . . . . 4282 1 351 . 1 1 31 31 ARG C C 13 175.8 0.12 . 1 . . . . . . . . 4282 1 352 . 1 1 32 32 LYS N N 15 121.5 0.15 . 1 . . . . . . . . 4282 1 353 . 1 1 32 32 LYS H H 1 8.07 0.03 . 1 . . . . . . . . 4282 1 354 . 1 1 32 32 LYS CA C 13 55.5 0.12 . 1 . . . . . . . . 4282 1 355 . 1 1 32 32 LYS HA H 1 4.59 0.03 . 1 . . . . . . . . 4282 1 356 . 1 1 32 32 LYS CB C 13 34.6 0.12 . 1 . . . . . . . . 4282 1 357 . 1 1 32 32 LYS HB2 H 1 1.51 0.03 . 2 . . . . . . . . 4282 1 358 . 1 1 32 32 LYS HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4282 1 359 . 1 1 32 32 LYS CG C 13 25.1 0.12 . 1 . . . . . . . . 4282 1 360 . 1 1 32 32 LYS HG2 H 1 1.22 0.03 . 2 . . . . . . . . 4282 1 361 . 1 1 32 32 LYS HG3 H 1 1.29 0.03 . 2 . . . . . . . . 4282 1 362 . 1 1 32 32 LYS CD C 13 29.1 0.12 . 1 . . . . . . . . 4282 1 363 . 1 1 32 32 LYS HD2 H 1 1.27 0.03 . 2 . . . . . . . . 4282 1 364 . 1 1 32 32 LYS HD3 H 1 1.49 0.03 . 2 . . . . . . . . 4282 1 365 . 1 1 32 32 LYS CE C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 366 . 1 1 32 32 LYS HE2 H 1 2.58 0.03 . 2 . . . . . . . . 4282 1 367 . 1 1 32 32 LYS HE3 H 1 2.68 0.03 . 2 . . . . . . . . 4282 1 368 . 1 1 32 32 LYS C C 13 175.3 0.12 . 1 . . . . . . . . 4282 1 369 . 1 1 33 33 TRP N N 15 120.2 0.15 . 1 . . . . . . . . 4282 1 370 . 1 1 33 33 TRP H H 1 8.43 0.03 . 1 . . . . . . . . 4282 1 371 . 1 1 33 33 TRP CA C 13 54.5 0.12 . 1 . . . . . . . . 4282 1 372 . 1 1 33 33 TRP HA H 1 5.12 0.03 . 1 . . . . . . . . 4282 1 373 . 1 1 33 33 TRP CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 374 . 1 1 33 33 TRP HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4282 1 375 . 1 1 33 33 TRP HB3 H 1 3.10 0.03 . 2 . . . . . . . . 4282 1 376 . 1 1 33 33 TRP CD1 C 13 125.1 0.12 . 1 . . . . . . . . 4282 1 377 . 1 1 33 33 TRP CE3 C 13 119.0 0.12 . 1 . . . . . . . . 4282 1 378 . 1 1 33 33 TRP NE1 N 15 128.3 0.15 . 1 . . . . . . . . 4282 1 379 . 1 1 33 33 TRP HD1 H 1 7.21 0.03 . 1 . . . . . . . . 4282 1 380 . 1 1 33 33 TRP HE3 H 1 7.20 0.03 . 1 . . . . . . . . 4282 1 381 . 1 1 33 33 TRP CZ3 C 13 121.4 0.12 . 1 . . . . . . . . 4282 1 382 . 1 1 33 33 TRP CZ2 C 13 114.0 0.12 . 1 . . . . . . . . 4282 1 383 . 1 1 33 33 TRP HE1 H 1 10.07 0.03 . 1 . . . . . . . . 4282 1 384 . 1 1 33 33 TRP HZ3 H 1 6.77 0.03 . 1 . . . . . . . . 4282 1 385 . 1 1 33 33 TRP CH2 C 13 123.5 0.12 . 1 . . . . . . . . 4282 1 386 . 1 1 33 33 TRP HZ2 H 1 7.09 0.03 . 1 . . . . . . . . 4282 1 387 . 1 1 33 33 TRP HH2 H 1 6.68 0.03 . 1 . . . . . . . . 4282 1 388 . 1 1 33 33 TRP C C 13 174.0 0.12 . 1 . . . . . . . . 4282 1 389 . 1 1 34 34 ARG N N 15 123.4 0.15 . 1 . . . . . . . . 4282 1 390 . 1 1 34 34 ARG H H 1 8.64 0.03 . 1 . . . . . . . . 4282 1 391 . 1 1 34 34 ARG CA C 13 53.1 0.12 . 1 . . . . . . . . 4282 1 392 . 1 1 34 34 ARG HA H 1 4.04 0.03 . 1 . . . . . . . . 4282 1 393 . 1 1 34 34 ARG CB C 13 36.5 0.12 . 1 . . . . . . . . 4282 1 394 . 1 1 34 34 ARG HB2 H 1 1.22 0.03 . 2 . . . . . . . . 4282 1 395 . 1 1 34 34 ARG HB3 H 1 1.43 0.03 . 2 . . . . . . . . 4282 1 396 . 1 1 34 34 ARG CG C 13 27.6 0.12 . 1 . . . . . . . . 4282 1 397 . 1 1 34 34 ARG HG2 H 1 1.14 0.03 . 1 . . . . . . . . 4282 1 398 . 1 1 34 34 ARG HG3 H 1 1.14 0.03 . 1 . . . . . . . . 4282 1 399 . 1 1 34 34 ARG CD C 13 44.0 0.12 . 1 . . . . . . . . 4282 1 400 . 1 1 34 34 ARG HD2 H 1 2.43 0.03 . 2 . . . . . . . . 4282 1 401 . 1 1 34 34 ARG HD3 H 1 2.65 0.03 . 2 . . . . . . . . 4282 1 402 . 1 1 34 34 ARG NE N 15 84.9 0.15 . 1 . . . . . . . . 4282 1 403 . 1 1 34 34 ARG HE H 1 8.11 0.03 . 1 . . . . . . . . 4282 1 404 . 1 1 34 34 ARG C C 13 174.1 0.12 . 1 . . . . . . . . 4282 1 405 . 1 1 35 35 ALA N N 15 118.1 0.15 . 1 . . . . . . . . 4282 1 406 . 1 1 35 35 ALA H H 1 7.24 0.03 . 1 . . . . . . . . 4282 1 407 . 1 1 35 35 ALA CA C 13 51.1 0.12 . 1 . . . . . . . . 4282 1 408 . 1 1 35 35 ALA HA H 1 3.58 0.03 . 1 . . . . . . . . 4282 1 409 . 1 1 35 35 ALA HB1 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 410 . 1 1 35 35 ALA HB2 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 411 . 1 1 35 35 ALA HB3 H 1 0.96 0.03 . 1 . . . . . . . . 4282 1 412 . 1 1 35 35 ALA CB C 13 20.3 0.12 . 1 . . . . . . . . 4282 1 413 . 1 1 35 35 ALA C C 13 176.0 0.12 . 1 . . . . . . . . 4282 1 414 . 1 1 36 36 ALA N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 415 . 1 1 36 36 ALA H H 1 8.38 0.03 . 1 . . . . . . . . 4282 1 416 . 1 1 36 36 ALA CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 417 . 1 1 36 36 ALA HA H 1 3.66 0.03 . 1 . . . . . . . . 4282 1 418 . 1 1 36 36 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . 4282 1 419 . 1 1 36 36 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . 4282 1 420 . 1 1 36 36 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . 4282 1 421 . 1 1 36 36 ALA CB C 13 19.6 0.12 . 1 . . . . . . . . 4282 1 422 . 1 1 36 36 ALA C C 13 177.5 0.12 . 1 . . . . . . . . 4282 1 423 . 1 1 37 37 LYS N N 15 110.3 0.15 . 1 . . . . . . . . 4282 1 424 . 1 1 37 37 LYS H H 1 7.21 0.03 . 1 . . . . . . . . 4282 1 425 . 1 1 37 37 LYS CA C 13 54.1 0.12 . 1 . . . . . . . . 4282 1 426 . 1 1 37 37 LYS HA H 1 4.55 0.03 . 1 . . . . . . . . 4282 1 427 . 1 1 37 37 LYS CB C 13 35.3 0.12 . 1 . . . . . . . . 4282 1 428 . 1 1 37 37 LYS HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4282 1 429 . 1 1 37 37 LYS HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4282 1 430 . 1 1 37 37 LYS CG C 13 23.5 0.12 . 1 . . . . . . . . 4282 1 431 . 1 1 37 37 LYS HG2 H 1 1.26 0.03 . 2 . . . . . . . . 4282 1 432 . 1 1 37 37 LYS HG3 H 1 1.36 0.03 . 2 . . . . . . . . 4282 1 433 . 1 1 37 37 LYS CD C 13 29.3 0.12 . 1 . . . . . . . . 4282 1 434 . 1 1 37 37 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 435 . 1 1 37 37 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 436 . 1 1 37 37 LYS CE C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 437 . 1 1 37 37 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4282 1 438 . 1 1 37 37 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4282 1 439 . 1 1 37 37 LYS C C 13 175.1 0.12 . 1 . . . . . . . . 4282 1 440 . 1 1 38 38 ALA N N 15 122.7 0.15 . 1 . . . . . . . . 4282 1 441 . 1 1 38 38 ALA H H 1 8.57 0.03 . 1 . . . . . . . . 4282 1 442 . 1 1 38 38 ALA CA C 13 52.5 0.12 . 1 . . . . . . . . 4282 1 443 . 1 1 38 38 ALA HA H 1 3.86 0.03 . 1 . . . . . . . . 4282 1 444 . 1 1 38 38 ALA HB1 H 1 1.23 0.03 . 1 . . . . . . . . 4282 1 445 . 1 1 38 38 ALA HB2 H 1 1.23 0.03 . 1 . . . . . . . . 4282 1 446 . 1 1 38 38 ALA HB3 H 1 1.23 0.03 . 1 . . . . . . . . 4282 1 447 . 1 1 38 38 ALA CB C 13 19.1 0.12 . 1 . . . . . . . . 4282 1 448 . 1 1 38 38 ALA C C 13 178.0 0.12 . 1 . . . . . . . . 4282 1 449 . 1 1 39 39 GLY N N 15 108.7 0.15 . 1 . . . . . . . . 4282 1 450 . 1 1 39 39 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 4282 1 451 . 1 1 39 39 GLY CA C 13 46.0 0.12 . 1 . . . . . . . . 4282 1 452 . 1 1 39 39 GLY HA2 H 1 3.71 0.03 . 2 . . . . . . . . 4282 1 453 . 1 1 39 39 GLY HA3 H 1 4.21 0.03 . 2 . . . . . . . . 4282 1 454 . 1 1 39 39 GLY C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 455 . 1 1 40 40 GLU N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 456 . 1 1 40 40 GLU H H 1 7.93 0.03 . 1 . . . . . . . . 4282 1 457 . 1 1 40 40 GLU CA C 13 56.7 0.12 . 1 . . . . . . . . 4282 1 458 . 1 1 40 40 GLU HA H 1 4.38 0.03 . 1 . . . . . . . . 4282 1 459 . 1 1 40 40 GLU CB C 13 30.4 0.12 . 1 . . . . . . . . 4282 1 460 . 1 1 40 40 GLU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 4282 1 461 . 1 1 40 40 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4282 1 462 . 1 1 40 40 GLU CG C 13 36.5 0.12 . 1 . . . . . . . . 4282 1 463 . 1 1 40 40 GLU HG2 H 1 2.16 0.03 . 2 . . . . . . . . 4282 1 464 . 1 1 40 40 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 4282 1 465 . 1 1 40 40 GLU C C 13 176.9 0.12 . 1 . . . . . . . . 4282 1 466 . 1 1 41 41 LYS N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 467 . 1 1 41 41 LYS H H 1 8.69 0.03 . 1 . . . . . . . . 4282 1 468 . 1 1 41 41 LYS CA C 13 59.9 0.12 . 1 . . . . . . . . 4282 1 469 . 1 1 41 41 LYS HA H 1 3.96 0.03 . 1 . . . . . . . . 4282 1 470 . 1 1 41 41 LYS CB C 13 32.9 0.12 . 1 . . . . . . . . 4282 1 471 . 1 1 41 41 LYS HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4282 1 472 . 1 1 41 41 LYS HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4282 1 473 . 1 1 41 41 LYS CG C 13 25.5 0.12 . 1 . . . . . . . . 4282 1 474 . 1 1 41 41 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 4282 1 475 . 1 1 41 41 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4282 1 476 . 1 1 41 41 LYS CD C 13 29.4 0.12 . 1 . . . . . . . . 4282 1 477 . 1 1 41 41 LYS HD2 H 1 1.69 0.03 . 1 . . . . . . . . 4282 1 478 . 1 1 41 41 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 4282 1 479 . 1 1 41 41 LYS CE C 13 42.2 0.12 . 1 . . . . . . . . 4282 1 480 . 1 1 41 41 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 481 . 1 1 41 41 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 482 . 1 1 41 41 LYS C C 13 177.1 0.12 . 1 . . . . . . . . 4282 1 483 . 1 1 42 42 THR N N 15 113.4 0.15 . 1 . . . . . . . . 4282 1 484 . 1 1 42 42 THR H H 1 8.06 0.03 . 1 . . . . . . . . 4282 1 485 . 1 1 42 42 THR CA C 13 60.9 0.12 . 1 . . . . . . . . 4282 1 486 . 1 1 42 42 THR HA H 1 5.40 0.03 . 1 . . . . . . . . 4282 1 487 . 1 1 42 42 THR CB C 13 72.0 0.12 . 1 . . . . . . . . 4282 1 488 . 1 1 42 42 THR HB H 1 3.89 0.03 . 1 . . . . . . . . 4282 1 489 . 1 1 42 42 THR HG21 H 1 1.13 0.03 . 1 . . . . . . . . 4282 1 490 . 1 1 42 42 THR HG22 H 1 1.13 0.03 . 1 . . . . . . . . 4282 1 491 . 1 1 42 42 THR HG23 H 1 1.13 0.03 . 1 . . . . . . . . 4282 1 492 . 1 1 42 42 THR CG2 C 13 21.9 0.12 . 1 . . . . . . . . 4282 1 493 . 1 1 42 42 THR C C 13 173.4 0.12 . 1 . . . . . . . . 4282 1 494 . 1 1 43 43 ILE N N 15 119.0 0.15 . 1 . . . . . . . . 4282 1 495 . 1 1 43 43 ILE H H 1 9.25 0.03 . 1 . . . . . . . . 4282 1 496 . 1 1 43 43 ILE CA C 13 60.2 0.12 . 1 . . . . . . . . 4282 1 497 . 1 1 43 43 ILE HA H 1 4.67 0.03 . 1 . . . . . . . . 4282 1 498 . 1 1 43 43 ILE CB C 13 42.5 0.12 . 1 . . . . . . . . 4282 1 499 . 1 1 43 43 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 4282 1 500 . 1 1 43 43 ILE HG21 H 1 0.66 0.03 . 1 . . . . . . . . 4282 1 501 . 1 1 43 43 ILE HG22 H 1 0.66 0.03 . 1 . . . . . . . . 4282 1 502 . 1 1 43 43 ILE HG23 H 1 0.66 0.03 . 1 . . . . . . . . 4282 1 503 . 1 1 43 43 ILE CG2 C 13 18.2 0.12 . 1 . . . . . . . . 4282 1 504 . 1 1 43 43 ILE CG1 C 13 25.3 0.12 . 1 . . . . . . . . 4282 1 505 . 1 1 43 43 ILE HG12 H 1 0.82 0.03 . 2 . . . . . . . . 4282 1 506 . 1 1 43 43 ILE HG13 H 1 1.24 0.03 . 2 . . . . . . . . 4282 1 507 . 1 1 43 43 ILE HD11 H 1 -0.60 0.03 . 1 . . . . . . . . 4282 1 508 . 1 1 43 43 ILE HD12 H 1 -0.60 0.03 . 1 . . . . . . . . 4282 1 509 . 1 1 43 43 ILE HD13 H 1 -0.60 0.03 . 1 . . . . . . . . 4282 1 510 . 1 1 43 43 ILE CD1 C 13 12.7 0.12 . 1 . . . . . . . . 4282 1 511 . 1 1 43 43 ILE C C 13 173.5 0.12 . 1 . . . . . . . . 4282 1 512 . 1 1 44 44 SER N N 15 113.9 0.15 . 1 . . . . . . . . 4282 1 513 . 1 1 44 44 SER H H 1 9.04 0.03 . 1 . . . . . . . . 4282 1 514 . 1 1 44 44 SER CA C 13 56.9 0.12 . 1 . . . . . . . . 4282 1 515 . 1 1 44 44 SER HA H 1 6.20 0.03 . 1 . . . . . . . . 4282 1 516 . 1 1 44 44 SER CB C 13 68.0 0.12 . 1 . . . . . . . . 4282 1 517 . 1 1 44 44 SER HB2 H 1 3.66 0.03 . 2 . . . . . . . . 4282 1 518 . 1 1 44 44 SER HB3 H 1 3.82 0.03 . 2 . . . . . . . . 4282 1 519 . 1 1 44 44 SER C C 13 172.6 0.12 . 1 . . . . . . . . 4282 1 520 . 1 1 45 45 VAL N N 15 119.7 0.15 . 1 . . . . . . . . 4282 1 521 . 1 1 45 45 VAL H H 1 8.61 0.03 . 1 . . . . . . . . 4282 1 522 . 1 1 45 45 VAL CA C 13 59.3 0.12 . 1 . . . . . . . . 4282 1 523 . 1 1 45 45 VAL HA H 1 4.73 0.03 . 1 . . . . . . . . 4282 1 524 . 1 1 45 45 VAL CB C 13 34.9 0.12 . 1 . . . . . . . . 4282 1 525 . 1 1 45 45 VAL HB H 1 1.10 0.03 . 1 . . . . . . . . 4282 1 526 . 1 1 45 45 VAL HG11 H 1 0.30 0.03 . 2 . . . . . . . . 4282 1 527 . 1 1 45 45 VAL HG12 H 1 0.30 0.03 . 2 . . . . . . . . 4282 1 528 . 1 1 45 45 VAL HG13 H 1 0.30 0.03 . 2 . . . . . . . . 4282 1 529 . 1 1 45 45 VAL HG21 H 1 0.54 0.03 . 2 . . . . . . . . 4282 1 530 . 1 1 45 45 VAL HG22 H 1 0.54 0.03 . 2 . . . . . . . . 4282 1 531 . 1 1 45 45 VAL HG23 H 1 0.54 0.03 . 2 . . . . . . . . 4282 1 532 . 1 1 45 45 VAL CG1 C 13 20.5 0.12 . 1 . . . . . . . . 4282 1 533 . 1 1 45 45 VAL CG2 C 13 22.7 0.12 . 1 . . . . . . . . 4282 1 534 . 1 1 45 45 VAL C C 13 171.3 0.12 . 1 . . . . . . . . 4282 1 535 . 1 1 46 46 VAL N N 15 125.9 0.15 . 1 . . . . . . . . 4282 1 536 . 1 1 46 46 VAL H H 1 8.46 0.03 . 1 . . . . . . . . 4282 1 537 . 1 1 46 46 VAL CA C 13 60.9 0.12 . 1 . . . . . . . . 4282 1 538 . 1 1 46 46 VAL HA H 1 5.06 0.03 . 1 . . . . . . . . 4282 1 539 . 1 1 46 46 VAL CB C 13 33.5 0.12 . 1 . . . . . . . . 4282 1 540 . 1 1 46 46 VAL HB H 1 1.89 0.03 . 1 . . . . . . . . 4282 1 541 . 1 1 46 46 VAL HG11 H 1 0.64 0.03 . 2 . . . . . . . . 4282 1 542 . 1 1 46 46 VAL HG12 H 1 0.64 0.03 . 2 . . . . . . . . 4282 1 543 . 1 1 46 46 VAL HG13 H 1 0.64 0.03 . 2 . . . . . . . . 4282 1 544 . 1 1 46 46 VAL HG21 H 1 0.82 0.03 . 2 . . . . . . . . 4282 1 545 . 1 1 46 46 VAL HG22 H 1 0.82 0.03 . 2 . . . . . . . . 4282 1 546 . 1 1 46 46 VAL HG23 H 1 0.82 0.03 . 2 . . . . . . . . 4282 1 547 . 1 1 46 46 VAL CG1 C 13 21.1 0.12 . 1 . . . . . . . . 4282 1 548 . 1 1 46 46 VAL CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 549 . 1 1 46 46 VAL C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 550 . 1 1 47 47 LEU N N 15 127.2 0.15 . 1 . . . . . . . . 4282 1 551 . 1 1 47 47 LEU H H 1 9.53 0.03 . 1 . . . . . . . . 4282 1 552 . 1 1 47 47 LEU CA C 13 53.1 0.12 . 1 . . . . . . . . 4282 1 553 . 1 1 47 47 LEU HA H 1 4.93 0.03 . 1 . . . . . . . . 4282 1 554 . 1 1 47 47 LEU CB C 13 44.9 0.12 . 1 . . . . . . . . 4282 1 555 . 1 1 47 47 LEU HB2 H 1 1.17 0.03 . 2 . . . . . . . . 4282 1 556 . 1 1 47 47 LEU HB3 H 1 1.64 0.03 . 2 . . . . . . . . 4282 1 557 . 1 1 47 47 LEU CG C 13 26.7 0.12 . 1 . . . . . . . . 4282 1 558 . 1 1 47 47 LEU HG H 1 1.49 0.03 . 1 . . . . . . . . 4282 1 559 . 1 1 47 47 LEU HD11 H 1 0.70 0.03 . 2 . . . . . . . . 4282 1 560 . 1 1 47 47 LEU HD12 H 1 0.70 0.03 . 2 . . . . . . . . 4282 1 561 . 1 1 47 47 LEU HD13 H 1 0.70 0.03 . 2 . . . . . . . . 4282 1 562 . 1 1 47 47 LEU HD21 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 563 . 1 1 47 47 LEU HD22 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 564 . 1 1 47 47 LEU HD23 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 565 . 1 1 47 47 LEU CD1 C 13 25.4 0.12 . 1 . . . . . . . . 4282 1 566 . 1 1 47 47 LEU CD2 C 13 26.2 0.12 . 1 . . . . . . . . 4282 1 567 . 1 1 47 47 LEU C C 13 174.3 0.12 . 1 . . . . . . . . 4282 1 568 . 1 1 48 48 GLN N N 15 121.9 0.15 . 1 . . . . . . . . 4282 1 569 . 1 1 48 48 GLN H H 1 8.61 0.03 . 1 . . . . . . . . 4282 1 570 . 1 1 48 48 GLN CA C 13 53.8 0.12 . 1 . . . . . . . . 4282 1 571 . 1 1 48 48 GLN HA H 1 4.78 0.03 . 1 . . . . . . . . 4282 1 572 . 1 1 48 48 GLN CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 573 . 1 1 48 48 GLN HB2 H 1 1.13 0.03 . 2 . . . . . . . . 4282 1 574 . 1 1 48 48 GLN HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4282 1 575 . 1 1 48 48 GLN CG C 13 32.9 0.12 . 1 . . . . . . . . 4282 1 576 . 1 1 48 48 GLN HG2 H 1 2.29 0.03 . 2 . . . . . . . . 4282 1 577 . 1 1 48 48 GLN HG3 H 1 2.40 0.03 . 2 . . . . . . . . 4282 1 578 . 1 1 48 48 GLN CD C 13 178.8 0.12 . 1 . . . . . . . . 4282 1 579 . 1 1 48 48 GLN NE2 N 15 115.6 0.15 . 1 . . . . . . . . 4282 1 580 . 1 1 48 48 GLN HE21 H 1 6.95 0.03 . 2 . . . . . . . . 4282 1 581 . 1 1 48 48 GLN HE22 H 1 7.97 0.03 . 2 . . . . . . . . 4282 1 582 . 1 1 48 48 GLN C C 13 175.6 0.12 . 1 . . . . . . . . 4282 1 583 . 1 1 49 49 LEU N N 15 129.1 0.15 . 1 . . . . . . . . 4282 1 584 . 1 1 49 49 LEU H H 1 8.95 0.03 . 1 . . . . . . . . 4282 1 585 . 1 1 49 49 LEU CA C 13 55.3 0.12 . 1 . . . . . . . . 4282 1 586 . 1 1 49 49 LEU HA H 1 4.48 0.03 . 1 . . . . . . . . 4282 1 587 . 1 1 49 49 LEU CB C 13 41.7 0.12 . 1 . . . . . . . . 4282 1 588 . 1 1 49 49 LEU HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4282 1 589 . 1 1 49 49 LEU HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4282 1 590 . 1 1 49 49 LEU CG C 13 28.7 0.12 . 1 . . . . . . . . 4282 1 591 . 1 1 49 49 LEU HG H 1 1.41 0.03 . 1 . . . . . . . . 4282 1 592 . 1 1 49 49 LEU HD11 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 593 . 1 1 49 49 LEU HD12 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 594 . 1 1 49 49 LEU HD13 H 1 0.63 0.03 . 2 . . . . . . . . 4282 1 595 . 1 1 49 49 LEU HD21 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 596 . 1 1 49 49 LEU HD22 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 597 . 1 1 49 49 LEU HD23 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 598 . 1 1 49 49 LEU CD1 C 13 24.3 0.12 . 1 . . . . . . . . 4282 1 599 . 1 1 49 49 LEU CD2 C 13 24.4 0.12 . 1 . . . . . . . . 4282 1 600 . 1 1 49 49 LEU C C 13 177.2 0.12 . 1 . . . . . . . . 4282 1 601 . 1 1 50 50 GLU N N 15 119.6 0.15 . 1 . . . . . . . . 4282 1 602 . 1 1 50 50 GLU H H 1 8.37 0.03 . 1 . . . . . . . . 4282 1 603 . 1 1 50 50 GLU CA C 13 59.8 0.12 . 1 . . . . . . . . 4282 1 604 . 1 1 50 50 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4282 1 605 . 1 1 50 50 GLU CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 606 . 1 1 50 50 GLU HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4282 1 607 . 1 1 50 50 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4282 1 608 . 1 1 50 50 GLU CG C 13 36.3 0.12 . 1 . . . . . . . . 4282 1 609 . 1 1 50 50 GLU HG2 H 1 2.20 0.03 . 1 . . . . . . . . 4282 1 610 . 1 1 50 50 GLU HG3 H 1 2.20 0.03 . 1 . . . . . . . . 4282 1 611 . 1 1 50 50 GLU C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 612 . 1 1 51 51 LYS N N 15 113.8 0.15 . 1 . . . . . . . . 4282 1 613 . 1 1 51 51 LYS H H 1 8.10 0.03 . 1 . . . . . . . . 4282 1 614 . 1 1 51 51 LYS CA C 13 53.7 0.12 . 1 . . . . . . . . 4282 1 615 . 1 1 51 51 LYS HA H 1 4.56 0.03 . 1 . . . . . . . . 4282 1 616 . 1 1 51 51 LYS CB C 13 34.8 0.12 . 1 . . . . . . . . 4282 1 617 . 1 1 51 51 LYS HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4282 1 618 . 1 1 51 51 LYS HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4282 1 619 . 1 1 51 51 LYS CG C 13 23.0 0.12 . 1 . . . . . . . . 4282 1 620 . 1 1 51 51 LYS HG2 H 1 1.14 0.03 . 2 . . . . . . . . 4282 1 621 . 1 1 51 51 LYS HG3 H 1 1.34 0.03 . 2 . . . . . . . . 4282 1 622 . 1 1 51 51 LYS CD C 13 29.5 0.12 . 1 . . . . . . . . 4282 1 623 . 1 1 51 51 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4282 1 624 . 1 1 51 51 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4282 1 625 . 1 1 51 51 LYS CE C 13 42.2 0.12 . 1 . . . . . . . . 4282 1 626 . 1 1 51 51 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 627 . 1 1 51 51 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 628 . 1 1 51 51 LYS C C 13 173.3 0.12 . 1 . . . . . . . . 4282 1 629 . 1 1 52 52 GLU N N 15 115.9 0.15 . 1 . . . . . . . . 4282 1 630 . 1 1 52 52 GLU H H 1 8.10 0.03 . 1 . . . . . . . . 4282 1 631 . 1 1 52 52 GLU CA C 13 56.6 0.12 . 1 . . . . . . . . 4282 1 632 . 1 1 52 52 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 4282 1 633 . 1 1 52 52 GLU CB C 13 29.8 0.12 . 1 . . . . . . . . 4282 1 634 . 1 1 52 52 GLU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 4282 1 635 . 1 1 52 52 GLU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4282 1 636 . 1 1 52 52 GLU CG C 13 37.3 0.12 . 1 . . . . . . . . 4282 1 637 . 1 1 52 52 GLU HG2 H 1 1.97 0.03 . 2 . . . . . . . . 4282 1 638 . 1 1 52 52 GLU HG3 H 1 2.13 0.03 . 2 . . . . . . . . 4282 1 639 . 1 1 52 52 GLU C C 13 176.5 0.12 . 1 . . . . . . . . 4282 1 640 . 1 1 53 53 GLU N N 15 124.7 0.15 . 1 . . . . . . . . 4282 1 641 . 1 1 53 53 GLU H H 1 8.65 0.03 . 1 . . . . . . . . 4282 1 642 . 1 1 53 53 GLU CA C 13 54.8 0.12 . 1 . . . . . . . . 4282 1 643 . 1 1 53 53 GLU HA H 1 4.84 0.03 . 1 . . . . . . . . 4282 1 644 . 1 1 53 53 GLU CB C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 645 . 1 1 53 53 GLU HB2 H 1 1.52 0.03 . 2 . . . . . . . . 4282 1 646 . 1 1 53 53 GLU HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4282 1 647 . 1 1 53 53 GLU CG C 13 35.5 0.12 . 1 . . . . . . . . 4282 1 648 . 1 1 53 53 GLU HG2 H 1 2.42 0.03 . 2 . . . . . . . . 4282 1 649 . 1 1 53 53 GLU HG3 H 1 2.50 0.03 . 2 . . . . . . . . 4282 1 650 . 1 1 53 53 GLU C C 13 175.3 0.12 . 1 . . . . . . . . 4282 1 651 . 1 1 54 54 GLN N N 15 121.8 0.15 . 1 . . . . . . . . 4282 1 652 . 1 1 54 54 GLN H H 1 8.89 0.03 . 1 . . . . . . . . 4282 1 653 . 1 1 54 54 GLN CA C 13 54.9 0.12 . 1 . . . . . . . . 4282 1 654 . 1 1 54 54 GLN HA H 1 4.85 0.03 . 1 . . . . . . . . 4282 1 655 . 1 1 54 54 GLN CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 656 . 1 1 54 54 GLN HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4282 1 657 . 1 1 54 54 GLN HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4282 1 658 . 1 1 54 54 GLN CG C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 659 . 1 1 54 54 GLN HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4282 1 660 . 1 1 54 54 GLN HG3 H 1 2.58 0.03 . 2 . . . . . . . . 4282 1 661 . 1 1 54 54 GLN CD C 13 180.4 0.12 . 1 . . . . . . . . 4282 1 662 . 1 1 54 54 GLN NE2 N 15 111.3 0.15 . 1 . . . . . . . . 4282 1 663 . 1 1 54 54 GLN HE21 H 1 6.90 0.03 . 2 . . . . . . . . 4282 1 664 . 1 1 54 54 GLN HE22 H 1 7.54 0.03 . 2 . . . . . . . . 4282 1 665 . 1 1 54 54 GLN C C 13 174.6 0.12 . 1 . . . . . . . . 4282 1 666 . 1 1 55 55 ILE N N 15 127.5 0.15 . 1 . . . . . . . . 4282 1 667 . 1 1 55 55 ILE H H 1 10.00 0.03 . 1 . . . . . . . . 4282 1 668 . 1 1 55 55 ILE CA C 13 61.9 0.12 . 1 . . . . . . . . 4282 1 669 . 1 1 55 55 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 4282 1 670 . 1 1 55 55 ILE CB C 13 38.3 0.12 . 1 . . . . . . . . 4282 1 671 . 1 1 55 55 ILE HB H 1 1.93 0.03 . 1 . . . . . . . . 4282 1 672 . 1 1 55 55 ILE HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4282 1 673 . 1 1 55 55 ILE HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4282 1 674 . 1 1 55 55 ILE HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4282 1 675 . 1 1 55 55 ILE CG2 C 13 20.0 0.12 . 1 . . . . . . . . 4282 1 676 . 1 1 55 55 ILE CG1 C 13 28.6 0.12 . 1 . . . . . . . . 4282 1 677 . 1 1 55 55 ILE HG12 H 1 0.90 0.03 . 2 . . . . . . . . 4282 1 678 . 1 1 55 55 ILE HG13 H 1 1.64 0.03 . 2 . . . . . . . . 4282 1 679 . 1 1 55 55 ILE HD11 H 1 0.64 0.03 . 1 . . . . . . . . 4282 1 680 . 1 1 55 55 ILE HD12 H 1 0.64 0.03 . 1 . . . . . . . . 4282 1 681 . 1 1 55 55 ILE HD13 H 1 0.64 0.03 . 1 . . . . . . . . 4282 1 682 . 1 1 55 55 ILE CD1 C 13 13.9 0.12 . 1 . . . . . . . . 4282 1 683 . 1 1 55 55 ILE C C 13 174.6 0.12 . 1 . . . . . . . . 4282 1 684 . 1 1 56 56 HIS N N 15 128.4 0.15 . 1 . . . . . . . . 4282 1 685 . 1 1 56 56 HIS H H 1 9.78 0.03 . 1 . . . . . . . . 4282 1 686 . 1 1 56 56 HIS CA C 13 57.7 0.12 . 1 . . . . . . . . 4282 1 687 . 1 1 56 56 HIS HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 688 . 1 1 56 56 HIS CB C 13 34.8 0.12 . 1 . . . . . . . . 4282 1 689 . 1 1 56 56 HIS HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4282 1 690 . 1 1 56 56 HIS HB3 H 1 2.86 0.03 . 2 . . . . . . . . 4282 1 691 . 1 1 56 56 HIS CD2 C 13 118.7 0.12 . 1 . . . . . . . . 4282 1 692 . 1 1 56 56 HIS HD2 H 1 6.95 0.03 . 1 . . . . . . . . 4282 1 693 . 1 1 56 56 HIS C C 13 173.7 0.12 . 1 . . . . . . . . 4282 1 694 . 1 1 57 57 SER N N 15 106.0 0.15 . 1 . . . . . . . . 4282 1 695 . 1 1 57 57 SER H H 1 7.84 0.03 . 1 . . . . . . . . 4282 1 696 . 1 1 57 57 SER CA C 13 57.4 0.12 . 1 . . . . . . . . 4282 1 697 . 1 1 57 57 SER HA H 1 5.17 0.03 . 1 . . . . . . . . 4282 1 698 . 1 1 57 57 SER CB C 13 66.6 0.12 . 1 . . . . . . . . 4282 1 699 . 1 1 57 57 SER HB2 H 1 3.83 0.03 . 2 . . . . . . . . 4282 1 700 . 1 1 57 57 SER HB3 H 1 4.00 0.03 . 2 . . . . . . . . 4282 1 701 . 1 1 57 57 SER C C 13 172.8 0.12 . 1 . . . . . . . . 4282 1 702 . 1 1 58 58 VAL N N 15 119.4 0.15 . 1 . . . . . . . . 4282 1 703 . 1 1 58 58 VAL H H 1 8.79 0.03 . 1 . . . . . . . . 4282 1 704 . 1 1 58 58 VAL CA C 13 60.7 0.12 . 1 . . . . . . . . 4282 1 705 . 1 1 58 58 VAL HA H 1 4.97 0.03 . 1 . . . . . . . . 4282 1 706 . 1 1 58 58 VAL CB C 13 36.6 0.12 . 1 . . . . . . . . 4282 1 707 . 1 1 58 58 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 4282 1 708 . 1 1 58 58 VAL HG11 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 709 . 1 1 58 58 VAL HG12 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 710 . 1 1 58 58 VAL HG13 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 711 . 1 1 58 58 VAL HG21 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 712 . 1 1 58 58 VAL HG22 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 713 . 1 1 58 58 VAL HG23 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 714 . 1 1 58 58 VAL CG1 C 13 20.9 0.12 . 1 . . . . . . . . 4282 1 715 . 1 1 58 58 VAL CG2 C 13 22.2 0.12 . 1 . . . . . . . . 4282 1 716 . 1 1 58 58 VAL C C 13 172.9 0.12 . 1 . . . . . . . . 4282 1 717 . 1 1 59 59 ASP N N 15 127.3 0.15 . 1 . . . . . . . . 4282 1 718 . 1 1 59 59 ASP H H 1 9.43 0.03 . 1 . . . . . . . . 4282 1 719 . 1 1 59 59 ASP CA C 13 52.6 0.12 . 1 . . . . . . . . 4282 1 720 . 1 1 59 59 ASP HA H 1 5.62 0.03 . 1 . . . . . . . . 4282 1 721 . 1 1 59 59 ASP CB C 13 43.5 0.12 . 1 . . . . . . . . 4282 1 722 . 1 1 59 59 ASP HB2 H 1 2.69 0.03 . 2 . . . . . . . . 4282 1 723 . 1 1 59 59 ASP HB3 H 1 2.83 0.03 . 2 . . . . . . . . 4282 1 724 . 1 1 59 59 ASP C C 13 175.2 0.12 . 1 . . . . . . . . 4282 1 725 . 1 1 60 60 ILE N N 15 120.9 0.15 . 1 . . . . . . . . 4282 1 726 . 1 1 60 60 ILE H H 1 9.10 0.03 . 1 . . . . . . . . 4282 1 727 . 1 1 60 60 ILE CA C 13 60.6 0.12 . 1 . . . . . . . . 4282 1 728 . 1 1 60 60 ILE HA H 1 4.30 0.03 . 1 . . . . . . . . 4282 1 729 . 1 1 60 60 ILE CB C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 730 . 1 1 60 60 ILE HB H 1 2.03 0.03 . 1 . . . . . . . . 4282 1 731 . 1 1 60 60 ILE HG21 H 1 0.51 0.03 . 1 . . . . . . . . 4282 1 732 . 1 1 60 60 ILE HG22 H 1 0.51 0.03 . 1 . . . . . . . . 4282 1 733 . 1 1 60 60 ILE HG23 H 1 0.51 0.03 . 1 . . . . . . . . 4282 1 734 . 1 1 60 60 ILE CG2 C 13 19.2 0.12 . 1 . . . . . . . . 4282 1 735 . 1 1 60 60 ILE CG1 C 13 28.1 0.12 . 1 . . . . . . . . 4282 1 736 . 1 1 60 60 ILE HG12 H 1 1.00 0.03 . 2 . . . . . . . . 4282 1 737 . 1 1 60 60 ILE HG13 H 1 1.66 0.03 . 2 . . . . . . . . 4282 1 738 . 1 1 60 60 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 4282 1 739 . 1 1 60 60 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 4282 1 740 . 1 1 60 60 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 4282 1 741 . 1 1 60 60 ILE CD1 C 13 13.2 0.12 . 1 . . . . . . . . 4282 1 742 . 1 1 60 60 ILE C C 13 173.4 0.12 . 1 . . . . . . . . 4282 1 743 . 1 1 61 61 GLY N N 15 114.6 0.15 . 1 . . . . . . . . 4282 1 744 . 1 1 61 61 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 4282 1 745 . 1 1 61 61 GLY CA C 13 45.6 0.12 . 1 . . . . . . . . 4282 1 746 . 1 1 61 61 GLY HA2 H 1 2.41 0.03 . 2 . . . . . . . . 4282 1 747 . 1 1 61 61 GLY HA3 H 1 4.48 0.03 . 2 . . . . . . . . 4282 1 748 . 1 1 61 61 GLY C C 13 173.8 0.12 . 1 . . . . . . . . 4282 1 749 . 1 1 62 62 ASN N N 15 124.6 0.15 . 1 . . . . . . . . 4282 1 750 . 1 1 62 62 ASN H H 1 8.84 0.03 . 1 . . . . . . . . 4282 1 751 . 1 1 62 62 ASN CA C 13 52.6 0.12 . 1 . . . . . . . . 4282 1 752 . 1 1 62 62 ASN HA H 1 4.67 0.03 . 1 . . . . . . . . 4282 1 753 . 1 1 62 62 ASN CB C 13 40.5 0.12 . 1 . . . . . . . . 4282 1 754 . 1 1 62 62 ASN HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4282 1 755 . 1 1 62 62 ASN HB3 H 1 3.12 0.03 . 2 . . . . . . . . 4282 1 756 . 1 1 62 62 ASN C C 13 176.1 0.12 . 1 . . . . . . . . 4282 1 757 . 1 1 63 63 ASP N N 15 127.0 0.15 . 1 . . . . . . . . 4282 1 758 . 1 1 63 63 ASP H H 1 8.19 0.03 . 1 . . . . . . . . 4282 1 759 . 1 1 63 63 ASP CA C 13 54.9 0.12 . 1 . . . . . . . . 4282 1 760 . 1 1 63 63 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 761 . 1 1 63 63 ASP CB C 13 40.7 0.12 . 1 . . . . . . . . 4282 1 762 . 1 1 63 63 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4282 1 763 . 1 1 63 63 ASP HB3 H 1 2.76 0.03 . 2 . . . . . . . . 4282 1 764 . 1 1 63 63 ASP C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 765 . 1 1 64 64 GLY N N 15 108.1 0.15 . 1 . . . . . . . . 4282 1 766 . 1 1 64 64 GLY H H 1 9.18 0.03 . 1 . . . . . . . . 4282 1 767 . 1 1 64 64 GLY CA C 13 46.7 0.12 . 1 . . . . . . . . 4282 1 768 . 1 1 64 64 GLY HA2 H 1 3.82 0.03 . 2 . . . . . . . . 4282 1 769 . 1 1 64 64 GLY HA3 H 1 4.46 0.03 . 2 . . . . . . . . 4282 1 770 . 1 1 64 64 GLY C C 13 176.1 0.12 . 1 . . . . . . . . 4282 1 771 . 1 1 65 65 SER N N 15 118.9 0.15 . 1 . . . . . . . . 4282 1 772 . 1 1 65 65 SER H H 1 9.23 0.03 . 1 . . . . . . . . 4282 1 773 . 1 1 65 65 SER CA C 13 60.8 0.12 . 1 . . . . . . . . 4282 1 774 . 1 1 65 65 SER HA H 1 4.19 0.03 . 1 . . . . . . . . 4282 1 775 . 1 1 65 65 SER CB C 13 62.8 0.12 . 1 . . . . . . . . 4282 1 776 . 1 1 65 65 SER HB2 H 1 3.71 0.03 . 2 . . . . . . . . 4282 1 777 . 1 1 65 65 SER HB3 H 1 4.04 0.03 . 2 . . . . . . . . 4282 1 778 . 1 1 65 65 SER C C 13 173.7 0.12 . 1 . . . . . . . . 4282 1 779 . 1 1 66 66 ALA N N 15 125.0 0.15 . 1 . . . . . . . . 4282 1 780 . 1 1 66 66 ALA H H 1 8.53 0.03 . 1 . . . . . . . . 4282 1 781 . 1 1 66 66 ALA CA C 13 54.0 0.12 . 1 . . . . . . . . 4282 1 782 . 1 1 66 66 ALA HA H 1 4.46 0.03 . 1 . . . . . . . . 4282 1 783 . 1 1 66 66 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 784 . 1 1 66 66 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 785 . 1 1 66 66 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 786 . 1 1 66 66 ALA CB C 13 20.4 0.12 . 1 . . . . . . . . 4282 1 787 . 1 1 66 66 ALA C C 13 178.1 0.12 . 1 . . . . . . . . 4282 1 788 . 1 1 67 67 PHE N N 15 114.7 0.15 . 1 . . . . . . . . 4282 1 789 . 1 1 67 67 PHE H H 1 8.14 0.03 . 1 . . . . . . . . 4282 1 790 . 1 1 67 67 PHE CA C 13 55.7 0.12 . 1 . . . . . . . . 4282 1 791 . 1 1 67 67 PHE HA H 1 5.94 0.03 . 1 . . . . . . . . 4282 1 792 . 1 1 67 67 PHE CB C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 793 . 1 1 67 67 PHE HB2 H 1 2.81 0.03 . 2 . . . . . . . . 4282 1 794 . 1 1 67 67 PHE HB3 H 1 3.11 0.03 . 2 . . . . . . . . 4282 1 795 . 1 1 67 67 PHE HD1 H 1 6.95 0.03 . 1 . . . . . . . . 4282 1 796 . 1 1 67 67 PHE HD2 H 1 6.95 0.03 . 1 . . . . . . . . 4282 1 797 . 1 1 67 67 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 4282 1 798 . 1 1 67 67 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 4282 1 799 . 1 1 67 67 PHE CD1 C 13 132.2 0.12 . 1 . . . . . . . . 4282 1 800 . 1 1 67 67 PHE CE1 C 13 128.9 0.12 . 1 . . . . . . . . 4282 1 801 . 1 1 67 67 PHE CZ C 13 130.7 0.12 . 1 . . . . . . . . 4282 1 802 . 1 1 67 67 PHE HZ H 1 7.52 0.03 . 1 . . . . . . . . 4282 1 803 . 1 1 67 67 PHE CE2 C 13 128.9 0.12 . 1 . . . . . . . . 4282 1 804 . 1 1 67 67 PHE CD2 C 13 132.2 0.12 . 1 . . . . . . . . 4282 1 805 . 1 1 67 67 PHE C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 806 . 1 1 68 68 VAL N N 15 119.4 0.15 . 1 . . . . . . . . 4282 1 807 . 1 1 68 68 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 4282 1 808 . 1 1 68 68 VAL CA C 13 61.8 0.12 . 1 . . . . . . . . 4282 1 809 . 1 1 68 68 VAL HA H 1 5.11 0.03 . 1 . . . . . . . . 4282 1 810 . 1 1 68 68 VAL CB C 13 36.5 0.12 . 1 . . . . . . . . 4282 1 811 . 1 1 68 68 VAL HB H 1 1.77 0.03 . 1 . . . . . . . . 4282 1 812 . 1 1 68 68 VAL HG11 H 1 0.46 0.03 . 2 . . . . . . . . 4282 1 813 . 1 1 68 68 VAL HG12 H 1 0.46 0.03 . 2 . . . . . . . . 4282 1 814 . 1 1 68 68 VAL HG13 H 1 0.46 0.03 . 2 . . . . . . . . 4282 1 815 . 1 1 68 68 VAL HG21 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 816 . 1 1 68 68 VAL HG22 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 817 . 1 1 68 68 VAL HG23 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 818 . 1 1 68 68 VAL CG1 C 13 22.1 0.12 . 1 . . . . . . . . 4282 1 819 . 1 1 68 68 VAL CG2 C 13 22.2 0.12 . 1 . . . . . . . . 4282 1 820 . 1 1 68 68 VAL C C 13 173.1 0.12 . 1 . . . . . . . . 4282 1 821 . 1 1 69 69 GLU N N 15 129.0 0.15 . 1 . . . . . . . . 4282 1 822 . 1 1 69 69 GLU H H 1 8.96 0.03 . 1 . . . . . . . . 4282 1 823 . 1 1 69 69 GLU CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 824 . 1 1 69 69 GLU HA H 1 4.68 0.03 . 1 . . . . . . . . 4282 1 825 . 1 1 69 69 GLU CB C 13 35.2 0.12 . 1 . . . . . . . . 4282 1 826 . 1 1 69 69 GLU HB2 H 1 2.03 0.03 . 1 . . . . . . . . 4282 1 827 . 1 1 69 69 GLU HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4282 1 828 . 1 1 69 69 GLU CG C 13 36.6 0.12 . 1 . . . . . . . . 4282 1 829 . 1 1 69 69 GLU HG2 H 1 2.00 0.03 . 2 . . . . . . . . 4282 1 830 . 1 1 69 69 GLU HG3 H 1 2.55 0.03 . 2 . . . . . . . . 4282 1 831 . 1 1 69 69 GLU C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 832 . 1 1 70 70 VAL N N 15 121.7 0.15 . 1 . . . . . . . . 4282 1 833 . 1 1 70 70 VAL H H 1 8.65 0.03 . 1 . . . . . . . . 4282 1 834 . 1 1 70 70 VAL CA C 13 61.5 0.12 . 1 . . . . . . . . 4282 1 835 . 1 1 70 70 VAL HA H 1 5.19 0.03 . 1 . . . . . . . . 4282 1 836 . 1 1 70 70 VAL CB C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 837 . 1 1 70 70 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 4282 1 838 . 1 1 70 70 VAL HG11 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 839 . 1 1 70 70 VAL HG12 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 840 . 1 1 70 70 VAL HG13 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 841 . 1 1 70 70 VAL HG21 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 842 . 1 1 70 70 VAL HG22 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 843 . 1 1 70 70 VAL HG23 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 844 . 1 1 70 70 VAL CG1 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 845 . 1 1 70 70 VAL CG2 C 13 22.5 0.12 . 1 . . . . . . . . 4282 1 846 . 1 1 70 70 VAL C C 13 174.4 0.12 . 1 . . . . . . . . 4282 1 847 . 1 1 71 71 LEU N N 15 129.8 0.15 . 1 . . . . . . . . 4282 1 848 . 1 1 71 71 LEU H H 1 10.07 0.03 . 1 . . . . . . . . 4282 1 849 . 1 1 71 71 LEU CA C 13 54.7 0.12 . 1 . . . . . . . . 4282 1 850 . 1 1 71 71 LEU HA H 1 5.24 0.03 . 1 . . . . . . . . 4282 1 851 . 1 1 71 71 LEU CB C 13 45.6 0.12 . 1 . . . . . . . . 4282 1 852 . 1 1 71 71 LEU HB2 H 1 1.31 0.03 . 2 . . . . . . . . 4282 1 853 . 1 1 71 71 LEU HB3 H 1 1.71 0.03 . 2 . . . . . . . . 4282 1 854 . 1 1 71 71 LEU CG C 13 29.3 0.12 . 1 . . . . . . . . 4282 1 855 . 1 1 71 71 LEU HG H 1 1.43 0.03 . 1 . . . . . . . . 4282 1 856 . 1 1 71 71 LEU HD11 H 1 0.69 0.03 . 2 . . . . . . . . 4282 1 857 . 1 1 71 71 LEU HD12 H 1 0.69 0.03 . 2 . . . . . . . . 4282 1 858 . 1 1 71 71 LEU HD13 H 1 0.69 0.03 . 2 . . . . . . . . 4282 1 859 . 1 1 71 71 LEU HD21 H 1 0.68 0.03 . 2 . . . . . . . . 4282 1 860 . 1 1 71 71 LEU HD22 H 1 0.68 0.03 . 2 . . . . . . . . 4282 1 861 . 1 1 71 71 LEU HD23 H 1 0.68 0.03 . 2 . . . . . . . . 4282 1 862 . 1 1 71 71 LEU CD1 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 863 . 1 1 71 71 LEU CD2 C 13 27.5 0.12 . 1 . . . . . . . . 4282 1 864 . 1 1 71 71 LEU C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 865 . 1 1 72 72 VAL N N 15 112.9 0.15 . 1 . . . . . . . . 4282 1 866 . 1 1 72 72 VAL H H 1 9.15 0.03 . 1 . . . . . . . . 4282 1 867 . 1 1 72 72 VAL CA C 13 58.4 0.12 . 1 . . . . . . . . 4282 1 868 . 1 1 72 72 VAL HA H 1 4.98 0.03 . 1 . . . . . . . . 4282 1 869 . 1 1 72 72 VAL CB C 13 36.6 0.12 . 1 . . . . . . . . 4282 1 870 . 1 1 72 72 VAL HB H 1 1.01 0.03 . 1 . . . . . . . . 4282 1 871 . 1 1 72 72 VAL HG11 H 1 -0.66 0.03 . 2 . . . . . . . . 4282 1 872 . 1 1 72 72 VAL HG12 H 1 -0.66 0.03 . 2 . . . . . . . . 4282 1 873 . 1 1 72 72 VAL HG13 H 1 -0.66 0.03 . 2 . . . . . . . . 4282 1 874 . 1 1 72 72 VAL HG21 H 1 0.52 0.03 . 2 . . . . . . . . 4282 1 875 . 1 1 72 72 VAL HG22 H 1 0.52 0.03 . 2 . . . . . . . . 4282 1 876 . 1 1 72 72 VAL HG23 H 1 0.52 0.03 . 2 . . . . . . . . 4282 1 877 . 1 1 72 72 VAL CG1 C 13 17.0 0.12 . 1 . . . . . . . . 4282 1 878 . 1 1 72 72 VAL CG2 C 13 24.8 0.12 . 1 . . . . . . . . 4282 1 879 . 1 1 72 72 VAL C C 13 174.0 0.12 . 1 . . . . . . . . 4282 1 880 . 1 1 73 73 GLY N N 15 106.7 0.15 . 1 . . . . . . . . 4282 1 881 . 1 1 73 73 GLY H H 1 8.28 0.03 . 1 . . . . . . . . 4282 1 882 . 1 1 73 73 GLY CA C 13 44.7 0.12 . 1 . . . . . . . . 4282 1 883 . 1 1 73 73 GLY HA2 H 1 2.79 0.03 . 2 . . . . . . . . 4282 1 884 . 1 1 73 73 GLY HA3 H 1 4.34 0.03 . 2 . . . . . . . . 4282 1 885 . 1 1 73 73 GLY C C 13 172.2 0.12 . 1 . . . . . . . . 4282 1 886 . 1 1 74 74 SER N N 15 113.5 0.15 . 1 . . . . . . . . 4282 1 887 . 1 1 74 74 SER H H 1 8.62 0.03 . 1 . . . . . . . . 4282 1 888 . 1 1 74 74 SER CA C 13 55.2 0.12 . 1 . . . . . . . . 4282 1 889 . 1 1 74 74 SER HA H 1 5.64 0.03 . 1 . . . . . . . . 4282 1 890 . 1 1 74 74 SER CB C 13 65.2 0.12 . 1 . . . . . . . . 4282 1 891 . 1 1 74 74 SER HB2 H 1 3.80 0.03 . 2 . . . . . . . . 4282 1 892 . 1 1 74 74 SER HB3 H 1 3.97 0.03 . 2 . . . . . . . . 4282 1 893 . 1 1 74 74 SER C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 894 . 1 1 75 75 SER N N 15 127.0 0.15 . 1 . . . . . . . . 4282 1 895 . 1 1 75 75 SER H H 1 11.03 0.03 . 1 . . . . . . . . 4282 1 896 . 1 1 75 75 SER CA C 13 60.6 0.12 . 1 . . . . . . . . 4282 1 897 . 1 1 75 75 SER HA H 1 3.97 0.03 . 1 . . . . . . . . 4282 1 898 . 1 1 75 75 SER CB C 13 62.2 0.12 . 1 . . . . . . . . 4282 1 899 . 1 1 75 75 SER HB2 H 1 3.98 0.03 . 1 . . . . . . . . 4282 1 900 . 1 1 75 75 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 4282 1 901 . 1 1 75 75 SER C C 13 175.5 0.12 . 1 . . . . . . . . 4282 1 902 . 1 1 76 76 ALA N N 15 125.7 0.15 . 1 . . . . . . . . 4282 1 903 . 1 1 76 76 ALA H H 1 8.18 0.03 . 1 . . . . . . . . 4282 1 904 . 1 1 76 76 ALA CA C 13 52.9 0.12 . 1 . . . . . . . . 4282 1 905 . 1 1 76 76 ALA HA H 1 4.38 0.03 . 1 . . . . . . . . 4282 1 906 . 1 1 76 76 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 4282 1 907 . 1 1 76 76 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 4282 1 908 . 1 1 76 76 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 4282 1 909 . 1 1 76 76 ALA CB C 13 18.9 0.12 . 1 . . . . . . . . 4282 1 910 . 1 1 76 76 ALA C C 13 178.4 0.12 . 1 . . . . . . . . 4282 1 911 . 1 1 77 77 GLY N N 15 107.2 0.15 . 1 . . . . . . . . 4282 1 912 . 1 1 77 77 GLY H H 1 8.02 0.03 . 1 . . . . . . . . 4282 1 913 . 1 1 77 77 GLY CA C 13 45.4 0.12 . 1 . . . . . . . . 4282 1 914 . 1 1 77 77 GLY HA2 H 1 3.94 0.03 . 2 . . . . . . . . 4282 1 915 . 1 1 77 77 GLY HA3 H 1 4.07 0.03 . 2 . . . . . . . . 4282 1 916 . 1 1 77 77 GLY C C 13 174.9 0.12 . 1 . . . . . . . . 4282 1 917 . 1 1 78 78 GLY N N 15 108.8 0.15 . 1 . . . . . . . . 4282 1 918 . 1 1 78 78 GLY H H 1 8.22 0.03 . 1 . . . . . . . . 4282 1 919 . 1 1 78 78 GLY CA C 13 45.3 0.12 . 1 . . . . . . . . 4282 1 920 . 1 1 78 78 GLY HA2 H 1 3.98 0.03 . 1 . . . . . . . . 4282 1 921 . 1 1 78 78 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . 4282 1 922 . 1 1 78 78 GLY C C 13 174.2 0.12 . 1 . . . . . . . . 4282 1 923 . 1 1 79 79 ALA N N 15 123.8 0.15 . 1 . . . . . . . . 4282 1 924 . 1 1 79 79 ALA H H 1 8.39 0.03 . 1 . . . . . . . . 4282 1 925 . 1 1 79 79 ALA CA C 13 52.3 0.12 . 1 . . . . . . . . 4282 1 926 . 1 1 79 79 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 4282 1 927 . 1 1 79 79 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 928 . 1 1 79 79 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 929 . 1 1 79 79 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 930 . 1 1 79 79 ALA CB C 13 19.1 0.12 . 1 . . . . . . . . 4282 1 931 . 1 1 79 79 ALA C C 13 178.5 0.12 . 1 . . . . . . . . 4282 1 932 . 1 1 80 80 GLY N N 15 109.3 0.15 . 1 . . . . . . . . 4282 1 933 . 1 1 80 80 GLY H H 1 8.65 0.03 . 1 . . . . . . . . 4282 1 934 . 1 1 80 80 GLY CA C 13 45.2 0.12 . 1 . . . . . . . . 4282 1 935 . 1 1 80 80 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 4282 1 936 . 1 1 80 80 GLY HA3 H 1 4.05 0.03 . 2 . . . . . . . . 4282 1 937 . 1 1 80 80 GLY C C 13 174.8 0.12 . 1 . . . . . . . . 4282 1 938 . 1 1 81 81 GLU N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 939 . 1 1 81 81 GLU H H 1 8.37 0.03 . 1 . . . . . . . . 4282 1 940 . 1 1 81 81 GLU CA C 13 57.5 0.12 . 1 . . . . . . . . 4282 1 941 . 1 1 81 81 GLU HA H 1 4.05 0.03 . 1 . . . . . . . . 4282 1 942 . 1 1 81 81 GLU CB C 13 29.5 0.12 . 1 . . . . . . . . 4282 1 943 . 1 1 81 81 GLU HB2 H 1 1.84 0.03 . 2 . . . . . . . . 4282 1 944 . 1 1 81 81 GLU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4282 1 945 . 1 1 81 81 GLU CG C 13 36.4 0.12 . 1 . . . . . . . . 4282 1 946 . 1 1 81 81 GLU HG2 H 1 2.07 0.03 . 2 . . . . . . . . 4282 1 947 . 1 1 81 81 GLU HG3 H 1 2.14 0.03 . 2 . . . . . . . . 4282 1 948 . 1 1 81 81 GLU C C 13 177.4 0.12 . 1 . . . . . . . . 4282 1 949 . 1 1 82 82 GLN N N 15 118.7 0.15 . 1 . . . . . . . . 4282 1 950 . 1 1 82 82 GLN H H 1 8.41 0.03 . 1 . . . . . . . . 4282 1 951 . 1 1 82 82 GLN CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 952 . 1 1 82 82 GLN HA H 1 4.31 0.03 . 1 . . . . . . . . 4282 1 953 . 1 1 82 82 GLN CB C 13 28.6 0.12 . 1 . . . . . . . . 4282 1 954 . 1 1 82 82 GLN HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4282 1 955 . 1 1 82 82 GLN HB3 H 1 2.16 0.03 . 2 . . . . . . . . 4282 1 956 . 1 1 82 82 GLN CG C 13 33.8 0.12 . 1 . . . . . . . . 4282 1 957 . 1 1 82 82 GLN HG2 H 1 2.32 0.03 . 1 . . . . . . . . 4282 1 958 . 1 1 82 82 GLN HG3 H 1 2.32 0.03 . 1 . . . . . . . . 4282 1 959 . 1 1 82 82 GLN CD C 13 180.8 0.12 . 1 . . . . . . . . 4282 1 960 . 1 1 82 82 GLN NE2 N 15 112.9 0.15 . 1 . . . . . . . . 4282 1 961 . 1 1 82 82 GLN HE21 H 1 6.83 0.03 . 2 . . . . . . . . 4282 1 962 . 1 1 82 82 GLN HE22 H 1 7.53 0.03 . 2 . . . . . . . . 4282 1 963 . 1 1 82 82 GLN C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 964 . 1 1 83 83 ASP N N 15 120.5 0.15 . 1 . . . . . . . . 4282 1 965 . 1 1 83 83 ASP H H 1 8.07 0.03 . 1 . . . . . . . . 4282 1 966 . 1 1 83 83 ASP CA C 13 54.3 0.12 . 1 . . . . . . . . 4282 1 967 . 1 1 83 83 ASP HA H 1 4.74 0.03 . 1 . . . . . . . . 4282 1 968 . 1 1 83 83 ASP CB C 13 41.4 0.12 . 1 . . . . . . . . 4282 1 969 . 1 1 83 83 ASP HB2 H 1 2.56 0.03 . 2 . . . . . . . . 4282 1 970 . 1 1 83 83 ASP HB3 H 1 2.72 0.03 . 2 . . . . . . . . 4282 1 971 . 1 1 83 83 ASP C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 972 . 1 1 84 84 TYR N N 15 120.5 0.15 . 1 . . . . . . . . 4282 1 973 . 1 1 84 84 TYR H H 1 7.77 0.03 . 1 . . . . . . . . 4282 1 974 . 1 1 84 84 TYR CA C 13 57.6 0.12 . 1 . . . . . . . . 4282 1 975 . 1 1 84 84 TYR HA H 1 4.80 0.03 . 1 . . . . . . . . 4282 1 976 . 1 1 84 84 TYR CB C 13 41.1 0.12 . 1 . . . . . . . . 4282 1 977 . 1 1 84 84 TYR HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4282 1 978 . 1 1 84 84 TYR HB3 H 1 2.68 0.03 . 2 . . . . . . . . 4282 1 979 . 1 1 84 84 TYR HD1 H 1 6.70 0.03 . 1 . . . . . . . . 4282 1 980 . 1 1 84 84 TYR HD2 H 1 6.70 0.03 . 1 . . . . . . . . 4282 1 981 . 1 1 84 84 TYR HE1 H 1 6.40 0.03 . 1 . . . . . . . . 4282 1 982 . 1 1 84 84 TYR HE2 H 1 6.40 0.03 . 1 . . . . . . . . 4282 1 983 . 1 1 84 84 TYR CD1 C 13 132.3 0.12 . 1 . . . . . . . . 4282 1 984 . 1 1 84 84 TYR CE1 C 13 117.2 0.12 . 1 . . . . . . . . 4282 1 985 . 1 1 84 84 TYR CE2 C 13 117.2 0.12 . 1 . . . . . . . . 4282 1 986 . 1 1 84 84 TYR CD2 C 13 132.3 0.12 . 1 . . . . . . . . 4282 1 987 . 1 1 84 84 TYR C C 13 175.9 0.12 . 1 . . . . . . . . 4282 1 988 . 1 1 85 85 GLU N N 15 120.8 0.15 . 1 . . . . . . . . 4282 1 989 . 1 1 85 85 GLU H H 1 8.95 0.03 . 1 . . . . . . . . 4282 1 990 . 1 1 85 85 GLU CA C 13 54.3 0.12 . 1 . . . . . . . . 4282 1 991 . 1 1 85 85 GLU HA H 1 4.64 0.03 . 1 . . . . . . . . 4282 1 992 . 1 1 85 85 GLU CB C 13 32.4 0.12 . 1 . . . . . . . . 4282 1 993 . 1 1 85 85 GLU HB2 H 1 1.46 0.03 . 2 . . . . . . . . 4282 1 994 . 1 1 85 85 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4282 1 995 . 1 1 85 85 GLU CG C 13 36.3 0.12 . 1 . . . . . . . . 4282 1 996 . 1 1 85 85 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 4282 1 997 . 1 1 85 85 GLU HG3 H 1 2.29 0.03 . 2 . . . . . . . . 4282 1 998 . 1 1 85 85 GLU C C 13 175.8 0.12 . 1 . . . . . . . . 4282 1 999 . 1 1 86 86 VAL N N 15 123.3 0.15 . 1 . . . . . . . . 4282 1 1000 . 1 1 86 86 VAL H H 1 8.48 0.03 . 1 . . . . . . . . 4282 1 1001 . 1 1 86 86 VAL CA C 13 65.4 0.12 . 1 . . . . . . . . 4282 1 1002 . 1 1 86 86 VAL HA H 1 3.58 0.03 . 1 . . . . . . . . 4282 1 1003 . 1 1 86 86 VAL CB C 13 32.1 0.12 . 1 . . . . . . . . 4282 1 1004 . 1 1 86 86 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 4282 1 1005 . 1 1 86 86 VAL HG11 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1006 . 1 1 86 86 VAL HG12 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1007 . 1 1 86 86 VAL HG13 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1008 . 1 1 86 86 VAL HG21 H 1 1.01 0.03 . 2 . . . . . . . . 4282 1 1009 . 1 1 86 86 VAL HG22 H 1 1.01 0.03 . 2 . . . . . . . . 4282 1 1010 . 1 1 86 86 VAL HG23 H 1 1.01 0.03 . 2 . . . . . . . . 4282 1 1011 . 1 1 86 86 VAL CG1 C 13 21.7 0.12 . 1 . . . . . . . . 4282 1 1012 . 1 1 86 86 VAL CG2 C 13 22.2 0.12 . 1 . . . . . . . . 4282 1 1013 . 1 1 86 86 VAL C C 13 173.8 0.12 . 1 . . . . . . . . 4282 1 1014 . 1 1 87 87 LEU N N 15 126.7 0.15 . 1 . . . . . . . . 4282 1 1015 . 1 1 87 87 LEU H H 1 8.77 0.03 . 1 . . . . . . . . 4282 1 1016 . 1 1 87 87 LEU CA C 13 55.3 0.12 . 1 . . . . . . . . 4282 1 1017 . 1 1 87 87 LEU HA H 1 4.54 0.03 . 1 . . . . . . . . 4282 1 1018 . 1 1 87 87 LEU CB C 13 45.6 0.12 . 1 . . . . . . . . 4282 1 1019 . 1 1 87 87 LEU HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4282 1 1020 . 1 1 87 87 LEU HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4282 1 1021 . 1 1 87 87 LEU CG C 13 27.0 0.12 . 1 . . . . . . . . 4282 1 1022 . 1 1 87 87 LEU HG H 1 1.63 0.03 . 1 . . . . . . . . 4282 1 1023 . 1 1 87 87 LEU HD11 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 1024 . 1 1 87 87 LEU HD12 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 1025 . 1 1 87 87 LEU HD13 H 1 0.80 0.03 . 2 . . . . . . . . 4282 1 1026 . 1 1 87 87 LEU HD21 H 1 0.96 0.03 . 2 . . . . . . . . 4282 1 1027 . 1 1 87 87 LEU HD22 H 1 0.96 0.03 . 2 . . . . . . . . 4282 1 1028 . 1 1 87 87 LEU HD23 H 1 0.96 0.03 . 2 . . . . . . . . 4282 1 1029 . 1 1 87 87 LEU CD1 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 1030 . 1 1 87 87 LEU CD2 C 13 23.6 0.12 . 1 . . . . . . . . 4282 1 1031 . 1 1 87 87 LEU C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 1032 . 1 1 88 88 LEU N N 15 121.2 0.15 . 1 . . . . . . . . 4282 1 1033 . 1 1 88 88 LEU H H 1 8.42 0.03 . 1 . . . . . . . . 4282 1 1034 . 1 1 88 88 LEU CA C 13 53.2 0.12 . 1 . . . . . . . . 4282 1 1035 . 1 1 88 88 LEU HA H 1 4.84 0.03 . 1 . . . . . . . . 4282 1 1036 . 1 1 88 88 LEU CB C 13 46.3 0.12 . 1 . . . . . . . . 4282 1 1037 . 1 1 88 88 LEU HB2 H 1 0.69 0.03 . 2 . . . . . . . . 4282 1 1038 . 1 1 88 88 LEU HB3 H 1 1.63 0.03 . 2 . . . . . . . . 4282 1 1039 . 1 1 88 88 LEU CG C 13 26.2 0.12 . 1 . . . . . . . . 4282 1 1040 . 1 1 88 88 LEU HG H 1 1.45 0.03 . 1 . . . . . . . . 4282 1 1041 . 1 1 88 88 LEU HD11 H 1 -0.08 0.03 . 2 . . . . . . . . 4282 1 1042 . 1 1 88 88 LEU HD12 H 1 -0.08 0.03 . 2 . . . . . . . . 4282 1 1043 . 1 1 88 88 LEU HD13 H 1 -0.08 0.03 . 2 . . . . . . . . 4282 1 1044 . 1 1 88 88 LEU HD21 H 1 0.40 0.03 . 2 . . . . . . . . 4282 1 1045 . 1 1 88 88 LEU HD22 H 1 0.40 0.03 . 2 . . . . . . . . 4282 1 1046 . 1 1 88 88 LEU HD23 H 1 0.40 0.03 . 2 . . . . . . . . 4282 1 1047 . 1 1 88 88 LEU CD1 C 13 25.2 0.12 . 1 . . . . . . . . 4282 1 1048 . 1 1 88 88 LEU CD2 C 13 23.4 0.12 . 1 . . . . . . . . 4282 1 1049 . 1 1 88 88 LEU C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 1050 . 1 1 89 89 VAL N N 15 123.3 0.15 . 1 . . . . . . . . 4282 1 1051 . 1 1 89 89 VAL H H 1 8.14 0.03 . 1 . . . . . . . . 4282 1 1052 . 1 1 89 89 VAL CA C 13 61.9 0.12 . 1 . . . . . . . . 4282 1 1053 . 1 1 89 89 VAL HA H 1 4.02 0.03 . 1 . . . . . . . . 4282 1 1054 . 1 1 89 89 VAL CB C 13 32.4 0.12 . 1 . . . . . . . . 4282 1 1055 . 1 1 89 89 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 4282 1 1056 . 1 1 89 89 VAL HG11 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 1057 . 1 1 89 89 VAL HG12 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 1058 . 1 1 89 89 VAL HG13 H 1 0.92 0.03 . 2 . . . . . . . . 4282 1 1059 . 1 1 89 89 VAL HG21 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 1060 . 1 1 89 89 VAL HG22 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 1061 . 1 1 89 89 VAL HG23 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 1062 . 1 1 89 89 VAL CG1 C 13 20.2 0.12 . 1 . . . . . . . . 4282 1 1063 . 1 1 89 89 VAL CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 1064 . 1 1 89 89 VAL C C 13 174.7 0.12 . 1 . . . . . . . . 4282 1 1065 . 1 1 90 90 THR N N 15 117.2 0.15 . 1 . . . . . . . . 4282 1 1066 . 1 1 90 90 THR H H 1 8.05 0.03 . 1 . . . . . . . . 4282 1 1067 . 1 1 90 90 THR CA C 13 65.6 0.12 . 1 . . . . . . . . 4282 1 1068 . 1 1 90 90 THR HA H 1 3.88 0.03 . 1 . . . . . . . . 4282 1 1069 . 1 1 90 90 THR CB C 13 69.4 0.12 . 1 . . . . . . . . 4282 1 1070 . 1 1 90 90 THR HB H 1 3.80 0.03 . 1 . . . . . . . . 4282 1 1071 . 1 1 90 90 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4282 1 1072 . 1 1 90 90 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4282 1 1073 . 1 1 90 90 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4282 1 1074 . 1 1 90 90 THR CG2 C 13 22.2 0.12 . 1 . . . . . . . . 4282 1 1075 . 1 1 90 90 THR C C 13 175.2 0.12 . 1 . . . . . . . . 4282 1 1076 . 1 1 91 91 SER N N 15 125.8 0.15 . 1 . . . . . . . . 4282 1 1077 . 1 1 91 91 SER H H 1 9.24 0.03 . 1 . . . . . . . . 4282 1 1078 . 1 1 91 91 SER CA C 13 58.7 0.12 . 1 . . . . . . . . 4282 1 1079 . 1 1 91 91 SER HA H 1 5.06 0.03 . 1 . . . . . . . . 4282 1 1080 . 1 1 91 91 SER CB C 13 66.7 0.12 . 1 . . . . . . . . 4282 1 1081 . 1 1 91 91 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 4282 1 1082 . 1 1 91 91 SER HB3 H 1 3.94 0.03 . 2 . . . . . . . . 4282 1 1083 . 1 1 91 91 SER C C 13 173.8 0.12 . 1 . . . . . . . . 4282 1 1084 . 1 1 92 92 SER N N 15 119.3 0.15 . 1 . . . . . . . . 4282 1 1085 . 1 1 92 92 SER H H 1 8.96 0.03 . 1 . . . . . . . . 4282 1 1086 . 1 1 92 92 SER CA C 13 58.6 0.12 . 1 . . . . . . . . 4282 1 1087 . 1 1 92 92 SER HA H 1 4.96 0.03 . 1 . . . . . . . . 4282 1 1088 . 1 1 92 92 SER CB C 13 64.2 0.12 . 1 . . . . . . . . 4282 1 1089 . 1 1 92 92 SER HB2 H 1 3.82 0.03 . 2 . . . . . . . . 4282 1 1090 . 1 1 92 92 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 4282 1 1091 . 1 1 92 92 SER C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 1092 . 1 1 93 93 PHE N N 15 125.1 0.15 . 1 . . . . . . . . 4282 1 1093 . 1 1 93 93 PHE H H 1 9.19 0.03 . 1 . . . . . . . . 4282 1 1094 . 1 1 93 93 PHE CA C 13 59.1 0.12 . 1 . . . . . . . . 4282 1 1095 . 1 1 93 93 PHE HA H 1 4.36 0.03 . 1 . . . . . . . . 4282 1 1096 . 1 1 93 93 PHE CB C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 1097 . 1 1 93 93 PHE HB2 H 1 2.58 0.03 . 2 . . . . . . . . 4282 1 1098 . 1 1 93 93 PHE HB3 H 1 3.03 0.03 . 2 . . . . . . . . 4282 1 1099 . 1 1 93 93 PHE HD1 H 1 7.24 0.03 . 1 . . . . . . . . 4282 1 1100 . 1 1 93 93 PHE HD2 H 1 7.24 0.03 . 1 . . . . . . . . 4282 1 1101 . 1 1 93 93 PHE C C 13 176.4 0.12 . 1 . . . . . . . . 4282 1 1102 . 1 1 94 94 MET N N 15 119.8 0.15 . 1 . . . . . . . . 4282 1 1103 . 1 1 94 94 MET H H 1 7.71 0.03 . 1 . . . . . . . . 4282 1 1104 . 1 1 94 94 MET CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 1105 . 1 1 94 94 MET HA H 1 4.58 0.03 . 1 . . . . . . . . 4282 1 1106 . 1 1 94 94 MET CB C 13 40.5 0.12 . 1 . . . . . . . . 4282 1 1107 . 1 1 94 94 MET HB2 H 1 1.56 0.03 . 2 . . . . . . . . 4282 1 1108 . 1 1 94 94 MET HB3 H 1 2.27 0.03 . 2 . . . . . . . . 4282 1 1109 . 1 1 94 94 MET CG C 13 32.6 0.12 . 1 . . . . . . . . 4282 1 1110 . 1 1 94 94 MET HG2 H 1 2.35 0.03 . 2 . . . . . . . . 4282 1 1111 . 1 1 94 94 MET HG3 H 1 2.42 0.03 . 2 . . . . . . . . 4282 1 1112 . 1 1 94 94 MET C C 13 174.6 0.12 . 1 . . . . . . . . 4282 1 1113 . 1 1 95 95 SER N N 15 120.3 0.15 . 1 . . . . . . . . 4282 1 1114 . 1 1 95 95 SER H H 1 9.57 0.03 . 1 . . . . . . . . 4282 1 1115 . 1 1 95 95 SER CA C 13 56.6 0.12 . 1 . . . . . . . . 4282 1 1116 . 1 1 95 95 SER HA H 1 4.76 0.03 . 1 . . . . . . . . 4282 1 1117 . 1 1 95 95 SER CB C 13 63.0 0.12 . 1 . . . . . . . . 4282 1 1118 . 1 1 95 95 SER HB2 H 1 3.87 0.03 . 2 . . . . . . . . 4282 1 1119 . 1 1 95 95 SER HB3 H 1 4.41 0.03 . 2 . . . . . . . . 4282 1 1120 . 1 1 96 96 PRO CA C 13 66.8 0.12 . 1 . . . . . . . . 4282 1 1121 . 1 1 96 96 PRO HA H 1 3.34 0.03 . 1 . . . . . . . . 4282 1 1122 . 1 1 96 96 PRO CB C 13 31.9 0.12 . 1 . . . . . . . . 4282 1 1123 . 1 1 96 96 PRO C C 13 178.4 0.12 . 1 . . . . . . . . 4282 1 1124 . 1 1 97 97 SER N N 15 111.4 0.15 . 1 . . . . . . . . 4282 1 1125 . 1 1 97 97 SER H H 1 7.95 0.03 . 1 . . . . . . . . 4282 1 1126 . 1 1 97 97 SER CA C 13 61.6 0.12 . 1 . . . . . . . . 4282 1 1127 . 1 1 97 97 SER HA H 1 4.02 0.03 . 1 . . . . . . . . 4282 1 1128 . 1 1 97 97 SER CB C 13 62.2 0.12 . 1 . . . . . . . . 4282 1 1129 . 1 1 97 97 SER HB2 H 1 3.79 0.03 . 1 . . . . . . . . 4282 1 1130 . 1 1 97 97 SER HB3 H 1 3.79 0.03 . 1 . . . . . . . . 4282 1 1131 . 1 1 97 97 SER C C 13 178.7 0.12 . 1 . . . . . . . . 4282 1 1132 . 1 1 98 98 GLU N N 15 124.0 0.15 . 1 . . . . . . . . 4282 1 1133 . 1 1 98 98 GLU H H 1 7.92 0.03 . 1 . . . . . . . . 4282 1 1134 . 1 1 98 98 GLU CA C 13 58.9 0.12 . 1 . . . . . . . . 4282 1 1135 . 1 1 98 98 GLU HA H 1 3.71 0.03 . 1 . . . . . . . . 4282 1 1136 . 1 1 98 98 GLU CB C 13 29.0 0.12 . 1 . . . . . . . . 4282 1 1137 . 1 1 98 98 GLU HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4282 1 1138 . 1 1 98 98 GLU HB3 H 1 2.14 0.03 . 2 . . . . . . . . 4282 1 1139 . 1 1 98 98 GLU CG C 13 37.3 0.12 . 1 . . . . . . . . 4282 1 1140 . 1 1 98 98 GLU HG2 H 1 2.35 0.03 . 2 . . . . . . . . 4282 1 1141 . 1 1 98 98 GLU HG3 H 1 2.42 0.03 . 2 . . . . . . . . 4282 1 1142 . 1 1 98 98 GLU C C 13 179.1 0.12 . 1 . . . . . . . . 4282 1 1143 . 1 1 99 99 SER N N 15 114.5 0.15 . 1 . . . . . . . . 4282 1 1144 . 1 1 99 99 SER H H 1 8.45 0.03 . 1 . . . . . . . . 4282 1 1145 . 1 1 99 99 SER CA C 13 62.3 0.12 . 1 . . . . . . . . 4282 1 1146 . 1 1 99 99 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 4282 1 1147 . 1 1 99 99 SER CB C 13 62.8 0.12 . 1 . . . . . . . . 4282 1 1148 . 1 1 99 99 SER HB2 H 1 3.96 0.03 . 1 . . . . . . . . 4282 1 1149 . 1 1 99 99 SER HB3 H 1 3.96 0.03 . 1 . . . . . . . . 4282 1 1150 . 1 1 99 99 SER C C 13 176.0 0.12 . 1 . . . . . . . . 4282 1 1151 . 1 1 100 100 ARG N N 15 119.5 0.15 . 1 . . . . . . . . 4282 1 1152 . 1 1 100 100 ARG H H 1 7.78 0.03 . 1 . . . . . . . . 4282 1 1153 . 1 1 100 100 ARG CA C 13 59.4 0.12 . 1 . . . . . . . . 4282 1 1154 . 1 1 100 100 ARG HA H 1 4.06 0.03 . 1 . . . . . . . . 4282 1 1155 . 1 1 100 100 ARG CB C 13 30.7 0.12 . 1 . . . . . . . . 4282 1 1156 . 1 1 100 100 ARG HB2 H 1 1.81 0.03 . 2 . . . . . . . . 4282 1 1157 . 1 1 100 100 ARG HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4282 1 1158 . 1 1 100 100 ARG CG C 13 29.0 0.12 . 1 . . . . . . . . 4282 1 1159 . 1 1 100 100 ARG HG2 H 1 1.61 0.03 . 2 . . . . . . . . 4282 1 1160 . 1 1 100 100 ARG HG3 H 1 1.83 0.03 . 2 . . . . . . . . 4282 1 1161 . 1 1 100 100 ARG CD C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 1162 . 1 1 100 100 ARG HD2 H 1 3.13 0.03 . 2 . . . . . . . . 4282 1 1163 . 1 1 100 100 ARG HD3 H 1 3.33 0.03 . 2 . . . . . . . . 4282 1 1164 . 1 1 100 100 ARG C C 13 177.6 0.12 . 1 . . . . . . . . 4282 1 1165 . 1 1 101 101 SER N N 15 111.6 0.15 . 1 . . . . . . . . 4282 1 1166 . 1 1 101 101 SER H H 1 7.80 0.03 . 1 . . . . . . . . 4282 1 1167 . 1 1 101 101 SER CA C 13 58.5 0.12 . 1 . . . . . . . . 4282 1 1168 . 1 1 101 101 SER HA H 1 4.49 0.03 . 1 . . . . . . . . 4282 1 1169 . 1 1 101 101 SER CB C 13 64.7 0.12 . 1 . . . . . . . . 4282 1 1170 . 1 1 101 101 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4282 1 1171 . 1 1 101 101 SER HB3 H 1 4.04 0.03 . 2 . . . . . . . . 4282 1 1172 . 1 1 101 101 SER C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 1173 . 1 1 102 102 GLY N N 15 113.4 0.15 . 1 . . . . . . . . 4282 1 1174 . 1 1 102 102 GLY H H 1 8.00 0.03 . 1 . . . . . . . . 4282 1 1175 . 1 1 102 102 GLY CA C 13 46.3 0.12 . 1 . . . . . . . . 4282 1 1176 . 1 1 102 102 GLY HA2 H 1 3.82 0.03 . 2 . . . . . . . . 4282 1 1177 . 1 1 102 102 GLY HA3 H 1 3.98 0.03 . 2 . . . . . . . . 4282 1 1178 . 1 1 102 102 GLY C C 13 174.8 0.12 . 1 . . . . . . . . 4282 1 1179 . 1 1 103 103 SER N N 15 116.6 0.15 . 1 . . . . . . . . 4282 1 1180 . 1 1 103 103 SER H H 1 8.15 0.03 . 1 . . . . . . . . 4282 1 1181 . 1 1 103 103 SER CA C 13 58.0 0.12 . 1 . . . . . . . . 4282 1 1182 . 1 1 103 103 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 4282 1 1183 . 1 1 103 103 SER CB C 13 64.1 0.12 . 1 . . . . . . . . 4282 1 1184 . 1 1 103 103 SER HB2 H 1 3.56 0.03 . 2 . . . . . . . . 4282 1 1185 . 1 1 103 103 SER HB3 H 1 3.74 0.03 . 2 . . . . . . . . 4282 1 1186 . 1 1 103 103 SER C C 13 171.7 0.12 . 1 . . . . . . . . 4282 1 1187 . 1 1 104 104 ASN N N 15 113.8 0.15 . 1 . . . . . . . . 4282 1 1188 . 1 1 104 104 ASN H H 1 8.71 0.03 . 1 . . . . . . . . 4282 1 1189 . 1 1 104 104 ASN CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 1190 . 1 1 104 104 ASN HA H 1 4.54 0.03 . 1 . . . . . . . . 4282 1 1191 . 1 1 104 104 ASN CB C 13 38.5 0.12 . 1 . . . . . . . . 4282 1 1192 . 1 1 104 104 ASN HB2 H 1 2.72 0.03 . 2 . . . . . . . . 4282 1 1193 . 1 1 104 104 ASN HB3 H 1 2.84 0.03 . 2 . . . . . . . . 4282 1 1194 . 1 1 104 104 ASN CG C 13 179.1 0.12 . 1 . . . . . . . . 4282 1 1195 . 1 1 104 104 ASN ND2 N 15 115.5 0.15 . 1 . . . . . . . . 4282 1 1196 . 1 1 104 104 ASN HD21 H 1 6.95 0.03 . 2 . . . . . . . . 4282 1 1197 . 1 1 104 104 ASN HD22 H 1 7.57 0.03 . 2 . . . . . . . . 4282 1 1198 . 1 1 105 105 PRO CA C 13 64.8 0.12 . 1 . . . . . . . . 4282 1 1199 . 1 1 105 105 PRO HA H 1 4.84 0.03 . 1 . . . . . . . . 4282 1 1200 . 1 1 105 105 PRO CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 1201 . 1 1 105 105 PRO HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4282 1 1202 . 1 1 105 105 PRO HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4282 1 1203 . 1 1 105 105 PRO HD2 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1204 . 1 1 105 105 PRO HD3 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1205 . 1 1 105 105 PRO C C 13 176.5 0.12 . 1 . . . . . . . . 4282 1 1206 . 1 1 106 106 ASN N N 15 118.1 0.15 . 1 . . . . . . . . 4282 1 1207 . 1 1 106 106 ASN H H 1 8.47 0.03 . 1 . . . . . . . . 4282 1 1208 . 1 1 106 106 ASN CA C 13 52.4 0.12 . 1 . . . . . . . . 4282 1 1209 . 1 1 106 106 ASN HA H 1 5.34 0.03 . 1 . . . . . . . . 4282 1 1210 . 1 1 106 106 ASN CB C 13 40.0 0.12 . 1 . . . . . . . . 4282 1 1211 . 1 1 106 106 ASN HB2 H 1 2.73 0.03 . 2 . . . . . . . . 4282 1 1212 . 1 1 106 106 ASN HB3 H 1 3.10 0.03 . 2 . . . . . . . . 4282 1 1213 . 1 1 106 106 ASN CG C 13 178.5 0.12 . 1 . . . . . . . . 4282 1 1214 . 1 1 106 106 ASN ND2 N 15 111.6 0.15 . 1 . . . . . . . . 4282 1 1215 . 1 1 106 106 ASN HD21 H 1 7.10 0.03 . 2 . . . . . . . . 4282 1 1216 . 1 1 106 106 ASN HD22 H 1 7.63 0.03 . 2 . . . . . . . . 4282 1 1217 . 1 1 106 106 ASN C C 13 176.1 0.12 . 1 . . . . . . . . 4282 1 1218 . 1 1 107 107 ARG N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 1219 . 1 1 107 107 ARG H H 1 8.19 0.03 . 1 . . . . . . . . 4282 1 1220 . 1 1 107 107 ARG CA C 13 59.6 0.12 . 1 . . . . . . . . 4282 1 1221 . 1 1 107 107 ARG HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1222 . 1 1 107 107 ARG CB C 13 30.0 0.12 . 1 . . . . . . . . 4282 1 1223 . 1 1 107 107 ARG C C 13 175.6 0.12 . 1 . . . . . . . . 4282 1 1224 . 1 1 108 108 VAL N N 15 122.7 0.15 . 1 . . . . . . . . 4282 1 1225 . 1 1 108 108 VAL H H 1 8.39 0.03 . 1 . . . . . . . . 4282 1 1226 . 1 1 108 108 VAL CA C 13 60.5 0.12 . 1 . . . . . . . . 4282 1 1227 . 1 1 108 108 VAL HA H 1 5.23 0.03 . 1 . . . . . . . . 4282 1 1228 . 1 1 108 108 VAL CB C 13 33.8 0.12 . 1 . . . . . . . . 4282 1 1229 . 1 1 108 108 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 4282 1 1230 . 1 1 108 108 VAL HG11 H 1 0.98 0.03 . 2 . . . . . . . . 4282 1 1231 . 1 1 108 108 VAL HG12 H 1 0.98 0.03 . 2 . . . . . . . . 4282 1 1232 . 1 1 108 108 VAL HG13 H 1 0.98 0.03 . 2 . . . . . . . . 4282 1 1233 . 1 1 108 108 VAL HG21 H 1 1.24 0.03 . 2 . . . . . . . . 4282 1 1234 . 1 1 108 108 VAL HG22 H 1 1.24 0.03 . 2 . . . . . . . . 4282 1 1235 . 1 1 108 108 VAL HG23 H 1 1.24 0.03 . 2 . . . . . . . . 4282 1 1236 . 1 1 108 108 VAL CG1 C 13 21.1 0.12 . 1 . . . . . . . . 4282 1 1237 . 1 1 108 108 VAL CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 1238 . 1 1 108 108 VAL C C 13 177.0 0.12 . 1 . . . . . . . . 4282 1 1239 . 1 1 109 109 ARG N N 15 125.6 0.15 . 1 . . . . . . . . 4282 1 1240 . 1 1 109 109 ARG H H 1 9.11 0.03 . 1 . . . . . . . . 4282 1 1241 . 1 1 109 109 ARG CA C 13 55.2 0.12 . 1 . . . . . . . . 4282 1 1242 . 1 1 109 109 ARG HA H 1 4.59 0.03 . 1 . . . . . . . . 4282 1 1243 . 1 1 109 109 ARG CB C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 1244 . 1 1 109 109 ARG HB2 H 1 1.14 0.03 . 2 . . . . . . . . 4282 1 1245 . 1 1 109 109 ARG HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4282 1 1246 . 1 1 109 109 ARG CG C 13 27.4 0.12 . 1 . . . . . . . . 4282 1 1247 . 1 1 109 109 ARG HG2 H 1 1.20 0.03 . 2 . . . . . . . . 4282 1 1248 . 1 1 109 109 ARG HG3 H 1 1.31 0.03 . 2 . . . . . . . . 4282 1 1249 . 1 1 109 109 ARG CD C 13 42.5 0.12 . 1 . . . . . . . . 4282 1 1250 . 1 1 109 109 ARG HD2 H 1 1.94 0.03 . 2 . . . . . . . . 4282 1 1251 . 1 1 109 109 ARG HD3 H 1 2.63 0.03 . 2 . . . . . . . . 4282 1 1252 . 1 1 109 109 ARG C C 13 176.3 0.12 . 1 . . . . . . . . 4282 1 1253 . 1 1 110 110 MET N N 15 121.7 0.15 . 1 . . . . . . . . 4282 1 1254 . 1 1 110 110 MET H H 1 8.08 0.03 . 1 . . . . . . . . 4282 1 1255 . 1 1 110 110 MET CA C 13 54.8 0.12 . 1 . . . . . . . . 4282 1 1256 . 1 1 110 110 MET HA H 1 5.15 0.03 . 1 . . . . . . . . 4282 1 1257 . 1 1 110 110 MET CB C 13 34.6 0.12 . 1 . . . . . . . . 4282 1 1258 . 1 1 110 110 MET HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4282 1 1259 . 1 1 110 110 MET HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4282 1 1260 . 1 1 110 110 MET CG C 13 32.6 0.12 . 1 . . . . . . . . 4282 1 1261 . 1 1 110 110 MET HG2 H 1 2.47 0.03 . 2 . . . . . . . . 4282 1 1262 . 1 1 110 110 MET HG3 H 1 2.55 0.03 . 2 . . . . . . . . 4282 1 1263 . 1 1 110 110 MET C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 1264 . 1 1 111 111 PHE N N 15 124.6 0.15 . 1 . . . . . . . . 4282 1 1265 . 1 1 111 111 PHE H H 1 9.60 0.03 . 1 . . . . . . . . 4282 1 1266 . 1 1 111 111 PHE CA C 13 57.1 0.12 . 1 . . . . . . . . 4282 1 1267 . 1 1 111 111 PHE HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1268 . 1 1 111 111 PHE CB C 13 40.3 0.12 . 1 . . . . . . . . 4282 1 1269 . 1 1 111 111 PHE HB2 H 1 2.72 0.03 . 2 . . . . . . . . 4282 1 1270 . 1 1 111 111 PHE HB3 H 1 3.18 0.03 . 2 . . . . . . . . 4282 1 1271 . 1 1 111 111 PHE HD1 H 1 7.18 0.03 . 1 . . . . . . . . 4282 1 1272 . 1 1 111 111 PHE HD2 H 1 7.18 0.03 . 1 . . . . . . . . 4282 1 1273 . 1 1 111 111 PHE C C 13 174.3 0.12 . 1 . . . . . . . . 4282 1 1274 . 1 1 112 112 GLY N N 15 111.0 0.15 . 1 . . . . . . . . 4282 1 1275 . 1 1 112 112 GLY H H 1 8.34 0.03 . 1 . . . . . . . . 4282 1 1276 . 1 1 112 112 GLY CA C 13 44.1 0.12 . 1 . . . . . . . . 4282 1 1277 . 1 1 112 112 GLY HA2 H 1 3.86 0.03 . 2 . . . . . . . . 4282 1 1278 . 1 1 112 112 GLY HA3 H 1 4.41 0.03 . 2 . . . . . . . . 4282 1 1279 . 1 1 113 113 PRO CD C 13 49.2 0.12 . 1 . . . . . . . . 4282 1 1280 . 1 1 113 113 PRO CA C 13 65.5 0.12 . 1 . . . . . . . . 4282 1 1281 . 1 1 113 113 PRO HA H 1 4.12 0.03 . 1 . . . . . . . . 4282 1 1282 . 1 1 113 113 PRO CB C 13 31.8 0.12 . 1 . . . . . . . . 4282 1 1283 . 1 1 113 113 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 4282 1 1284 . 1 1 113 113 PRO HB3 H 1 2.20 0.03 . 2 . . . . . . . . 4282 1 1285 . 1 1 113 113 PRO CG C 13 27.3 0.12 . 1 . . . . . . . . 4282 1 1286 . 1 1 113 113 PRO HG2 H 1 1.56 0.03 . 2 . . . . . . . . 4282 1 1287 . 1 1 113 113 PRO HG3 H 1 1.86 0.03 . 2 . . . . . . . . 4282 1 1288 . 1 1 113 113 PRO HD2 H 1 3.00 0.03 . 2 . . . . . . . . 4282 1 1289 . 1 1 113 113 PRO HD3 H 1 3.58 0.03 . 2 . . . . . . . . 4282 1 1290 . 1 1 113 113 PRO C C 13 178.8 0.12 . 1 . . . . . . . . 4282 1 1291 . 1 1 114 114 ASP N N 15 113.2 0.15 . 1 . . . . . . . . 4282 1 1292 . 1 1 114 114 ASP H H 1 8.71 0.03 . 1 . . . . . . . . 4282 1 1293 . 1 1 114 114 ASP CA C 13 55.2 0.12 . 1 . . . . . . . . 4282 1 1294 . 1 1 114 114 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 1295 . 1 1 114 114 ASP CB C 13 39.7 0.12 . 1 . . . . . . . . 4282 1 1296 . 1 1 114 114 ASP HB2 H 1 2.74 0.03 . 1 . . . . . . . . 4282 1 1297 . 1 1 114 114 ASP HB3 H 1 2.74 0.03 . 1 . . . . . . . . 4282 1 1298 . 1 1 114 114 ASP C C 13 177.1 0.12 . 1 . . . . . . . . 4282 1 1299 . 1 1 115 115 LYS N N 15 118.3 0.15 . 1 . . . . . . . . 4282 1 1300 . 1 1 115 115 LYS H H 1 8.30 0.03 . 1 . . . . . . . . 4282 1 1301 . 1 1 115 115 LYS CA C 13 54.9 0.12 . 1 . . . . . . . . 4282 1 1302 . 1 1 115 115 LYS HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1303 . 1 1 115 115 LYS CB C 13 34.1 0.12 . 1 . . . . . . . . 4282 1 1304 . 1 1 115 115 LYS HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4282 1 1305 . 1 1 115 115 LYS HB3 H 1 2.36 0.03 . 2 . . . . . . . . 4282 1 1306 . 1 1 115 115 LYS CG C 13 25.3 0.12 . 1 . . . . . . . . 4282 1 1307 . 1 1 115 115 LYS HG2 H 1 1.58 0.03 . 2 . . . . . . . . 4282 1 1308 . 1 1 115 115 LYS HG3 H 1 1.75 0.03 . 2 . . . . . . . . 4282 1 1309 . 1 1 115 115 LYS CD C 13 28.4 0.12 . 1 . . . . . . . . 4282 1 1310 . 1 1 115 115 LYS HD2 H 1 1.80 0.03 . 1 . . . . . . . . 4282 1 1311 . 1 1 115 115 LYS HD3 H 1 1.80 0.03 . 1 . . . . . . . . 4282 1 1312 . 1 1 115 115 LYS CE C 13 42.4 0.12 . 1 . . . . . . . . 4282 1 1313 . 1 1 115 115 LYS HE2 H 1 3.09 0.03 . 2 . . . . . . . . 4282 1 1314 . 1 1 115 115 LYS HE3 H 1 3.14 0.03 . 2 . . . . . . . . 4282 1 1315 . 1 1 115 115 LYS C C 13 175.9 0.12 . 1 . . . . . . . . 4282 1 1316 . 1 1 116 116 LEU N N 15 118.5 0.15 . 1 . . . . . . . . 4282 1 1317 . 1 1 116 116 LEU H H 1 7.09 0.03 . 1 . . . . . . . . 4282 1 1318 . 1 1 116 116 LEU CA C 13 53.2 0.12 . 1 . . . . . . . . 4282 1 1319 . 1 1 116 116 LEU HA H 1 4.81 0.03 . 1 . . . . . . . . 4282 1 1320 . 1 1 116 116 LEU CB C 13 42.5 0.12 . 1 . . . . . . . . 4282 1 1321 . 1 1 116 116 LEU HB2 H 1 1.39 0.03 . 2 . . . . . . . . 4282 1 1322 . 1 1 116 116 LEU HB3 H 1 1.68 0.03 . 2 . . . . . . . . 4282 1 1323 . 1 1 116 116 LEU CG C 13 26.0 0.12 . 1 . . . . . . . . 4282 1 1324 . 1 1 116 116 LEU HG H 1 1.99 0.03 . 1 . . . . . . . . 4282 1 1325 . 1 1 116 116 LEU HD11 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 1326 . 1 1 116 116 LEU HD12 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 1327 . 1 1 116 116 LEU HD13 H 1 0.66 0.03 . 2 . . . . . . . . 4282 1 1328 . 1 1 116 116 LEU HD21 H 1 0.71 0.03 . 2 . . . . . . . . 4282 1 1329 . 1 1 116 116 LEU HD22 H 1 0.71 0.03 . 2 . . . . . . . . 4282 1 1330 . 1 1 116 116 LEU HD23 H 1 0.71 0.03 . 2 . . . . . . . . 4282 1 1331 . 1 1 116 116 LEU CD1 C 13 22.6 0.12 . 1 . . . . . . . . 4282 1 1332 . 1 1 116 116 LEU CD2 C 13 26.1 0.12 . 1 . . . . . . . . 4282 1 1333 . 1 1 116 116 LEU C C 13 177.0 0.12 . 1 . . . . . . . . 4282 1 1334 . 1 1 117 117 VAL N N 15 123.5 0.15 . 1 . . . . . . . . 4282 1 1335 . 1 1 117 117 VAL H H 1 9.11 0.03 . 1 . . . . . . . . 4282 1 1336 . 1 1 117 117 VAL CA C 13 64.2 0.12 . 1 . . . . . . . . 4282 1 1337 . 1 1 117 117 VAL HA H 1 3.87 0.03 . 1 . . . . . . . . 4282 1 1338 . 1 1 117 117 VAL CB C 13 31.4 0.12 . 1 . . . . . . . . 4282 1 1339 . 1 1 117 117 VAL HB H 1 2.38 0.03 . 1 . . . . . . . . 4282 1 1340 . 1 1 117 117 VAL HG11 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1341 . 1 1 117 117 VAL HG12 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1342 . 1 1 117 117 VAL HG13 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1343 . 1 1 117 117 VAL HG21 H 1 1.13 0.03 . 2 . . . . . . . . 4282 1 1344 . 1 1 117 117 VAL HG22 H 1 1.13 0.03 . 2 . . . . . . . . 4282 1 1345 . 1 1 117 117 VAL HG23 H 1 1.13 0.03 . 2 . . . . . . . . 4282 1 1346 . 1 1 117 117 VAL CG1 C 13 22.0 0.12 . 1 . . . . . . . . 4282 1 1347 . 1 1 117 117 VAL CG2 C 13 22.2 0.12 . 1 . . . . . . . . 4282 1 1348 . 1 1 117 117 VAL C C 13 178.2 0.12 . 1 . . . . . . . . 4282 1 1349 . 1 1 118 118 ARG N N 15 132.2 0.15 . 1 . . . . . . . . 4282 1 1350 . 1 1 118 118 ARG H H 1 8.69 0.03 . 1 . . . . . . . . 4282 1 1351 . 1 1 118 118 ARG CA C 13 59.6 0.12 . 1 . . . . . . . . 4282 1 1352 . 1 1 118 118 ARG HA H 1 3.92 0.03 . 1 . . . . . . . . 4282 1 1353 . 1 1 118 118 ARG CB C 13 28.9 0.12 . 1 . . . . . . . . 4282 1 1354 . 1 1 118 118 ARG HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4282 1 1355 . 1 1 118 118 ARG HB3 H 1 2.01 0.03 . 2 . . . . . . . . 4282 1 1356 . 1 1 118 118 ARG CG C 13 25.8 0.12 . 1 . . . . . . . . 4282 1 1357 . 1 1 118 118 ARG HG2 H 1 1.82 0.03 . 1 . . . . . . . . 4282 1 1358 . 1 1 118 118 ARG HG3 H 1 1.82 0.03 . 1 . . . . . . . . 4282 1 1359 . 1 1 118 118 ARG CD C 13 42.6 0.12 . 1 . . . . . . . . 4282 1 1360 . 1 1 118 118 ARG HD2 H 1 3.29 0.03 . 1 . . . . . . . . 4282 1 1361 . 1 1 118 118 ARG HD3 H 1 3.29 0.03 . 1 . . . . . . . . 4282 1 1362 . 1 1 118 118 ARG C C 13 177.9 0.12 . 1 . . . . . . . . 4282 1 1363 . 1 1 119 119 ALA N N 15 117.8 0.15 . 1 . . . . . . . . 4282 1 1364 . 1 1 119 119 ALA H H 1 8.67 0.03 . 1 . . . . . . . . 4282 1 1365 . 1 1 119 119 ALA CA C 13 55.0 0.12 . 1 . . . . . . . . 4282 1 1366 . 1 1 119 119 ALA HA H 1 4.13 0.03 . 1 . . . . . . . . 4282 1 1367 . 1 1 119 119 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 4282 1 1368 . 1 1 119 119 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 4282 1 1369 . 1 1 119 119 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 4282 1 1370 . 1 1 119 119 ALA CB C 13 18.6 0.12 . 1 . . . . . . . . 4282 1 1371 . 1 1 119 119 ALA C C 13 180.2 0.12 . 1 . . . . . . . . 4282 1 1372 . 1 1 120 120 ALA N N 15 117.0 0.15 . 1 . . . . . . . . 4282 1 1373 . 1 1 120 120 ALA H H 1 6.89 0.03 . 1 . . . . . . . . 4282 1 1374 . 1 1 120 120 ALA CA C 13 54.0 0.12 . 1 . . . . . . . . 4282 1 1375 . 1 1 120 120 ALA HA H 1 4.66 0.03 . 1 . . . . . . . . 4282 1 1376 . 1 1 120 120 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 4282 1 1377 . 1 1 120 120 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4282 1 1378 . 1 1 120 120 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4282 1 1379 . 1 1 120 120 ALA CB C 13 19.9 0.12 . 1 . . . . . . . . 4282 1 1380 . 1 1 120 120 ALA C C 13 179.9 0.12 . 1 . . . . . . . . 4282 1 1381 . 1 1 121 121 ALA N N 15 122.2 0.15 . 1 . . . . . . . . 4282 1 1382 . 1 1 121 121 ALA H H 1 8.81 0.03 . 1 . . . . . . . . 4282 1 1383 . 1 1 121 121 ALA CA C 13 54.7 0.12 . 1 . . . . . . . . 4282 1 1384 . 1 1 121 121 ALA HA H 1 4.37 0.03 . 1 . . . . . . . . 4282 1 1385 . 1 1 121 121 ALA HB1 H 1 1.58 0.03 . 1 . . . . . . . . 4282 1 1386 . 1 1 121 121 ALA HB2 H 1 1.58 0.03 . 1 . . . . . . . . 4282 1 1387 . 1 1 121 121 ALA HB3 H 1 1.58 0.03 . 1 . . . . . . . . 4282 1 1388 . 1 1 121 121 ALA CB C 13 19.3 0.12 . 1 . . . . . . . . 4282 1 1389 . 1 1 121 121 ALA C C 13 179.0 0.12 . 1 . . . . . . . . 4282 1 1390 . 1 1 122 122 GLU N N 15 113.7 0.15 . 1 . . . . . . . . 4282 1 1391 . 1 1 122 122 GLU H H 1 7.72 0.03 . 1 . . . . . . . . 4282 1 1392 . 1 1 122 122 GLU CA C 13 56.9 0.12 . 1 . . . . . . . . 4282 1 1393 . 1 1 122 122 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 4282 1 1394 . 1 1 122 122 GLU CB C 13 30.4 0.12 . 1 . . . . . . . . 4282 1 1395 . 1 1 122 122 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4282 1 1396 . 1 1 122 122 GLU HB3 H 1 2.17 0.03 . 2 . . . . . . . . 4282 1 1397 . 1 1 122 122 GLU CG C 13 36.7 0.12 . 1 . . . . . . . . 4282 1 1398 . 1 1 122 122 GLU HG2 H 1 2.42 0.03 . 2 . . . . . . . . 4282 1 1399 . 1 1 122 122 GLU HG3 H 1 2.50 0.03 . 2 . . . . . . . . 4282 1 1400 . 1 1 122 122 GLU C C 13 176.8 0.12 . 1 . . . . . . . . 4282 1 1401 . 1 1 123 123 LYS N N 15 120.0 0.15 . 1 . . . . . . . . 4282 1 1402 . 1 1 123 123 LYS H H 1 7.35 0.03 . 1 . . . . . . . . 4282 1 1403 . 1 1 123 123 LYS CA C 13 55.4 0.12 . 1 . . . . . . . . 4282 1 1404 . 1 1 123 123 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 4282 1 1405 . 1 1 123 123 LYS CB C 13 34.5 0.12 . 1 . . . . . . . . 4282 1 1406 . 1 1 123 123 LYS HB2 H 1 1.25 0.03 . 2 . . . . . . . . 4282 1 1407 . 1 1 123 123 LYS HB3 H 1 1.68 0.03 . 2 . . . . . . . . 4282 1 1408 . 1 1 123 123 LYS CG C 13 26.1 0.12 . 1 . . . . . . . . 4282 1 1409 . 1 1 123 123 LYS HG2 H 1 1.24 0.03 . 2 . . . . . . . . 4282 1 1410 . 1 1 123 123 LYS HG3 H 1 1.63 0.03 . 2 . . . . . . . . 4282 1 1411 . 1 1 123 123 LYS CD C 13 29.6 0.12 . 1 . . . . . . . . 4282 1 1412 . 1 1 123 123 LYS HD2 H 1 1.74 0.03 . 1 . . . . . . . . 4282 1 1413 . 1 1 123 123 LYS HD3 H 1 1.74 0.03 . 1 . . . . . . . . 4282 1 1414 . 1 1 123 123 LYS CE C 13 42.1 0.12 . 1 . . . . . . . . 4282 1 1415 . 1 1 123 123 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4282 1 1416 . 1 1 123 123 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4282 1 1417 . 1 1 123 123 LYS C C 13 173.3 0.12 . 1 . . . . . . . . 4282 1 1418 . 1 1 124 124 ARG N N 15 115.3 0.15 . 1 . . . . . . . . 4282 1 1419 . 1 1 124 124 ARG H H 1 7.26 0.03 . 1 . . . . . . . . 4282 1 1420 . 1 1 124 124 ARG CA C 13 54.5 0.12 . 1 . . . . . . . . 4282 1 1421 . 1 1 124 124 ARG HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1422 . 1 1 124 124 ARG CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 1423 . 1 1 124 124 ARG HB2 H 1 1.15 0.03 . 2 . . . . . . . . 4282 1 1424 . 1 1 124 124 ARG HB3 H 1 1.30 0.03 . 2 . . . . . . . . 4282 1 1425 . 1 1 124 124 ARG CG C 13 28.2 0.12 . 1 . . . . . . . . 4282 1 1426 . 1 1 124 124 ARG HG2 H 1 1.22 0.03 . 2 . . . . . . . . 4282 1 1427 . 1 1 124 124 ARG HG3 H 1 1.49 0.03 . 2 . . . . . . . . 4282 1 1428 . 1 1 124 124 ARG CD C 13 43.5 0.12 . 1 . . . . . . . . 4282 1 1429 . 1 1 124 124 ARG HD2 H 1 2.96 0.03 . 2 . . . . . . . . 4282 1 1430 . 1 1 124 124 ARG HD3 H 1 3.06 0.03 . 2 . . . . . . . . 4282 1 1431 . 1 1 124 124 ARG C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 1432 . 1 1 125 125 TRP N N 15 120.7 0.15 . 1 . . . . . . . . 4282 1 1433 . 1 1 125 125 TRP H H 1 8.48 0.03 . 1 . . . . . . . . 4282 1 1434 . 1 1 125 125 TRP CA C 13 56.3 0.12 . 1 . . . . . . . . 4282 1 1435 . 1 1 125 125 TRP HA H 1 5.08 0.03 . 1 . . . . . . . . 4282 1 1436 . 1 1 125 125 TRP CB C 13 35.4 0.12 . 1 . . . . . . . . 4282 1 1437 . 1 1 125 125 TRP HB2 H 1 2.55 0.03 . 2 . . . . . . . . 4282 1 1438 . 1 1 125 125 TRP HB3 H 1 3.93 0.03 . 2 . . . . . . . . 4282 1 1439 . 1 1 125 125 TRP CD1 C 13 128.2 0.12 . 1 . . . . . . . . 4282 1 1440 . 1 1 125 125 TRP CE3 C 13 120.5 0.12 . 1 . . . . . . . . 4282 1 1441 . 1 1 125 125 TRP NE1 N 15 129.5 0.15 . 1 . . . . . . . . 4282 1 1442 . 1 1 125 125 TRP HD1 H 1 7.20 0.03 . 1 . . . . . . . . 4282 1 1443 . 1 1 125 125 TRP HE3 H 1 7.35 0.03 . 1 . . . . . . . . 4282 1 1444 . 1 1 125 125 TRP CZ3 C 13 120.5 0.12 . 1 . . . . . . . . 4282 1 1445 . 1 1 125 125 TRP CZ2 C 13 114.6 0.12 . 1 . . . . . . . . 4282 1 1446 . 1 1 125 125 TRP HE1 H 1 10.18 0.03 . 1 . . . . . . . . 4282 1 1447 . 1 1 125 125 TRP HZ3 H 1 7.01 0.03 . 1 . . . . . . . . 4282 1 1448 . 1 1 125 125 TRP CH2 C 13 123.5 0.12 . 1 . . . . . . . . 4282 1 1449 . 1 1 125 125 TRP HZ2 H 1 7.30 0.03 . 1 . . . . . . . . 4282 1 1450 . 1 1 125 125 TRP HH2 H 1 7.14 0.03 . 1 . . . . . . . . 4282 1 1451 . 1 1 125 125 TRP C C 13 175.8 0.12 . 1 . . . . . . . . 4282 1 1452 . 1 1 126 126 ASP N N 15 114.9 0.15 . 1 . . . . . . . . 4282 1 1453 . 1 1 126 126 ASP H H 1 8.18 0.03 . 1 . . . . . . . . 4282 1 1454 . 1 1 126 126 ASP CA C 13 53.3 0.12 . 1 . . . . . . . . 4282 1 1455 . 1 1 126 126 ASP HA H 1 5.13 0.03 . 1 . . . . . . . . 4282 1 1456 . 1 1 126 126 ASP CB C 13 41.7 0.12 . 1 . . . . . . . . 4282 1 1457 . 1 1 126 126 ASP HB2 H 1 2.21 0.03 . 2 . . . . . . . . 4282 1 1458 . 1 1 126 126 ASP HB3 H 1 2.91 0.03 . 2 . . . . . . . . 4282 1 1459 . 1 1 126 126 ASP C C 13 174.6 0.12 . 1 . . . . . . . . 4282 1 1460 . 1 1 127 127 ARG N N 15 119.3 0.15 . 1 . . . . . . . . 4282 1 1461 . 1 1 127 127 ARG H H 1 8.32 0.03 . 1 . . . . . . . . 4282 1 1462 . 1 1 127 127 ARG CA C 13 55.1 0.12 . 1 . . . . . . . . 4282 1 1463 . 1 1 127 127 ARG HA H 1 5.36 0.03 . 1 . . . . . . . . 4282 1 1464 . 1 1 127 127 ARG CB C 13 35.5 0.12 . 1 . . . . . . . . 4282 1 1465 . 1 1 127 127 ARG HB2 H 1 1.39 0.03 . 2 . . . . . . . . 4282 1 1466 . 1 1 127 127 ARG HB3 H 1 1.61 0.03 . 2 . . . . . . . . 4282 1 1467 . 1 1 127 127 ARG CG C 13 28.4 0.12 . 1 . . . . . . . . 4282 1 1468 . 1 1 127 127 ARG HG2 H 1 1.50 0.03 . 2 . . . . . . . . 4282 1 1469 . 1 1 127 127 ARG HG3 H 1 1.68 0.03 . 2 . . . . . . . . 4282 1 1470 . 1 1 127 127 ARG CD C 13 44.5 0.12 . 1 . . . . . . . . 4282 1 1471 . 1 1 127 127 ARG HD2 H 1 2.78 0.03 . 2 . . . . . . . . 4282 1 1472 . 1 1 127 127 ARG HD3 H 1 2.93 0.03 . 2 . . . . . . . . 4282 1 1473 . 1 1 127 127 ARG C C 13 174.8 0.12 . 1 . . . . . . . . 4282 1 1474 . 1 1 128 128 VAL N N 15 114.6 0.15 . 1 . . . . . . . . 4282 1 1475 . 1 1 128 128 VAL H H 1 8.41 0.03 . 1 . . . . . . . . 4282 1 1476 . 1 1 128 128 VAL CA C 13 58.7 0.12 . 1 . . . . . . . . 4282 1 1477 . 1 1 128 128 VAL HA H 1 4.97 0.03 . 1 . . . . . . . . 4282 1 1478 . 1 1 128 128 VAL CB C 13 35.5 0.12 . 1 . . . . . . . . 4282 1 1479 . 1 1 128 128 VAL HB H 1 1.56 0.03 . 1 . . . . . . . . 4282 1 1480 . 1 1 128 128 VAL HG11 H 1 0.44 0.03 . 2 . . . . . . . . 4282 1 1481 . 1 1 128 128 VAL HG12 H 1 0.44 0.03 . 2 . . . . . . . . 4282 1 1482 . 1 1 128 128 VAL HG13 H 1 0.44 0.03 . 2 . . . . . . . . 4282 1 1483 . 1 1 128 128 VAL HG21 H 1 0.43 0.03 . 2 . . . . . . . . 4282 1 1484 . 1 1 128 128 VAL HG22 H 1 0.43 0.03 . 2 . . . . . . . . 4282 1 1485 . 1 1 128 128 VAL HG23 H 1 0.43 0.03 . 2 . . . . . . . . 4282 1 1486 . 1 1 128 128 VAL CG1 C 13 20.1 0.12 . 1 . . . . . . . . 4282 1 1487 . 1 1 128 128 VAL CG2 C 13 21.6 0.12 . 1 . . . . . . . . 4282 1 1488 . 1 1 128 128 VAL C C 13 173.1 0.12 . 1 . . . . . . . . 4282 1 1489 . 1 1 129 129 LYS N N 15 126.9 0.15 . 1 . . . . . . . . 4282 1 1490 . 1 1 129 129 LYS H H 1 9.29 0.03 . 1 . . . . . . . . 4282 1 1491 . 1 1 129 129 LYS CA C 13 53.6 0.12 . 1 . . . . . . . . 4282 1 1492 . 1 1 129 129 LYS HA H 1 5.46 0.03 . 1 . . . . . . . . 4282 1 1493 . 1 1 129 129 LYS CB C 13 36.5 0.12 . 1 . . . . . . . . 4282 1 1494 . 1 1 129 129 LYS HB2 H 1 1.04 0.03 . 2 . . . . . . . . 4282 1 1495 . 1 1 129 129 LYS HB3 H 1 1.34 0.03 . 2 . . . . . . . . 4282 1 1496 . 1 1 129 129 LYS CG C 13 24.8 0.12 . 1 . . . . . . . . 4282 1 1497 . 1 1 129 129 LYS HG2 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 1498 . 1 1 129 129 LYS HG3 H 1 1.02 0.03 . 2 . . . . . . . . 4282 1 1499 . 1 1 129 129 LYS CD C 13 29.5 0.12 . 1 . . . . . . . . 4282 1 1500 . 1 1 129 129 LYS HD2 H 1 0.84 0.03 . 2 . . . . . . . . 4282 1 1501 . 1 1 129 129 LYS HD3 H 1 0.98 0.03 . 2 . . . . . . . . 4282 1 1502 . 1 1 129 129 LYS CE C 13 41.7 0.12 . 1 . . . . . . . . 4282 1 1503 . 1 1 129 129 LYS HE2 H 1 2.29 0.03 . 2 . . . . . . . . 4282 1 1504 . 1 1 129 129 LYS HE3 H 1 2.35 0.03 . 2 . . . . . . . . 4282 1 1505 . 1 1 129 129 LYS C C 13 174.0 0.12 . 1 . . . . . . . . 4282 1 1506 . 1 1 130 130 ILE N N 15 127.5 0.15 . 1 . . . . . . . . 4282 1 1507 . 1 1 130 130 ILE H H 1 9.12 0.03 . 1 . . . . . . . . 4282 1 1508 . 1 1 130 130 ILE CA C 13 60.5 0.12 . 1 . . . . . . . . 4282 1 1509 . 1 1 130 130 ILE HA H 1 4.94 0.03 . 1 . . . . . . . . 4282 1 1510 . 1 1 130 130 ILE CB C 13 40.0 0.12 . 1 . . . . . . . . 4282 1 1511 . 1 1 130 130 ILE HB H 1 1.82 0.03 . 1 . . . . . . . . 4282 1 1512 . 1 1 130 130 ILE HG21 H 1 1.03 0.03 . 1 . . . . . . . . 4282 1 1513 . 1 1 130 130 ILE HG22 H 1 1.03 0.03 . 1 . . . . . . . . 4282 1 1514 . 1 1 130 130 ILE HG23 H 1 1.03 0.03 . 1 . . . . . . . . 4282 1 1515 . 1 1 130 130 ILE CG2 C 13 19.7 0.12 . 1 . . . . . . . . 4282 1 1516 . 1 1 130 130 ILE CG1 C 13 28.7 0.12 . 1 . . . . . . . . 4282 1 1517 . 1 1 130 130 ILE HG12 H 1 1.08 0.03 . 2 . . . . . . . . 4282 1 1518 . 1 1 130 130 ILE HG13 H 1 1.62 0.03 . 2 . . . . . . . . 4282 1 1519 . 1 1 130 130 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1520 . 1 1 130 130 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1521 . 1 1 130 130 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1522 . 1 1 130 130 ILE CD1 C 13 15.6 0.12 . 1 . . . . . . . . 4282 1 1523 . 1 1 130 130 ILE C C 13 174.8 0.12 . 1 . . . . . . . . 4282 1 1524 . 1 1 131 131 VAL N N 15 126.9 0.15 . 1 . . . . . . . . 4282 1 1525 . 1 1 131 131 VAL H H 1 8.84 0.03 . 1 . . . . . . . . 4282 1 1526 . 1 1 131 131 VAL CA C 13 61.4 0.12 . 1 . . . . . . . . 4282 1 1527 . 1 1 131 131 VAL HA H 1 4.94 0.03 . 1 . . . . . . . . 4282 1 1528 . 1 1 131 131 VAL CB C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 1529 . 1 1 131 131 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4282 1 1530 . 1 1 131 131 VAL HG11 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 1531 . 1 1 131 131 VAL HG12 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 1532 . 1 1 131 131 VAL HG13 H 1 0.75 0.03 . 2 . . . . . . . . 4282 1 1533 . 1 1 131 131 VAL HG21 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1534 . 1 1 131 131 VAL HG22 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1535 . 1 1 131 131 VAL HG23 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1536 . 1 1 131 131 VAL CG1 C 13 20.8 0.12 . 1 . . . . . . . . 4282 1 1537 . 1 1 131 131 VAL CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 1538 . 1 1 131 131 VAL C C 13 177.0 0.12 . 1 . . . . . . . . 4282 1 1539 . 1 1 132 132 CYS N N 15 127.1 0.15 . 1 . . . . . . . . 4282 1 1540 . 1 1 132 132 CYS H H 1 9.47 0.03 . 1 . . . . . . . . 4282 1 1541 . 1 1 132 132 CYS CA C 13 57.4 0.12 . 1 . . . . . . . . 4282 1 1542 . 1 1 132 132 CYS HA H 1 5.51 0.03 . 1 . . . . . . . . 4282 1 1543 . 1 1 132 132 CYS CB C 13 29.7 0.12 . 1 . . . . . . . . 4282 1 1544 . 1 1 132 132 CYS HB2 H 1 2.75 0.03 . 2 . . . . . . . . 4282 1 1545 . 1 1 132 132 CYS HB3 H 1 3.43 0.03 . 2 . . . . . . . . 4282 1 1546 . 1 1 132 132 CYS C C 13 174.4 0.12 . 1 . . . . . . . . 4282 1 1547 . 1 1 133 133 SER N N 15 115.4 0.15 . 1 . . . . . . . . 4282 1 1548 . 1 1 133 133 SER H H 1 9.10 0.03 . 1 . . . . . . . . 4282 1 1549 . 1 1 133 133 SER CA C 13 56.9 0.12 . 1 . . . . . . . . 4282 1 1550 . 1 1 133 133 SER HA H 1 5.65 0.03 . 1 . . . . . . . . 4282 1 1551 . 1 1 133 133 SER CB C 13 66.5 0.12 . 1 . . . . . . . . 4282 1 1552 . 1 1 133 133 SER HB2 H 1 3.68 0.03 . 2 . . . . . . . . 4282 1 1553 . 1 1 133 133 SER HB3 H 1 3.81 0.03 . 2 . . . . . . . . 4282 1 1554 . 1 1 133 133 SER C C 13 174.3 0.12 . 1 . . . . . . . . 4282 1 1555 . 1 1 134 134 GLN N N 15 123.4 0.15 . 1 . . . . . . . . 4282 1 1556 . 1 1 134 134 GLN H H 1 8.55 0.03 . 1 . . . . . . . . 4282 1 1557 . 1 1 134 134 GLN CA C 13 52.2 0.12 . 1 . . . . . . . . 4282 1 1558 . 1 1 134 134 GLN HA H 1 4.18 0.03 . 1 . . . . . . . . 4282 1 1559 . 1 1 134 134 GLN CB C 13 27.1 0.12 . 1 . . . . . . . . 4282 1 1560 . 1 1 135 135 PRO CD C 13 49.5 0.12 . 1 . . . . . . . . 4282 1 1561 . 1 1 135 135 PRO CA C 13 63.0 0.12 . 1 . . . . . . . . 4282 1 1562 . 1 1 135 135 PRO HA H 1 4.35 0.03 . 1 . . . . . . . . 4282 1 1563 . 1 1 135 135 PRO CB C 13 32.1 0.12 . 1 . . . . . . . . 4282 1 1564 . 1 1 135 135 PRO HB2 H 1 1.87 0.03 . 2 . . . . . . . . 4282 1 1565 . 1 1 135 135 PRO HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4282 1 1566 . 1 1 135 135 PRO CG C 13 27.0 0.12 . 1 . . . . . . . . 4282 1 1567 . 1 1 135 135 PRO HG2 H 1 1.88 0.03 . 1 . . . . . . . . 4282 1 1568 . 1 1 135 135 PRO HG3 H 1 1.88 0.03 . 1 . . . . . . . . 4282 1 1569 . 1 1 135 135 PRO HD2 H 1 2.89 0.03 . 2 . . . . . . . . 4282 1 1570 . 1 1 135 135 PRO HD3 H 1 3.10 0.03 . 2 . . . . . . . . 4282 1 1571 . 1 1 135 135 PRO C C 13 176.9 0.12 . 1 . . . . . . . . 4282 1 1572 . 1 1 136 136 TYR N N 15 118.0 0.15 . 1 . . . . . . . . 4282 1 1573 . 1 1 136 136 TYR H H 1 7.98 0.03 . 1 . . . . . . . . 4282 1 1574 . 1 1 136 136 TYR CA C 13 58.0 0.12 . 1 . . . . . . . . 4282 1 1575 . 1 1 136 136 TYR HA H 1 4.68 0.03 . 1 . . . . . . . . 4282 1 1576 . 1 1 136 136 TYR CB C 13 39.1 0.12 . 1 . . . . . . . . 4282 1 1577 . 1 1 136 136 TYR HB2 H 1 2.93 0.03 . 2 . . . . . . . . 4282 1 1578 . 1 1 136 136 TYR HB3 H 1 3.19 0.03 . 2 . . . . . . . . 4282 1 1579 . 1 1 136 136 TYR HD1 H 1 7.19 0.03 . 1 . . . . . . . . 4282 1 1580 . 1 1 136 136 TYR HD2 H 1 7.19 0.03 . 1 . . . . . . . . 4282 1 1581 . 1 1 136 136 TYR HE1 H 1 6.81 0.03 . 1 . . . . . . . . 4282 1 1582 . 1 1 136 136 TYR HE2 H 1 6.81 0.03 . 1 . . . . . . . . 4282 1 1583 . 1 1 136 136 TYR CD1 C 13 133.0 0.12 . 1 . . . . . . . . 4282 1 1584 . 1 1 136 136 TYR CE1 C 13 118.7 0.12 . 1 . . . . . . . . 4282 1 1585 . 1 1 136 136 TYR CE2 C 13 118.7 0.12 . 1 . . . . . . . . 4282 1 1586 . 1 1 136 136 TYR CD2 C 13 133.0 0.12 . 1 . . . . . . . . 4282 1 1587 . 1 1 136 136 TYR C C 13 175.4 0.12 . 1 . . . . . . . . 4282 1 1588 . 1 1 137 137 SER N N 15 111.7 0.15 . 1 . . . . . . . . 4282 1 1589 . 1 1 137 137 SER H H 1 6.99 0.03 . 1 . . . . . . . . 4282 1 1590 . 1 1 137 137 SER CA C 13 56.2 0.12 . 1 . . . . . . . . 4282 1 1591 . 1 1 137 137 SER HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 1592 . 1 1 137 137 SER CB C 13 64.1 0.12 . 1 . . . . . . . . 4282 1 1593 . 1 1 137 137 SER HB2 H 1 3.34 0.03 . 2 . . . . . . . . 4282 1 1594 . 1 1 137 137 SER HB3 H 1 3.60 0.03 . 2 . . . . . . . . 4282 1 1595 . 1 1 137 137 SER C C 13 174.4 0.12 . 1 . . . . . . . . 4282 1 1596 . 1 1 138 138 LYS N N 15 124.5 0.15 . 1 . . . . . . . . 4282 1 1597 . 1 1 138 138 LYS H H 1 8.77 0.03 . 1 . . . . . . . . 4282 1 1598 . 1 1 138 138 LYS CA C 13 55.9 0.12 . 1 . . . . . . . . 4282 1 1599 . 1 1 138 138 LYS HA H 1 4.68 0.03 . 1 . . . . . . . . 4282 1 1600 . 1 1 138 138 LYS CB C 13 32.9 0.12 . 1 . . . . . . . . 4282 1 1601 . 1 1 138 138 LYS HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4282 1 1602 . 1 1 138 138 LYS HB3 H 1 1.90 0.03 . 2 . . . . . . . . 4282 1 1603 . 1 1 138 138 LYS CG C 13 24.4 0.12 . 1 . . . . . . . . 4282 1 1604 . 1 1 138 138 LYS HG2 H 1 1.34 0.03 . 2 . . . . . . . . 4282 1 1605 . 1 1 138 138 LYS HG3 H 1 1.41 0.03 . 2 . . . . . . . . 4282 1 1606 . 1 1 138 138 LYS CD C 13 29.3 0.12 . 1 . . . . . . . . 4282 1 1607 . 1 1 138 138 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 1608 . 1 1 138 138 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 1609 . 1 1 138 138 LYS CE C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 1610 . 1 1 138 138 LYS HE2 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1611 . 1 1 138 138 LYS HE3 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1612 . 1 1 138 138 LYS C C 13 176.1 0.12 . 1 . . . . . . . . 4282 1 1613 . 1 1 139 139 ASP N N 15 117.2 0.15 . 1 . . . . . . . . 4282 1 1614 . 1 1 139 139 ASP H H 1 7.92 0.03 . 1 . . . . . . . . 4282 1 1615 . 1 1 139 139 ASP CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 1616 . 1 1 139 139 ASP HA H 1 4.53 0.03 . 1 . . . . . . . . 4282 1 1617 . 1 1 139 139 ASP CB C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 1618 . 1 1 139 139 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4282 1 1619 . 1 1 139 139 ASP HB3 H 1 2.71 0.03 . 2 . . . . . . . . 4282 1 1620 . 1 1 139 139 ASP C C 13 176.4 0.12 . 1 . . . . . . . . 4282 1 1621 . 1 1 140 140 SER N N 15 113.3 0.15 . 1 . . . . . . . . 4282 1 1622 . 1 1 140 140 SER H H 1 7.77 0.03 . 1 . . . . . . . . 4282 1 1623 . 1 1 140 140 SER CA C 13 56.0 0.12 . 1 . . . . . . . . 4282 1 1624 . 1 1 140 140 SER HA H 1 5.11 0.03 . 1 . . . . . . . . 4282 1 1625 . 1 1 140 140 SER CB C 13 64.8 0.12 . 1 . . . . . . . . 4282 1 1626 . 1 1 140 140 SER HB2 H 1 3.70 0.03 . 2 . . . . . . . . 4282 1 1627 . 1 1 140 140 SER HB3 H 1 3.85 0.03 . 2 . . . . . . . . 4282 1 1628 . 1 1 141 141 PRO CD C 13 51.2 0.12 . 1 . . . . . . . . 4282 1 1629 . 1 1 141 141 PRO CA C 13 63.3 0.12 . 1 . . . . . . . . 4282 1 1630 . 1 1 141 141 PRO HA H 1 4.37 0.03 . 1 . . . . . . . . 4282 1 1631 . 1 1 141 141 PRO CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 1632 . 1 1 141 141 PRO HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4282 1 1633 . 1 1 141 141 PRO HB3 H 1 1.70 0.03 . 2 . . . . . . . . 4282 1 1634 . 1 1 141 141 PRO CG C 13 27.8 0.12 . 1 . . . . . . . . 4282 1 1635 . 1 1 141 141 PRO HG2 H 1 2.05 0.03 . 2 . . . . . . . . 4282 1 1636 . 1 1 141 141 PRO HG3 H 1 2.10 0.03 . 2 . . . . . . . . 4282 1 1637 . 1 1 141 141 PRO HD2 H 1 3.67 0.03 . 2 . . . . . . . . 4282 1 1638 . 1 1 141 141 PRO HD3 H 1 3.83 0.03 . 2 . . . . . . . . 4282 1 1639 . 1 1 141 141 PRO C C 13 173.2 0.12 . 1 . . . . . . . . 4282 1 1640 . 1 1 142 142 PHE N N 15 114.4 0.15 . 1 . . . . . . . . 4282 1 1641 . 1 1 142 142 PHE H H 1 6.15 0.03 . 1 . . . . . . . . 4282 1 1642 . 1 1 142 142 PHE CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 1643 . 1 1 142 142 PHE HA H 1 4.96 0.03 . 1 . . . . . . . . 4282 1 1644 . 1 1 142 142 PHE CB C 13 41.9 0.12 . 1 . . . . . . . . 4282 1 1645 . 1 1 142 142 PHE HB2 H 1 2.69 0.03 . 2 . . . . . . . . 4282 1 1646 . 1 1 142 142 PHE HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4282 1 1647 . 1 1 142 142 PHE HD1 H 1 7.20 0.03 . 1 . . . . . . . . 4282 1 1648 . 1 1 142 142 PHE HD2 H 1 7.20 0.03 . 1 . . . . . . . . 4282 1 1649 . 1 1 142 142 PHE C C 13 171.7 0.12 . 1 . . . . . . . . 4282 1 1650 . 1 1 143 143 GLY N N 15 106.2 0.15 . 1 . . . . . . . . 4282 1 1651 . 1 1 143 143 GLY H H 1 7.59 0.03 . 1 . . . . . . . . 4282 1 1652 . 1 1 143 143 GLY CA C 13 45.9 0.12 . 1 . . . . . . . . 4282 1 1653 . 1 1 143 143 GLY HA2 H 1 2.81 0.03 . 2 . . . . . . . . 4282 1 1654 . 1 1 143 143 GLY HA3 H 1 4.36 0.03 . 2 . . . . . . . . 4282 1 1655 . 1 1 143 143 GLY C C 13 172.5 0.12 . 1 . . . . . . . . 4282 1 1656 . 1 1 144 144 LEU N N 15 122.4 0.15 . 1 . . . . . . . . 4282 1 1657 . 1 1 144 144 LEU H H 1 9.00 0.03 . 1 . . . . . . . . 4282 1 1658 . 1 1 144 144 LEU CA C 13 53.8 0.12 . 1 . . . . . . . . 4282 1 1659 . 1 1 144 144 LEU HA H 1 4.71 0.03 . 1 . . . . . . . . 4282 1 1660 . 1 1 144 144 LEU CB C 13 47.7 0.12 . 1 . . . . . . . . 4282 1 1661 . 1 1 144 144 LEU HB2 H 1 1.48 0.03 . 2 . . . . . . . . 4282 1 1662 . 1 1 144 144 LEU HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4282 1 1663 . 1 1 144 144 LEU CG C 13 26.6 0.12 . 1 . . . . . . . . 4282 1 1664 . 1 1 144 144 LEU HG H 1 1.77 0.03 . 1 . . . . . . . . 4282 1 1665 . 1 1 144 144 LEU HD11 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 1666 . 1 1 144 144 LEU HD12 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 1667 . 1 1 144 144 LEU HD13 H 1 0.81 0.03 . 2 . . . . . . . . 4282 1 1668 . 1 1 144 144 LEU HD21 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1669 . 1 1 144 144 LEU HD22 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1670 . 1 1 144 144 LEU HD23 H 1 0.87 0.03 . 2 . . . . . . . . 4282 1 1671 . 1 1 144 144 LEU CD1 C 13 23.7 0.12 . 1 . . . . . . . . 4282 1 1672 . 1 1 144 144 LEU CD2 C 13 26.5 0.12 . 1 . . . . . . . . 4282 1 1673 . 1 1 144 144 LEU C C 13 175.3 0.12 . 1 . . . . . . . . 4282 1 1674 . 1 1 145 145 SER N N 15 114.9 0.15 . 1 . . . . . . . . 4282 1 1675 . 1 1 145 145 SER H H 1 8.54 0.03 . 1 . . . . . . . . 4282 1 1676 . 1 1 145 145 SER CA C 13 60.4 0.12 . 1 . . . . . . . . 4282 1 1677 . 1 1 145 145 SER HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 1678 . 1 1 145 145 SER CB C 13 63.9 0.12 . 1 . . . . . . . . 4282 1 1679 . 1 1 145 145 SER HB2 H 1 3.58 0.03 . 2 . . . . . . . . 4282 1 1680 . 1 1 145 145 SER HB3 H 1 3.74 0.03 . 2 . . . . . . . . 4282 1 1681 . 1 1 145 145 SER C C 13 174.2 0.12 . 1 . . . . . . . . 4282 1 1682 . 1 1 146 146 PHE N N 15 111.2 0.15 . 1 . . . . . . . . 4282 1 1683 . 1 1 146 146 PHE H H 1 7.69 0.03 . 1 . . . . . . . . 4282 1 1684 . 1 1 146 146 PHE CA C 13 57.4 0.12 . 1 . . . . . . . . 4282 1 1685 . 1 1 146 146 PHE HA H 1 4.89 0.03 . 1 . . . . . . . . 4282 1 1686 . 1 1 146 146 PHE CB C 13 40.5 0.12 . 1 . . . . . . . . 4282 1 1687 . 1 1 146 146 PHE HB2 H 1 3.02 0.03 . 2 . . . . . . . . 4282 1 1688 . 1 1 146 146 PHE HB3 H 1 3.44 0.03 . 2 . . . . . . . . 4282 1 1689 . 1 1 146 146 PHE HD1 H 1 6.85 0.03 . 1 . . . . . . . . 4282 1 1690 . 1 1 146 146 PHE HD2 H 1 6.85 0.03 . 1 . . . . . . . . 4282 1 1691 . 1 1 146 146 PHE HE1 H 1 7.15 0.03 . 1 . . . . . . . . 4282 1 1692 . 1 1 146 146 PHE HE2 H 1 7.15 0.03 . 1 . . . . . . . . 4282 1 1693 . 1 1 146 146 PHE CD1 C 13 132.0 0.12 . 1 . . . . . . . . 4282 1 1694 . 1 1 146 146 PHE CE1 C 13 130.6 0.12 . 1 . . . . . . . . 4282 1 1695 . 1 1 146 146 PHE HZ H 1 7.26 0.03 . 1 . . . . . . . . 4282 1 1696 . 1 1 146 146 PHE CE2 C 13 130.6 0.12 . 1 . . . . . . . . 4282 1 1697 . 1 1 146 146 PHE CD2 C 13 132.0 0.12 . 1 . . . . . . . . 4282 1 1698 . 1 1 146 146 PHE C C 13 172.6 0.12 . 1 . . . . . . . . 4282 1 1699 . 1 1 147 147 VAL N N 15 115.5 0.15 . 1 . . . . . . . . 4282 1 1700 . 1 1 147 147 VAL H H 1 9.03 0.03 . 1 . . . . . . . . 4282 1 1701 . 1 1 147 147 VAL CA C 13 60.1 0.12 . 1 . . . . . . . . 4282 1 1702 . 1 1 147 147 VAL HA H 1 4.98 0.03 . 1 . . . . . . . . 4282 1 1703 . 1 1 147 147 VAL CB C 13 35.5 0.12 . 1 . . . . . . . . 4282 1 1704 . 1 1 147 147 VAL HB H 1 1.83 0.03 . 1 . . . . . . . . 4282 1 1705 . 1 1 147 147 VAL HG11 H 1 0.72 0.03 . 2 . . . . . . . . 4282 1 1706 . 1 1 147 147 VAL HG12 H 1 0.72 0.03 . 2 . . . . . . . . 4282 1 1707 . 1 1 147 147 VAL HG13 H 1 0.72 0.03 . 2 . . . . . . . . 4282 1 1708 . 1 1 147 147 VAL HG21 H 1 0.86 0.03 . 2 . . . . . . . . 4282 1 1709 . 1 1 147 147 VAL HG22 H 1 0.86 0.03 . 2 . . . . . . . . 4282 1 1710 . 1 1 147 147 VAL HG23 H 1 0.86 0.03 . 2 . . . . . . . . 4282 1 1711 . 1 1 147 147 VAL CG1 C 13 20.9 0.12 . 1 . . . . . . . . 4282 1 1712 . 1 1 147 147 VAL CG2 C 13 21.4 0.12 . 1 . . . . . . . . 4282 1 1713 . 1 1 147 147 VAL C C 13 173.3 0.12 . 1 . . . . . . . . 4282 1 1714 . 1 1 148 148 ARG N N 15 123.6 0.15 . 1 . . . . . . . . 4282 1 1715 . 1 1 148 148 ARG H H 1 8.94 0.03 . 1 . . . . . . . . 4282 1 1716 . 1 1 148 148 ARG CA C 13 55.1 0.12 . 1 . . . . . . . . 4282 1 1717 . 1 1 148 148 ARG HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1718 . 1 1 148 148 ARG CB C 13 34.8 0.12 . 1 . . . . . . . . 4282 1 1719 . 1 1 148 148 ARG HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4282 1 1720 . 1 1 148 148 ARG HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4282 1 1721 . 1 1 148 148 ARG CG C 13 28.0 0.12 . 1 . . . . . . . . 4282 1 1722 . 1 1 148 148 ARG HG2 H 1 1.57 0.03 . 2 . . . . . . . . 4282 1 1723 . 1 1 148 148 ARG HG3 H 1 1.79 0.03 . 2 . . . . . . . . 4282 1 1724 . 1 1 148 148 ARG CD C 13 43.7 0.12 . 1 . . . . . . . . 4282 1 1725 . 1 1 148 148 ARG HD2 H 1 3.16 0.03 . 2 . . . . . . . . 4282 1 1726 . 1 1 148 148 ARG HD3 H 1 3.22 0.03 . 2 . . . . . . . . 4282 1 1727 . 1 1 148 148 ARG NE N 15 84.5 0.15 . 1 . . . . . . . . 4282 1 1728 . 1 1 148 148 ARG HE H 1 7.51 0.03 . 1 . . . . . . . . 4282 1 1729 . 1 1 148 148 ARG C C 13 173.3 0.12 . 1 . . . . . . . . 4282 1 1730 . 1 1 149 149 PHE N N 15 123.0 0.15 . 1 . . . . . . . . 4282 1 1731 . 1 1 149 149 PHE H H 1 9.68 0.03 . 1 . . . . . . . . 4282 1 1732 . 1 1 149 149 PHE CA C 13 56.5 0.12 . 1 . . . . . . . . 4282 1 1733 . 1 1 149 149 PHE HA H 1 5.07 0.03 . 1 . . . . . . . . 4282 1 1734 . 1 1 149 149 PHE CB C 13 42.8 0.12 . 1 . . . . . . . . 4282 1 1735 . 1 1 149 149 PHE HB2 H 1 2.82 0.03 . 2 . . . . . . . . 4282 1 1736 . 1 1 149 149 PHE HB3 H 1 2.99 0.03 . 2 . . . . . . . . 4282 1 1737 . 1 1 149 149 PHE HD1 H 1 7.30 0.03 . 1 . . . . . . . . 4282 1 1738 . 1 1 149 149 PHE HD2 H 1 7.30 0.03 . 1 . . . . . . . . 4282 1 1739 . 1 1 149 149 PHE HE1 H 1 7.00 0.03 . 1 . . . . . . . . 4282 1 1740 . 1 1 149 149 PHE HE2 H 1 7.00 0.03 . 1 . . . . . . . . 4282 1 1741 . 1 1 149 149 PHE CD1 C 13 132.0 0.12 . 1 . . . . . . . . 4282 1 1742 . 1 1 149 149 PHE CE1 C 13 130.3 0.12 . 1 . . . . . . . . 4282 1 1743 . 1 1 149 149 PHE CZ C 13 128.8 0.12 . 1 . . . . . . . . 4282 1 1744 . 1 1 149 149 PHE HZ H 1 6.91 0.03 . 1 . . . . . . . . 4282 1 1745 . 1 1 149 149 PHE CE2 C 13 130.3 0.12 . 1 . . . . . . . . 4282 1 1746 . 1 1 149 149 PHE CD2 C 13 132.0 0.12 . 1 . . . . . . . . 4282 1 1747 . 1 1 149 149 PHE C C 13 174.4 0.12 . 1 . . . . . . . . 4282 1 1748 . 1 1 150 150 HIS N N 15 120.1 0.15 . 1 . . . . . . . . 4282 1 1749 . 1 1 150 150 HIS H H 1 8.85 0.03 . 1 . . . . . . . . 4282 1 1750 . 1 1 150 150 HIS CA C 13 54.9 0.12 . 1 . . . . . . . . 4282 1 1751 . 1 1 150 150 HIS HA H 1 5.49 0.03 . 1 . . . . . . . . 4282 1 1752 . 1 1 150 150 HIS CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 1753 . 1 1 150 150 HIS HB2 H 1 3.22 0.03 . 2 . . . . . . . . 4282 1 1754 . 1 1 150 150 HIS HB3 H 1 3.33 0.03 . 2 . . . . . . . . 4282 1 1755 . 1 1 150 150 HIS CD2 C 13 119.3 0.12 . 1 . . . . . . . . 4282 1 1756 . 1 1 150 150 HIS CE1 C 13 138.6 0.12 . 1 . . . . . . . . 4282 1 1757 . 1 1 150 150 HIS HD2 H 1 6.64 0.03 . 1 . . . . . . . . 4282 1 1758 . 1 1 150 150 HIS HE1 H 1 7.81 0.03 . 1 . . . . . . . . 4282 1 1759 . 1 1 150 150 HIS C C 13 175.5 0.12 . 1 . . . . . . . . 4282 1 1760 . 1 1 151 151 SER N N 15 120.6 0.15 . 1 . . . . . . . . 4282 1 1761 . 1 1 151 151 SER H H 1 9.40 0.03 . 1 . . . . . . . . 4282 1 1762 . 1 1 151 151 SER CA C 13 56.2 0.12 . 1 . . . . . . . . 4282 1 1763 . 1 1 151 151 SER HA H 1 5.66 0.03 . 1 . . . . . . . . 4282 1 1764 . 1 1 151 151 SER CB C 13 63.0 0.12 . 1 . . . . . . . . 4282 1 1765 . 1 1 151 151 SER HB2 H 1 3.88 0.03 . 2 . . . . . . . . 4282 1 1766 . 1 1 151 151 SER HB3 H 1 4.52 0.03 . 2 . . . . . . . . 4282 1 1767 . 1 1 152 152 PRO CD C 13 50.3 0.12 . 1 . . . . . . . . 4282 1 1768 . 1 1 152 152 PRO CA C 13 62.8 0.12 . 1 . . . . . . . . 4282 1 1769 . 1 1 152 152 PRO HA H 1 4.69 0.03 . 1 . . . . . . . . 4282 1 1770 . 1 1 152 152 PRO CB C 13 34.3 0.12 . 1 . . . . . . . . 4282 1 1771 . 1 1 152 152 PRO HB2 H 1 2.18 0.03 . 2 . . . . . . . . 4282 1 1772 . 1 1 152 152 PRO HB3 H 1 2.37 0.03 . 2 . . . . . . . . 4282 1 1773 . 1 1 152 152 PRO CG C 13 25.0 0.12 . 1 . . . . . . . . 4282 1 1774 . 1 1 152 152 PRO HG2 H 1 1.84 0.03 . 2 . . . . . . . . 4282 1 1775 . 1 1 152 152 PRO HG3 H 1 1.97 0.03 . 2 . . . . . . . . 4282 1 1776 . 1 1 152 152 PRO HD2 H 1 3.51 0.03 . 2 . . . . . . . . 4282 1 1777 . 1 1 152 152 PRO HD3 H 1 3.59 0.03 . 2 . . . . . . . . 4282 1 1778 . 1 1 153 153 PRO CD C 13 49.4 0.12 . 1 . . . . . . . . 4282 1 1779 . 1 1 153 153 PRO CA C 13 62.8 0.12 . 1 . . . . . . . . 4282 1 1780 . 1 1 153 153 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 4282 1 1781 . 1 1 153 153 PRO CB C 13 32.1 0.12 . 1 . . . . . . . . 4282 1 1782 . 1 1 153 153 PRO HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4282 1 1783 . 1 1 153 153 PRO HB3 H 1 2.55 0.03 . 2 . . . . . . . . 4282 1 1784 . 1 1 153 153 PRO CG C 13 26.7 0.12 . 1 . . . . . . . . 4282 1 1785 . 1 1 153 153 PRO HG2 H 1 2.09 0.03 . 1 . . . . . . . . 4282 1 1786 . 1 1 153 153 PRO HG3 H 1 2.09 0.03 . 1 . . . . . . . . 4282 1 1787 . 1 1 153 153 PRO HD2 H 1 3.29 0.03 . 2 . . . . . . . . 4282 1 1788 . 1 1 153 153 PRO HD3 H 1 3.46 0.03 . 2 . . . . . . . . 4282 1 1789 . 1 1 153 153 PRO C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 1790 . 1 1 154 154 ASP N N 15 121.6 0.15 . 1 . . . . . . . . 4282 1 1791 . 1 1 154 154 ASP H H 1 8.42 0.03 . 1 . . . . . . . . 4282 1 1792 . 1 1 154 154 ASP CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 1793 . 1 1 154 154 ASP HA H 1 4.57 0.03 . 1 . . . . . . . . 4282 1 1794 . 1 1 154 154 ASP CB C 13 41.2 0.12 . 1 . . . . . . . . 4282 1 1795 . 1 1 154 154 ASP HB2 H 1 2.61 0.03 . 2 . . . . . . . . 4282 1 1796 . 1 1 154 154 ASP HB3 H 1 2.72 0.03 . 2 . . . . . . . . 4282 1 1797 . 1 1 154 154 ASP C C 13 176.5 0.12 . 1 . . . . . . . . 4282 1 1798 . 1 1 155 155 LYS N N 15 121.5 0.15 . 1 . . . . . . . . 4282 1 1799 . 1 1 155 155 LYS H H 1 8.26 0.03 . 1 . . . . . . . . 4282 1 1800 . 1 1 155 155 LYS CA C 13 56.6 0.12 . 1 . . . . . . . . 4282 1 1801 . 1 1 155 155 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 4282 1 1802 . 1 1 155 155 LYS CB C 13 33.2 0.12 . 1 . . . . . . . . 4282 1 1803 . 1 1 155 155 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4282 1 1804 . 1 1 155 155 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4282 1 1805 . 1 1 155 155 LYS CG C 13 24.8 0.12 . 1 . . . . . . . . 4282 1 1806 . 1 1 155 155 LYS HG2 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 1807 . 1 1 155 155 LYS HG3 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 1808 . 1 1 155 155 LYS CD C 13 29.1 0.12 . 1 . . . . . . . . 4282 1 1809 . 1 1 155 155 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 4282 1 1810 . 1 1 155 155 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 4282 1 1811 . 1 1 155 155 LYS CE C 13 42.1 0.12 . 1 . . . . . . . . 4282 1 1812 . 1 1 155 155 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 1813 . 1 1 155 155 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 1814 . 1 1 155 155 LYS C C 13 176.4 0.12 . 1 . . . . . . . . 4282 1 1815 . 1 1 156 156 ASP N N 15 121.6 0.15 . 1 . . . . . . . . 4282 1 1816 . 1 1 156 156 ASP H H 1 8.41 0.03 . 1 . . . . . . . . 4282 1 1817 . 1 1 156 156 ASP CA C 13 54.6 0.12 . 1 . . . . . . . . 4282 1 1818 . 1 1 156 156 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 1819 . 1 1 156 156 ASP CB C 13 41.1 0.12 . 1 . . . . . . . . 4282 1 1820 . 1 1 156 156 ASP HB2 H 1 2.58 0.03 . 1 . . . . . . . . 4282 1 1821 . 1 1 156 156 ASP HB3 H 1 2.58 0.03 . 1 . . . . . . . . 4282 1 1822 . 1 1 156 156 ASP C C 13 176.5 0.12 . 1 . . . . . . . . 4282 1 1823 . 1 1 157 157 GLU N N 15 121.8 0.15 . 1 . . . . . . . . 4282 1 1824 . 1 1 157 157 GLU H H 1 8.26 0.03 . 1 . . . . . . . . 4282 1 1825 . 1 1 157 157 GLU CA C 13 56.5 0.12 . 1 . . . . . . . . 4282 1 1826 . 1 1 157 157 GLU HA H 1 4.25 0.03 . 1 . . . . . . . . 4282 1 1827 . 1 1 157 157 GLU CB C 13 30.3 0.12 . 1 . . . . . . . . 4282 1 1828 . 1 1 157 157 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 4282 1 1829 . 1 1 157 157 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4282 1 1830 . 1 1 157 157 GLU CG C 13 36.2 0.12 . 1 . . . . . . . . 4282 1 1831 . 1 1 157 157 GLU HG2 H 1 2.25 0.03 . 1 . . . . . . . . 4282 1 1832 . 1 1 157 157 GLU HG3 H 1 2.25 0.03 . 1 . . . . . . . . 4282 1 1833 . 1 1 157 157 GLU C C 13 176.4 0.12 . 1 . . . . . . . . 4282 1 1834 . 1 1 158 158 ALA N N 15 124.8 0.15 . 1 . . . . . . . . 4282 1 1835 . 1 1 158 158 ALA H H 1 8.28 0.03 . 1 . . . . . . . . 4282 1 1836 . 1 1 158 158 ALA CA C 13 52.6 0.12 . 1 . . . . . . . . 4282 1 1837 . 1 1 158 158 ALA HA H 1 4.29 0.03 . 1 . . . . . . . . 4282 1 1838 . 1 1 158 158 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 1839 . 1 1 158 158 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 1840 . 1 1 158 158 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4282 1 1841 . 1 1 158 158 ALA CB C 13 19.2 0.12 . 1 . . . . . . . . 4282 1 1842 . 1 1 158 158 ALA C C 13 177.9 0.12 . 1 . . . . . . . . 4282 1 1843 . 1 1 159 159 GLU N N 15 120.0 0.15 . 1 . . . . . . . . 4282 1 1844 . 1 1 159 159 GLU H H 1 8.24 0.03 . 1 . . . . . . . . 4282 1 1845 . 1 1 159 159 GLU CA C 13 56.1 0.12 . 1 . . . . . . . . 4282 1 1846 . 1 1 159 159 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 4282 1 1847 . 1 1 159 159 GLU CB C 13 30.3 0.12 . 1 . . . . . . . . 4282 1 1848 . 1 1 159 159 GLU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4282 1 1849 . 1 1 159 159 GLU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4282 1 1850 . 1 1 159 159 GLU CG C 13 36.3 0.12 . 1 . . . . . . . . 4282 1 1851 . 1 1 159 159 GLU HG2 H 1 2.25 0.03 . 1 . . . . . . . . 4282 1 1852 . 1 1 159 159 GLU HG3 H 1 2.25 0.03 . 1 . . . . . . . . 4282 1 1853 . 1 1 159 159 GLU C C 13 176.0 0.12 . 1 . . . . . . . . 4282 1 1854 . 1 1 160 160 ALA N N 15 126.8 0.15 . 1 . . . . . . . . 4282 1 1855 . 1 1 160 160 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 4282 1 1856 . 1 1 160 160 ALA CA C 13 50.7 0.12 . 1 . . . . . . . . 4282 1 1857 . 1 1 160 160 ALA HA H 1 4.60 0.03 . 1 . . . . . . . . 4282 1 1858 . 1 1 160 160 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 1859 . 1 1 160 160 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 1860 . 1 1 160 160 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 4282 1 1861 . 1 1 160 160 ALA CB C 13 18.3 0.12 . 1 . . . . . . . . 4282 1 1862 . 1 1 161 161 PRO CD C 13 50.6 0.12 . 1 . . . . . . . . 4282 1 1863 . 1 1 161 161 PRO CA C 13 63.4 0.12 . 1 . . . . . . . . 4282 1 1864 . 1 1 161 161 PRO HA H 1 4.45 0.03 . 1 . . . . . . . . 4282 1 1865 . 1 1 161 161 PRO CB C 13 32.2 0.12 . 1 . . . . . . . . 4282 1 1866 . 1 1 161 161 PRO HB2 H 1 1.94 0.03 . 2 . . . . . . . . 4282 1 1867 . 1 1 161 161 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 4282 1 1868 . 1 1 161 161 PRO CG C 13 27.6 0.12 . 1 . . . . . . . . 4282 1 1869 . 1 1 161 161 PRO HG2 H 1 2.05 0.03 . 1 . . . . . . . . 4282 1 1870 . 1 1 161 161 PRO HG3 H 1 2.05 0.03 . 1 . . . . . . . . 4282 1 1871 . 1 1 161 161 PRO HD2 H 1 3.68 0.03 . 2 . . . . . . . . 4282 1 1872 . 1 1 161 161 PRO HD3 H 1 3.82 0.03 . 2 . . . . . . . . 4282 1 1873 . 1 1 161 161 PRO C C 13 177.3 0.12 . 1 . . . . . . . . 4282 1 1874 . 1 1 162 162 SER N N 15 115.9 0.15 . 1 . . . . . . . . 4282 1 1875 . 1 1 162 162 SER H H 1 8.38 0.03 . 1 . . . . . . . . 4282 1 1876 . 1 1 162 162 SER CA C 13 58.5 0.12 . 1 . . . . . . . . 4282 1 1877 . 1 1 162 162 SER HA H 1 4.40 0.03 . 1 . . . . . . . . 4282 1 1878 . 1 1 162 162 SER CB C 13 63.7 0.12 . 1 . . . . . . . . 4282 1 1879 . 1 1 162 162 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 4282 1 1880 . 1 1 162 162 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 4282 1 1881 . 1 1 162 162 SER C C 13 174.9 0.12 . 1 . . . . . . . . 4282 1 1882 . 1 1 163 163 GLN N N 15 122.1 0.15 . 1 . . . . . . . . 4282 1 1883 . 1 1 163 163 GLN H H 1 8.38 0.03 . 1 . . . . . . . . 4282 1 1884 . 1 1 163 163 GLN CA C 13 55.7 0.12 . 1 . . . . . . . . 4282 1 1885 . 1 1 163 163 GLN HA H 1 4.37 0.03 . 1 . . . . . . . . 4282 1 1886 . 1 1 163 163 GLN CB C 13 29.6 0.12 . 1 . . . . . . . . 4282 1 1887 . 1 1 163 163 GLN HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4282 1 1888 . 1 1 163 163 GLN HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4282 1 1889 . 1 1 163 163 GLN CG C 13 34.0 0.12 . 1 . . . . . . . . 4282 1 1890 . 1 1 163 163 GLN HG2 H 1 2.35 0.03 . 1 . . . . . . . . 4282 1 1891 . 1 1 163 163 GLN HG3 H 1 2.35 0.03 . 1 . . . . . . . . 4282 1 1892 . 1 1 163 163 GLN CD C 13 180.6 0.12 . 1 . . . . . . . . 4282 1 1893 . 1 1 163 163 GLN NE2 N 15 112.8 0.15 . 1 . . . . . . . . 4282 1 1894 . 1 1 163 163 GLN HE21 H 1 6.88 0.03 . 2 . . . . . . . . 4282 1 1895 . 1 1 163 163 GLN HE22 H 1 7.54 0.03 . 2 . . . . . . . . 4282 1 1896 . 1 1 163 163 GLN C C 13 175.9 0.12 . 1 . . . . . . . . 4282 1 1897 . 1 1 164 164 LYS N N 15 122.8 0.15 . 1 . . . . . . . . 4282 1 1898 . 1 1 164 164 LYS H H 1 8.28 0.03 . 1 . . . . . . . . 4282 1 1899 . 1 1 164 164 LYS CA C 13 56.3 0.12 . 1 . . . . . . . . 4282 1 1900 . 1 1 164 164 LYS HA H 1 4.30 0.03 . 1 . . . . . . . . 4282 1 1901 . 1 1 164 164 LYS CB C 13 32.8 0.12 . 1 . . . . . . . . 4282 1 1902 . 1 1 164 164 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4282 1 1903 . 1 1 164 164 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4282 1 1904 . 1 1 164 164 LYS CG C 13 24.9 0.12 . 1 . . . . . . . . 4282 1 1905 . 1 1 164 164 LYS HG2 H 1 1.46 0.03 . 1 . . . . . . . . 4282 1 1906 . 1 1 164 164 LYS HG3 H 1 1.46 0.03 . 1 . . . . . . . . 4282 1 1907 . 1 1 164 164 LYS CE C 13 42.2 0.12 . 1 . . . . . . . . 4282 1 1908 . 1 1 164 164 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 1909 . 1 1 164 164 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 1910 . 1 1 164 164 LYS C C 13 175.9 0.12 . 1 . . . . . . . . 4282 1 1911 . 1 1 165 165 VAL N N 15 122.1 0.15 . 1 . . . . . . . . 4282 1 1912 . 1 1 165 165 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 4282 1 1913 . 1 1 165 165 VAL CA C 13 62.3 0.12 . 1 . . . . . . . . 4282 1 1914 . 1 1 165 165 VAL HA H 1 4.21 0.03 . 1 . . . . . . . . 4282 1 1915 . 1 1 165 165 VAL CB C 13 32.9 0.12 . 1 . . . . . . . . 4282 1 1916 . 1 1 165 165 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4282 1 1917 . 1 1 165 165 VAL HG11 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1918 . 1 1 165 165 VAL HG12 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1919 . 1 1 165 165 VAL HG13 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1920 . 1 1 165 165 VAL HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1921 . 1 1 165 165 VAL HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1922 . 1 1 165 165 VAL HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4282 1 1923 . 1 1 165 165 VAL CG1 C 13 20.8 0.12 . 1 . . . . . . . . 4282 1 1924 . 1 1 165 165 VAL CG2 C 13 20.8 0.12 . 1 . . . . . . . . 4282 1 1925 . 1 1 165 165 VAL C C 13 176.3 0.12 . 1 . . . . . . . . 4282 1 1926 . 1 1 166 166 THR N N 15 118.9 0.15 . 1 . . . . . . . . 4282 1 1927 . 1 1 166 166 THR H H 1 8.26 0.03 . 1 . . . . . . . . 4282 1 1928 . 1 1 166 166 THR CA C 13 61.8 0.12 . 1 . . . . . . . . 4282 1 1929 . 1 1 166 166 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 4282 1 1930 . 1 1 166 166 THR CB C 13 69.8 0.12 . 1 . . . . . . . . 4282 1 1931 . 1 1 166 166 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 4282 1 1932 . 1 1 166 166 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4282 1 1933 . 1 1 166 166 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4282 1 1934 . 1 1 166 166 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4282 1 1935 . 1 1 166 166 THR CG2 C 13 21.7 0.12 . 1 . . . . . . . . 4282 1 1936 . 1 1 166 166 THR C C 13 174.5 0.12 . 1 . . . . . . . . 4282 1 1937 . 1 1 167 167 VAL N N 15 123.4 0.15 . 1 . . . . . . . . 4282 1 1938 . 1 1 167 167 VAL H H 1 8.26 0.03 . 1 . . . . . . . . 4282 1 1939 . 1 1 167 167 VAL CA C 13 62.3 0.12 . 1 . . . . . . . . 4282 1 1940 . 1 1 167 167 VAL HA H 1 4.18 0.03 . 1 . . . . . . . . 4282 1 1941 . 1 1 167 167 VAL CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 1942 . 1 1 167 167 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4282 1 1943 . 1 1 167 167 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1944 . 1 1 167 167 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1945 . 1 1 167 167 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1946 . 1 1 167 167 VAL HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1947 . 1 1 167 167 VAL HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1948 . 1 1 167 167 VAL HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4282 1 1949 . 1 1 167 167 VAL CG1 C 13 20.7 0.12 . 1 . . . . . . . . 4282 1 1950 . 1 1 167 167 VAL CG2 C 13 20.7 0.12 . 1 . . . . . . . . 4282 1 1951 . 1 1 167 167 VAL C C 13 176.3 0.12 . 1 . . . . . . . . 4282 1 1952 . 1 1 168 168 THR N N 15 119.5 0.15 . 1 . . . . . . . . 4282 1 1953 . 1 1 168 168 THR H H 1 8.32 0.03 . 1 . . . . . . . . 4282 1 1954 . 1 1 168 168 THR CA C 13 61.9 0.12 . 1 . . . . . . . . 4282 1 1955 . 1 1 168 168 THR HA H 1 4.34 0.03 . 1 . . . . . . . . 4282 1 1956 . 1 1 168 168 THR CB C 13 69.8 0.12 . 1 . . . . . . . . 4282 1 1957 . 1 1 168 168 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 4282 1 1958 . 1 1 168 168 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 4282 1 1959 . 1 1 168 168 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 4282 1 1960 . 1 1 168 168 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 4282 1 1961 . 1 1 168 168 THR CG2 C 13 21.7 0.12 . 1 . . . . . . . . 4282 1 1962 . 1 1 168 168 THR C C 13 174.5 0.12 . 1 . . . . . . . . 4282 1 1963 . 1 1 169 169 LYS N N 15 124.3 0.15 . 1 . . . . . . . . 4282 1 1964 . 1 1 169 169 LYS H H 1 8.37 0.03 . 1 . . . . . . . . 4282 1 1965 . 1 1 169 169 LYS CA C 13 56.4 0.12 . 1 . . . . . . . . 4282 1 1966 . 1 1 169 169 LYS HA H 1 4.33 0.03 . 1 . . . . . . . . 4282 1 1967 . 1 1 169 169 LYS CB C 13 32.8 0.12 . 1 . . . . . . . . 4282 1 1968 . 1 1 169 169 LYS HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4282 1 1969 . 1 1 169 169 LYS HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4282 1 1970 . 1 1 169 169 LYS CG C 13 25.1 0.12 . 1 . . . . . . . . 4282 1 1971 . 1 1 169 169 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 4282 1 1972 . 1 1 169 169 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4282 1 1973 . 1 1 169 169 LYS CD C 13 29.1 0.12 . 1 . . . . . . . . 4282 1 1974 . 1 1 169 169 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 1975 . 1 1 169 169 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4282 1 1976 . 1 1 169 169 LYS CE C 13 42.3 0.12 . 1 . . . . . . . . 4282 1 1977 . 1 1 169 169 LYS HE2 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1978 . 1 1 169 169 LYS HE3 H 1 2.98 0.03 . 1 . . . . . . . . 4282 1 1979 . 1 1 169 169 LYS C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 1980 . 1 1 170 170 LEU N N 15 123.2 0.15 . 1 . . . . . . . . 4282 1 1981 . 1 1 170 170 LEU H H 1 8.25 0.03 . 1 . . . . . . . . 4282 1 1982 . 1 1 170 170 LEU CA C 13 55.5 0.12 . 1 . . . . . . . . 4282 1 1983 . 1 1 170 170 LEU HA H 1 4.34 0.03 . 1 . . . . . . . . 4282 1 1984 . 1 1 170 170 LEU CB C 13 42.5 0.12 . 1 . . . . . . . . 4282 1 1985 . 1 1 170 170 LEU HB2 H 1 1.61 0.03 . 1 . . . . . . . . 4282 1 1986 . 1 1 170 170 LEU HB3 H 1 1.61 0.03 . 1 . . . . . . . . 4282 1 1987 . 1 1 170 170 LEU CG C 13 27.3 0.12 . 1 . . . . . . . . 4282 1 1988 . 1 1 170 170 LEU HG H 1 1.65 0.03 . 1 . . . . . . . . 4282 1 1989 . 1 1 170 170 LEU HD11 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1990 . 1 1 170 170 LEU HD12 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1991 . 1 1 170 170 LEU HD13 H 1 0.89 0.03 . 2 . . . . . . . . 4282 1 1992 . 1 1 170 170 LEU HD21 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1993 . 1 1 170 170 LEU HD22 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1994 . 1 1 170 170 LEU HD23 H 1 0.94 0.03 . 2 . . . . . . . . 4282 1 1995 . 1 1 170 170 LEU CD1 C 13 23.5 0.12 . 1 . . . . . . . . 4282 1 1996 . 1 1 170 170 LEU CD2 C 13 25.1 0.12 . 1 . . . . . . . . 4282 1 1997 . 1 1 170 170 LEU C C 13 178.1 0.12 . 1 . . . . . . . . 4282 1 1998 . 1 1 171 171 GLY N N 15 109.8 0.15 . 1 . . . . . . . . 4282 1 1999 . 1 1 171 171 GLY H H 1 8.39 0.03 . 1 . . . . . . . . 4282 1 2000 . 1 1 171 171 GLY CA C 13 45.4 0.12 . 1 . . . . . . . . 4282 1 2001 . 1 1 171 171 GLY HA2 H 1 3.90 0.03 . 1 . . . . . . . . 4282 1 2002 . 1 1 171 171 GLY HA3 H 1 3.90 0.03 . 1 . . . . . . . . 4282 1 2003 . 1 1 171 171 GLY C C 13 174.3 0.12 . 1 . . . . . . . . 4282 1 2004 . 1 1 172 172 GLN N N 15 119.8 0.15 . 1 . . . . . . . . 4282 1 2005 . 1 1 172 172 GLN H H 1 8.10 0.03 . 1 . . . . . . . . 4282 1 2006 . 1 1 172 172 GLN CA C 13 55.9 0.12 . 1 . . . . . . . . 4282 1 2007 . 1 1 172 172 GLN HA H 1 4.26 0.03 . 1 . . . . . . . . 4282 1 2008 . 1 1 172 172 GLN CB C 13 29.6 0.12 . 1 . . . . . . . . 4282 1 2009 . 1 1 172 172 GLN HB2 H 1 1.90 0.03 . 2 . . . . . . . . 4282 1 2010 . 1 1 172 172 GLN HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4282 1 2011 . 1 1 172 172 GLN CG C 13 33.8 0.12 . 1 . . . . . . . . 4282 1 2012 . 1 1 172 172 GLN HG2 H 1 2.18 0.03 . 1 . . . . . . . . 4282 1 2013 . 1 1 172 172 GLN HG3 H 1 2.18 0.03 . 1 . . . . . . . . 4282 1 2014 . 1 1 172 172 GLN CD C 13 180.5 0.12 . 1 . . . . . . . . 4282 1 2015 . 1 1 172 172 GLN NE2 N 15 112.7 0.15 . 1 . . . . . . . . 4282 1 2016 . 1 1 172 172 GLN HE21 H 1 6.86 0.03 . 2 . . . . . . . . 4282 1 2017 . 1 1 172 172 GLN HE22 H 1 7.46 0.03 . 2 . . . . . . . . 4282 1 2018 . 1 1 172 172 GLN C C 13 175.7 0.12 . 1 . . . . . . . . 4282 1 2019 . 1 1 173 173 PHE N N 15 121.1 0.15 . 1 . . . . . . . . 4282 1 2020 . 1 1 173 173 PHE H H 1 8.23 0.03 . 1 . . . . . . . . 4282 1 2021 . 1 1 173 173 PHE CA C 13 57.7 0.12 . 1 . . . . . . . . 4282 1 2022 . 1 1 173 173 PHE HA H 1 4.66 0.03 . 1 . . . . . . . . 4282 1 2023 . 1 1 173 173 PHE CB C 13 39.7 0.12 . 1 . . . . . . . . 4282 1 2024 . 1 1 173 173 PHE HB2 H 1 3.01 0.03 . 2 . . . . . . . . 4282 1 2025 . 1 1 173 173 PHE HB3 H 1 3.15 0.03 . 2 . . . . . . . . 4282 1 2026 . 1 1 173 173 PHE HD1 H 1 7.25 0.03 . 1 . . . . . . . . 4282 1 2027 . 1 1 173 173 PHE HD2 H 1 7.25 0.03 . 1 . . . . . . . . 4282 1 2028 . 1 1 173 173 PHE HE1 H 1 7.29 0.03 . 1 . . . . . . . . 4282 1 2029 . 1 1 173 173 PHE HE2 H 1 7.29 0.03 . 1 . . . . . . . . 4282 1 2030 . 1 1 173 173 PHE CD1 C 13 131.5 0.12 . 1 . . . . . . . . 4282 1 2031 . 1 1 173 173 PHE CE1 C 13 129.7 0.12 . 1 . . . . . . . . 4282 1 2032 . 1 1 173 173 PHE CZ C 13 131.5 0.12 . 1 . . . . . . . . 4282 1 2033 . 1 1 173 173 PHE HZ H 1 7.33 0.03 . 1 . . . . . . . . 4282 1 2034 . 1 1 173 173 PHE CE2 C 13 129.7 0.12 . 1 . . . . . . . . 4282 1 2035 . 1 1 173 173 PHE CD2 C 13 131.5 0.12 . 1 . . . . . . . . 4282 1 2036 . 1 1 173 173 PHE C C 13 175.5 0.12 . 1 . . . . . . . . 4282 1 2037 . 1 1 174 174 ARG N N 15 123.2 0.15 . 1 . . . . . . . . 4282 1 2038 . 1 1 174 174 ARG H H 1 8.14 0.03 . 1 . . . . . . . . 4282 1 2039 . 1 1 174 174 ARG CA C 13 55.8 0.12 . 1 . . . . . . . . 4282 1 2040 . 1 1 174 174 ARG HA H 1 4.37 0.03 . 1 . . . . . . . . 4282 1 2041 . 1 1 174 174 ARG CB C 13 31.3 0.12 . 1 . . . . . . . . 4282 1 2042 . 1 1 174 174 ARG HB2 H 1 1.71 0.03 . 2 . . . . . . . . 4282 1 2043 . 1 1 174 174 ARG HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4282 1 2044 . 1 1 174 174 ARG CG C 13 27.1 0.12 . 1 . . . . . . . . 4282 1 2045 . 1 1 174 174 ARG HG2 H 1 1.56 0.03 . 1 . . . . . . . . 4282 1 2046 . 1 1 174 174 ARG HG3 H 1 1.56 0.03 . 1 . . . . . . . . 4282 1 2047 . 1 1 174 174 ARG CD C 13 43.6 0.12 . 1 . . . . . . . . 4282 1 2048 . 1 1 174 174 ARG HD2 H 1 3.18 0.03 . 1 . . . . . . . . 4282 1 2049 . 1 1 174 174 ARG HD3 H 1 3.18 0.03 . 1 . . . . . . . . 4282 1 2050 . 1 1 174 174 ARG C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 2051 . 1 1 175 175 VAL N N 15 122.1 0.15 . 1 . . . . . . . . 4282 1 2052 . 1 1 175 175 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 4282 1 2053 . 1 1 175 175 VAL CA C 13 62.5 0.12 . 1 . . . . . . . . 4282 1 2054 . 1 1 175 175 VAL HA H 1 4.07 0.03 . 1 . . . . . . . . 4282 1 2055 . 1 1 175 175 VAL CB C 13 32.7 0.12 . 1 . . . . . . . . 4282 1 2056 . 1 1 175 175 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 4282 1 2057 . 1 1 175 175 VAL HG11 H 1 0.93 0.03 . 2 . . . . . . . . 4282 1 2058 . 1 1 175 175 VAL HG12 H 1 0.93 0.03 . 2 . . . . . . . . 4282 1 2059 . 1 1 175 175 VAL HG13 H 1 0.93 0.03 . 2 . . . . . . . . 4282 1 2060 . 1 1 175 175 VAL HG21 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 2061 . 1 1 175 175 VAL HG22 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 2062 . 1 1 175 175 VAL HG23 H 1 0.95 0.03 . 2 . . . . . . . . 4282 1 2063 . 1 1 175 175 VAL CG1 C 13 20.9 0.12 . 1 . . . . . . . . 4282 1 2064 . 1 1 175 175 VAL CG2 C 13 21.7 0.12 . 1 . . . . . . . . 4282 1 2065 . 1 1 175 175 VAL C C 13 176.2 0.12 . 1 . . . . . . . . 4282 1 2066 . 1 1 176 176 LYS N N 15 125.5 0.15 . 1 . . . . . . . . 4282 1 2067 . 1 1 176 176 LYS H H 1 8.38 0.03 . 1 . . . . . . . . 4282 1 2068 . 1 1 176 176 LYS CA C 13 56.3 0.12 . 1 . . . . . . . . 4282 1 2069 . 1 1 176 176 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 4282 1 2070 . 1 1 176 176 LYS CB C 13 32.9 0.12 . 1 . . . . . . . . 4282 1 2071 . 1 1 176 176 LYS HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4282 1 2072 . 1 1 176 176 LYS HB3 H 1 1.76 0.03 . 1 . . . . . . . . 4282 1 2073 . 1 1 176 176 LYS CG C 13 24.7 0.12 . 1 . . . . . . . . 4282 1 2074 . 1 1 176 176 LYS HG2 H 1 1.41 0.03 . 1 . . . . . . . . 4282 1 2075 . 1 1 176 176 LYS HG3 H 1 1.41 0.03 . 1 . . . . . . . . 4282 1 2076 . 1 1 176 176 LYS CD C 13 29.1 0.12 . 1 . . . . . . . . 4282 1 2077 . 1 1 176 176 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 4282 1 2078 . 1 1 176 176 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 4282 1 2079 . 1 1 176 176 LYS CE C 13 42.2 0.12 . 1 . . . . . . . . 4282 1 2080 . 1 1 176 176 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 2081 . 1 1 176 176 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4282 1 2082 . 1 1 176 176 LYS C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 2083 . 1 1 177 177 GLU N N 15 123.1 0.15 . 1 . . . . . . . . 4282 1 2084 . 1 1 177 177 GLU H H 1 8.55 0.03 . 1 . . . . . . . . 4282 1 2085 . 1 1 177 177 GLU CA C 13 56.6 0.12 . 1 . . . . . . . . 4282 1 2086 . 1 1 177 177 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 4282 1 2087 . 1 1 177 177 GLU CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 2088 . 1 1 177 177 GLU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4282 1 2089 . 1 1 177 177 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4282 1 2090 . 1 1 177 177 GLU CG C 13 36.5 0.12 . 1 . . . . . . . . 4282 1 2091 . 1 1 177 177 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2092 . 1 1 177 177 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2093 . 1 1 177 177 GLU C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 2094 . 1 1 178 178 GLU N N 15 121.5 0.15 . 1 . . . . . . . . 4282 1 2095 . 1 1 178 178 GLU H H 1 8.43 0.03 . 1 . . . . . . . . 4282 1 2096 . 1 1 178 178 GLU CA C 13 56.5 0.12 . 1 . . . . . . . . 4282 1 2097 . 1 1 178 178 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 4282 1 2098 . 1 1 178 178 GLU CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 2099 . 1 1 178 178 GLU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4282 1 2100 . 1 1 178 178 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4282 1 2101 . 1 1 178 178 GLU CG C 13 36.3 0.12 . 1 . . . . . . . . 4282 1 2102 . 1 1 178 178 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2103 . 1 1 178 178 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2104 . 1 1 178 178 GLU C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 2105 . 1 1 179 179 GLU N N 15 122.0 0.15 . 1 . . . . . . . . 4282 1 2106 . 1 1 179 179 GLU H H 1 8.38 0.03 . 1 . . . . . . . . 4282 1 2107 . 1 1 179 179 GLU CA C 13 56.4 0.12 . 1 . . . . . . . . 4282 1 2108 . 1 1 179 179 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 4282 1 2109 . 1 1 179 179 GLU CB C 13 30.2 0.12 . 1 . . . . . . . . 4282 1 2110 . 1 1 179 179 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 4282 1 2111 . 1 1 179 179 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4282 1 2112 . 1 1 179 179 GLU CG C 13 36.3 0.12 . 1 . . . . . . . . 4282 1 2113 . 1 1 179 179 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2114 . 1 1 179 179 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2115 . 1 1 179 179 GLU C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 2116 . 1 1 180 180 GLU N N 15 122.4 0.15 . 1 . . . . . . . . 4282 1 2117 . 1 1 180 180 GLU H H 1 8.45 0.03 . 1 . . . . . . . . 4282 1 2118 . 1 1 180 180 GLU CA C 13 56.5 0.12 . 1 . . . . . . . . 4282 1 2119 . 1 1 180 180 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 4282 1 2120 . 1 1 180 180 GLU CB C 13 30.1 0.12 . 1 . . . . . . . . 4282 1 2121 . 1 1 180 180 GLU HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4282 1 2122 . 1 1 180 180 GLU HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4282 1 2123 . 1 1 180 180 GLU CG C 13 36.6 0.12 . 1 . . . . . . . . 4282 1 2124 . 1 1 180 180 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2125 . 1 1 180 180 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4282 1 2126 . 1 1 180 180 GLU C C 13 176.6 0.12 . 1 . . . . . . . . 4282 1 2127 . 1 1 181 181 SER N N 15 117.2 0.15 . 1 . . . . . . . . 4282 1 2128 . 1 1 181 181 SER H H 1 8.34 0.03 . 1 . . . . . . . . 4282 1 2129 . 1 1 181 181 SER CA C 13 58.2 0.12 . 1 . . . . . . . . 4282 1 2130 . 1 1 181 181 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 4282 1 2131 . 1 1 181 181 SER CB C 13 63.8 0.12 . 1 . . . . . . . . 4282 1 2132 . 1 1 181 181 SER HB2 H 1 3.86 0.03 . 1 . . . . . . . . 4282 1 2133 . 1 1 181 181 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 4282 1 2134 . 1 1 181 181 SER C C 13 174.2 0.12 . 1 . . . . . . . . 4282 1 2135 . 1 1 182 182 ALA N N 15 126.8 0.15 . 1 . . . . . . . . 4282 1 2136 . 1 1 182 182 ALA H H 1 8.35 0.03 . 1 . . . . . . . . 4282 1 2137 . 1 1 182 182 ALA CA C 13 52.5 0.12 . 1 . . . . . . . . 4282 1 2138 . 1 1 182 182 ALA HA H 1 4.38 0.03 . 1 . . . . . . . . 4282 1 2139 . 1 1 182 182 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 2140 . 1 1 182 182 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 2141 . 1 1 182 182 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4282 1 2142 . 1 1 182 182 ALA CB C 13 19.4 0.12 . 1 . . . . . . . . 4282 1 2143 . 1 1 182 182 ALA C C 13 176.7 0.12 . 1 . . . . . . . . 4282 1 2144 . 1 1 183 183 ASN N N 15 123.4 0.15 . 1 . . . . . . . . 4282 1 2145 . 1 1 183 183 ASN H H 1 7.97 0.03 . 1 . . . . . . . . 4282 1 2146 . 1 1 183 183 ASN CA C 13 54.7 0.12 . 1 . . . . . . . . 4282 1 2147 . 1 1 183 183 ASN HA H 1 4.47 0.03 . 1 . . . . . . . . 4282 1 2148 . 1 1 183 183 ASN CB C 13 40.4 0.12 . 1 . . . . . . . . 4282 1 2149 . 1 1 183 183 ASN HB2 H 1 2.68 0.03 . 1 . . . . . . . . 4282 1 2150 . 1 1 183 183 ASN HB3 H 1 2.68 0.03 . 1 . . . . . . . . 4282 1 2151 . 1 1 183 183 ASN CG C 13 178.4 0.12 . 1 . . . . . . . . 4282 1 2152 . 1 1 183 183 ASN ND2 N 15 113.2 0.15 . 1 . . . . . . . . 4282 1 2153 . 1 1 183 183 ASN HD21 H 1 6.83 0.03 . 2 . . . . . . . . 4282 1 2154 . 1 1 183 183 ASN HD22 H 1 7.50 0.03 . 2 . . . . . . . . 4282 1 stop_ save_