data_6310 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6310 _Entry.Title ; 1H,13C ans 15N assigned chemical shifts and secondary structures for hPPIL1 (peptidylprolyl isomerase -like 1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-30 _Entry.Accession_date 2004-08-31 _Entry.Last_release_date 2005-03-18 _Entry.Original_release_date 2005-03-18 _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 Chao Xu . . . 6310 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6310 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 615 6310 '15N chemical shifts' 159 6310 '1H chemical shifts' 910 6310 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 . . 2005-03-18 2004-08-30 original author . 6310 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6310 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone and side chain assignments of human Peptidylprolyl Isomerase Like 1 (hPPIL1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 2 _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 179 _Citation.Page_last 180 _Citation.Year 2005 _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 Chao Xu . . . 6310 1 2 Yingqi Xu . . . 6310 1 3 Yajun Tang . . . 6310 1 4 Jihui Wu . . . 6310 1 5 Yunyu Shi . . . 6310 1 6 Qiuhua Huang . . . 6310 1 7 Qinghua Zhang . . . 6310 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hPPIL1_monomer _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hPPIL1_monomer _Assembly.Entry_ID 6310 _Assembly.ID 1 _Assembly.Name 'hPPIL1 monomer' _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 6310 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 'hPPIL1 monomer' 1 $hPPIL1_monomer . . . native . . . . . 6310 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hPPIL1 monomer' abbreviation 6310 1 'hPPIL1 monomer' system 6310 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPPIL1_monomer _Entity.Sf_category entity _Entity.Sf_framecode hPPIL1_monomer _Entity.Entry_ID 6310 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Homo sapiens peptidylprolyl isomerase (cyclophilin)-like 1' _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 ; MAAIPPDSWQPPNVYLETSM GIIVLELYWKHAPKTCKNFA ELARRGYYNGTKFHRIIKDF MIQGGDPTGTGRGGASIYGK QFEDELHPDLKFTGAGILAM ANAGPDTNGSQFFVTLAPTQ WLDGKHTIFGRVCQGIGMVN RVGMVETNSQDRPVDDVKII KAYPSGLHHHHHHH ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The monomer protein has 174 amino acids and the last 8 aa belong to his-tag. The protein coded by PPIL1 gene has 166 amino acids. The assignments ended at the 167th LEU, Which is the first aa of the his tag. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15922 . PPIL1/SKIP . . . . . 95.40 203 100.00 100.00 2.96e-119 . . . . 6310 1 2 no PDB 1XWN . "Solution Structure Of Cyclophilin Like 1(Ppil1) And Insights Into Its Interaction With Skip" . . . . . 100.00 174 99.43 99.43 8.06e-126 . . . . 6310 1 3 no PDB 2K7N . "Solution Structure Of The Ppil1 Bound To A Fragment Of Skip" . . . . . 95.40 203 100.00 100.00 2.96e-119 . . . . 6310 1 4 no PDB 2X7K . "The Crystal Structure Of Ppil1 In Complex With Cyclosporine A Suggests A Binding Mode For Skip" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 5 no DBJ BAB23265 . "unnamed protein product [Mus musculus]" . . . . . 95.40 166 98.19 100.00 8.65e-119 . . . . 6310 1 6 no DBJ BAE00661 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.51 156 99.35 100.00 3.75e-110 . . . . 6310 1 7 no DBJ BAE29731 . "unnamed protein product [Mus musculus]" . . . . . 95.40 166 98.19 100.00 8.65e-119 . . . . 6310 1 8 no DBJ BAE30513 . "unnamed protein product [Mus musculus]" . . . . . 95.40 166 98.19 100.00 8.65e-119 . . . . 6310 1 9 no DBJ BAE33862 . "unnamed protein product [Mus musculus]" . . . . . 95.40 166 98.19 100.00 5.23e-119 . . . . 6310 1 10 no GB AAD34119 . "CGI-124 protein [Homo sapiens]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 11 no GB AAH03048 . "Peptidylprolyl isomerase (cyclophilin)-like 1 [Homo sapiens]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 12 no GB AAH58369 . "Peptidylprolyl isomerase (cyclophilin)-like 1 [Mus musculus]" . . . . . 95.40 166 98.19 100.00 8.65e-119 . . . . 6310 1 13 no GB AAH99188 . "Peptidylprolyl isomerase (cyclophilin)-like 1 [Rattus norvegicus]" . . . . . 95.40 166 98.80 100.00 6.37e-119 . . . . 6310 1 14 no GB AAI02397 . "Peptidylprolyl isomerase (cyclophilin)-like 1 [Bos taurus]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 15 no REF NP_001014869 . "peptidyl-prolyl cis-trans isomerase-like 1 [Bos taurus]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 16 no REF NP_001029360 . "peptidyl-prolyl cis-trans isomerase-like 1 [Rattus norvegicus]" . . . . . 95.40 166 98.80 100.00 6.37e-119 . . . . 6310 1 17 no REF NP_001233365 . "peptidyl-prolyl cis-trans isomerase-like 1 [Pan troglodytes]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 18 no REF NP_001271748 . "uncharacterized protein LOC101866933 [Macaca fascicularis]" . . . . . 88.51 156 99.35 100.00 3.75e-110 . . . . 6310 1 19 no REF NP_057143 . "peptidyl-prolyl cis-trans isomerase-like 1 [Homo sapiens]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 20 no SP Q5E992 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Bos taurus]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 21 no SP Q9D0W5 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Mus musculus]" . . . . . 95.40 166 98.19 100.00 8.65e-119 . . . . 6310 1 22 no SP Q9Y3C6 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1 [Homo sapiens]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 23 no TPG DAA16620 . "TPA: peptidylprolyl isomerase-like 1 [Bos taurus]" . . . . . 95.40 166 100.00 100.00 9.93e-120 . . . . 6310 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Homo sapiens peptidylprolyl isomerase (cyclophilin)-like 1' common 6310 1 PPIL1 abbreviation 6310 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 . 6310 1 2 . ALA . 6310 1 3 . ALA . 6310 1 4 . ILE . 6310 1 5 . PRO . 6310 1 6 . PRO . 6310 1 7 . ASP . 6310 1 8 . SER . 6310 1 9 . TRP . 6310 1 10 . GLN . 6310 1 11 . PRO . 6310 1 12 . PRO . 6310 1 13 . ASN . 6310 1 14 . VAL . 6310 1 15 . TYR . 6310 1 16 . LEU . 6310 1 17 . GLU . 6310 1 18 . THR . 6310 1 19 . SER . 6310 1 20 . MET . 6310 1 21 . GLY . 6310 1 22 . ILE . 6310 1 23 . ILE . 6310 1 24 . VAL . 6310 1 25 . LEU . 6310 1 26 . GLU . 6310 1 27 . LEU . 6310 1 28 . TYR . 6310 1 29 . TRP . 6310 1 30 . LYS . 6310 1 31 . HIS . 6310 1 32 . ALA . 6310 1 33 . PRO . 6310 1 34 . LYS . 6310 1 35 . THR . 6310 1 36 . CYS . 6310 1 37 . LYS . 6310 1 38 . ASN . 6310 1 39 . PHE . 6310 1 40 . ALA . 6310 1 41 . GLU . 6310 1 42 . LEU . 6310 1 43 . ALA . 6310 1 44 . ARG . 6310 1 45 . ARG . 6310 1 46 . GLY . 6310 1 47 . TYR . 6310 1 48 . TYR . 6310 1 49 . ASN . 6310 1 50 . GLY . 6310 1 51 . THR . 6310 1 52 . LYS . 6310 1 53 . PHE . 6310 1 54 . HIS . 6310 1 55 . ARG . 6310 1 56 . ILE . 6310 1 57 . ILE . 6310 1 58 . LYS . 6310 1 59 . ASP . 6310 1 60 . PHE . 6310 1 61 . MET . 6310 1 62 . ILE . 6310 1 63 . GLN . 6310 1 64 . GLY . 6310 1 65 . GLY . 6310 1 66 . ASP . 6310 1 67 . PRO . 6310 1 68 . THR . 6310 1 69 . GLY . 6310 1 70 . THR . 6310 1 71 . GLY . 6310 1 72 . ARG . 6310 1 73 . GLY . 6310 1 74 . GLY . 6310 1 75 . ALA . 6310 1 76 . SER . 6310 1 77 . ILE . 6310 1 78 . TYR . 6310 1 79 . GLY . 6310 1 80 . LYS . 6310 1 81 . GLN . 6310 1 82 . PHE . 6310 1 83 . GLU . 6310 1 84 . ASP . 6310 1 85 . GLU . 6310 1 86 . LEU . 6310 1 87 . HIS . 6310 1 88 . PRO . 6310 1 89 . ASP . 6310 1 90 . LEU . 6310 1 91 . LYS . 6310 1 92 . PHE . 6310 1 93 . THR . 6310 1 94 . GLY . 6310 1 95 . ALA . 6310 1 96 . GLY . 6310 1 97 . ILE . 6310 1 98 . LEU . 6310 1 99 . ALA . 6310 1 100 . MET . 6310 1 101 . ALA . 6310 1 102 . ASN . 6310 1 103 . ALA . 6310 1 104 . GLY . 6310 1 105 . PRO . 6310 1 106 . ASP . 6310 1 107 . THR . 6310 1 108 . ASN . 6310 1 109 . GLY . 6310 1 110 . SER . 6310 1 111 . GLN . 6310 1 112 . PHE . 6310 1 113 . PHE . 6310 1 114 . VAL . 6310 1 115 . THR . 6310 1 116 . LEU . 6310 1 117 . ALA . 6310 1 118 . PRO . 6310 1 119 . THR . 6310 1 120 . GLN . 6310 1 121 . TRP . 6310 1 122 . LEU . 6310 1 123 . ASP . 6310 1 124 . GLY . 6310 1 125 . LYS . 6310 1 126 . HIS . 6310 1 127 . THR . 6310 1 128 . ILE . 6310 1 129 . PHE . 6310 1 130 . GLY . 6310 1 131 . ARG . 6310 1 132 . VAL . 6310 1 133 . CYS . 6310 1 134 . GLN . 6310 1 135 . GLY . 6310 1 136 . ILE . 6310 1 137 . GLY . 6310 1 138 . MET . 6310 1 139 . VAL . 6310 1 140 . ASN . 6310 1 141 . ARG . 6310 1 142 . VAL . 6310 1 143 . GLY . 6310 1 144 . MET . 6310 1 145 . VAL . 6310 1 146 . GLU . 6310 1 147 . THR . 6310 1 148 . ASN . 6310 1 149 . SER . 6310 1 150 . GLN . 6310 1 151 . ASP . 6310 1 152 . ARG . 6310 1 153 . PRO . 6310 1 154 . VAL . 6310 1 155 . ASP . 6310 1 156 . ASP . 6310 1 157 . VAL . 6310 1 158 . LYS . 6310 1 159 . ILE . 6310 1 160 . ILE . 6310 1 161 . LYS . 6310 1 162 . ALA . 6310 1 163 . TYR . 6310 1 164 . PRO . 6310 1 165 . SER . 6310 1 166 . GLY . 6310 1 167 . LEU . 6310 1 168 . HIS . 6310 1 169 . HIS . 6310 1 170 . HIS . 6310 1 171 . HIS . 6310 1 172 . HIS . 6310 1 173 . HIS . 6310 1 174 . HIS . 6310 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 6310 1 . ALA 2 2 6310 1 . ALA 3 3 6310 1 . ILE 4 4 6310 1 . PRO 5 5 6310 1 . PRO 6 6 6310 1 . ASP 7 7 6310 1 . SER 8 8 6310 1 . TRP 9 9 6310 1 . GLN 10 10 6310 1 . PRO 11 11 6310 1 . PRO 12 12 6310 1 . ASN 13 13 6310 1 . VAL 14 14 6310 1 . TYR 15 15 6310 1 . LEU 16 16 6310 1 . GLU 17 17 6310 1 . THR 18 18 6310 1 . SER 19 19 6310 1 . MET 20 20 6310 1 . GLY 21 21 6310 1 . ILE 22 22 6310 1 . ILE 23 23 6310 1 . VAL 24 24 6310 1 . LEU 25 25 6310 1 . GLU 26 26 6310 1 . LEU 27 27 6310 1 . TYR 28 28 6310 1 . TRP 29 29 6310 1 . LYS 30 30 6310 1 . HIS 31 31 6310 1 . ALA 32 32 6310 1 . PRO 33 33 6310 1 . LYS 34 34 6310 1 . THR 35 35 6310 1 . CYS 36 36 6310 1 . LYS 37 37 6310 1 . ASN 38 38 6310 1 . PHE 39 39 6310 1 . ALA 40 40 6310 1 . GLU 41 41 6310 1 . LEU 42 42 6310 1 . ALA 43 43 6310 1 . ARG 44 44 6310 1 . ARG 45 45 6310 1 . GLY 46 46 6310 1 . TYR 47 47 6310 1 . TYR 48 48 6310 1 . ASN 49 49 6310 1 . GLY 50 50 6310 1 . THR 51 51 6310 1 . LYS 52 52 6310 1 . PHE 53 53 6310 1 . HIS 54 54 6310 1 . ARG 55 55 6310 1 . ILE 56 56 6310 1 . ILE 57 57 6310 1 . LYS 58 58 6310 1 . ASP 59 59 6310 1 . PHE 60 60 6310 1 . MET 61 61 6310 1 . ILE 62 62 6310 1 . GLN 63 63 6310 1 . GLY 64 64 6310 1 . GLY 65 65 6310 1 . ASP 66 66 6310 1 . PRO 67 67 6310 1 . THR 68 68 6310 1 . GLY 69 69 6310 1 . THR 70 70 6310 1 . GLY 71 71 6310 1 . ARG 72 72 6310 1 . GLY 73 73 6310 1 . GLY 74 74 6310 1 . ALA 75 75 6310 1 . SER 76 76 6310 1 . ILE 77 77 6310 1 . TYR 78 78 6310 1 . GLY 79 79 6310 1 . LYS 80 80 6310 1 . GLN 81 81 6310 1 . PHE 82 82 6310 1 . GLU 83 83 6310 1 . ASP 84 84 6310 1 . GLU 85 85 6310 1 . LEU 86 86 6310 1 . HIS 87 87 6310 1 . PRO 88 88 6310 1 . ASP 89 89 6310 1 . LEU 90 90 6310 1 . LYS 91 91 6310 1 . PHE 92 92 6310 1 . THR 93 93 6310 1 . GLY 94 94 6310 1 . ALA 95 95 6310 1 . GLY 96 96 6310 1 . ILE 97 97 6310 1 . LEU 98 98 6310 1 . ALA 99 99 6310 1 . MET 100 100 6310 1 . ALA 101 101 6310 1 . ASN 102 102 6310 1 . ALA 103 103 6310 1 . GLY 104 104 6310 1 . PRO 105 105 6310 1 . ASP 106 106 6310 1 . THR 107 107 6310 1 . ASN 108 108 6310 1 . GLY 109 109 6310 1 . SER 110 110 6310 1 . GLN 111 111 6310 1 . PHE 112 112 6310 1 . PHE 113 113 6310 1 . VAL 114 114 6310 1 . THR 115 115 6310 1 . LEU 116 116 6310 1 . ALA 117 117 6310 1 . PRO 118 118 6310 1 . THR 119 119 6310 1 . GLN 120 120 6310 1 . TRP 121 121 6310 1 . LEU 122 122 6310 1 . ASP 123 123 6310 1 . GLY 124 124 6310 1 . LYS 125 125 6310 1 . HIS 126 126 6310 1 . THR 127 127 6310 1 . ILE 128 128 6310 1 . PHE 129 129 6310 1 . GLY 130 130 6310 1 . ARG 131 131 6310 1 . VAL 132 132 6310 1 . CYS 133 133 6310 1 . GLN 134 134 6310 1 . GLY 135 135 6310 1 . ILE 136 136 6310 1 . GLY 137 137 6310 1 . MET 138 138 6310 1 . VAL 139 139 6310 1 . ASN 140 140 6310 1 . ARG 141 141 6310 1 . VAL 142 142 6310 1 . GLY 143 143 6310 1 . MET 144 144 6310 1 . VAL 145 145 6310 1 . GLU 146 146 6310 1 . THR 147 147 6310 1 . ASN 148 148 6310 1 . SER 149 149 6310 1 . GLN 150 150 6310 1 . ASP 151 151 6310 1 . ARG 152 152 6310 1 . PRO 153 153 6310 1 . VAL 154 154 6310 1 . ASP 155 155 6310 1 . ASP 156 156 6310 1 . VAL 157 157 6310 1 . LYS 158 158 6310 1 . ILE 159 159 6310 1 . ILE 160 160 6310 1 . LYS 161 161 6310 1 . ALA 162 162 6310 1 . TYR 163 163 6310 1 . PRO 164 164 6310 1 . SER 165 165 6310 1 . GLY 166 166 6310 1 . LEU 167 167 6310 1 . HIS 168 168 6310 1 . HIS 169 169 6310 1 . HIS 170 170 6310 1 . HIS 171 171 6310 1 . HIS 172 172 6310 1 . HIS 173 173 6310 1 . HIS 174 174 6310 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 6310 _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 $hPPIL1_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6310 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 6310 _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 $hPPIL1_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6310 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6310 _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 'Homo sapiens peptidylprolyl isomerase (cyclophilin)-like 1' . . . 1 $hPPIL1_monomer . . 0.5 . . mM . . . . 6310 1 2 NaCl . . . . . . . 50 . . mM . . . . 6310 1 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6310 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6310 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 6310 1 pH 6.8 0.2 n/a 6310 1 temperature 295 1 K 6310 1 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 6310 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6310 _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 unknown unknown . 0 'spectrometer information not available' . . 6310 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 6310 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6310 1 stop_ 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 6310 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm . external indirect . . . . 1 $entry_citation . . 1 $entry_citation 6310 1 H 1 H2O protons . . . . ppm . internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6310 1 N 15 H2O protons . . . . ppm . external indirect . . . . 1 $entry_citation . . 1 $entry_citation 6310 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 6310 _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_1 _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 . 6310 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 ASP CA C 13 56.833 0.100 . . . . . . . . . . 6310 1 2 . 1 1 7 7 ASP CB C 13 39.817 0.100 . . . . . . . . . . 6310 1 3 . 1 1 7 7 ASP C C 13 175.725 0.500 . . . . . . . . . . 6310 1 4 . 1 1 8 8 SER CA C 13 58.529 0.060 . . . . . . . . . . 6310 1 5 . 1 1 8 8 SER CB C 13 62.865 0.111 . . . . . . . . . . 6310 1 6 . 1 1 8 8 SER C C 13 174.046 0.100 . . . . . . . . . . 6310 1 7 . 1 1 8 8 SER HA H 1 3.977 0.012 . . . . . . . . . . 6310 1 8 . 1 1 8 8 SER HB2 H 1 3.709 0.004 . . . . . . . . . . 6310 1 9 . 1 1 8 8 SER H H 1 7.528 0.004 . . . . . . . . . . 6310 1 10 . 1 1 8 8 SER N N 15 109.878 0.017 . . . . . . . . . . 6310 1 11 . 1 1 9 9 TRP CA C 13 58.470 0.085 . . . . . . . . . . 6310 1 12 . 1 1 9 9 TRP CB C 13 27.114 0.074 . . . . . . . . . . 6310 1 13 . 1 1 9 9 TRP C C 13 172.059 0.037 . . . . . . . . . . 6310 1 14 . 1 1 9 9 TRP HA H 1 4.280 0.010 . . . . . . . . . . 6310 1 15 . 1 1 9 9 TRP HB2 H 1 3.502 0.006 . . . . . . . . . . 6310 1 16 . 1 1 9 9 TRP HB3 H 1 2.755 0.017 . . . . . . . . . . 6310 1 17 . 1 1 9 9 TRP H H 1 7.476 0.008 . . . . . . . . . . 6310 1 18 . 1 1 9 9 TRP N N 15 126.438 0.056 . . . . . . . . . . 6310 1 19 . 1 1 10 10 GLN CA C 13 51.555 0.100 . . . . . . . . . . 6310 1 20 . 1 1 10 10 GLN CB C 13 28.085 0.100 . . . . . . . . . . 6310 1 21 . 1 1 10 10 GLN C C 13 171.531 0.100 . . . . . . . . . . 6310 1 22 . 1 1 10 10 GLN H H 1 7.387 0.006 . . . . . . . . . . 6310 1 23 . 1 1 10 10 GLN N N 15 123.151 0.058 . . . . . . . . . . 6310 1 24 . 1 1 12 12 PRO CA C 13 65.123 0.143 . . . . . . . . . . 6310 1 25 . 1 1 12 12 PRO CB C 13 32.971 0.081 . . . . . . . . . . 6310 1 26 . 1 1 12 12 PRO C C 13 177.148 0.026 . . . . . . . . . . 6310 1 27 . 1 1 12 12 PRO HA H 1 4.396 0.008 . . . . . . . . . . 6310 1 28 . 1 1 12 12 PRO HB2 H 1 2.382 0.019 . . . . . . . . . . 6310 1 29 . 1 1 12 12 PRO HB3 H 1 1.943 0.008 . . . . . . . . . . 6310 1 30 . 1 1 13 13 ASN CA C 13 51.400 0.101 . . . . . . . . . . 6310 1 31 . 1 1 13 13 ASN CB C 13 44.354 0.025 . . . . . . . . . . 6310 1 32 . 1 1 13 13 ASN C C 13 174.178 0.030 . . . . . . . . . . 6310 1 33 . 1 1 13 13 ASN HA H 1 6.054 0.010 . . . . . . . . . . 6310 1 34 . 1 1 13 13 ASN HB2 H 1 2.264 0.011 . . . . . . . . . . 6310 1 35 . 1 1 13 13 ASN HB3 H 1 2.171 0.013 . . . . . . . . . . 6310 1 36 . 1 1 13 13 ASN HD21 H 1 6.803 0.003 . . . . . . . . . . 6310 1 37 . 1 1 13 13 ASN HD22 H 1 7.473 0.001 . . . . . . . . . . 6310 1 38 . 1 1 13 13 ASN H H 1 7.718 0.009 . . . . . . . . . . 6310 1 39 . 1 1 13 13 ASN N N 15 110.639 0.046 . . . . . . . . . . 6310 1 40 . 1 1 13 13 ASN ND2 N 15 109.889 0.042 . . . . . . . . . . 6310 1 41 . 1 1 14 14 VAL CA C 13 61.785 0.111 . . . . . . . . . . 6310 1 42 . 1 1 14 14 VAL CB C 13 36.874 0.129 . . . . . . . . . . 6310 1 43 . 1 1 14 14 VAL CG1 C 13 22.418 0.100 . . . . . . . . . . 6310 1 44 . 1 1 14 14 VAL CG2 C 13 20.466 0.100 . . . . . . . . . . 6310 1 45 . 1 1 14 14 VAL C C 13 173.077 0.053 . . . . . . . . . . 6310 1 46 . 1 1 14 14 VAL HA H 1 4.387 0.011 . . . . . . . . . . 6310 1 47 . 1 1 14 14 VAL HB H 1 1.531 0.022 . . . . . . . . . . 6310 1 48 . 1 1 14 14 VAL HG11 H 1 0.839 0.007 . . . . . . . . . . 6310 1 49 . 1 1 14 14 VAL HG12 H 1 0.839 0.007 . . . . . . . . . . 6310 1 50 . 1 1 14 14 VAL HG13 H 1 0.839 0.007 . . . . . . . . . . 6310 1 51 . 1 1 14 14 VAL HG21 H 1 0.534 0.007 . . . . . . . . . . 6310 1 52 . 1 1 14 14 VAL HG22 H 1 0.534 0.007 . . . . . . . . . . 6310 1 53 . 1 1 14 14 VAL HG23 H 1 0.534 0.007 . . . . . . . . . . 6310 1 54 . 1 1 14 14 VAL H H 1 7.967 0.014 . . . . . . . . . . 6310 1 55 . 1 1 14 14 VAL N N 15 116.943 0.054 . . . . . . . . . . 6310 1 56 . 1 1 15 15 TYR CA C 13 57.195 0.136 . . . . . . . . . . 6310 1 57 . 1 1 15 15 TYR CB C 13 39.846 0.136 . . . . . . . . . . 6310 1 58 . 1 1 15 15 TYR C C 13 174.108 0.017 . . . . . . . . . . 6310 1 59 . 1 1 15 15 TYR HA H 1 4.318 0.012 . . . . . . . . . . 6310 1 60 . 1 1 15 15 TYR HB2 H 1 2.045 0.015 . . . . . . . . . . 6310 1 61 . 1 1 15 15 TYR HB3 H 1 1.787 0.021 . . . . . . . . . . 6310 1 62 . 1 1 15 15 TYR HD1 H 1 6.609 0.016 . . . . . . . . . . 6310 1 63 . 1 1 15 15 TYR HE1 H 1 6.776 0.005 . . . . . . . . . . 6310 1 64 . 1 1 15 15 TYR H H 1 8.835 0.011 . . . . . . . . . . 6310 1 65 . 1 1 15 15 TYR N N 15 128.133 0.067 . . . . . . . . . . 6310 1 66 . 1 1 16 16 LEU CA C 13 52.970 0.222 . . . . . . . . . . 6310 1 67 . 1 1 16 16 LEU CB C 13 43.320 0.067 . . . . . . . . . . 6310 1 68 . 1 1 16 16 LEU CD1 C 13 23.720 0.100 . . . . . . . . . . 6310 1 69 . 1 1 16 16 LEU CD2 C 13 22.132 0.100 . . . . . . . . . . 6310 1 70 . 1 1 16 16 LEU CG C 13 25.368 0.100 . . . . . . . . . . 6310 1 71 . 1 1 16 16 LEU C C 13 175.196 0.038 . . . . . . . . . . 6310 1 72 . 1 1 16 16 LEU HA H 1 4.740 0.016 . . . . . . . . . . 6310 1 73 . 1 1 16 16 LEU HB2 H 1 2.045 0.015 . . . . . . . . . . 6310 1 74 . 1 1 16 16 LEU HB3 H 1 1.028 0.016 . . . . . . . . . . 6310 1 75 . 1 1 16 16 LEU HD11 H 1 0.723 0.006 . . . . . . . . . . 6310 1 76 . 1 1 16 16 LEU HD12 H 1 0.723 0.006 . . . . . . . . . . 6310 1 77 . 1 1 16 16 LEU HD13 H 1 0.723 0.006 . . . . . . . . . . 6310 1 78 . 1 1 16 16 LEU HD21 H 1 0.614 0.007 . . . . . . . . . . 6310 1 79 . 1 1 16 16 LEU HD22 H 1 0.614 0.007 . . . . . . . . . . 6310 1 80 . 1 1 16 16 LEU HD23 H 1 0.614 0.007 . . . . . . . . . . 6310 1 81 . 1 1 16 16 LEU HG H 1 1.452 0.012 . . . . . . . . . . 6310 1 82 . 1 1 16 16 LEU H H 1 9.127 0.013 . . . . . . . . . . 6310 1 83 . 1 1 16 16 LEU N N 15 119.210 0.047 . . . . . . . . . . 6310 1 84 . 1 1 17 17 GLU CA C 13 56.461 0.040 . . . . . . . . . . 6310 1 85 . 1 1 17 17 GLU CB C 13 28.578 0.097 . . . . . . . . . . 6310 1 86 . 1 1 17 17 GLU CG C 13 36.204 0.100 . . . . . . . . . . 6310 1 87 . 1 1 17 17 GLU C C 13 175.856 0.032 . . . . . . . . . . 6310 1 88 . 1 1 17 17 GLU HA H 1 4.519 0.014 . . . . . . . . . . 6310 1 89 . 1 1 17 17 GLU HB2 H 1 2.145 0.017 . . . . . . . . . . 6310 1 90 . 1 1 17 17 GLU HG2 H 1 2.280 0.015 . . . . . . . . . . 6310 1 91 . 1 1 17 17 GLU H H 1 9.371 0.016 . . . . . . . . . . 6310 1 92 . 1 1 17 17 GLU N N 15 124.078 0.063 . . . . . . . . . . 6310 1 93 . 1 1 18 18 THR CA C 13 60.596 0.068 . . . . . . . . . . 6310 1 94 . 1 1 18 18 THR CB C 13 73.229 0.066 . . . . . . . . . . 6310 1 95 . 1 1 18 18 THR CG2 C 13 21.608 0.100 . . . . . . . . . . 6310 1 96 . 1 1 18 18 THR C C 13 176.935 0.017 . . . . . . . . . . 6310 1 97 . 1 1 18 18 THR HA H 1 5.731 0.012 . . . . . . . . . . 6310 1 98 . 1 1 18 18 THR HB H 1 4.501 0.011 . . . . . . . . . . 6310 1 99 . 1 1 18 18 THR HG21 H 1 1.241 0.014 . . . . . . . . . . 6310 1 100 . 1 1 18 18 THR HG22 H 1 1.241 0.014 . . . . . . . . . . 6310 1 101 . 1 1 18 18 THR HG23 H 1 1.241 0.014 . . . . . . . . . . 6310 1 102 . 1 1 18 18 THR H H 1 8.023 0.013 . . . . . . . . . . 6310 1 103 . 1 1 18 18 THR N N 15 115.483 0.053 . . . . . . . . . . 6310 1 104 . 1 1 19 19 SER CA C 13 60.980 0.173 . . . . . . . . . . 6310 1 105 . 1 1 19 19 SER CB C 13 63.068 0.069 . . . . . . . . . . 6310 1 106 . 1 1 19 19 SER C C 13 174.095 0.100 . . . . . . . . . . 6310 1 107 . 1 1 19 19 SER HA H 1 4.238 0.010 . . . . . . . . . . 6310 1 108 . 1 1 19 19 SER HB2 H 1 3.917 0.024 . . . . . . . . . . 6310 1 109 . 1 1 19 19 SER H H 1 9.470 0.009 . . . . . . . . . . 6310 1 110 . 1 1 19 19 SER N N 15 115.877 0.039 . . . . . . . . . . 6310 1 111 . 1 1 20 20 MET CA C 13 55.266 0.125 . . . . . . . . . . 6310 1 112 . 1 1 20 20 MET CB C 13 34.265 0.073 . . . . . . . . . . 6310 1 113 . 1 1 20 20 MET CE C 13 17.065 0.005 . . . . . . . . . . 6310 1 114 . 1 1 20 20 MET CG C 13 33.382 0.037 . . . . . . . . . . 6310 1 115 . 1 1 20 20 MET C C 13 174.103 0.037 . . . . . . . . . . 6310 1 116 . 1 1 20 20 MET HA H 1 4.569 0.009 . . . . . . . . . . 6310 1 117 . 1 1 20 20 MET HB2 H 1 2.283 0.011 . . . . . . . . . . 6310 1 118 . 1 1 20 20 MET HB3 H 1 1.360 0.008 . . . . . . . . . . 6310 1 119 . 1 1 20 20 MET HE1 H 1 1.887 0.009 . . . . . . . . . . 6310 1 120 . 1 1 20 20 MET HE2 H 1 1.887 0.009 . . . . . . . . . . 6310 1 121 . 1 1 20 20 MET HE3 H 1 1.887 0.009 . . . . . . . . . . 6310 1 122 . 1 1 20 20 MET HG2 H 1 2.421 0.013 . . . . . . . . . . 6310 1 123 . 1 1 20 20 MET H H 1 8.188 0.007 . . . . . . . . . . 6310 1 124 . 1 1 20 20 MET N N 15 118.755 0.074 . . . . . . . . . . 6310 1 125 . 1 1 21 21 GLY CA C 13 43.971 0.083 . . . . . . . . . . 6310 1 126 . 1 1 21 21 GLY C C 13 174.785 0.023 . . . . . . . . . . 6310 1 127 . 1 1 21 21 GLY HA2 H 1 3.830 0.012 . . . . . . . . . . 6310 1 128 . 1 1 21 21 GLY H H 1 7.144 0.009 . . . . . . . . . . 6310 1 129 . 1 1 21 21 GLY N N 15 106.311 0.039 . . . . . . . . . . 6310 1 130 . 1 1 22 22 ILE CA C 13 61.800 0.154 . . . . . . . . . . 6310 1 131 . 1 1 22 22 ILE CB C 13 39.044 0.108 . . . . . . . . . . 6310 1 132 . 1 1 22 22 ILE CD1 C 13 13.180 0.100 . . . . . . . . . . 6310 1 133 . 1 1 22 22 ILE CG1 C 13 29.358 0.100 . . . . . . . . . . 6310 1 134 . 1 1 22 22 ILE CG2 C 13 23.399 0.100 . . . . . . . . . . 6310 1 135 . 1 1 22 22 ILE C C 13 174.635 0.012 . . . . . . . . . . 6310 1 136 . 1 1 22 22 ILE HA H 1 4.798 0.013 . . . . . . . . . . 6310 1 137 . 1 1 22 22 ILE HB H 1 1.725 0.016 . . . . . . . . . . 6310 1 138 . 1 1 22 22 ILE HD11 H 1 0.904 0.010 . . . . . . . . . . 6310 1 139 . 1 1 22 22 ILE HD12 H 1 0.904 0.010 . . . . . . . . . . 6310 1 140 . 1 1 22 22 ILE HD13 H 1 0.904 0.010 . . . . . . . . . . 6310 1 141 . 1 1 22 22 ILE HG12 H 1 1.761 0.010 . . . . . . . . . . 6310 1 142 . 1 1 22 22 ILE HG13 H 1 1.031 0.013 . . . . . . . . . . 6310 1 143 . 1 1 22 22 ILE HG21 H 1 0.768 0.008 . . . . . . . . . . 6310 1 144 . 1 1 22 22 ILE HG22 H 1 0.768 0.008 . . . . . . . . . . 6310 1 145 . 1 1 22 22 ILE HG23 H 1 0.768 0.008 . . . . . . . . . . 6310 1 146 . 1 1 22 22 ILE H H 1 8.719 0.006 . . . . . . . . . . 6310 1 147 . 1 1 22 22 ILE N N 15 123.358 0.073 . . . . . . . . . . 6310 1 148 . 1 1 23 23 ILE CA C 13 60.276 0.130 . . . . . . . . . . 6310 1 149 . 1 1 23 23 ILE CB C 13 42.339 0.056 . . . . . . . . . . 6310 1 150 . 1 1 23 23 ILE CD1 C 13 13.763 0.100 . . . . . . . . . . 6310 1 151 . 1 1 23 23 ILE CG1 C 13 27.308 0.100 . . . . . . . . . . 6310 1 152 . 1 1 23 23 ILE CG2 C 13 17.959 0.045 . . . . . . . . . . 6310 1 153 . 1 1 23 23 ILE C C 13 173.706 0.030 . . . . . . . . . . 6310 1 154 . 1 1 23 23 ILE HA H 1 4.306 0.006 . . . . . . . . . . 6310 1 155 . 1 1 23 23 ILE HB H 1 1.583 0.015 . . . . . . . . . . 6310 1 156 . 1 1 23 23 ILE HD11 H 1 0.589 0.003 . . . . . . . . . . 6310 1 157 . 1 1 23 23 ILE HD12 H 1 0.589 0.003 . . . . . . . . . . 6310 1 158 . 1 1 23 23 ILE HD13 H 1 0.589 0.003 . . . . . . . . . . 6310 1 159 . 1 1 23 23 ILE HG12 H 1 0.859 0.011 . . . . . . . . . . 6310 1 160 . 1 1 23 23 ILE HG13 H 1 0.952 0.100 . . . . . . . . . . 6310 1 161 . 1 1 23 23 ILE HG21 H 1 0.696 0.007 . . . . . . . . . . 6310 1 162 . 1 1 23 23 ILE HG22 H 1 0.696 0.007 . . . . . . . . . . 6310 1 163 . 1 1 23 23 ILE HG23 H 1 0.696 0.007 . . . . . . . . . . 6310 1 164 . 1 1 23 23 ILE H H 1 8.909 0.015 . . . . . . . . . . 6310 1 165 . 1 1 23 23 ILE N N 15 127.663 0.075 . . . . . . . . . . 6310 1 166 . 1 1 24 24 VAL CA C 13 61.231 0.158 . . . . . . . . . . 6310 1 167 . 1 1 24 24 VAL CB C 13 32.350 0.068 . . . . . . . . . . 6310 1 168 . 1 1 24 24 VAL CG1 C 13 21.218 0.100 . . . . . . . . . . 6310 1 169 . 1 1 24 24 VAL CG2 C 13 21.342 0.100 . . . . . . . . . . 6310 1 170 . 1 1 24 24 VAL C C 13 174.545 0.034 . . . . . . . . . . 6310 1 171 . 1 1 24 24 VAL HA H 1 4.282 0.009 . . . . . . . . . . 6310 1 172 . 1 1 24 24 VAL HB H 1 1.709 0.015 . . . . . . . . . . 6310 1 173 . 1 1 24 24 VAL HG11 H 1 0.388 0.019 . . . . . . . . . . 6310 1 174 . 1 1 24 24 VAL HG12 H 1 0.388 0.019 . . . . . . . . . . 6310 1 175 . 1 1 24 24 VAL HG13 H 1 0.388 0.019 . . . . . . . . . . 6310 1 176 . 1 1 24 24 VAL HG21 H 1 0.175 0.023 . . . . . . . . . . 6310 1 177 . 1 1 24 24 VAL HG22 H 1 0.175 0.023 . . . . . . . . . . 6310 1 178 . 1 1 24 24 VAL HG23 H 1 0.175 0.023 . . . . . . . . . . 6310 1 179 . 1 1 24 24 VAL H H 1 8.606 0.010 . . . . . . . . . . 6310 1 180 . 1 1 24 24 VAL N N 15 125.404 0.049 . . . . . . . . . . 6310 1 181 . 1 1 25 25 LEU CA C 13 52.468 0.161 . . . . . . . . . . 6310 1 182 . 1 1 25 25 LEU CB C 13 42.887 0.100 . . . . . . . . . . 6310 1 183 . 1 1 25 25 LEU CD1 C 13 25.783 0.032 . . . . . . . . . . 6310 1 184 . 1 1 25 25 LEU CD2 C 13 24.118 0.017 . . . . . . . . . . 6310 1 185 . 1 1 25 25 LEU CG C 13 26.812 0.049 . . . . . . . . . . 6310 1 186 . 1 1 25 25 LEU C C 13 176.220 0.017 . . . . . . . . . . 6310 1 187 . 1 1 25 25 LEU HA H 1 4.898 0.016 . . . . . . . . . . 6310 1 188 . 1 1 25 25 LEU HB2 H 1 1.576 0.010 . . . . . . . . . . 6310 1 189 . 1 1 25 25 LEU HB3 H 1 0.837 0.002 . . . . . . . . . . 6310 1 190 . 1 1 25 25 LEU HD11 H 1 0.515 0.013 . . . . . . . . . . 6310 1 191 . 1 1 25 25 LEU HD12 H 1 0.515 0.013 . . . . . . . . . . 6310 1 192 . 1 1 25 25 LEU HD13 H 1 0.515 0.013 . . . . . . . . . . 6310 1 193 . 1 1 25 25 LEU HD21 H 1 0.442 0.011 . . . . . . . . . . 6310 1 194 . 1 1 25 25 LEU HD22 H 1 0.442 0.011 . . . . . . . . . . 6310 1 195 . 1 1 25 25 LEU HD23 H 1 0.442 0.011 . . . . . . . . . . 6310 1 196 . 1 1 25 25 LEU HG H 1 1.417 0.020 . . . . . . . . . . 6310 1 197 . 1 1 25 25 LEU H H 1 8.968 0.017 . . . . . . . . . . 6310 1 198 . 1 1 25 25 LEU N N 15 127.423 0.061 . . . . . . . . . . 6310 1 199 . 1 1 26 26 GLU CA C 13 54.621 0.098 . . . . . . . . . . 6310 1 200 . 1 1 26 26 GLU CB C 13 32.281 0.096 . . . . . . . . . . 6310 1 201 . 1 1 26 26 GLU CG C 13 36.304 0.059 . . . . . . . . . . 6310 1 202 . 1 1 26 26 GLU C C 13 174.181 0.024 . . . . . . . . . . 6310 1 203 . 1 1 26 26 GLU HA H 1 4.800 0.009 . . . . . . . . . . 6310 1 204 . 1 1 26 26 GLU HB2 H 1 1.914 0.008 . . . . . . . . . . 6310 1 205 . 1 1 26 26 GLU HB3 H 1 1.808 0.004 . . . . . . . . . . 6310 1 206 . 1 1 26 26 GLU HG2 H 1 2.198 0.008 . . . . . . . . . . 6310 1 207 . 1 1 26 26 GLU HG3 H 1 1.924 0.001 . . . . . . . . . . 6310 1 208 . 1 1 26 26 GLU H H 1 9.269 0.015 . . . . . . . . . . 6310 1 209 . 1 1 26 26 GLU N N 15 125.117 0.133 . . . . . . . . . . 6310 1 210 . 1 1 27 27 LEU CA C 13 53.845 0.230 . . . . . . . . . . 6310 1 211 . 1 1 27 27 LEU CB C 13 42.287 0.055 . . . . . . . . . . 6310 1 212 . 1 1 27 27 LEU CD1 C 13 23.244 0.013 . . . . . . . . . . 6310 1 213 . 1 1 27 27 LEU CD2 C 13 25.550 0.083 . . . . . . . . . . 6310 1 214 . 1 1 27 27 LEU CG C 13 27.765 0.100 . . . . . . . . . . 6310 1 215 . 1 1 27 27 LEU C C 13 177.247 0.037 . . . . . . . . . . 6310 1 216 . 1 1 27 27 LEU HA H 1 4.457 0.015 . . . . . . . . . . 6310 1 217 . 1 1 27 27 LEU HB2 H 1 1.447 0.010 . . . . . . . . . . 6310 1 218 . 1 1 27 27 LEU HB3 H 1 1.242 0.229 . . . . . . . . . . 6310 1 219 . 1 1 27 27 LEU HD11 H 1 0.488 0.007 . . . . . . . . . . 6310 1 220 . 1 1 27 27 LEU HD12 H 1 0.488 0.007 . . . . . . . . . . 6310 1 221 . 1 1 27 27 LEU HD13 H 1 0.488 0.007 . . . . . . . . . . 6310 1 222 . 1 1 27 27 LEU HD21 H 1 0.756 0.010 . . . . . . . . . . 6310 1 223 . 1 1 27 27 LEU HD22 H 1 0.756 0.010 . . . . . . . . . . 6310 1 224 . 1 1 27 27 LEU HD23 H 1 0.756 0.010 . . . . . . . . . . 6310 1 225 . 1 1 27 27 LEU HG H 1 1.387 0.011 . . . . . . . . . . 6310 1 226 . 1 1 27 27 LEU H H 1 7.434 0.012 . . . . . . . . . . 6310 1 227 . 1 1 27 27 LEU N N 15 122.907 0.056 . . . . . . . . . . 6310 1 228 . 1 1 28 28 TYR CA C 13 51.976 0.099 . . . . . . . . . . 6310 1 229 . 1 1 28 28 TYR CB C 13 35.077 0.078 . . . . . . . . . . 6310 1 230 . 1 1 28 28 TYR C C 13 176.156 0.029 . . . . . . . . . . 6310 1 231 . 1 1 28 28 TYR HA H 1 5.254 0.017 . . . . . . . . . . 6310 1 232 . 1 1 28 28 TYR HB2 H 1 3.287 0.010 . . . . . . . . . . 6310 1 233 . 1 1 28 28 TYR HB3 H 1 2.441 0.018 . . . . . . . . . . 6310 1 234 . 1 1 28 28 TYR H H 1 8.458 0.011 . . . . . . . . . . 6310 1 235 . 1 1 28 28 TYR N N 15 125.525 0.089 . . . . . . . . . . 6310 1 236 . 1 1 29 29 TRP CA C 13 61.333 0.105 . . . . . . . . . . 6310 1 237 . 1 1 29 29 TRP CB C 13 30.309 0.033 . . . . . . . . . . 6310 1 238 . 1 1 29 29 TRP C C 13 178.103 0.014 . . . . . . . . . . 6310 1 239 . 1 1 29 29 TRP HA H 1 3.907 0.010 . . . . . . . . . . 6310 1 240 . 1 1 29 29 TRP HB2 H 1 3.205 0.022 . . . . . . . . . . 6310 1 241 . 1 1 29 29 TRP HB3 H 1 2.902 0.011 . . . . . . . . . . 6310 1 242 . 1 1 29 29 TRP HE1 H 1 10.041 0.001 . . . . . . . . . . 6310 1 243 . 1 1 29 29 TRP H H 1 7.324 0.009 . . . . . . . . . . 6310 1 244 . 1 1 29 29 TRP N N 15 123.674 0.042 . . . . . . . . . . 6310 1 245 . 1 1 29 29 TRP NE1 N 15 130.849 0.034 . . . . . . . . . . 6310 1 246 . 1 1 30 30 LYS CA C 13 57.654 0.123 . . . . . . . . . . 6310 1 247 . 1 1 30 30 LYS CB C 13 31.445 0.113 . . . . . . . . . . 6310 1 248 . 1 1 30 30 LYS CD C 13 27.259 0.100 . . . . . . . . . . 6310 1 249 . 1 1 30 30 LYS CE C 13 41.825 0.089 . . . . . . . . . . 6310 1 250 . 1 1 30 30 LYS CG C 13 24.996 0.100 . . . . . . . . . . 6310 1 251 . 1 1 30 30 LYS C C 13 177.661 0.010 . . . . . . . . . . 6310 1 252 . 1 1 30 30 LYS HA H 1 4.029 0.009 . . . . . . . . . . 6310 1 253 . 1 1 30 30 LYS HB2 H 1 1.605 0.012 . . . . . . . . . . 6310 1 254 . 1 1 30 30 LYS HB3 H 1 1.475 0.014 . . . . . . . . . . 6310 1 255 . 1 1 30 30 LYS HD2 H 1 1.759 0.197 . . . . . . . . . . 6310 1 256 . 1 1 30 30 LYS HE2 H 1 2.802 0.007 . . . . . . . . . . 6310 1 257 . 1 1 30 30 LYS HG2 H 1 1.309 0.010 . . . . . . . . . . 6310 1 258 . 1 1 30 30 LYS HG3 H 1 1.158 0.009 . . . . . . . . . . 6310 1 259 . 1 1 30 30 LYS H H 1 8.743 0.004 . . . . . . . . . . 6310 1 260 . 1 1 30 30 LYS N N 15 114.543 0.046 . . . . . . . . . . 6310 1 261 . 1 1 31 31 HIS CA C 13 59.054 0.174 . . . . . . . . . . 6310 1 262 . 1 1 31 31 HIS CB C 13 33.363 0.014 . . . . . . . . . . 6310 1 263 . 1 1 31 31 HIS C C 13 174.653 0.009 . . . . . . . . . . 6310 1 264 . 1 1 31 31 HIS HA H 1 4.219 0.013 . . . . . . . . . . 6310 1 265 . 1 1 31 31 HIS HB2 H 1 2.790 0.013 . . . . . . . . . . 6310 1 266 . 1 1 31 31 HIS HB3 H 1 2.572 0.024 . . . . . . . . . . 6310 1 267 . 1 1 31 31 HIS H H 1 7.132 0.013 . . . . . . . . . . 6310 1 268 . 1 1 31 31 HIS N N 15 116.326 0.049 . . . . . . . . . . 6310 1 269 . 1 1 32 32 ALA CA C 13 50.153 0.100 . . . . . . . . . . 6310 1 270 . 1 1 32 32 ALA CB C 13 19.130 0.100 . . . . . . . . . . 6310 1 271 . 1 1 32 32 ALA C C 13 173.636 0.100 . . . . . . . . . . 6310 1 272 . 1 1 32 32 ALA HA H 1 3.856 0.007 . . . . . . . . . . 6310 1 273 . 1 1 32 32 ALA HB1 H 1 1.301 0.009 . . . . . . . . . . 6310 1 274 . 1 1 32 32 ALA HB2 H 1 1.301 0.009 . . . . . . . . . . 6310 1 275 . 1 1 32 32 ALA HB3 H 1 1.301 0.009 . . . . . . . . . . 6310 1 276 . 1 1 32 32 ALA H H 1 7.729 0.009 . . . . . . . . . . 6310 1 277 . 1 1 32 32 ALA N N 15 118.636 0.071 . . . . . . . . . . 6310 1 278 . 1 1 33 33 PRO CA C 13 66.739 0.088 . . . . . . . . . . 6310 1 279 . 1 1 33 33 PRO CB C 13 31.781 0.100 . . . . . . . . . . 6310 1 280 . 1 1 33 33 PRO CD C 13 50.684 0.056 . . . . . . . . . . 6310 1 281 . 1 1 33 33 PRO CG C 13 27.376 0.055 . . . . . . . . . . 6310 1 282 . 1 1 33 33 PRO C C 13 180.734 0.010 . . . . . . . . . . 6310 1 283 . 1 1 33 33 PRO HA H 1 4.384 0.014 . . . . . . . . . . 6310 1 284 . 1 1 33 33 PRO HB2 H 1 2.184 0.019 . . . . . . . . . . 6310 1 285 . 1 1 33 33 PRO HD2 H 1 3.690 0.010 . . . . . . . . . . 6310 1 286 . 1 1 33 33 PRO HD3 H 1 3.585 0.070 . . . . . . . . . . 6310 1 287 . 1 1 33 33 PRO HG2 H 1 1.910 0.017 . . . . . . . . . . 6310 1 288 . 1 1 34 34 LYS CA C 13 60.051 0.119 . . . . . . . . . . 6310 1 289 . 1 1 34 34 LYS CB C 13 32.189 0.026 . . . . . . . . . . 6310 1 290 . 1 1 34 34 LYS CD C 13 26.358 0.008 . . . . . . . . . . 6310 1 291 . 1 1 34 34 LYS CE C 13 41.247 0.022 . . . . . . . . . . 6310 1 292 . 1 1 34 34 LYS CG C 13 26.146 0.008 . . . . . . . . . . 6310 1 293 . 1 1 34 34 LYS C C 13 181.624 0.015 . . . . . . . . . . 6310 1 294 . 1 1 34 34 LYS HA H 1 3.995 0.009 . . . . . . . . . . 6310 1 295 . 1 1 34 34 LYS HB2 H 1 1.772 0.014 . . . . . . . . . . 6310 1 296 . 1 1 34 34 LYS HB3 H 1 1.427 0.013 . . . . . . . . . . 6310 1 297 . 1 1 34 34 LYS HD2 H 1 1.383 0.010 . . . . . . . . . . 6310 1 298 . 1 1 34 34 LYS HE2 H 1 2.331 0.006 . . . . . . . . . . 6310 1 299 . 1 1 34 34 LYS HG2 H 1 1.108 0.003 . . . . . . . . . . 6310 1 300 . 1 1 34 34 LYS HG3 H 1 1.356 0.003 . . . . . . . . . . 6310 1 301 . 1 1 34 34 LYS H H 1 10.416 0.012 . . . . . . . . . . 6310 1 302 . 1 1 34 34 LYS N N 15 124.413 0.047 . . . . . . . . . . 6310 1 303 . 1 1 35 35 THR CA C 13 67.081 0.752 . . . . . . . . . . 6310 1 304 . 1 1 35 35 THR CB C 13 67.966 0.100 . . . . . . . . . . 6310 1 305 . 1 1 35 35 THR CG2 C 13 22.620 0.100 . . . . . . . . . . 6310 1 306 . 1 1 35 35 THR C C 13 178.224 0.100 . . . . . . . . . . 6310 1 307 . 1 1 35 35 THR HA H 1 3.903 0.013 . . . . . . . . . . 6310 1 308 . 1 1 35 35 THR HB H 1 3.951 0.006 . . . . . . . . . . 6310 1 309 . 1 1 35 35 THR HG21 H 1 0.277 0.009 . . . . . . . . . . 6310 1 310 . 1 1 35 35 THR HG22 H 1 0.277 0.009 . . . . . . . . . . 6310 1 311 . 1 1 35 35 THR HG23 H 1 0.277 0.009 . . . . . . . . . . 6310 1 312 . 1 1 35 35 THR H H 1 10.042 0.014 . . . . . . . . . . 6310 1 313 . 1 1 35 35 THR N N 15 123.650 0.043 . . . . . . . . . . 6310 1 314 . 1 1 36 36 CYS CA C 13 65.636 0.006 . . . . . . . . . . 6310 1 315 . 1 1 36 36 CYS CB C 13 24.347 0.113 . . . . . . . . . . 6310 1 316 . 1 1 36 36 CYS C C 13 175.037 0.004 . . . . . . . . . . 6310 1 317 . 1 1 36 36 CYS HA H 1 3.504 0.017 . . . . . . . . . . 6310 1 318 . 1 1 36 36 CYS HB2 H 1 2.877 0.025 . . . . . . . . . . 6310 1 319 . 1 1 36 36 CYS H H 1 8.649 0.017 . . . . . . . . . . 6310 1 320 . 1 1 36 36 CYS N N 15 123.970 0.060 . . . . . . . . . . 6310 1 321 . 1 1 37 37 LYS CA C 13 61.135 0.071 . . . . . . . . . . 6310 1 322 . 1 1 37 37 LYS CB C 13 31.312 0.095 . . . . . . . . . . 6310 1 323 . 1 1 37 37 LYS CE C 13 42.559 0.100 . . . . . . . . . . 6310 1 324 . 1 1 37 37 LYS C C 13 177.424 0.033 . . . . . . . . . . 6310 1 325 . 1 1 37 37 LYS HA H 1 4.103 0.017 . . . . . . . . . . 6310 1 326 . 1 1 37 37 LYS HB2 H 1 1.757 0.007 . . . . . . . . . . 6310 1 327 . 1 1 37 37 LYS HB3 H 1 1.628 0.010 . . . . . . . . . . 6310 1 328 . 1 1 37 37 LYS HE2 H 1 3.098 0.010 . . . . . . . . . . 6310 1 329 . 1 1 37 37 LYS H H 1 8.045 0.013 . . . . . . . . . . 6310 1 330 . 1 1 37 37 LYS N N 15 120.088 0.033 . . . . . . . . . . 6310 1 331 . 1 1 38 38 ASN CA C 13 56.950 0.069 . . . . . . . . . . 6310 1 332 . 1 1 38 38 ASN CB C 13 40.471 0.114 . . . . . . . . . . 6310 1 333 . 1 1 38 38 ASN C C 13 174.668 0.027 . . . . . . . . . . 6310 1 334 . 1 1 38 38 ASN HA H 1 3.948 0.016 . . . . . . . . . . 6310 1 335 . 1 1 38 38 ASN HB2 H 1 2.202 0.019 . . . . . . . . . . 6310 1 336 . 1 1 38 38 ASN H H 1 7.224 0.009 . . . . . . . . . . 6310 1 337 . 1 1 38 38 ASN N N 15 114.139 0.054 . . . . . . . . . . 6310 1 338 . 1 1 39 39 PHE CA C 13 61.566 0.159 . . . . . . . . . . 6310 1 339 . 1 1 39 39 PHE CB C 13 41.586 0.137 . . . . . . . . . . 6310 1 340 . 1 1 39 39 PHE C C 13 178.689 0.018 . . . . . . . . . . 6310 1 341 . 1 1 39 39 PHE HA H 1 4.316 0.013 . . . . . . . . . . 6310 1 342 . 1 1 39 39 PHE HB2 H 1 3.474 0.013 . . . . . . . . . . 6310 1 343 . 1 1 39 39 PHE HB3 H 1 2.604 0.027 . . . . . . . . . . 6310 1 344 . 1 1 39 39 PHE HD1 H 1 6.466 0.017 . . . . . . . . . . 6310 1 345 . 1 1 39 39 PHE HE1 H 1 6.774 0.021 . . . . . . . . . . 6310 1 346 . 1 1 39 39 PHE H H 1 7.715 0.008 . . . . . . . . . . 6310 1 347 . 1 1 39 39 PHE N N 15 118.266 0.088 . . . . . . . . . . 6310 1 348 . 1 1 40 40 ALA CA C 13 55.743 0.063 . . . . . . . . . . 6310 1 349 . 1 1 40 40 ALA CB C 13 18.730 0.050 . . . . . . . . . . 6310 1 350 . 1 1 40 40 ALA C C 13 179.621 0.023 . . . . . . . . . . 6310 1 351 . 1 1 40 40 ALA HA H 1 3.837 0.017 . . . . . . . . . . 6310 1 352 . 1 1 40 40 ALA HB1 H 1 1.485 0.008 . . . . . . . . . . 6310 1 353 . 1 1 40 40 ALA HB2 H 1 1.485 0.008 . . . . . . . . . . 6310 1 354 . 1 1 40 40 ALA HB3 H 1 1.485 0.008 . . . . . . . . . . 6310 1 355 . 1 1 40 40 ALA H H 1 9.120 0.013 . . . . . . . . . . 6310 1 356 . 1 1 40 40 ALA N N 15 121.238 0.058 . . . . . . . . . . 6310 1 357 . 1 1 41 41 GLU CA C 13 58.124 0.070 . . . . . . . . . . 6310 1 358 . 1 1 41 41 GLU CB C 13 28.510 0.046 . . . . . . . . . . 6310 1 359 . 1 1 41 41 GLU CG C 13 36.105 0.100 . . . . . . . . . . 6310 1 360 . 1 1 41 41 GLU C C 13 178.587 0.009 . . . . . . . . . . 6310 1 361 . 1 1 41 41 GLU HA H 1 5.021 0.016 . . . . . . . . . . 6310 1 362 . 1 1 41 41 GLU HB2 H 1 2.017 0.019 . . . . . . . . . . 6310 1 363 . 1 1 41 41 GLU HG2 H 1 2.332 0.001 . . . . . . . . . . 6310 1 364 . 1 1 41 41 GLU H H 1 8.892 0.014 . . . . . . . . . . 6310 1 365 . 1 1 41 41 GLU N N 15 120.394 0.046 . . . . . . . . . . 6310 1 366 . 1 1 42 42 LEU CA C 13 58.614 0.149 . . . . . . . . . . 6310 1 367 . 1 1 42 42 LEU CB C 13 40.969 0.147 . . . . . . . . . . 6310 1 368 . 1 1 42 42 LEU CD1 C 13 25.953 0.016 . . . . . . . . . . 6310 1 369 . 1 1 42 42 LEU CD2 C 13 21.334 0.012 . . . . . . . . . . 6310 1 370 . 1 1 42 42 LEU CG C 13 27.113 0.100 . . . . . . . . . . 6310 1 371 . 1 1 42 42 LEU C C 13 179.744 0.027 . . . . . . . . . . 6310 1 372 . 1 1 42 42 LEU HA H 1 3.570 0.019 . . . . . . . . . . 6310 1 373 . 1 1 42 42 LEU HB2 H 1 1.603 0.008 . . . . . . . . . . 6310 1 374 . 1 1 42 42 LEU HD11 H 1 0.573 0.020 . . . . . . . . . . 6310 1 375 . 1 1 42 42 LEU HD12 H 1 0.573 0.020 . . . . . . . . . . 6310 1 376 . 1 1 42 42 LEU HD13 H 1 0.573 0.020 . . . . . . . . . . 6310 1 377 . 1 1 42 42 LEU HD21 H 1 -0.200 0.003 . . . . . . . . . . 6310 1 378 . 1 1 42 42 LEU HD22 H 1 -0.200 0.003 . . . . . . . . . . 6310 1 379 . 1 1 42 42 LEU HD23 H 1 -0.200 0.003 . . . . . . . . . . 6310 1 380 . 1 1 42 42 LEU HG H 1 0.612 0.015 . . . . . . . . . . 6310 1 381 . 1 1 42 42 LEU H H 1 8.727 0.013 . . . . . . . . . . 6310 1 382 . 1 1 42 42 LEU N N 15 121.441 0.059 . . . . . . . . . . 6310 1 383 . 1 1 43 43 ALA CA C 13 53.986 0.042 . . . . . . . . . . 6310 1 384 . 1 1 43 43 ALA CB C 13 20.383 0.044 . . . . . . . . . . 6310 1 385 . 1 1 43 43 ALA C C 13 177.135 0.023 . . . . . . . . . . 6310 1 386 . 1 1 43 43 ALA HA H 1 3.504 0.008 . . . . . . . . . . 6310 1 387 . 1 1 43 43 ALA HB1 H 1 0.905 0.009 . . . . . . . . . . 6310 1 388 . 1 1 43 43 ALA HB2 H 1 0.905 0.009 . . . . . . . . . . 6310 1 389 . 1 1 43 43 ALA HB3 H 1 0.905 0.009 . . . . . . . . . . 6310 1 390 . 1 1 43 43 ALA H H 1 7.783 0.007 . . . . . . . . . . 6310 1 391 . 1 1 43 43 ALA N N 15 113.227 0.070 . . . . . . . . . . 6310 1 392 . 1 1 44 44 ARG CA C 13 59.791 0.119 . . . . . . . . . . 6310 1 393 . 1 1 44 44 ARG CB C 13 30.729 0.044 . . . . . . . . . . 6310 1 394 . 1 1 44 44 ARG C C 13 178.115 0.012 . . . . . . . . . . 6310 1 395 . 1 1 44 44 ARG HA H 1 3.948 0.005 . . . . . . . . . . 6310 1 396 . 1 1 44 44 ARG HB2 H 1 1.926 0.001 . . . . . . . . . . 6310 1 397 . 1 1 44 44 ARG H H 1 8.483 0.009 . . . . . . . . . . 6310 1 398 . 1 1 44 44 ARG N N 15 125.118 0.096 . . . . . . . . . . 6310 1 399 . 1 1 45 45 ARG CA C 13 57.614 0.091 . . . . . . . . . . 6310 1 400 . 1 1 45 45 ARG CB C 13 31.593 0.077 . . . . . . . . . . 6310 1 401 . 1 1 45 45 ARG CD C 13 41.901 0.100 . . . . . . . . . . 6310 1 402 . 1 1 45 45 ARG CG C 13 24.294 0.100 . . . . . . . . . . 6310 1 403 . 1 1 45 45 ARG C C 13 176.745 0.019 . . . . . . . . . . 6310 1 404 . 1 1 45 45 ARG HA H 1 4.059 0.011 . . . . . . . . . . 6310 1 405 . 1 1 45 45 ARG HB2 H 1 1.770 0.010 . . . . . . . . . . 6310 1 406 . 1 1 45 45 ARG HB3 H 1 2.027 0.010 . . . . . . . . . . 6310 1 407 . 1 1 45 45 ARG HD2 H 1 2.896 0.008 . . . . . . . . . . 6310 1 408 . 1 1 45 45 ARG HG2 H 1 1.299 0.010 . . . . . . . . . . 6310 1 409 . 1 1 45 45 ARG H H 1 8.497 0.007 . . . . . . . . . . 6310 1 410 . 1 1 45 45 ARG N N 15 115.881 0.025 . . . . . . . . . . 6310 1 411 . 1 1 46 46 GLY CA C 13 45.664 0.099 . . . . . . . . . . 6310 1 412 . 1 1 46 46 GLY C C 13 176.491 0.033 . . . . . . . . . . 6310 1 413 . 1 1 46 46 GLY HA2 H 1 4.313 0.010 . . . . . . . . . . 6310 1 414 . 1 1 46 46 GLY HA3 H 1 3.944 0.008 . . . . . . . . . . 6310 1 415 . 1 1 46 46 GLY H H 1 8.057 0.011 . . . . . . . . . . 6310 1 416 . 1 1 46 46 GLY N N 15 107.843 0.044 . . . . . . . . . . 6310 1 417 . 1 1 47 47 TYR CA C 13 60.928 0.113 . . . . . . . . . . 6310 1 418 . 1 1 47 47 TYR CB C 13 41.322 0.066 . . . . . . . . . . 6310 1 419 . 1 1 47 47 TYR C C 13 175.549 0.014 . . . . . . . . . . 6310 1 420 . 1 1 47 47 TYR HA H 1 3.859 0.014 . . . . . . . . . . 6310 1 421 . 1 1 47 47 TYR HB2 H 1 2.638 0.016 . . . . . . . . . . 6310 1 422 . 1 1 47 47 TYR HB3 H 1 2.034 0.017 . . . . . . . . . . 6310 1 423 . 1 1 47 47 TYR H H 1 7.886 0.006 . . . . . . . . . . 6310 1 424 . 1 1 47 47 TYR N N 15 121.963 0.076 . . . . . . . . . . 6310 1 425 . 1 1 48 48 TYR CA C 13 55.817 0.037 . . . . . . . . . . 6310 1 426 . 1 1 48 48 TYR CB C 13 37.942 0.017 . . . . . . . . . . 6310 1 427 . 1 1 48 48 TYR C C 13 177.608 0.041 . . . . . . . . . . 6310 1 428 . 1 1 48 48 TYR HA H 1 4.710 0.026 . . . . . . . . . . 6310 1 429 . 1 1 48 48 TYR HB2 H 1 3.079 0.019 . . . . . . . . . . 6310 1 430 . 1 1 48 48 TYR HB3 H 1 2.647 0.015 . . . . . . . . . . 6310 1 431 . 1 1 48 48 TYR H H 1 7.778 0.008 . . . . . . . . . . 6310 1 432 . 1 1 48 48 TYR N N 15 108.639 0.070 . . . . . . . . . . 6310 1 433 . 1 1 49 49 ASN CA C 13 54.986 0.086 . . . . . . . . . . 6310 1 434 . 1 1 49 49 ASN CB C 13 36.214 0.057 . . . . . . . . . . 6310 1 435 . 1 1 49 49 ASN C C 13 176.172 0.017 . . . . . . . . . . 6310 1 436 . 1 1 49 49 ASN HA H 1 4.035 0.013 . . . . . . . . . . 6310 1 437 . 1 1 49 49 ASN HB2 H 1 3.115 0.007 . . . . . . . . . . 6310 1 438 . 1 1 49 49 ASN HB3 H 1 2.842 0.005 . . . . . . . . . . 6310 1 439 . 1 1 49 49 ASN H H 1 7.689 0.006 . . . . . . . . . . 6310 1 440 . 1 1 49 49 ASN N N 15 124.809 0.066 . . . . . . . . . . 6310 1 441 . 1 1 50 50 GLY CA C 13 45.907 0.106 . . . . . . . . . . 6310 1 442 . 1 1 50 50 GLY C C 13 174.974 0.019 . . . . . . . . . . 6310 1 443 . 1 1 50 50 GLY HA2 H 1 4.148 0.015 . . . . . . . . . . 6310 1 444 . 1 1 50 50 GLY HA3 H 1 3.672 0.014 . . . . . . . . . . 6310 1 445 . 1 1 50 50 GLY H H 1 9.118 0.009 . . . . . . . . . . 6310 1 446 . 1 1 50 50 GLY N N 15 114.476 0.045 . . . . . . . . . . 6310 1 447 . 1 1 51 51 THR CA C 13 61.270 0.063 . . . . . . . . . . 6310 1 448 . 1 1 51 51 THR CB C 13 70.969 0.043 . . . . . . . . . . 6310 1 449 . 1 1 51 51 THR CG2 C 13 22.357 0.100 . . . . . . . . . . 6310 1 450 . 1 1 51 51 THR C C 13 172.534 0.029 . . . . . . . . . . 6310 1 451 . 1 1 51 51 THR HA H 1 4.457 0.011 . . . . . . . . . . 6310 1 452 . 1 1 51 51 THR HB H 1 4.146 0.015 . . . . . . . . . . 6310 1 453 . 1 1 51 51 THR HG21 H 1 1.050 0.014 . . . . . . . . . . 6310 1 454 . 1 1 51 51 THR HG22 H 1 1.050 0.014 . . . . . . . . . . 6310 1 455 . 1 1 51 51 THR HG23 H 1 1.050 0.014 . . . . . . . . . . 6310 1 456 . 1 1 51 51 THR H H 1 7.634 0.010 . . . . . . . . . . 6310 1 457 . 1 1 51 51 THR N N 15 109.928 0.033 . . . . . . . . . . 6310 1 458 . 1 1 52 52 LYS CA C 13 54.722 0.071 . . . . . . . . . . 6310 1 459 . 1 1 52 52 LYS CB C 13 34.877 0.091 . . . . . . . . . . 6310 1 460 . 1 1 52 52 LYS CD C 13 29.317 0.100 . . . . . . . . . . 6310 1 461 . 1 1 52 52 LYS CE C 13 41.826 0.002 . . . . . . . . . . 6310 1 462 . 1 1 52 52 LYS CG C 13 24.740 0.100 . . . . . . . . . . 6310 1 463 . 1 1 52 52 LYS C C 13 178.335 0.012 . . . . . . . . . . 6310 1 464 . 1 1 52 52 LYS HA H 1 5.056 0.013 . . . . . . . . . . 6310 1 465 . 1 1 52 52 LYS HB2 H 1 1.784 0.012 . . . . . . . . . . 6310 1 466 . 1 1 52 52 LYS HD2 H 1 1.598 0.010 . . . . . . . . . . 6310 1 467 . 1 1 52 52 LYS HE2 H 1 2.792 0.014 . . . . . . . . . . 6310 1 468 . 1 1 52 52 LYS HG2 H 1 1.326 0.010 . . . . . . . . . . 6310 1 469 . 1 1 52 52 LYS H H 1 9.199 0.010 . . . . . . . . . . 6310 1 470 . 1 1 52 52 LYS N N 15 117.377 0.046 . . . . . . . . . . 6310 1 471 . 1 1 53 53 PHE CA C 13 58.943 0.100 . . . . . . . . . . 6310 1 472 . 1 1 53 53 PHE CB C 13 38.094 0.095 . . . . . . . . . . 6310 1 473 . 1 1 53 53 PHE C C 13 175.302 0.029 . . . . . . . . . . 6310 1 474 . 1 1 53 53 PHE HA H 1 4.908 0.004 . . . . . . . . . . 6310 1 475 . 1 1 53 53 PHE HB2 H 1 2.659 0.012 . . . . . . . . . . 6310 1 476 . 1 1 53 53 PHE HD1 H 1 6.809 0.013 . . . . . . . . . . 6310 1 477 . 1 1 53 53 PHE H H 1 8.247 0.011 . . . . . . . . . . 6310 1 478 . 1 1 53 53 PHE N N 15 121.201 0.084 . . . . . . . . . . 6310 1 479 . 1 1 54 54 HIS CA C 13 57.163 0.098 . . . . . . . . . . 6310 1 480 . 1 1 54 54 HIS CB C 13 31.776 0.104 . . . . . . . . . . 6310 1 481 . 1 1 54 54 HIS C C 13 173.783 0.043 . . . . . . . . . . 6310 1 482 . 1 1 54 54 HIS HA H 1 4.479 0.009 . . . . . . . . . . 6310 1 483 . 1 1 54 54 HIS HB2 H 1 3.222 0.016 . . . . . . . . . . 6310 1 484 . 1 1 54 54 HIS HB3 H 1 2.588 0.025 . . . . . . . . . . 6310 1 485 . 1 1 54 54 HIS H H 1 7.763 0.008 . . . . . . . . . . 6310 1 486 . 1 1 54 54 HIS N N 15 121.446 0.094 . . . . . . . . . . 6310 1 487 . 1 1 55 55 ARG CA C 13 55.054 0.063 . . . . . . . . . . 6310 1 488 . 1 1 55 55 ARG CB C 13 33.459 0.049 . . . . . . . . . . 6310 1 489 . 1 1 55 55 ARG CD C 13 43.463 0.104 . . . . . . . . . . 6310 1 490 . 1 1 55 55 ARG CG C 13 27.784 0.042 . . . . . . . . . . 6310 1 491 . 1 1 55 55 ARG C C 13 172.988 0.036 . . . . . . . . . . 6310 1 492 . 1 1 55 55 ARG HA H 1 4.781 0.012 . . . . . . . . . . 6310 1 493 . 1 1 55 55 ARG HB2 H 1 1.236 0.020 . . . . . . . . . . 6310 1 494 . 1 1 55 55 ARG HD2 H 1 2.968 0.015 . . . . . . . . . . 6310 1 495 . 1 1 55 55 ARG HG2 H 1 0.980 0.012 . . . . . . . . . . 6310 1 496 . 1 1 55 55 ARG HG3 H 1 1.411 0.004 . . . . . . . . . . 6310 1 497 . 1 1 55 55 ARG H H 1 6.905 0.009 . . . . . . . . . . 6310 1 498 . 1 1 55 55 ARG N N 15 121.765 0.038 . . . . . . . . . . 6310 1 499 . 1 1 56 56 ILE CA C 13 61.384 0.180 . . . . . . . . . . 6310 1 500 . 1 1 56 56 ILE CB C 13 42.161 0.110 . . . . . . . . . . 6310 1 501 . 1 1 56 56 ILE CD1 C 13 14.648 0.015 . . . . . . . . . . 6310 1 502 . 1 1 56 56 ILE CG1 C 13 27.750 0.100 . . . . . . . . . . 6310 1 503 . 1 1 56 56 ILE CG2 C 13 16.860 0.100 . . . . . . . . . . 6310 1 504 . 1 1 56 56 ILE C C 13 173.840 0.021 . . . . . . . . . . 6310 1 505 . 1 1 56 56 ILE HA H 1 4.376 0.009 . . . . . . . . . . 6310 1 506 . 1 1 56 56 ILE HB H 1 1.300 0.016 . . . . . . . . . . 6310 1 507 . 1 1 56 56 ILE HD11 H 1 0.676 0.013 . . . . . . . . . . 6310 1 508 . 1 1 56 56 ILE HD12 H 1 0.676 0.013 . . . . . . . . . . 6310 1 509 . 1 1 56 56 ILE HD13 H 1 0.676 0.013 . . . . . . . . . . 6310 1 510 . 1 1 56 56 ILE HG12 H 1 1.322 0.011 . . . . . . . . . . 6310 1 511 . 1 1 56 56 ILE HG13 H 1 0.811 0.010 . . . . . . . . . . 6310 1 512 . 1 1 56 56 ILE HG21 H 1 0.738 0.016 . . . . . . . . . . 6310 1 513 . 1 1 56 56 ILE HG22 H 1 0.738 0.016 . . . . . . . . . . 6310 1 514 . 1 1 56 56 ILE HG23 H 1 0.738 0.016 . . . . . . . . . . 6310 1 515 . 1 1 56 56 ILE H H 1 8.735 0.011 . . . . . . . . . . 6310 1 516 . 1 1 56 56 ILE N N 15 126.801 0.056 . . . . . . . . . . 6310 1 517 . 1 1 57 57 ILE CA C 13 60.564 0.114 . . . . . . . . . . 6310 1 518 . 1 1 57 57 ILE CB C 13 40.525 0.145 . . . . . . . . . . 6310 1 519 . 1 1 57 57 ILE CD1 C 13 14.021 0.100 . . . . . . . . . . 6310 1 520 . 1 1 57 57 ILE CG1 C 13 27.620 0.100 . . . . . . . . . . 6310 1 521 . 1 1 57 57 ILE CG2 C 13 17.966 0.100 . . . . . . . . . . 6310 1 522 . 1 1 57 57 ILE C C 13 174.305 0.051 . . . . . . . . . . 6310 1 523 . 1 1 57 57 ILE HA H 1 4.159 0.015 . . . . . . . . . . 6310 1 524 . 1 1 57 57 ILE HB H 1 1.605 0.014 . . . . . . . . . . 6310 1 525 . 1 1 57 57 ILE HD11 H 1 0.714 0.013 . . . . . . . . . . 6310 1 526 . 1 1 57 57 ILE HD12 H 1 0.714 0.013 . . . . . . . . . . 6310 1 527 . 1 1 57 57 ILE HD13 H 1 0.714 0.013 . . . . . . . . . . 6310 1 528 . 1 1 57 57 ILE HG12 H 1 1.229 0.009 . . . . . . . . . . 6310 1 529 . 1 1 57 57 ILE HG13 H 1 0.930 0.003 . . . . . . . . . . 6310 1 530 . 1 1 57 57 ILE HG21 H 1 1.005 0.014 . . . . . . . . . . 6310 1 531 . 1 1 57 57 ILE HG22 H 1 1.005 0.014 . . . . . . . . . . 6310 1 532 . 1 1 57 57 ILE HG23 H 1 1.005 0.014 . . . . . . . . . . 6310 1 533 . 1 1 57 57 ILE H H 1 8.576 0.014 . . . . . . . . . . 6310 1 534 . 1 1 57 57 ILE N N 15 126.146 0.084 . . . . . . . . . . 6310 1 535 . 1 1 58 58 LYS CA C 13 58.470 0.031 . . . . . . . . . . 6310 1 536 . 1 1 58 58 LYS CB C 13 32.318 0.078 . . . . . . . . . . 6310 1 537 . 1 1 58 58 LYS CD C 13 28.982 0.100 . . . . . . . . . . 6310 1 538 . 1 1 58 58 LYS CE C 13 41.869 0.139 . . . . . . . . . . 6310 1 539 . 1 1 58 58 LYS CG C 13 24.313 0.100 . . . . . . . . . . 6310 1 540 . 1 1 58 58 LYS C C 13 175.814 0.100 . . . . . . . . . . 6310 1 541 . 1 1 58 58 LYS HA H 1 3.760 0.012 . . . . . . . . . . 6310 1 542 . 1 1 58 58 LYS HB2 H 1 1.728 0.012 . . . . . . . . . . 6310 1 543 . 1 1 58 58 LYS HB3 H 1 1.605 0.013 . . . . . . . . . . 6310 1 544 . 1 1 58 58 LYS HD2 H 1 1.604 0.010 . . . . . . . . . . 6310 1 545 . 1 1 58 58 LYS HE2 H 1 2.918 0.011 . . . . . . . . . . 6310 1 546 . 1 1 58 58 LYS HG2 H 1 1.333 0.017 . . . . . . . . . . 6310 1 547 . 1 1 58 58 LYS H H 1 8.801 0.007 . . . . . . . . . . 6310 1 548 . 1 1 58 58 LYS N N 15 129.743 0.064 . . . . . . . . . . 6310 1 549 . 1 1 59 59 ASP CA C 13 56.898 0.096 . . . . . . . . . . 6310 1 550 . 1 1 59 59 ASP CB C 13 39.623 0.042 . . . . . . . . . . 6310 1 551 . 1 1 59 59 ASP C C 13 173.346 0.100 . . . . . . . . . . 6310 1 552 . 1 1 59 59 ASP HA H 1 3.961 0.013 . . . . . . . . . . 6310 1 553 . 1 1 59 59 ASP HB2 H 1 2.823 0.011 . . . . . . . . . . 6310 1 554 . 1 1 59 59 ASP H H 1 8.710 0.008 . . . . . . . . . . 6310 1 555 . 1 1 59 59 ASP N N 15 118.062 0.049 . . . . . . . . . . 6310 1 556 . 1 1 60 60 PHE CA C 13 57.358 0.100 . . . . . . . . . . 6310 1 557 . 1 1 60 60 PHE CB C 13 39.051 0.103 . . . . . . . . . . 6310 1 558 . 1 1 60 60 PHE C C 13 174.111 0.049 . . . . . . . . . . 6310 1 559 . 1 1 60 60 PHE HA H 1 5.100 0.012 . . . . . . . . . . 6310 1 560 . 1 1 60 60 PHE HB2 H 1 3.004 0.021 . . . . . . . . . . 6310 1 561 . 1 1 60 60 PHE HD1 H 1 7.132 0.001 . . . . . . . . . . 6310 1 562 . 1 1 60 60 PHE H H 1 8.163 0.007 . . . . . . . . . . 6310 1 563 . 1 1 60 60 PHE N N 15 114.890 0.072 . . . . . . . . . . 6310 1 564 . 1 1 61 61 MET CA C 13 55.298 0.069 . . . . . . . . . . 6310 1 565 . 1 1 61 61 MET CB C 13 35.303 0.047 . . . . . . . . . . 6310 1 566 . 1 1 61 61 MET CG C 13 28.402 0.100 . . . . . . . . . . 6310 1 567 . 1 1 61 61 MET CE C 13 17.059 0.002 . . . . . . . . . . 6310 1 568 . 1 1 61 61 MET C C 13 172.343 0.012 . . . . . . . . . . 6310 1 569 . 1 1 61 61 MET HA H 1 5.094 0.007 . . . . . . . . . . 6310 1 570 . 1 1 61 61 MET HB2 H 1 1.686 0.017 . . . . . . . . . . 6310 1 571 . 1 1 61 61 MET HE1 H 1 1.883 0.010 . . . . . . . . . . 6310 1 572 . 1 1 61 61 MET HE2 H 1 1.883 0.010 . . . . . . . . . . 6310 1 573 . 1 1 61 61 MET HE3 H 1 1.883 0.010 . . . . . . . . . . 6310 1 574 . 1 1 61 61 MET HG2 H 1 1.043 0.009 . . . . . . . . . . 6310 1 575 . 1 1 61 61 MET HG3 H 1 0.940 0.007 . . . . . . . . . . 6310 1 576 . 1 1 61 61 MET H H 1 8.251 0.014 . . . . . . . . . . 6310 1 577 . 1 1 61 61 MET N N 15 114.789 0.136 . . . . . . . . . . 6310 1 578 . 1 1 62 62 ILE CA C 13 59.829 0.102 . . . . . . . . . . 6310 1 579 . 1 1 62 62 ILE CB C 13 40.502 0.069 . . . . . . . . . . 6310 1 580 . 1 1 62 62 ILE CG1 C 13 26.234 0.100 . . . . . . . . . . 6310 1 581 . 1 1 62 62 ILE CG2 C 13 17.851 0.011 . . . . . . . . . . 6310 1 582 . 1 1 62 62 ILE CD1 C 13 13.801 0.007 . . . . . . . . . . 6310 1 583 . 1 1 62 62 ILE C C 13 173.052 0.034 . . . . . . . . . . 6310 1 584 . 1 1 62 62 ILE HA H 1 4.512 0.012 . . . . . . . . . . 6310 1 585 . 1 1 62 62 ILE HB H 1 1.179 0.013 . . . . . . . . . . 6310 1 586 . 1 1 62 62 ILE HD11 H 1 0.155 0.009 . . . . . . . . . . 6310 1 587 . 1 1 62 62 ILE HD12 H 1 0.155 0.009 . . . . . . . . . . 6310 1 588 . 1 1 62 62 ILE HD13 H 1 0.155 0.009 . . . . . . . . . . 6310 1 589 . 1 1 62 62 ILE HG12 H 1 1.427 0.011 . . . . . . . . . . 6310 1 590 . 1 1 62 62 ILE HG13 H 1 0.823 0.017 . . . . . . . . . . 6310 1 591 . 1 1 62 62 ILE HG21 H 1 0.418 0.010 . . . . . . . . . . 6310 1 592 . 1 1 62 62 ILE HG22 H 1 0.418 0.010 . . . . . . . . . . 6310 1 593 . 1 1 62 62 ILE HG23 H 1 0.418 0.010 . . . . . . . . . . 6310 1 594 . 1 1 62 62 ILE H H 1 8.275 0.011 . . . . . . . . . . 6310 1 595 . 1 1 62 62 ILE N N 15 114.426 0.101 . . . . . . . . . . 6310 1 596 . 1 1 63 63 GLN CA C 13 54.233 0.103 . . . . . . . . . . 6310 1 597 . 1 1 63 63 GLN CB C 13 31.957 0.061 . . . . . . . . . . 6310 1 598 . 1 1 63 63 GLN CG C 13 33.570 0.127 . . . . . . . . . . 6310 1 599 . 1 1 63 63 GLN C C 13 174.373 0.020 . . . . . . . . . . 6310 1 600 . 1 1 63 63 GLN HA H 1 5.089 0.011 . . . . . . . . . . 6310 1 601 . 1 1 63 63 GLN HB2 H 1 1.840 0.006 . . . . . . . . . . 6310 1 602 . 1 1 63 63 GLN HB3 H 1 1.622 0.009 . . . . . . . . . . 6310 1 603 . 1 1 63 63 GLN HG2 H 1 2.132 0.007 . . . . . . . . . . 6310 1 604 . 1 1 63 63 GLN HG3 H 1 2.349 0.018 . . . . . . . . . . 6310 1 605 . 1 1 63 63 GLN H H 1 8.936 0.009 . . . . . . . . . . 6310 1 606 . 1 1 63 63 GLN N N 15 125.602 0.049 . . . . . . . . . . 6310 1 607 . 1 1 64 64 GLY CA C 13 45.150 0.087 . . . . . . . . . . 6310 1 608 . 1 1 64 64 GLY C C 13 173.172 0.035 . . . . . . . . . . 6310 1 609 . 1 1 64 64 GLY HA2 H 1 5.011 0.025 . . . . . . . . . . 6310 1 610 . 1 1 64 64 GLY HA3 H 1 3.090 0.009 . . . . . . . . . . 6310 1 611 . 1 1 64 64 GLY H H 1 7.950 0.009 . . . . . . . . . . 6310 1 612 . 1 1 64 64 GLY N N 15 110.505 0.061 . . . . . . . . . . 6310 1 613 . 1 1 65 65 GLY CA C 13 46.602 0.110 . . . . . . . . . . 6310 1 614 . 1 1 65 65 GLY C C 13 172.852 0.075 . . . . . . . . . . 6310 1 615 . 1 1 65 65 GLY HA2 H 1 4.648 0.004 . . . . . . . . . . 6310 1 616 . 1 1 65 65 GLY HA3 H 1 3.868 0.016 . . . . . . . . . . 6310 1 617 . 1 1 65 65 GLY H H 1 9.644 0.010 . . . . . . . . . . 6310 1 618 . 1 1 65 65 GLY N N 15 107.562 0.093 . . . . . . . . . . 6310 1 619 . 1 1 66 66 ASP CA C 13 48.904 0.011 . . . . . . . . . . 6310 1 620 . 1 1 66 66 ASP CB C 13 42.054 0.100 . . . . . . . . . . 6310 1 621 . 1 1 66 66 ASP C C 13 175.992 0.100 . . . . . . . . . . 6310 1 622 . 1 1 66 66 ASP HA H 1 5.052 0.014 . . . . . . . . . . 6310 1 623 . 1 1 66 66 ASP HB2 H 1 2.843 0.009 . . . . . . . . . . 6310 1 624 . 1 1 66 66 ASP H H 1 9.597 0.008 . . . . . . . . . . 6310 1 625 . 1 1 66 66 ASP N N 15 121.338 0.050 . . . . . . . . . . 6310 1 626 . 1 1 67 67 PRO CA C 13 64.899 0.038 . . . . . . . . . . 6310 1 627 . 1 1 67 67 PRO CB C 13 32.063 0.029 . . . . . . . . . . 6310 1 628 . 1 1 67 67 PRO CD C 13 50.404 0.084 . . . . . . . . . . 6310 1 629 . 1 1 67 67 PRO C C 13 177.625 0.012 . . . . . . . . . . 6310 1 630 . 1 1 67 67 PRO HA H 1 4.157 0.015 . . . . . . . . . . 6310 1 631 . 1 1 67 67 PRO HB2 H 1 1.913 0.013 . . . . . . . . . . 6310 1 632 . 1 1 67 67 PRO HB3 H 1 1.785 0.027 . . . . . . . . . . 6310 1 633 . 1 1 67 67 PRO HD2 H 1 3.559 0.010 . . . . . . . . . . 6310 1 634 . 1 1 67 67 PRO HD3 H 1 3.689 0.010 . . . . . . . . . . 6310 1 635 . 1 1 67 67 PRO HG2 H 1 1.908 0.015 . . . . . . . . . . 6310 1 636 . 1 1 68 68 THR CA C 13 62.834 0.046 . . . . . . . . . . 6310 1 637 . 1 1 68 68 THR CB C 13 70.772 0.066 . . . . . . . . . . 6310 1 638 . 1 1 68 68 THR CG2 C 13 21.630 0.100 . . . . . . . . . . 6310 1 639 . 1 1 68 68 THR C C 13 177.136 0.035 . . . . . . . . . . 6310 1 640 . 1 1 68 68 THR HA H 1 4.304 0.010 . . . . . . . . . . 6310 1 641 . 1 1 68 68 THR HB H 1 4.296 0.008 . . . . . . . . . . 6310 1 642 . 1 1 68 68 THR HG21 H 1 1.247 0.012 . . . . . . . . . . 6310 1 643 . 1 1 68 68 THR HG22 H 1 1.247 0.012 . . . . . . . . . . 6310 1 644 . 1 1 68 68 THR HG23 H 1 1.247 0.012 . . . . . . . . . . 6310 1 645 . 1 1 68 68 THR H H 1 8.594 0.008 . . . . . . . . . . 6310 1 646 . 1 1 68 68 THR N N 15 108.171 0.059 . . . . . . . . . . 6310 1 647 . 1 1 69 69 GLY CA C 13 45.906 0.145 . . . . . . . . . . 6310 1 648 . 1 1 69 69 GLY C C 13 173.342 0.043 . . . . . . . . . . 6310 1 649 . 1 1 69 69 GLY HA2 H 1 4.025 0.013 . . . . . . . . . . 6310 1 650 . 1 1 69 69 GLY HA3 H 1 3.671 0.006 . . . . . . . . . . 6310 1 651 . 1 1 69 69 GLY H H 1 7.713 0.007 . . . . . . . . . . 6310 1 652 . 1 1 69 69 GLY N N 15 108.069 0.084 . . . . . . . . . . 6310 1 653 . 1 1 70 70 THR CA C 13 63.323 0.030 . . . . . . . . . . 6310 1 654 . 1 1 70 70 THR CB C 13 71.920 0.036 . . . . . . . . . . 6310 1 655 . 1 1 70 70 THR CG2 C 13 21.262 0.100 . . . . . . . . . . 6310 1 656 . 1 1 70 70 THR C C 13 176.097 0.022 . . . . . . . . . . 6310 1 657 . 1 1 70 70 THR HA H 1 4.093 0.012 . . . . . . . . . . 6310 1 658 . 1 1 70 70 THR HB H 1 4.079 0.010 . . . . . . . . . . 6310 1 659 . 1 1 70 70 THR HG21 H 1 1.092 0.016 . . . . . . . . . . 6310 1 660 . 1 1 70 70 THR HG22 H 1 1.092 0.016 . . . . . . . . . . 6310 1 661 . 1 1 70 70 THR HG23 H 1 1.092 0.016 . . . . . . . . . . 6310 1 662 . 1 1 70 70 THR H H 1 7.539 0.011 . . . . . . . . . . 6310 1 663 . 1 1 70 70 THR N N 15 108.743 0.050 . . . . . . . . . . 6310 1 664 . 1 1 71 71 GLY CA C 13 45.324 0.100 . . . . . . . . . . 6310 1 665 . 1 1 71 71 GLY C C 13 174.952 0.001 . . . . . . . . . . 6310 1 666 . 1 1 71 71 GLY HA2 H 1 4.302 0.016 . . . . . . . . . . 6310 1 667 . 1 1 71 71 GLY HA3 H 1 2.889 0.017 . . . . . . . . . . 6310 1 668 . 1 1 71 71 GLY H H 1 8.710 0.008 . . . . . . . . . . 6310 1 669 . 1 1 71 71 GLY N N 15 111.888 0.034 . . . . . . . . . . 6310 1 670 . 1 1 72 72 ARG CA C 13 55.070 0.056 . . . . . . . . . . 6310 1 671 . 1 1 72 72 ARG CB C 13 31.387 0.163 . . . . . . . . . . 6310 1 672 . 1 1 72 72 ARG CD C 13 43.097 0.100 . . . . . . . . . . 6310 1 673 . 1 1 72 72 ARG CG C 13 27.489 0.100 . . . . . . . . . . 6310 1 674 . 1 1 72 72 ARG C C 13 176.945 0.017 . . . . . . . . . . 6310 1 675 . 1 1 72 72 ARG HA H 1 4.513 0.009 . . . . . . . . . . 6310 1 676 . 1 1 72 72 ARG HB2 H 1 1.884 0.013 . . . . . . . . . . 6310 1 677 . 1 1 72 72 ARG HB3 H 1 1.484 0.020 . . . . . . . . . . 6310 1 678 . 1 1 72 72 ARG HD2 H 1 3.103 0.021 . . . . . . . . . . 6310 1 679 . 1 1 72 72 ARG HD3 H 1 3.042 0.001 . . . . . . . . . . 6310 1 680 . 1 1 72 72 ARG HG2 H 1 1.607 0.002 . . . . . . . . . . 6310 1 681 . 1 1 72 72 ARG H H 1 8.067 0.013 . . . . . . . . . . 6310 1 682 . 1 1 72 72 ARG N N 15 120.037 0.051 . . . . . . . . . . 6310 1 683 . 1 1 73 73 GLY CA C 13 45.013 0.126 . . . . . . . . . . 6310 1 684 . 1 1 73 73 GLY C C 13 174.659 0.004 . . . . . . . . . . 6310 1 685 . 1 1 73 73 GLY HA2 H 1 4.576 0.019 . . . . . . . . . . 6310 1 686 . 1 1 73 73 GLY HA3 H 1 3.732 0.008 . . . . . . . . . . 6310 1 687 . 1 1 73 73 GLY H H 1 8.645 0.009 . . . . . . . . . . 6310 1 688 . 1 1 73 73 GLY N N 15 110.457 0.054 . . . . . . . . . . 6310 1 689 . 1 1 74 74 GLY CA C 13 44.555 0.136 . . . . . . . . . . 6310 1 690 . 1 1 74 74 GLY C C 13 173.543 0.033 . . . . . . . . . . 6310 1 691 . 1 1 74 74 GLY HA2 H 1 5.071 0.013 . . . . . . . . . . 6310 1 692 . 1 1 74 74 GLY HA3 H 1 3.987 0.017 . . . . . . . . . . 6310 1 693 . 1 1 74 74 GLY H H 1 8.347 0.007 . . . . . . . . . . 6310 1 694 . 1 1 74 74 GLY N N 15 107.031 0.067 . . . . . . . . . . 6310 1 695 . 1 1 75 75 ALA CA C 13 51.214 0.072 . . . . . . . . . . 6310 1 696 . 1 1 75 75 ALA CB C 13 22.690 0.094 . . . . . . . . . . 6310 1 697 . 1 1 75 75 ALA C C 13 175.147 0.023 . . . . . . . . . . 6310 1 698 . 1 1 75 75 ALA HA H 1 4.654 0.008 . . . . . . . . . . 6310 1 699 . 1 1 75 75 ALA HB1 H 1 1.316 0.009 . . . . . . . . . . 6310 1 700 . 1 1 75 75 ALA HB2 H 1 1.316 0.009 . . . . . . . . . . 6310 1 701 . 1 1 75 75 ALA HB3 H 1 1.316 0.009 . . . . . . . . . . 6310 1 702 . 1 1 75 75 ALA H H 1 7.973 0.007 . . . . . . . . . . 6310 1 703 . 1 1 75 75 ALA N N 15 124.302 0.070 . . . . . . . . . . 6310 1 704 . 1 1 76 76 SER CA C 13 57.637 0.068 . . . . . . . . . . 6310 1 705 . 1 1 76 76 SER CB C 13 68.206 0.062 . . . . . . . . . . 6310 1 706 . 1 1 76 76 SER C C 13 176.698 0.065 . . . . . . . . . . 6310 1 707 . 1 1 76 76 SER HA H 1 4.675 0.005 . . . . . . . . . . 6310 1 708 . 1 1 76 76 SER HB2 H 1 4.330 0.010 . . . . . . . . . . 6310 1 709 . 1 1 76 76 SER HG H 1 5.042 0.015 . . . . . . . . . . 6310 1 710 . 1 1 76 76 SER H H 1 8.793 0.014 . . . . . . . . . . 6310 1 711 . 1 1 76 76 SER N N 15 115.362 0.035 . . . . . . . . . . 6310 1 712 . 1 1 77 77 ILE CA C 13 63.294 0.050 . . . . . . . . . . 6310 1 713 . 1 1 77 77 ILE CB C 13 38.095 0.079 . . . . . . . . . . 6310 1 714 . 1 1 77 77 ILE CD1 C 13 14.211 0.100 . . . . . . . . . . 6310 1 715 . 1 1 77 77 ILE CG1 C 13 29.274 0.100 . . . . . . . . . . 6310 1 716 . 1 1 77 77 ILE CG2 C 13 16.564 0.100 . . . . . . . . . . 6310 1 717 . 1 1 77 77 ILE C C 13 176.227 0.015 . . . . . . . . . . 6310 1 718 . 1 1 77 77 ILE HA H 1 3.874 0.018 . . . . . . . . . . 6310 1 719 . 1 1 77 77 ILE HB H 1 1.541 0.014 . . . . . . . . . . 6310 1 720 . 1 1 77 77 ILE HD11 H 1 0.439 0.011 . . . . . . . . . . 6310 1 721 . 1 1 77 77 ILE HD12 H 1 0.439 0.011 . . . . . . . . . . 6310 1 722 . 1 1 77 77 ILE HD13 H 1 0.439 0.011 . . . . . . . . . . 6310 1 723 . 1 1 77 77 ILE HG12 H 1 -0.199 0.010 . . . . . . . . . . 6310 1 724 . 1 1 77 77 ILE HG13 H 1 -0.365 0.008 . . . . . . . . . . 6310 1 725 . 1 1 77 77 ILE HG21 H 1 0.654 0.010 . . . . . . . . . . 6310 1 726 . 1 1 77 77 ILE HG22 H 1 0.654 0.010 . . . . . . . . . . 6310 1 727 . 1 1 77 77 ILE HG23 H 1 0.654 0.010 . . . . . . . . . . 6310 1 728 . 1 1 77 77 ILE H H 1 8.792 0.009 . . . . . . . . . . 6310 1 729 . 1 1 77 77 ILE N N 15 112.129 0.051 . . . . . . . . . . 6310 1 730 . 1 1 78 78 TYR CA C 13 58.248 0.071 . . . . . . . . . . 6310 1 731 . 1 1 78 78 TYR CB C 13 38.314 0.031 . . . . . . . . . . 6310 1 732 . 1 1 78 78 TYR C C 13 175.676 0.045 . . . . . . . . . . 6310 1 733 . 1 1 78 78 TYR HA H 1 4.277 0.018 . . . . . . . . . . 6310 1 734 . 1 1 78 78 TYR HB2 H 1 3.333 0.013 . . . . . . . . . . 6310 1 735 . 1 1 78 78 TYR HB3 H 1 2.551 0.030 . . . . . . . . . . 6310 1 736 . 1 1 78 78 TYR HD1 H 1 6.762 0.017 . . . . . . . . . . 6310 1 737 . 1 1 78 78 TYR H H 1 7.609 0.012 . . . . . . . . . . 6310 1 738 . 1 1 78 78 TYR N N 15 118.279 0.065 . . . . . . . . . . 6310 1 739 . 1 1 79 79 GLY CA C 13 45.459 0.077 . . . . . . . . . . 6310 1 740 . 1 1 79 79 GLY C C 13 172.675 0.023 . . . . . . . . . . 6310 1 741 . 1 1 79 79 GLY HA2 H 1 3.589 0.020 . . . . . . . . . . 6310 1 742 . 1 1 79 79 GLY H H 1 7.387 0.010 . . . . . . . . . . 6310 1 743 . 1 1 79 79 GLY N N 15 107.388 0.090 . . . . . . . . . . 6310 1 744 . 1 1 80 80 LYS CA C 13 55.797 0.039 . . . . . . . . . . 6310 1 745 . 1 1 80 80 LYS CB C 13 33.759 0.072 . . . . . . . . . . 6310 1 746 . 1 1 80 80 LYS CD C 13 28.858 0.001 . . . . . . . . . . 6310 1 747 . 1 1 80 80 LYS CE C 13 41.875 0.145 . . . . . . . . . . 6310 1 748 . 1 1 80 80 LYS CG C 13 23.059 0.100 . . . . . . . . . . 6310 1 749 . 1 1 80 80 LYS C C 13 175.820 0.073 . . . . . . . . . . 6310 1 750 . 1 1 80 80 LYS HA H 1 4.383 0.014 . . . . . . . . . . 6310 1 751 . 1 1 80 80 LYS HB2 H 1 1.963 0.013 . . . . . . . . . . 6310 1 752 . 1 1 80 80 LYS HB3 H 1 1.788 0.012 . . . . . . . . . . 6310 1 753 . 1 1 80 80 LYS HD2 H 1 1.628 0.010 . . . . . . . . . . 6310 1 754 . 1 1 80 80 LYS HE2 H 1 2.921 0.006 . . . . . . . . . . 6310 1 755 . 1 1 80 80 LYS HG2 H 1 1.265 0.015 . . . . . . . . . . 6310 1 756 . 1 1 80 80 LYS H H 1 7.725 0.009 . . . . . . . . . . 6310 1 757 . 1 1 80 80 LYS N N 15 117.363 0.108 . . . . . . . . . . 6310 1 758 . 1 1 81 81 GLN CA C 13 55.732 0.065 . . . . . . . . . . 6310 1 759 . 1 1 81 81 GLN CB C 13 29.474 0.093 . . . . . . . . . . 6310 1 760 . 1 1 81 81 GLN CG C 13 33.592 0.166 . . . . . . . . . . 6310 1 761 . 1 1 81 81 GLN C C 13 176.011 0.035 . . . . . . . . . . 6310 1 762 . 1 1 81 81 GLN HA H 1 5.084 0.005 . . . . . . . . . . 6310 1 763 . 1 1 81 81 GLN HB2 H 1 1.870 0.014 . . . . . . . . . . 6310 1 764 . 1 1 81 81 GLN HE21 H 1 6.773 0.008 . . . . . . . . . . 6310 1 765 . 1 1 81 81 GLN HE22 H 1 7.316 0.005 . . . . . . . . . . 6310 1 766 . 1 1 81 81 GLN HG2 H 1 2.338 0.016 . . . . . . . . . . 6310 1 767 . 1 1 81 81 GLN HG3 H 1 2.141 0.020 . . . . . . . . . . 6310 1 768 . 1 1 81 81 GLN H H 1 8.412 0.012 . . . . . . . . . . 6310 1 769 . 1 1 81 81 GLN N N 15 119.164 0.070 . . . . . . . . . . 6310 1 770 . 1 1 81 81 GLN NE2 N 15 110.285 0.186 . . . . . . . . . . 6310 1 771 . 1 1 82 82 PHE CA C 13 55.355 0.009 . . . . . . . . . . 6310 1 772 . 1 1 82 82 PHE CB C 13 42.025 0.083 . . . . . . . . . . 6310 1 773 . 1 1 82 82 PHE C C 13 174.234 0.011 . . . . . . . . . . 6310 1 774 . 1 1 82 82 PHE HA H 1 5.105 0.014 . . . . . . . . . . 6310 1 775 . 1 1 82 82 PHE HB2 H 1 2.991 0.020 . . . . . . . . . . 6310 1 776 . 1 1 82 82 PHE HB3 H 1 2.737 0.024 . . . . . . . . . . 6310 1 777 . 1 1 82 82 PHE HD1 H 1 7.229 0.010 . . . . . . . . . . 6310 1 778 . 1 1 82 82 PHE HE1 H 1 7.497 0.010 . . . . . . . . . . 6310 1 779 . 1 1 82 82 PHE H H 1 8.710 0.009 . . . . . . . . . . 6310 1 780 . 1 1 82 82 PHE N N 15 117.977 0.053 . . . . . . . . . . 6310 1 781 . 1 1 83 83 GLU CA C 13 57.013 0.101 . . . . . . . . . . 6310 1 782 . 1 1 83 83 GLU CB C 13 30.117 0.034 . . . . . . . . . . 6310 1 783 . 1 1 83 83 GLU CG C 13 35.990 0.085 . . . . . . . . . . 6310 1 784 . 1 1 83 83 GLU C C 13 176.342 0.012 . . . . . . . . . . 6310 1 785 . 1 1 83 83 GLU HA H 1 3.913 0.008 . . . . . . . . . . 6310 1 786 . 1 1 83 83 GLU HB2 H 1 2.027 0.008 . . . . . . . . . . 6310 1 787 . 1 1 83 83 GLU HG2 H 1 2.348 0.013 . . . . . . . . . . 6310 1 788 . 1 1 83 83 GLU HG3 H 1 2.199 0.023 . . . . . . . . . . 6310 1 789 . 1 1 83 83 GLU H H 1 9.581 0.013 . . . . . . . . . . 6310 1 790 . 1 1 83 83 GLU N N 15 120.571 0.043 . . . . . . . . . . 6310 1 791 . 1 1 84 84 ASP CA C 13 55.188 0.013 . . . . . . . . . . 6310 1 792 . 1 1 84 84 ASP CB C 13 41.454 0.013 . . . . . . . . . . 6310 1 793 . 1 1 84 84 ASP C C 13 175.877 0.028 . . . . . . . . . . 6310 1 794 . 1 1 84 84 ASP HA H 1 4.205 0.020 . . . . . . . . . . 6310 1 795 . 1 1 84 84 ASP HB2 H 1 2.456 0.021 . . . . . . . . . . 6310 1 796 . 1 1 84 84 ASP H H 1 8.843 0.011 . . . . . . . . . . 6310 1 797 . 1 1 84 84 ASP N N 15 117.866 0.059 . . . . . . . . . . 6310 1 798 . 1 1 85 85 GLU CA C 13 55.480 0.030 . . . . . . . . . . 6310 1 799 . 1 1 85 85 GLU CB C 13 31.848 0.086 . . . . . . . . . . 6310 1 800 . 1 1 85 85 GLU CG C 13 37.514 0.005 . . . . . . . . . . 6310 1 801 . 1 1 85 85 GLU C C 13 174.282 0.028 . . . . . . . . . . 6310 1 802 . 1 1 85 85 GLU HA H 1 4.551 0.011 . . . . . . . . . . 6310 1 803 . 1 1 85 85 GLU HB2 H 1 2.265 0.015 . . . . . . . . . . 6310 1 804 . 1 1 85 85 GLU HB3 H 1 2.099 0.025 . . . . . . . . . . 6310 1 805 . 1 1 85 85 GLU HG2 H 1 2.404 0.012 . . . . . . . . . . 6310 1 806 . 1 1 85 85 GLU H H 1 8.177 0.012 . . . . . . . . . . 6310 1 807 . 1 1 85 85 GLU N N 15 123.664 0.079 . . . . . . . . . . 6310 1 808 . 1 1 86 86 LEU CA C 13 54.493 0.028 . . . . . . . . . . 6310 1 809 . 1 1 86 86 LEU CB C 13 41.414 0.143 . . . . . . . . . . 6310 1 810 . 1 1 86 86 LEU CD1 C 13 25.675 0.004 . . . . . . . . . . 6310 1 811 . 1 1 86 86 LEU CD2 C 13 21.747 0.037 . . . . . . . . . . 6310 1 812 . 1 1 86 86 LEU CG C 13 26.656 0.100 . . . . . . . . . . 6310 1 813 . 1 1 86 86 LEU C C 13 176.758 0.009 . . . . . . . . . . 6310 1 814 . 1 1 86 86 LEU HA H 1 4.390 0.010 . . . . . . . . . . 6310 1 815 . 1 1 86 86 LEU HB2 H 1 1.719 0.014 . . . . . . . . . . 6310 1 816 . 1 1 86 86 LEU HB3 H 1 1.346 0.016 . . . . . . . . . . 6310 1 817 . 1 1 86 86 LEU HD11 H 1 0.776 0.015 . . . . . . . . . . 6310 1 818 . 1 1 86 86 LEU HD12 H 1 0.776 0.015 . . . . . . . . . . 6310 1 819 . 1 1 86 86 LEU HD13 H 1 0.776 0.015 . . . . . . . . . . 6310 1 820 . 1 1 86 86 LEU HD21 H 1 0.555 0.009 . . . . . . . . . . 6310 1 821 . 1 1 86 86 LEU HD22 H 1 0.555 0.009 . . . . . . . . . . 6310 1 822 . 1 1 86 86 LEU HD23 H 1 0.555 0.009 . . . . . . . . . . 6310 1 823 . 1 1 86 86 LEU HG H 1 1.486 0.019 . . . . . . . . . . 6310 1 824 . 1 1 86 86 LEU H H 1 8.450 0.007 . . . . . . . . . . 6310 1 825 . 1 1 86 86 LEU N N 15 122.029 0.041 . . . . . . . . . . 6310 1 826 . 1 1 87 87 HIS CA C 13 55.725 0.100 . . . . . . . . . . 6310 1 827 . 1 1 87 87 HIS CB C 13 34.800 0.140 . . . . . . . . . . 6310 1 828 . 1 1 87 87 HIS C C 13 175.149 0.100 . . . . . . . . . . 6310 1 829 . 1 1 87 87 HIS HA H 1 4.821 0.010 . . . . . . . . . . 6310 1 830 . 1 1 87 87 HIS HB2 H 1 3.065 0.013 . . . . . . . . . . 6310 1 831 . 1 1 87 87 HIS HB3 H 1 2.891 0.010 . . . . . . . . . . 6310 1 832 . 1 1 87 87 HIS H H 1 8.497 0.009 . . . . . . . . . . 6310 1 833 . 1 1 87 87 HIS N N 15 124.471 0.106 . . . . . . . . . . 6310 1 834 . 1 1 88 88 PRO CA C 13 64.320 0.201 . . . . . . . . . . 6310 1 835 . 1 1 88 88 PRO CB C 13 32.402 0.006 . . . . . . . . . . 6310 1 836 . 1 1 88 88 PRO CD C 13 50.093 0.100 . . . . . . . . . . 6310 1 837 . 1 1 88 88 PRO HA H 1 4.257 0.004 . . . . . . . . . . 6310 1 838 . 1 1 88 88 PRO HB2 H 1 2.211 0.010 . . . . . . . . . . 6310 1 839 . 1 1 88 88 PRO HB3 H 1 1.869 0.010 . . . . . . . . . . 6310 1 840 . 1 1 89 89 ASP CA C 13 54.995 0.104 . . . . . . . . . . 6310 1 841 . 1 1 89 89 ASP CB C 13 40.879 0.031 . . . . . . . . . . 6310 1 842 . 1 1 89 89 ASP C C 13 176.486 0.048 . . . . . . . . . . 6310 1 843 . 1 1 89 89 ASP HA H 1 4.599 0.013 . . . . . . . . . . 6310 1 844 . 1 1 89 89 ASP HB2 H 1 2.667 0.007 . . . . . . . . . . 6310 1 845 . 1 1 89 89 ASP H H 1 10.317 0.015 . . . . . . . . . . 6310 1 846 . 1 1 89 89 ASP N N 15 118.104 0.069 . . . . . . . . . . 6310 1 847 . 1 1 90 90 LEU CA C 13 54.347 0.018 . . . . . . . . . . 6310 1 848 . 1 1 90 90 LEU CB C 13 41.894 0.091 . . . . . . . . . . 6310 1 849 . 1 1 90 90 LEU CD1 C 13 22.169 0.100 . . . . . . . . . . 6310 1 850 . 1 1 90 90 LEU CD2 C 13 26.100 0.100 . . . . . . . . . . 6310 1 851 . 1 1 90 90 LEU CG C 13 26.587 0.100 . . . . . . . . . . 6310 1 852 . 1 1 90 90 LEU C C 13 173.797 0.033 . . . . . . . . . . 6310 1 853 . 1 1 90 90 LEU HA H 1 4.421 0.010 . . . . . . . . . . 6310 1 854 . 1 1 90 90 LEU HB2 H 1 1.770 0.012 . . . . . . . . . . 6310 1 855 . 1 1 90 90 LEU HB3 H 1 0.969 0.019 . . . . . . . . . . 6310 1 856 . 1 1 90 90 LEU HD11 H 1 0.031 0.010 . . . . . . . . . . 6310 1 857 . 1 1 90 90 LEU HD12 H 1 0.031 0.010 . . . . . . . . . . 6310 1 858 . 1 1 90 90 LEU HD13 H 1 0.031 0.010 . . . . . . . . . . 6310 1 859 . 1 1 90 90 LEU HD21 H 1 0.459 0.009 . . . . . . . . . . 6310 1 860 . 1 1 90 90 LEU HD22 H 1 0.459 0.009 . . . . . . . . . . 6310 1 861 . 1 1 90 90 LEU HD23 H 1 0.459 0.009 . . . . . . . . . . 6310 1 862 . 1 1 90 90 LEU HG H 1 0.980 0.009 . . . . . . . . . . 6310 1 863 . 1 1 90 90 LEU H H 1 7.618 0.009 . . . . . . . . . . 6310 1 864 . 1 1 90 90 LEU N N 15 121.139 0.033 . . . . . . . . . . 6310 1 865 . 1 1 91 91 LYS CA C 13 54.140 0.057 . . . . . . . . . . 6310 1 866 . 1 1 91 91 LYS CB C 13 37.290 0.073 . . . . . . . . . . 6310 1 867 . 1 1 91 91 LYS CD C 13 28.812 0.100 . . . . . . . . . . 6310 1 868 . 1 1 91 91 LYS CE C 13 42.140 0.045 . . . . . . . . . . 6310 1 869 . 1 1 91 91 LYS CG C 13 25.550 0.100 . . . . . . . . . . 6310 1 870 . 1 1 91 91 LYS C C 13 176.485 0.013 . . . . . . . . . . 6310 1 871 . 1 1 91 91 LYS HA H 1 4.369 0.007 . . . . . . . . . . 6310 1 872 . 1 1 91 91 LYS HB2 H 1 2.112 0.016 . . . . . . . . . . 6310 1 873 . 1 1 91 91 LYS HB3 H 1 1.443 0.016 . . . . . . . . . . 6310 1 874 . 1 1 91 91 LYS HD2 H 1 1.730 0.010 . . . . . . . . . . 6310 1 875 . 1 1 91 91 LYS HE2 H 1 2.907 0.005 . . . . . . . . . . 6310 1 876 . 1 1 91 91 LYS HG2 H 1 1.160 0.010 . . . . . . . . . . 6310 1 877 . 1 1 91 91 LYS H H 1 7.766 0.010 . . . . . . . . . . 6310 1 878 . 1 1 91 91 LYS N N 15 122.957 0.059 . . . . . . . . . . 6310 1 879 . 1 1 92 92 PHE CA C 13 58.997 0.065 . . . . . . . . . . 6310 1 880 . 1 1 92 92 PHE CB C 13 37.154 0.077 . . . . . . . . . . 6310 1 881 . 1 1 92 92 PHE C C 13 178.055 0.017 . . . . . . . . . . 6310 1 882 . 1 1 92 92 PHE HA H 1 4.480 0.007 . . . . . . . . . . 6310 1 883 . 1 1 92 92 PHE HB2 H 1 3.088 0.023 . . . . . . . . . . 6310 1 884 . 1 1 92 92 PHE HB3 H 1 2.497 0.007 . . . . . . . . . . 6310 1 885 . 1 1 92 92 PHE H H 1 10.272 0.011 . . . . . . . . . . 6310 1 886 . 1 1 92 92 PHE N N 15 123.572 0.081 . . . . . . . . . . 6310 1 887 . 1 1 93 93 THR CA C 13 61.913 0.141 . . . . . . . . . . 6310 1 888 . 1 1 93 93 THR CB C 13 69.572 0.091 . . . . . . . . . . 6310 1 889 . 1 1 93 93 THR CG2 C 13 21.936 0.100 . . . . . . . . . . 6310 1 890 . 1 1 93 93 THR C C 13 175.269 0.041 . . . . . . . . . . 6310 1 891 . 1 1 93 93 THR HA H 1 4.079 0.014 . . . . . . . . . . 6310 1 892 . 1 1 93 93 THR HB H 1 4.406 0.006 . . . . . . . . . . 6310 1 893 . 1 1 93 93 THR HG21 H 1 1.042 0.007 . . . . . . . . . . 6310 1 894 . 1 1 93 93 THR HG22 H 1 1.042 0.007 . . . . . . . . . . 6310 1 895 . 1 1 93 93 THR HG23 H 1 1.042 0.007 . . . . . . . . . . 6310 1 896 . 1 1 93 93 THR H H 1 7.727 0.007 . . . . . . . . . . 6310 1 897 . 1 1 93 93 THR N N 15 109.302 0.074 . . . . . . . . . . 6310 1 898 . 1 1 94 94 GLY CA C 13 45.129 0.114 . . . . . . . . . . 6310 1 899 . 1 1 94 94 GLY C C 13 170.303 0.019 . . . . . . . . . . 6310 1 900 . 1 1 94 94 GLY HA2 H 1 3.875 0.016 . . . . . . . . . . 6310 1 901 . 1 1 94 94 GLY H H 1 7.200 0.010 . . . . . . . . . . 6310 1 902 . 1 1 94 94 GLY N N 15 106.753 0.081 . . . . . . . . . . 6310 1 903 . 1 1 95 95 ALA CA C 13 52.407 0.081 . . . . . . . . . . 6310 1 904 . 1 1 95 95 ALA CB C 13 19.962 0.092 . . . . . . . . . . 6310 1 905 . 1 1 95 95 ALA C C 13 177.943 0.013 . . . . . . . . . . 6310 1 906 . 1 1 95 95 ALA HA H 1 3.689 0.011 . . . . . . . . . . 6310 1 907 . 1 1 95 95 ALA HB1 H 1 1.091 0.009 . . . . . . . . . . 6310 1 908 . 1 1 95 95 ALA HB2 H 1 1.091 0.009 . . . . . . . . . . 6310 1 909 . 1 1 95 95 ALA HB3 H 1 1.091 0.009 . . . . . . . . . . 6310 1 910 . 1 1 95 95 ALA H H 1 8.398 0.005 . . . . . . . . . . 6310 1 911 . 1 1 95 95 ALA N N 15 119.218 0.063 . . . . . . . . . . 6310 1 912 . 1 1 96 96 GLY CA C 13 45.418 0.074 . . . . . . . . . . 6310 1 913 . 1 1 96 96 GLY C C 13 172.490 0.020 . . . . . . . . . . 6310 1 914 . 1 1 96 96 GLY HA2 H 1 4.051 0.017 . . . . . . . . . . 6310 1 915 . 1 1 96 96 GLY HA3 H 1 3.080 0.007 . . . . . . . . . . 6310 1 916 . 1 1 96 96 GLY H H 1 8.753 0.007 . . . . . . . . . . 6310 1 917 . 1 1 96 96 GLY N N 15 107.755 0.031 . . . . . . . . . . 6310 1 918 . 1 1 97 97 ILE CA C 13 62.311 0.102 . . . . . . . . . . 6310 1 919 . 1 1 97 97 ILE CB C 13 37.638 0.091 . . . . . . . . . . 6310 1 920 . 1 1 97 97 ILE CD1 C 13 14.282 0.004 . . . . . . . . . . 6310 1 921 . 1 1 97 97 ILE CG1 C 13 26.380 0.100 . . . . . . . . . . 6310 1 922 . 1 1 97 97 ILE CG2 C 13 19.507 0.100 . . . . . . . . . . 6310 1 923 . 1 1 97 97 ILE C C 13 172.737 0.015 . . . . . . . . . . 6310 1 924 . 1 1 97 97 ILE HA H 1 3.729 0.010 . . . . . . . . . . 6310 1 925 . 1 1 97 97 ILE HB H 1 1.960 0.010 . . . . . . . . . . 6310 1 926 . 1 1 97 97 ILE HD11 H 1 1.016 0.009 . . . . . . . . . . 6310 1 927 . 1 1 97 97 ILE HD12 H 1 1.016 0.009 . . . . . . . . . . 6310 1 928 . 1 1 97 97 ILE HD13 H 1 1.016 0.009 . . . . . . . . . . 6310 1 929 . 1 1 97 97 ILE HG12 H 1 1.423 0.010 . . . . . . . . . . 6310 1 930 . 1 1 97 97 ILE HG21 H 1 0.640 0.007 . . . . . . . . . . 6310 1 931 . 1 1 97 97 ILE HG22 H 1 0.640 0.007 . . . . . . . . . . 6310 1 932 . 1 1 97 97 ILE HG23 H 1 0.640 0.007 . . . . . . . . . . 6310 1 933 . 1 1 97 97 ILE H H 1 7.726 0.006 . . . . . . . . . . 6310 1 934 . 1 1 97 97 ILE N N 15 122.055 0.079 . . . . . . . . . . 6310 1 935 . 1 1 98 98 LEU CA C 13 53.029 0.137 . . . . . . . . . . 6310 1 936 . 1 1 98 98 LEU CB C 13 44.067 0.027 . . . . . . . . . . 6310 1 937 . 1 1 98 98 LEU CD1 C 13 22.620 0.100 . . . . . . . . . . 6310 1 938 . 1 1 98 98 LEU CD2 C 13 22.573 0.018 . . . . . . . . . . 6310 1 939 . 1 1 98 98 LEU CG C 13 25.486 0.041 . . . . . . . . . . 6310 1 940 . 1 1 98 98 LEU C C 13 172.929 0.031 . . . . . . . . . . 6310 1 941 . 1 1 98 98 LEU HA H 1 4.584 0.016 . . . . . . . . . . 6310 1 942 . 1 1 98 98 LEU HB2 H 1 0.457 0.015 . . . . . . . . . . 6310 1 943 . 1 1 98 98 LEU HB3 H 1 0.101 0.020 . . . . . . . . . . 6310 1 944 . 1 1 98 98 LEU HD11 H 1 0.030 0.009 . . . . . . . . . . 6310 1 945 . 1 1 98 98 LEU HD12 H 1 0.030 0.009 . . . . . . . . . . 6310 1 946 . 1 1 98 98 LEU HD13 H 1 0.030 0.009 . . . . . . . . . . 6310 1 947 . 1 1 98 98 LEU HD21 H 1 -0.802 0.005 . . . . . . . . . . 6310 1 948 . 1 1 98 98 LEU HD22 H 1 -0.802 0.005 . . . . . . . . . . 6310 1 949 . 1 1 98 98 LEU HD23 H 1 -0.802 0.005 . . . . . . . . . . 6310 1 950 . 1 1 98 98 LEU HG H 1 -0.654 0.008 . . . . . . . . . . 6310 1 951 . 1 1 98 98 LEU H H 1 7.457 0.013 . . . . . . . . . . 6310 1 952 . 1 1 98 98 LEU N N 15 128.929 0.049 . . . . . . . . . . 6310 1 953 . 1 1 99 99 ALA CA C 13 49.804 0.070 . . . . . . . . . . 6310 1 954 . 1 1 99 99 ALA CB C 13 24.855 0.044 . . . . . . . . . . 6310 1 955 . 1 1 99 99 ALA C C 13 175.920 0.020 . . . . . . . . . . 6310 1 956 . 1 1 99 99 ALA HA H 1 5.313 0.012 . . . . . . . . . . 6310 1 957 . 1 1 99 99 ALA HB1 H 1 0.539 0.010 . . . . . . . . . . 6310 1 958 . 1 1 99 99 ALA HB2 H 1 0.539 0.010 . . . . . . . . . . 6310 1 959 . 1 1 99 99 ALA HB3 H 1 0.539 0.010 . . . . . . . . . . 6310 1 960 . 1 1 99 99 ALA H H 1 8.502 0.014 . . . . . . . . . . 6310 1 961 . 1 1 99 99 ALA N N 15 128.480 0.066 . . . . . . . . . . 6310 1 962 . 1 1 100 100 MET CA C 13 52.814 0.050 . . . . . . . . . . 6310 1 963 . 1 1 100 100 MET CB C 13 31.796 0.100 . . . . . . . . . . 6310 1 964 . 1 1 100 100 MET CE C 13 16.291 0.014 . . . . . . . . . . 6310 1 965 . 1 1 100 100 MET CG C 13 31.812 0.100 . . . . . . . . . . 6310 1 966 . 1 1 100 100 MET C C 13 177.923 0.010 . . . . . . . . . . 6310 1 967 . 1 1 100 100 MET HA H 1 5.325 0.009 . . . . . . . . . . 6310 1 968 . 1 1 100 100 MET HB2 H 1 2.315 0.010 . . . . . . . . . . 6310 1 969 . 1 1 100 100 MET HE1 H 1 2.030 0.007 . . . . . . . . . . 6310 1 970 . 1 1 100 100 MET HE2 H 1 2.030 0.007 . . . . . . . . . . 6310 1 971 . 1 1 100 100 MET HE3 H 1 2.030 0.007 . . . . . . . . . . 6310 1 972 . 1 1 100 100 MET HG2 H 1 2.044 0.014 . . . . . . . . . . 6310 1 973 . 1 1 100 100 MET H H 1 8.101 0.013 . . . . . . . . . . 6310 1 974 . 1 1 100 100 MET N N 15 116.120 0.070 . . . . . . . . . . 6310 1 975 . 1 1 101 101 ALA CA C 13 51.441 0.082 . . . . . . . . . . 6310 1 976 . 1 1 101 101 ALA CB C 13 20.342 0.083 . . . . . . . . . . 6310 1 977 . 1 1 101 101 ALA C C 13 175.437 0.043 . . . . . . . . . . 6310 1 978 . 1 1 101 101 ALA HA H 1 4.507 0.017 . . . . . . . . . . 6310 1 979 . 1 1 101 101 ALA HB1 H 1 1.300 0.007 . . . . . . . . . . 6310 1 980 . 1 1 101 101 ALA HB2 H 1 1.300 0.007 . . . . . . . . . . 6310 1 981 . 1 1 101 101 ALA HB3 H 1 1.300 0.007 . . . . . . . . . . 6310 1 982 . 1 1 101 101 ALA H H 1 8.049 0.008 . . . . . . . . . . 6310 1 983 . 1 1 101 101 ALA N N 15 125.460 0.054 . . . . . . . . . . 6310 1 984 . 1 1 102 102 ASN CA C 13 54.145 0.052 . . . . . . . . . . 6310 1 985 . 1 1 102 102 ASN CB C 13 40.569 0.079 . . . . . . . . . . 6310 1 986 . 1 1 102 102 ASN C C 13 174.044 0.064 . . . . . . . . . . 6310 1 987 . 1 1 102 102 ASN HA H 1 4.583 0.014 . . . . . . . . . . 6310 1 988 . 1 1 102 102 ASN HB2 H 1 3.243 0.012 . . . . . . . . . . 6310 1 989 . 1 1 102 102 ASN HB3 H 1 2.867 0.006 . . . . . . . . . . 6310 1 990 . 1 1 102 102 ASN HD21 H 1 6.639 0.004 . . . . . . . . . . 6310 1 991 . 1 1 102 102 ASN HD22 H 1 7.987 0.005 . . . . . . . . . . 6310 1 992 . 1 1 102 102 ASN H H 1 8.536 0.006 . . . . . . . . . . 6310 1 993 . 1 1 102 102 ASN N N 15 114.060 0.056 . . . . . . . . . . 6310 1 994 . 1 1 102 102 ASN ND2 N 15 120.147 0.044 . . . . . . . . . . 6310 1 995 . 1 1 103 103 ALA CA C 13 50.318 0.069 . . . . . . . . . . 6310 1 996 . 1 1 103 103 ALA CB C 13 19.321 0.054 . . . . . . . . . . 6310 1 997 . 1 1 103 103 ALA C C 13 176.911 0.026 . . . . . . . . . . 6310 1 998 . 1 1 103 103 ALA HA H 1 4.727 0.018 . . . . . . . . . . 6310 1 999 . 1 1 103 103 ALA HB1 H 1 1.262 0.013 . . . . . . . . . . 6310 1 1000 . 1 1 103 103 ALA HB2 H 1 1.262 0.013 . . . . . . . . . . 6310 1 1001 . 1 1 103 103 ALA HB3 H 1 1.262 0.013 . . . . . . . . . . 6310 1 1002 . 1 1 103 103 ALA H H 1 8.704 0.009 . . . . . . . . . . 6310 1 1003 . 1 1 103 103 ALA N N 15 123.368 0.042 . . . . . . . . . . 6310 1 1004 . 1 1 104 104 GLY CA C 13 43.466 0.063 . . . . . . . . . . 6310 1 1005 . 1 1 104 104 GLY C C 13 171.738 0.100 . . . . . . . . . . 6310 1 1006 . 1 1 104 104 GLY HA2 H 1 4.578 0.023 . . . . . . . . . . 6310 1 1007 . 1 1 104 104 GLY HA3 H 1 3.640 0.009 . . . . . . . . . . 6310 1 1008 . 1 1 104 104 GLY H H 1 8.025 0.007 . . . . . . . . . . 6310 1 1009 . 1 1 104 104 GLY N N 15 109.554 0.048 . . . . . . . . . . 6310 1 1010 . 1 1 105 105 PRO CA C 13 63.968 0.108 . . . . . . . . . . 6310 1 1011 . 1 1 105 105 PRO CB C 13 31.997 0.114 . . . . . . . . . . 6310 1 1012 . 1 1 105 105 PRO CD C 13 51.035 0.041 . . . . . . . . . . 6310 1 1013 . 1 1 105 105 PRO C C 13 175.834 0.039 . . . . . . . . . . 6310 1 1014 . 1 1 105 105 PRO HA H 1 4.236 0.004 . . . . . . . . . . 6310 1 1015 . 1 1 105 105 PRO HB2 H 1 2.176 0.017 . . . . . . . . . . 6310 1 1016 . 1 1 105 105 PRO HB3 H 1 1.686 0.014 . . . . . . . . . . 6310 1 1017 . 1 1 105 105 PRO HD2 H 1 3.410 0.010 . . . . . . . . . . 6310 1 1018 . 1 1 105 105 PRO HG2 H 1 2.484 0.012 . . . . . . . . . . 6310 1 1019 . 1 1 106 106 ASP CA C 13 55.155 0.100 . . . . . . . . . . 6310 1 1020 . 1 1 106 106 ASP CB C 13 39.377 0.054 . . . . . . . . . . 6310 1 1021 . 1 1 106 106 ASP C C 13 175.236 0.034 . . . . . . . . . . 6310 1 1022 . 1 1 106 106 ASP HA H 1 3.929 0.010 . . . . . . . . . . 6310 1 1023 . 1 1 106 106 ASP HB2 H 1 2.768 0.009 . . . . . . . . . . 6310 1 1024 . 1 1 106 106 ASP HB3 H 1 2.529 0.016 . . . . . . . . . . 6310 1 1025 . 1 1 106 106 ASP H H 1 8.442 0.013 . . . . . . . . . . 6310 1 1026 . 1 1 106 106 ASP N N 15 120.576 0.070 . . . . . . . . . . 6310 1 1027 . 1 1 107 107 THR CA C 13 59.748 0.116 . . . . . . . . . . 6310 1 1028 . 1 1 107 107 THR CB C 13 68.875 0.016 . . . . . . . . . . 6310 1 1029 . 1 1 107 107 THR CG2 C 13 20.920 0.100 . . . . . . . . . . 6310 1 1030 . 1 1 107 107 THR C C 13 173.765 0.048 . . . . . . . . . . 6310 1 1031 . 1 1 107 107 THR HA H 1 4.398 0.008 . . . . . . . . . . 6310 1 1032 . 1 1 107 107 THR HB H 1 4.313 0.014 . . . . . . . . . . 6310 1 1033 . 1 1 107 107 THR HG21 H 1 0.812 0.009 . . . . . . . . . . 6310 1 1034 . 1 1 107 107 THR HG22 H 1 0.812 0.009 . . . . . . . . . . 6310 1 1035 . 1 1 107 107 THR HG23 H 1 0.812 0.009 . . . . . . . . . . 6310 1 1036 . 1 1 107 107 THR H H 1 9.634 0.007 . . . . . . . . . . 6310 1 1037 . 1 1 107 107 THR N N 15 109.575 0.062 . . . . . . . . . . 6310 1 1038 . 1 1 108 108 ASN CA C 13 56.288 0.061 . . . . . . . . . . 6310 1 1039 . 1 1 108 108 ASN CB C 13 39.487 0.067 . . . . . . . . . . 6310 1 1040 . 1 1 108 108 ASN C C 13 174.028 0.013 . . . . . . . . . . 6310 1 1041 . 1 1 108 108 ASN HA H 1 4.057 0.009 . . . . . . . . . . 6310 1 1042 . 1 1 108 108 ASN HB2 H 1 1.367 0.008 . . . . . . . . . . 6310 1 1043 . 1 1 108 108 ASN HB3 H 1 0.620 0.016 . . . . . . . . . . 6310 1 1044 . 1 1 108 108 ASN HD21 H 1 6.436 0.006 . . . . . . . . . . 6310 1 1045 . 1 1 108 108 ASN HD22 H 1 7.261 0.012 . . . . . . . . . . 6310 1 1046 . 1 1 108 108 ASN H H 1 7.268 0.010 . . . . . . . . . . 6310 1 1047 . 1 1 108 108 ASN N N 15 120.551 0.064 . . . . . . . . . . 6310 1 1048 . 1 1 108 108 ASN ND2 N 15 113.440 0.113 . . . . . . . . . . 6310 1 1049 . 1 1 109 109 GLY CA C 13 45.719 0.090 . . . . . . . . . . 6310 1 1050 . 1 1 109 109 GLY C C 13 171.030 0.041 . . . . . . . . . . 6310 1 1051 . 1 1 109 109 GLY HA2 H 1 4.567 0.013 . . . . . . . . . . 6310 1 1052 . 1 1 109 109 GLY HA3 H 1 3.572 0.014 . . . . . . . . . . 6310 1 1053 . 1 1 109 109 GLY H H 1 8.888 0.012 . . . . . . . . . . 6310 1 1054 . 1 1 109 109 GLY N N 15 110.827 0.078 . . . . . . . . . . 6310 1 1055 . 1 1 110 110 SER CA C 13 58.381 0.038 . . . . . . . . . . 6310 1 1056 . 1 1 110 110 SER CB C 13 67.475 0.075 . . . . . . . . . . 6310 1 1057 . 1 1 110 110 SER C C 13 175.672 0.025 . . . . . . . . . . 6310 1 1058 . 1 1 110 110 SER HA H 1 4.630 0.010 . . . . . . . . . . 6310 1 1059 . 1 1 110 110 SER HB2 H 1 4.483 0.010 . . . . . . . . . . 6310 1 1060 . 1 1 110 110 SER H H 1 9.076 0.012 . . . . . . . . . . 6310 1 1061 . 1 1 110 110 SER N N 15 119.066 0.057 . . . . . . . . . . 6310 1 1062 . 1 1 111 111 GLN CA C 13 57.796 0.005 . . . . . . . . . . 6310 1 1063 . 1 1 111 111 GLN CB C 13 32.576 0.103 . . . . . . . . . . 6310 1 1064 . 1 1 111 111 GLN CG C 13 35.439 0.100 . . . . . . . . . . 6310 1 1065 . 1 1 111 111 GLN C C 13 175.156 0.014 . . . . . . . . . . 6310 1 1066 . 1 1 111 111 GLN HA H 1 5.086 0.011 . . . . . . . . . . 6310 1 1067 . 1 1 111 111 GLN HB2 H 1 2.045 0.007 . . . . . . . . . . 6310 1 1068 . 1 1 111 111 GLN HG2 H 1 2.809 0.010 . . . . . . . . . . 6310 1 1069 . 1 1 111 111 GLN H H 1 8.335 0.008 . . . . . . . . . . 6310 1 1070 . 1 1 111 111 GLN N N 15 124.533 0.044 . . . . . . . . . . 6310 1 1071 . 1 1 112 112 PHE CA C 13 55.004 0.100 . . . . . . . . . . 6310 1 1072 . 1 1 112 112 PHE CB C 13 43.141 0.025 . . . . . . . . . . 6310 1 1073 . 1 1 112 112 PHE C C 13 171.741 0.053 . . . . . . . . . . 6310 1 1074 . 1 1 112 112 PHE HA H 1 5.789 0.008 . . . . . . . . . . 6310 1 1075 . 1 1 112 112 PHE HB2 H 1 3.032 0.030 . . . . . . . . . . 6310 1 1076 . 1 1 112 112 PHE H H 1 8.129 0.014 . . . . . . . . . . 6310 1 1077 . 1 1 112 112 PHE N N 15 117.907 0.137 . . . . . . . . . . 6310 1 1078 . 1 1 113 113 PHE CA C 13 54.969 0.135 . . . . . . . . . . 6310 1 1079 . 1 1 113 113 PHE CB C 13 44.175 0.095 . . . . . . . . . . 6310 1 1080 . 1 1 113 113 PHE C C 13 172.234 0.036 . . . . . . . . . . 6310 1 1081 . 1 1 113 113 PHE HA H 1 5.663 0.027 . . . . . . . . . . 6310 1 1082 . 1 1 113 113 PHE HB2 H 1 2.832 0.022 . . . . . . . . . . 6310 1 1083 . 1 1 113 113 PHE HB3 H 1 2.487 0.021 . . . . . . . . . . 6310 1 1084 . 1 1 113 113 PHE HD1 H 1 6.446 0.011 . . . . . . . . . . 6310 1 1085 . 1 1 113 113 PHE H H 1 9.620 0.013 . . . . . . . . . . 6310 1 1086 . 1 1 113 113 PHE N N 15 115.815 0.047 . . . . . . . . . . 6310 1 1087 . 1 1 114 114 VAL CA C 13 59.228 0.086 . . . . . . . . . . 6310 1 1088 . 1 1 114 114 VAL CB C 13 34.562 0.061 . . . . . . . . . . 6310 1 1089 . 1 1 114 114 VAL CG1 C 13 22.058 0.100 . . . . . . . . . . 6310 1 1090 . 1 1 114 114 VAL CG2 C 13 20.728 0.100 . . . . . . . . . . 6310 1 1091 . 1 1 114 114 VAL C C 13 177.182 0.029 . . . . . . . . . . 6310 1 1092 . 1 1 114 114 VAL HA H 1 5.283 0.014 . . . . . . . . . . 6310 1 1093 . 1 1 114 114 VAL HB H 1 1.542 0.015 . . . . . . . . . . 6310 1 1094 . 1 1 114 114 VAL HG11 H 1 0.634 0.008 . . . . . . . . . . 6310 1 1095 . 1 1 114 114 VAL HG12 H 1 0.634 0.008 . . . . . . . . . . 6310 1 1096 . 1 1 114 114 VAL HG13 H 1 0.634 0.008 . . . . . . . . . . 6310 1 1097 . 1 1 114 114 VAL HG21 H 1 0.647 0.006 . . . . . . . . . . 6310 1 1098 . 1 1 114 114 VAL HG22 H 1 0.647 0.006 . . . . . . . . . . 6310 1 1099 . 1 1 114 114 VAL HG23 H 1 0.647 0.006 . . . . . . . . . . 6310 1 1100 . 1 1 114 114 VAL H H 1 8.710 0.013 . . . . . . . . . . 6310 1 1101 . 1 1 114 114 VAL N N 15 117.330 0.079 . . . . . . . . . . 6310 1 1102 . 1 1 115 115 THR CA C 13 62.039 0.117 . . . . . . . . . . 6310 1 1103 . 1 1 115 115 THR CB C 13 71.591 0.014 . . . . . . . . . . 6310 1 1104 . 1 1 115 115 THR CG2 C 13 24.241 0.100 . . . . . . . . . . 6310 1 1105 . 1 1 115 115 THR C C 13 176.344 0.036 . . . . . . . . . . 6310 1 1106 . 1 1 115 115 THR HA H 1 4.640 0.016 . . . . . . . . . . 6310 1 1107 . 1 1 115 115 THR HB H 1 4.805 0.014 . . . . . . . . . . 6310 1 1108 . 1 1 115 115 THR HG21 H 1 1.474 0.008 . . . . . . . . . . 6310 1 1109 . 1 1 115 115 THR HG22 H 1 1.474 0.008 . . . . . . . . . . 6310 1 1110 . 1 1 115 115 THR HG23 H 1 1.474 0.008 . . . . . . . . . . 6310 1 1111 . 1 1 115 115 THR H H 1 8.966 0.015 . . . . . . . . . . 6310 1 1112 . 1 1 115 115 THR N N 15 116.368 0.041 . . . . . . . . . . 6310 1 1113 . 1 1 116 116 LEU CA C 13 53.671 0.144 . . . . . . . . . . 6310 1 1114 . 1 1 116 116 LEU CB C 13 43.023 0.022 . . . . . . . . . . 6310 1 1115 . 1 1 116 116 LEU CD1 C 13 26.187 0.028 . . . . . . . . . . 6310 1 1116 . 1 1 116 116 LEU CD2 C 13 23.572 0.010 . . . . . . . . . . 6310 1 1117 . 1 1 116 116 LEU CG C 13 27.135 0.100 . . . . . . . . . . 6310 1 1118 . 1 1 116 116 LEU C C 13 175.537 0.008 . . . . . . . . . . 6310 1 1119 . 1 1 116 116 LEU HA H 1 4.498 0.016 . . . . . . . . . . 6310 1 1120 . 1 1 116 116 LEU HB2 H 1 1.730 0.010 . . . . . . . . . . 6310 1 1121 . 1 1 116 116 LEU HB3 H 1 1.131 0.009 . . . . . . . . . . 6310 1 1122 . 1 1 116 116 LEU HD11 H 1 0.825 0.014 . . . . . . . . . . 6310 1 1123 . 1 1 116 116 LEU HD12 H 1 0.825 0.014 . . . . . . . . . . 6310 1 1124 . 1 1 116 116 LEU HD13 H 1 0.825 0.014 . . . . . . . . . . 6310 1 1125 . 1 1 116 116 LEU HD21 H 1 0.701 0.009 . . . . . . . . . . 6310 1 1126 . 1 1 116 116 LEU HD22 H 1 0.701 0.009 . . . . . . . . . . 6310 1 1127 . 1 1 116 116 LEU HD23 H 1 0.701 0.009 . . . . . . . . . . 6310 1 1128 . 1 1 116 116 LEU HG H 1 1.178 0.012 . . . . . . . . . . 6310 1 1129 . 1 1 116 116 LEU H H 1 8.102 0.010 . . . . . . . . . . 6310 1 1130 . 1 1 116 116 LEU N N 15 118.460 0.082 . . . . . . . . . . 6310 1 1131 . 1 1 117 117 ALA CA C 13 50.647 0.099 . . . . . . . . . . 6310 1 1132 . 1 1 117 117 ALA CB C 13 19.767 0.100 . . . . . . . . . . 6310 1 1133 . 1 1 117 117 ALA C C 13 172.610 0.100 . . . . . . . . . . 6310 1 1134 . 1 1 117 117 ALA HA H 1 4.449 0.018 . . . . . . . . . . 6310 1 1135 . 1 1 117 117 ALA HB1 H 1 1.312 0.013 . . . . . . . . . . 6310 1 1136 . 1 1 117 117 ALA HB2 H 1 1.312 0.013 . . . . . . . . . . 6310 1 1137 . 1 1 117 117 ALA HB3 H 1 1.312 0.013 . . . . . . . . . . 6310 1 1138 . 1 1 117 117 ALA H H 1 7.951 0.010 . . . . . . . . . . 6310 1 1139 . 1 1 117 117 ALA N N 15 123.170 0.057 . . . . . . . . . . 6310 1 1140 . 1 1 118 118 PRO CA C 13 63.996 0.094 . . . . . . . . . . 6310 1 1141 . 1 1 118 118 PRO CB C 13 31.487 0.022 . . . . . . . . . . 6310 1 1142 . 1 1 118 118 PRO C C 13 176.314 0.020 . . . . . . . . . . 6310 1 1143 . 1 1 118 118 PRO HA H 1 4.005 0.010 . . . . . . . . . . 6310 1 1144 . 1 1 118 118 PRO HB2 H 1 2.143 0.015 . . . . . . . . . . 6310 1 1145 . 1 1 119 119 THR CA C 13 57.355 0.136 . . . . . . . . . . 6310 1 1146 . 1 1 119 119 THR CB C 13 69.995 0.087 . . . . . . . . . . 6310 1 1147 . 1 1 119 119 THR CG2 C 13 20.030 0.100 . . . . . . . . . . 6310 1 1148 . 1 1 119 119 THR C C 13 177.135 0.041 . . . . . . . . . . 6310 1 1149 . 1 1 119 119 THR HA H 1 3.534 0.011 . . . . . . . . . . 6310 1 1150 . 1 1 119 119 THR HB H 1 2.680 0.013 . . . . . . . . . . 6310 1 1151 . 1 1 119 119 THR HG21 H 1 0.909 0.011 . . . . . . . . . . 6310 1 1152 . 1 1 119 119 THR HG22 H 1 0.909 0.011 . . . . . . . . . . 6310 1 1153 . 1 1 119 119 THR HG23 H 1 0.909 0.011 . . . . . . . . . . 6310 1 1154 . 1 1 119 119 THR H H 1 7.582 0.009 . . . . . . . . . . 6310 1 1155 . 1 1 119 119 THR N N 15 115.939 0.048 . . . . . . . . . . 6310 1 1156 . 1 1 120 120 GLN CA C 13 60.055 0.089 . . . . . . . . . . 6310 1 1157 . 1 1 120 120 GLN CB C 13 29.012 0.108 . . . . . . . . . . 6310 1 1158 . 1 1 120 120 GLN CG C 13 35.760 0.070 . . . . . . . . . . 6310 1 1159 . 1 1 120 120 GLN C C 13 176.981 0.028 . . . . . . . . . . 6310 1 1160 . 1 1 120 120 GLN HA H 1 4.099 0.012 . . . . . . . . . . 6310 1 1161 . 1 1 120 120 GLN HB2 H 1 2.240 0.011 . . . . . . . . . . 6310 1 1162 . 1 1 120 120 GLN HB3 H 1 1.994 0.014 . . . . . . . . . . 6310 1 1163 . 1 1 120 120 GLN HE21 H 1 8.307 0.005 . . . . . . . . . . 6310 1 1164 . 1 1 120 120 GLN HE22 H 1 6.936 0.004 . . . . . . . . . . 6310 1 1165 . 1 1 120 120 GLN HG2 H 1 2.505 0.016 . . . . . . . . . . 6310 1 1166 . 1 1 120 120 GLN HG3 H 1 2.379 0.012 . . . . . . . . . . 6310 1 1167 . 1 1 120 120 GLN H H 1 9.335 0.011 . . . . . . . . . . 6310 1 1168 . 1 1 120 120 GLN N N 15 123.571 0.038 . . . . . . . . . . 6310 1 1169 . 1 1 120 120 GLN NE2 N 15 111.990 0.187 . . . . . . . . . . 6310 1 1170 . 1 1 121 121 TRP CA C 13 59.934 0.099 . . . . . . . . . . 6310 1 1171 . 1 1 121 121 TRP CB C 13 26.949 0.032 . . . . . . . . . . 6310 1 1172 . 1 1 121 121 TRP C C 13 176.787 0.038 . . . . . . . . . . 6310 1 1173 . 1 1 121 121 TRP HA H 1 4.604 0.013 . . . . . . . . . . 6310 1 1174 . 1 1 121 121 TRP HB2 H 1 3.264 0.015 . . . . . . . . . . 6310 1 1175 . 1 1 121 121 TRP HD1 H 1 7.040 0.002 . . . . . . . . . . 6310 1 1176 . 1 1 121 121 TRP HE1 H 1 9.562 0.002 . . . . . . . . . . 6310 1 1177 . 1 1 121 121 TRP H H 1 7.228 0.012 . . . . . . . . . . 6310 1 1178 . 1 1 121 121 TRP N N 15 117.154 0.053 . . . . . . . . . . 6310 1 1179 . 1 1 121 121 TRP NE1 N 15 130.294 0.046 . . . . . . . . . . 6310 1 1180 . 1 1 122 122 LEU CA C 13 54.317 0.154 . . . . . . . . . . 6310 1 1181 . 1 1 122 122 LEU CB C 13 42.355 0.078 . . . . . . . . . . 6310 1 1182 . 1 1 122 122 LEU CD1 C 13 21.856 0.038 . . . . . . . . . . 6310 1 1183 . 1 1 122 122 LEU CD2 C 13 24.860 0.030 . . . . . . . . . . 6310 1 1184 . 1 1 122 122 LEU CG C 13 25.297 0.102 . . . . . . . . . . 6310 1 1185 . 1 1 122 122 LEU C C 13 176.606 0.049 . . . . . . . . . . 6310 1 1186 . 1 1 122 122 LEU HA H 1 4.241 0.012 . . . . . . . . . . 6310 1 1187 . 1 1 122 122 LEU HB2 H 1 1.201 0.018 . . . . . . . . . . 6310 1 1188 . 1 1 122 122 LEU HB3 H 1 0.819 0.013 . . . . . . . . . . 6310 1 1189 . 1 1 122 122 LEU HD11 H 1 0.775 0.013 . . . . . . . . . . 6310 1 1190 . 1 1 122 122 LEU HD12 H 1 0.775 0.013 . . . . . . . . . . 6310 1 1191 . 1 1 122 122 LEU HD13 H 1 0.775 0.013 . . . . . . . . . . 6310 1 1192 . 1 1 122 122 LEU HD21 H 1 0.092 0.013 . . . . . . . . . . 6310 1 1193 . 1 1 122 122 LEU HD22 H 1 0.092 0.013 . . . . . . . . . . 6310 1 1194 . 1 1 122 122 LEU HD23 H 1 0.092 0.013 . . . . . . . . . . 6310 1 1195 . 1 1 122 122 LEU HG H 1 0.357 0.013 . . . . . . . . . . 6310 1 1196 . 1 1 122 122 LEU H H 1 7.414 0.006 . . . . . . . . . . 6310 1 1197 . 1 1 122 122 LEU N N 15 120.698 0.041 . . . . . . . . . . 6310 1 1198 . 1 1 123 123 ASP CA C 13 57.113 0.143 . . . . . . . . . . 6310 1 1199 . 1 1 123 123 ASP CB C 13 40.294 0.058 . . . . . . . . . . 6310 1 1200 . 1 1 123 123 ASP C C 13 178.604 0.028 . . . . . . . . . . 6310 1 1201 . 1 1 123 123 ASP HA H 1 4.759 0.008 . . . . . . . . . . 6310 1 1202 . 1 1 123 123 ASP HB2 H 1 2.829 0.012 . . . . . . . . . . 6310 1 1203 . 1 1 123 123 ASP HB3 H 1 2.640 0.011 . . . . . . . . . . 6310 1 1204 . 1 1 123 123 ASP H H 1 7.694 0.010 . . . . . . . . . . 6310 1 1205 . 1 1 123 123 ASP N N 15 121.449 0.078 . . . . . . . . . . 6310 1 1206 . 1 1 124 124 GLY CA C 13 45.694 0.141 . . . . . . . . . . 6310 1 1207 . 1 1 124 124 GLY C C 13 174.677 0.020 . . . . . . . . . . 6310 1 1208 . 1 1 124 124 GLY HA2 H 1 4.207 0.019 . . . . . . . . . . 6310 1 1209 . 1 1 124 124 GLY HA3 H 1 3.801 0.014 . . . . . . . . . . 6310 1 1210 . 1 1 124 124 GLY H H 1 9.418 0.015 . . . . . . . . . . 6310 1 1211 . 1 1 124 124 GLY N N 15 111.674 0.044 . . . . . . . . . . 6310 1 1212 . 1 1 125 125 LYS CA C 13 56.240 0.071 . . . . . . . . . . 6310 1 1213 . 1 1 125 125 LYS CB C 13 34.630 0.028 . . . . . . . . . . 6310 1 1214 . 1 1 125 125 LYS CD C 13 29.164 0.100 . . . . . . . . . . 6310 1 1215 . 1 1 125 125 LYS CE C 13 42.482 0.100 . . . . . . . . . . 6310 1 1216 . 1 1 125 125 LYS CG C 13 25.382 0.100 . . . . . . . . . . 6310 1 1217 . 1 1 125 125 LYS C C 13 175.745 0.030 . . . . . . . . . . 6310 1 1218 . 1 1 125 125 LYS HA H 1 4.368 0.006 . . . . . . . . . . 6310 1 1219 . 1 1 125 125 LYS HB2 H 1 1.880 0.020 . . . . . . . . . . 6310 1 1220 . 1 1 125 125 LYS HB3 H 1 1.723 0.012 . . . . . . . . . . 6310 1 1221 . 1 1 125 125 LYS HD2 H 1 1.273 0.024 . . . . . . . . . . 6310 1 1222 . 1 1 125 125 LYS HE2 H 1 2.975 0.017 . . . . . . . . . . 6310 1 1223 . 1 1 125 125 LYS HG2 H 1 1.170 0.010 . . . . . . . . . . 6310 1 1224 . 1 1 125 125 LYS H H 1 8.343 0.006 . . . . . . . . . . 6310 1 1225 . 1 1 125 125 LYS N N 15 115.620 0.049 . . . . . . . . . . 6310 1 1226 . 1 1 126 126 HIS CA C 13 54.332 0.018 . . . . . . . . . . 6310 1 1227 . 1 1 126 126 HIS CB C 13 34.127 0.067 . . . . . . . . . . 6310 1 1228 . 1 1 126 126 HIS C C 13 173.954 0.046 . . . . . . . . . . 6310 1 1229 . 1 1 126 126 HIS HA H 1 4.598 0.008 . . . . . . . . . . 6310 1 1230 . 1 1 126 126 HIS HB2 H 1 3.563 0.022 . . . . . . . . . . 6310 1 1231 . 1 1 126 126 HIS HB3 H 1 2.913 0.027 . . . . . . . . . . 6310 1 1232 . 1 1 126 126 HIS HD2 H 1 6.061 0.007 . . . . . . . . . . 6310 1 1233 . 1 1 126 126 HIS H H 1 7.042 0.012 . . . . . . . . . . 6310 1 1234 . 1 1 126 126 HIS N N 15 114.499 0.060 . . . . . . . . . . 6310 1 1235 . 1 1 127 127 THR CA C 13 64.406 0.202 . . . . . . . . . . 6310 1 1236 . 1 1 127 127 THR CB C 13 70.313 0.074 . . . . . . . . . . 6310 1 1237 . 1 1 127 127 THR C C 13 174.436 0.021 . . . . . . . . . . 6310 1 1238 . 1 1 127 127 THR HA H 1 3.819 0.012 . . . . . . . . . . 6310 1 1239 . 1 1 127 127 THR HB H 1 3.882 0.016 . . . . . . . . . . 6310 1 1240 . 1 1 127 127 THR HG21 H 1 1.442 0.008 . . . . . . . . . . 6310 1 1241 . 1 1 127 127 THR HG22 H 1 1.442 0.008 . . . . . . . . . . 6310 1 1242 . 1 1 127 127 THR HG23 H 1 1.442 0.008 . . . . . . . . . . 6310 1 1243 . 1 1 127 127 THR H H 1 9.675 0.009 . . . . . . . . . . 6310 1 1244 . 1 1 127 127 THR N N 15 121.601 0.061 . . . . . . . . . . 6310 1 1245 . 1 1 128 128 ILE CA C 13 61.893 0.150 . . . . . . . . . . 6310 1 1246 . 1 1 128 128 ILE CB C 13 38.895 0.145 . . . . . . . . . . 6310 1 1247 . 1 1 128 128 ILE CD1 C 13 11.599 0.002 . . . . . . . . . . 6310 1 1248 . 1 1 128 128 ILE CG1 C 13 29.480 0.029 . . . . . . . . . . 6310 1 1249 . 1 1 128 128 ILE CG2 C 13 17.763 0.100 . . . . . . . . . . 6310 1 1250 . 1 1 128 128 ILE C C 13 175.622 0.023 . . . . . . . . . . 6310 1 1251 . 1 1 128 128 ILE HA H 1 4.106 0.016 . . . . . . . . . . 6310 1 1252 . 1 1 128 128 ILE HB H 1 1.312 0.012 . . . . . . . . . . 6310 1 1253 . 1 1 128 128 ILE HD11 H 1 -0.412 0.006 . . . . . . . . . . 6310 1 1254 . 1 1 128 128 ILE HD12 H 1 -0.412 0.006 . . . . . . . . . . 6310 1 1255 . 1 1 128 128 ILE HD13 H 1 -0.412 0.006 . . . . . . . . . . 6310 1 1256 . 1 1 128 128 ILE HG12 H 1 1.278 0.014 . . . . . . . . . . 6310 1 1257 . 1 1 128 128 ILE HG13 H 1 -0.155 0.018 . . . . . . . . . . 6310 1 1258 . 1 1 128 128 ILE HG21 H 1 0.777 0.008 . . . . . . . . . . 6310 1 1259 . 1 1 128 128 ILE HG22 H 1 0.777 0.008 . . . . . . . . . . 6310 1 1260 . 1 1 128 128 ILE HG23 H 1 0.777 0.008 . . . . . . . . . . 6310 1 1261 . 1 1 128 128 ILE H H 1 8.426 0.007 . . . . . . . . . . 6310 1 1262 . 1 1 128 128 ILE N N 15 131.845 0.083 . . . . . . . . . . 6310 1 1263 . 1 1 129 129 PHE CA C 13 55.066 0.114 . . . . . . . . . . 6310 1 1264 . 1 1 129 129 PHE CB C 13 39.695 0.097 . . . . . . . . . . 6310 1 1265 . 1 1 129 129 PHE C C 13 171.226 0.055 . . . . . . . . . . 6310 1 1266 . 1 1 129 129 PHE HA H 1 4.982 0.024 . . . . . . . . . . 6310 1 1267 . 1 1 129 129 PHE HB2 H 1 3.368 0.031 . . . . . . . . . . 6310 1 1268 . 1 1 129 129 PHE HB3 H 1 2.201 0.015 . . . . . . . . . . 6310 1 1269 . 1 1 129 129 PHE H H 1 8.523 0.006 . . . . . . . . . . 6310 1 1270 . 1 1 129 129 PHE N N 15 120.438 0.057 . . . . . . . . . . 6310 1 1271 . 1 1 130 130 GLY CA C 13 46.070 0.099 . . . . . . . . . . 6310 1 1272 . 1 1 130 130 GLY C C 13 170.859 0.044 . . . . . . . . . . 6310 1 1273 . 1 1 130 130 GLY HA2 H 1 3.454 0.021 . . . . . . . . . . 6310 1 1274 . 1 1 130 130 GLY HA3 H 1 1.989 0.025 . . . . . . . . . . 6310 1 1275 . 1 1 130 130 GLY H H 1 6.932 0.014 . . . . . . . . . . 6310 1 1276 . 1 1 130 130 GLY N N 15 109.837 0.049 . . . . . . . . . . 6310 1 1277 . 1 1 131 131 ARG CA C 13 54.016 0.103 . . . . . . . . . . 6310 1 1278 . 1 1 131 131 ARG CB C 13 32.980 0.048 . . . . . . . . . . 6310 1 1279 . 1 1 131 131 ARG CD C 13 43.289 0.100 . . . . . . . . . . 6310 1 1280 . 1 1 131 131 ARG CG C 13 27.750 0.100 . . . . . . . . . . 6310 1 1281 . 1 1 131 131 ARG C C 13 174.875 0.033 . . . . . . . . . . 6310 1 1282 . 1 1 131 131 ARG HA H 1 4.986 0.013 . . . . . . . . . . 6310 1 1283 . 1 1 131 131 ARG HB2 H 1 1.725 0.006 . . . . . . . . . . 6310 1 1284 . 1 1 131 131 ARG HB3 H 1 1.528 0.007 . . . . . . . . . . 6310 1 1285 . 1 1 131 131 ARG HD2 H 1 2.905 0.004 . . . . . . . . . . 6310 1 1286 . 1 1 131 131 ARG HG2 H 1 1.601 0.010 . . . . . . . . . . 6310 1 1287 . 1 1 131 131 ARG H H 1 8.035 0.010 . . . . . . . . . . 6310 1 1288 . 1 1 131 131 ARG N N 15 113.407 0.076 . . . . . . . . . . 6310 1 1289 . 1 1 132 132 VAL CA C 13 63.127 0.103 . . . . . . . . . . 6310 1 1290 . 1 1 132 132 VAL CB C 13 32.014 0.028 . . . . . . . . . . 6310 1 1291 . 1 1 132 132 VAL CG1 C 13 21.561 0.100 . . . . . . . . . . 6310 1 1292 . 1 1 132 132 VAL CG2 C 13 22.778 0.100 . . . . . . . . . . 6310 1 1293 . 1 1 132 132 VAL C C 13 175.657 0.028 . . . . . . . . . . 6310 1 1294 . 1 1 132 132 VAL HA H 1 4.015 0.013 . . . . . . . . . . 6310 1 1295 . 1 1 132 132 VAL HB H 1 1.848 0.012 . . . . . . . . . . 6310 1 1296 . 1 1 132 132 VAL HG11 H 1 0.639 0.009 . . . . . . . . . . 6310 1 1297 . 1 1 132 132 VAL HG12 H 1 0.639 0.009 . . . . . . . . . . 6310 1 1298 . 1 1 132 132 VAL HG13 H 1 0.639 0.009 . . . . . . . . . . 6310 1 1299 . 1 1 132 132 VAL HG21 H 1 0.669 0.008 . . . . . . . . . . 6310 1 1300 . 1 1 132 132 VAL HG22 H 1 0.669 0.008 . . . . . . . . . . 6310 1 1301 . 1 1 132 132 VAL HG23 H 1 0.669 0.008 . . . . . . . . . . 6310 1 1302 . 1 1 132 132 VAL H H 1 9.076 0.014 . . . . . . . . . . 6310 1 1303 . 1 1 132 132 VAL N N 15 122.133 0.059 . . . . . . . . . . 6310 1 1304 . 1 1 133 133 CYS CA C 13 56.635 0.056 . . . . . . . . . . 6310 1 1305 . 1 1 133 133 CYS CB C 13 29.782 0.010 . . . . . . . . . . 6310 1 1306 . 1 1 133 133 CYS C C 13 173.884 0.067 . . . . . . . . . . 6310 1 1307 . 1 1 133 133 CYS HA H 1 4.907 0.009 . . . . . . . . . . 6310 1 1308 . 1 1 133 133 CYS HB2 H 1 3.177 0.014 . . . . . . . . . . 6310 1 1309 . 1 1 133 133 CYS HB3 H 1 2.424 0.009 . . . . . . . . . . 6310 1 1310 . 1 1 133 133 CYS H H 1 9.266 0.010 . . . . . . . . . . 6310 1 1311 . 1 1 133 133 CYS N N 15 125.728 0.062 . . . . . . . . . . 6310 1 1312 . 1 1 134 134 GLN CA C 13 56.843 0.100 . . . . . . . . . . 6310 1 1313 . 1 1 134 134 GLN CB C 13 32.107 0.050 . . . . . . . . . . 6310 1 1314 . 1 1 134 134 GLN CG C 13 34.162 0.003 . . . . . . . . . . 6310 1 1315 . 1 1 134 134 GLN C C 13 174.644 0.100 . . . . . . . . . . 6310 1 1316 . 1 1 134 134 GLN HA H 1 4.540 0.006 . . . . . . . . . . 6310 1 1317 . 1 1 134 134 GLN HB2 H 1 1.848 0.002 . . . . . . . . . . 6310 1 1318 . 1 1 134 134 GLN HE21 H 1 7.541 0.006 . . . . . . . . . . 6310 1 1319 . 1 1 134 134 GLN HE22 H 1 6.841 0.005 . . . . . . . . . . 6310 1 1320 . 1 1 134 134 GLN HG2 H 1 2.307 0.016 . . . . . . . . . . 6310 1 1321 . 1 1 134 134 GLN H H 1 7.709 0.009 . . . . . . . . . . 6310 1 1322 . 1 1 134 134 GLN N N 15 123.460 0.048 . . . . . . . . . . 6310 1 1323 . 1 1 134 134 GLN NE2 N 15 111.232 0.191 . . . . . . . . . . 6310 1 1324 . 1 1 135 135 GLY CA C 13 45.934 0.147 . . . . . . . . . . 6310 1 1325 . 1 1 135 135 GLY C C 13 176.657 0.100 . . . . . . . . . . 6310 1 1326 . 1 1 135 135 GLY HA2 H 1 4.729 0.011 . . . . . . . . . . 6310 1 1327 . 1 1 136 136 ILE CA C 13 61.648 0.129 . . . . . . . . . . 6310 1 1328 . 1 1 136 136 ILE CB C 13 37.672 0.152 . . . . . . . . . . 6310 1 1329 . 1 1 136 136 ILE CD1 C 13 12.924 0.107 . . . . . . . . . . 6310 1 1330 . 1 1 136 136 ILE CG1 C 13 28.365 0.027 . . . . . . . . . . 6310 1 1331 . 1 1 136 136 ILE CG2 C 13 18.851 0.111 . . . . . . . . . . 6310 1 1332 . 1 1 136 136 ILE C C 13 176.308 0.025 . . . . . . . . . . 6310 1 1333 . 1 1 136 136 ILE HA H 1 3.879 0.012 . . . . . . . . . . 6310 1 1334 . 1 1 136 136 ILE HB H 1 1.739 0.010 . . . . . . . . . . 6310 1 1335 . 1 1 136 136 ILE HD11 H 1 0.652 0.012 . . . . . . . . . . 6310 1 1336 . 1 1 136 136 ILE HD12 H 1 0.652 0.012 . . . . . . . . . . 6310 1 1337 . 1 1 136 136 ILE HD13 H 1 0.652 0.012 . . . . . . . . . . 6310 1 1338 . 1 1 136 136 ILE HG12 H 1 1.275 0.011 . . . . . . . . . . 6310 1 1339 . 1 1 136 136 ILE HG21 H 1 0.834 0.010 . . . . . . . . . . 6310 1 1340 . 1 1 136 136 ILE HG22 H 1 0.834 0.010 . . . . . . . . . . 6310 1 1341 . 1 1 136 136 ILE HG23 H 1 0.834 0.010 . . . . . . . . . . 6310 1 1342 . 1 1 136 136 ILE H H 1 8.724 0.013 . . . . . . . . . . 6310 1 1343 . 1 1 136 136 ILE N N 15 123.553 0.112 . . . . . . . . . . 6310 1 1344 . 1 1 137 137 GLY CA C 13 46.757 0.120 . . . . . . . . . . 6310 1 1345 . 1 1 137 137 GLY C C 13 176.755 0.014 . . . . . . . . . . 6310 1 1346 . 1 1 137 137 GLY HA2 H 1 3.809 0.019 . . . . . . . . . . 6310 1 1347 . 1 1 137 137 GLY H H 1 8.900 0.014 . . . . . . . . . . 6310 1 1348 . 1 1 137 137 GLY N N 15 109.528 0.090 . . . . . . . . . . 6310 1 1349 . 1 1 138 138 MET CA C 13 58.096 0.083 . . . . . . . . . . 6310 1 1350 . 1 1 138 138 MET CB C 13 31.352 0.114 . . . . . . . . . . 6310 1 1351 . 1 1 138 138 MET CE C 13 18.692 0.050 . . . . . . . . . . 6310 1 1352 . 1 1 138 138 MET CG C 13 33.433 0.030 . . . . . . . . . . 6310 1 1353 . 1 1 138 138 MET C C 13 178.105 0.013 . . . . . . . . . . 6310 1 1354 . 1 1 138 138 MET HA H 1 4.159 0.013 . . . . . . . . . . 6310 1 1355 . 1 1 138 138 MET HB2 H 1 2.259 0.010 . . . . . . . . . . 6310 1 1356 . 1 1 138 138 MET HB3 H 1 1.755 0.014 . . . . . . . . . . 6310 1 1357 . 1 1 138 138 MET HE1 H 1 1.985 0.013 . . . . . . . . . . 6310 1 1358 . 1 1 138 138 MET HE2 H 1 1.985 0.013 . . . . . . . . . . 6310 1 1359 . 1 1 138 138 MET HE3 H 1 1.985 0.013 . . . . . . . . . . 6310 1 1360 . 1 1 138 138 MET HG2 H 1 2.451 0.009 . . . . . . . . . . 6310 1 1361 . 1 1 138 138 MET HG3 H 1 2.635 0.007 . . . . . . . . . . 6310 1 1362 . 1 1 138 138 MET H H 1 7.494 0.009 . . . . . . . . . . 6310 1 1363 . 1 1 138 138 MET N N 15 121.474 0.099 . . . . . . . . . . 6310 1 1364 . 1 1 139 139 VAL CA C 13 66.590 0.101 . . . . . . . . . . 6310 1 1365 . 1 1 139 139 VAL CB C 13 31.048 0.105 . . . . . . . . . . 6310 1 1366 . 1 1 139 139 VAL CG1 C 13 24.186 0.100 . . . . . . . . . . 6310 1 1367 . 1 1 139 139 VAL CG2 C 13 21.503 0.100 . . . . . . . . . . 6310 1 1368 . 1 1 139 139 VAL C C 13 177.042 0.024 . . . . . . . . . . 6310 1 1369 . 1 1 139 139 VAL HA H 1 3.065 0.013 . . . . . . . . . . 6310 1 1370 . 1 1 139 139 VAL HB H 1 2.305 0.010 . . . . . . . . . . 6310 1 1371 . 1 1 139 139 VAL HG11 H 1 0.877 0.009 . . . . . . . . . . 6310 1 1372 . 1 1 139 139 VAL HG12 H 1 0.877 0.009 . . . . . . . . . . 6310 1 1373 . 1 1 139 139 VAL HG13 H 1 0.877 0.009 . . . . . . . . . . 6310 1 1374 . 1 1 139 139 VAL HG21 H 1 0.624 0.011 . . . . . . . . . . 6310 1 1375 . 1 1 139 139 VAL HG22 H 1 0.624 0.011 . . . . . . . . . . 6310 1 1376 . 1 1 139 139 VAL HG23 H 1 0.624 0.011 . . . . . . . . . . 6310 1 1377 . 1 1 139 139 VAL H H 1 7.549 0.010 . . . . . . . . . . 6310 1 1378 . 1 1 139 139 VAL N N 15 120.242 0.044 . . . . . . . . . . 6310 1 1379 . 1 1 140 140 ASN CA C 13 56.151 0.075 . . . . . . . . . . 6310 1 1380 . 1 1 140 140 ASN CB C 13 38.206 0.091 . . . . . . . . . . 6310 1 1381 . 1 1 140 140 ASN C C 13 177.758 0.041 . . . . . . . . . . 6310 1 1382 . 1 1 140 140 ASN HA H 1 4.241 0.011 . . . . . . . . . . 6310 1 1383 . 1 1 140 140 ASN HB2 H 1 2.667 0.018 . . . . . . . . . . 6310 1 1384 . 1 1 140 140 ASN HD21 H 1 7.379 0.010 . . . . . . . . . . 6310 1 1385 . 1 1 140 140 ASN HD22 H 1 6.617 0.006 . . . . . . . . . . 6310 1 1386 . 1 1 140 140 ASN H H 1 8.102 0.010 . . . . . . . . . . 6310 1 1387 . 1 1 140 140 ASN N N 15 115.670 0.053 . . . . . . . . . . 6310 1 1388 . 1 1 140 140 ASN ND2 N 15 110.129 0.225 . . . . . . . . . . 6310 1 1389 . 1 1 141 141 ARG CA C 13 59.359 0.158 . . . . . . . . . . 6310 1 1390 . 1 1 141 141 ARG CB C 13 30.299 0.071 . . . . . . . . . . 6310 1 1391 . 1 1 141 141 ARG CD C 13 43.543 0.020 . . . . . . . . . . 6310 1 1392 . 1 1 141 141 ARG CG C 13 27.816 0.100 . . . . . . . . . . 6310 1 1393 . 1 1 141 141 ARG C C 13 179.986 0.017 . . . . . . . . . . 6310 1 1394 . 1 1 141 141 ARG HA H 1 3.959 0.011 . . . . . . . . . . 6310 1 1395 . 1 1 141 141 ARG HB2 H 1 1.902 0.015 . . . . . . . . . . 6310 1 1396 . 1 1 141 141 ARG HB3 H 1 1.830 0.022 . . . . . . . . . . 6310 1 1397 . 1 1 141 141 ARG HD2 H 1 3.136 0.006 . . . . . . . . . . 6310 1 1398 . 1 1 141 141 ARG HG2 H 1 1.799 0.009 . . . . . . . . . . 6310 1 1399 . 1 1 141 141 ARG HG3 H 1 1.578 0.012 . . . . . . . . . . 6310 1 1400 . 1 1 141 141 ARG H H 1 7.383 0.009 . . . . . . . . . . 6310 1 1401 . 1 1 141 141 ARG N N 15 118.680 0.034 . . . . . . . . . . 6310 1 1402 . 1 1 142 142 VAL CA C 13 66.235 0.156 . . . . . . . . . . 6310 1 1403 . 1 1 142 142 VAL CB C 13 31.145 0.110 . . . . . . . . . . 6310 1 1404 . 1 1 142 142 VAL CG1 C 13 22.676 0.068 . . . . . . . . . . 6310 1 1405 . 1 1 142 142 VAL CG2 C 13 23.193 0.035 . . . . . . . . . . 6310 1 1406 . 1 1 142 142 VAL C C 13 176.617 0.010 . . . . . . . . . . 6310 1 1407 . 1 1 142 142 VAL HA H 1 3.474 0.013 . . . . . . . . . . 6310 1 1408 . 1 1 142 142 VAL HB H 1 1.998 0.013 . . . . . . . . . . 6310 1 1409 . 1 1 142 142 VAL HG11 H 1 0.839 0.011 . . . . . . . . . . 6310 1 1410 . 1 1 142 142 VAL HG12 H 1 0.839 0.011 . . . . . . . . . . 6310 1 1411 . 1 1 142 142 VAL HG13 H 1 0.839 0.011 . . . . . . . . . . 6310 1 1412 . 1 1 142 142 VAL HG21 H 1 0.531 0.007 . . . . . . . . . . 6310 1 1413 . 1 1 142 142 VAL HG22 H 1 0.531 0.007 . . . . . . . . . . 6310 1 1414 . 1 1 142 142 VAL HG23 H 1 0.531 0.007 . . . . . . . . . . 6310 1 1415 . 1 1 142 142 VAL H H 1 8.242 0.010 . . . . . . . . . . 6310 1 1416 . 1 1 142 142 VAL N N 15 123.124 0.055 . . . . . . . . . . 6310 1 1417 . 1 1 143 143 GLY CA C 13 46.762 0.129 . . . . . . . . . . 6310 1 1418 . 1 1 143 143 GLY C C 13 173.452 0.033 . . . . . . . . . . 6310 1 1419 . 1 1 143 143 GLY HA2 H 1 3.516 0.009 . . . . . . . . . . 6310 1 1420 . 1 1 143 143 GLY H H 1 7.868 0.011 . . . . . . . . . . 6310 1 1421 . 1 1 143 143 GLY N N 15 101.199 0.067 . . . . . . . . . . 6310 1 1422 . 1 1 144 144 MET CA C 13 54.564 0.103 . . . . . . . . . . 6310 1 1423 . 1 1 144 144 MET CB C 13 33.797 0.231 . . . . . . . . . . 6310 1 1424 . 1 1 144 144 MET CG C 13 32.098 0.054 . . . . . . . . . . 6310 1 1425 . 1 1 144 144 MET C C 13 177.103 0.010 . . . . . . . . . . 6310 1 1426 . 1 1 144 144 MET HA H 1 4.480 0.013 . . . . . . . . . . 6310 1 1427 . 1 1 144 144 MET HB2 H 1 2.262 0.022 . . . . . . . . . . 6310 1 1428 . 1 1 144 144 MET HB3 H 1 1.930 0.008 . . . . . . . . . . 6310 1 1429 . 1 1 144 144 MET HE1 H 1 1.990 0.005 . . . . . . . . . . 6310 1 1430 . 1 1 144 144 MET HE2 H 1 1.990 0.005 . . . . . . . . . . 6310 1 1431 . 1 1 144 144 MET HE3 H 1 1.990 0.005 . . . . . . . . . . 6310 1 1432 . 1 1 144 144 MET HG2 H 1 2.659 0.008 . . . . . . . . . . 6310 1 1433 . 1 1 144 144 MET HG3 H 1 2.528 0.011 . . . . . . . . . . 6310 1 1434 . 1 1 144 144 MET H H 1 7.080 0.007 . . . . . . . . . . 6310 1 1435 . 1 1 144 144 MET N N 15 115.414 0.041 . . . . . . . . . . 6310 1 1436 . 1 1 145 145 VAL CA C 13 62.354 0.136 . . . . . . . . . . 6310 1 1437 . 1 1 145 145 VAL CB C 13 32.886 0.107 . . . . . . . . . . 6310 1 1438 . 1 1 145 145 VAL CG1 C 13 21.407 0.100 . . . . . . . . . . 6310 1 1439 . 1 1 145 145 VAL CG2 C 13 18.462 0.080 . . . . . . . . . . 6310 1 1440 . 1 1 145 145 VAL C C 13 175.214 0.032 . . . . . . . . . . 6310 1 1441 . 1 1 145 145 VAL HA H 1 4.028 0.019 . . . . . . . . . . 6310 1 1442 . 1 1 145 145 VAL HB H 1 2.341 0.011 . . . . . . . . . . 6310 1 1443 . 1 1 145 145 VAL HG11 H 1 1.090 0.012 . . . . . . . . . . 6310 1 1444 . 1 1 145 145 VAL HG12 H 1 1.090 0.012 . . . . . . . . . . 6310 1 1445 . 1 1 145 145 VAL HG13 H 1 1.090 0.012 . . . . . . . . . . 6310 1 1446 . 1 1 145 145 VAL HG21 H 1 0.936 0.010 . . . . . . . . . . 6310 1 1447 . 1 1 145 145 VAL HG22 H 1 0.936 0.010 . . . . . . . . . . 6310 1 1448 . 1 1 145 145 VAL HG23 H 1 0.936 0.010 . . . . . . . . . . 6310 1 1449 . 1 1 145 145 VAL H H 1 7.254 0.011 . . . . . . . . . . 6310 1 1450 . 1 1 145 145 VAL N N 15 116.155 0.046 . . . . . . . . . . 6310 1 1451 . 1 1 146 146 GLU CA C 13 57.212 0.148 . . . . . . . . . . 6310 1 1452 . 1 1 146 146 GLU CB C 13 29.863 0.048 . . . . . . . . . . 6310 1 1453 . 1 1 146 146 GLU CG C 13 36.181 0.178 . . . . . . . . . . 6310 1 1454 . 1 1 146 146 GLU C C 13 177.816 0.010 . . . . . . . . . . 6310 1 1455 . 1 1 146 146 GLU HA H 1 4.188 0.010 . . . . . . . . . . 6310 1 1456 . 1 1 146 146 GLU HB2 H 1 1.958 0.012 . . . . . . . . . . 6310 1 1457 . 1 1 146 146 GLU HB3 H 1 1.873 0.017 . . . . . . . . . . 6310 1 1458 . 1 1 146 146 GLU HG2 H 1 2.352 0.012 . . . . . . . . . . 6310 1 1459 . 1 1 146 146 GLU HG3 H 1 2.136 0.010 . . . . . . . . . . 6310 1 1460 . 1 1 146 146 GLU H H 1 8.395 0.008 . . . . . . . . . . 6310 1 1461 . 1 1 146 146 GLU N N 15 121.164 0.053 . . . . . . . . . . 6310 1 1462 . 1 1 147 147 THR CA C 13 59.128 0.126 . . . . . . . . . . 6310 1 1463 . 1 1 147 147 THR CB C 13 72.491 0.118 . . . . . . . . . . 6310 1 1464 . 1 1 147 147 THR CG2 C 13 21.243 0.100 . . . . . . . . . . 6310 1 1465 . 1 1 147 147 THR C C 13 174.698 0.007 . . . . . . . . . . 6310 1 1466 . 1 1 147 147 THR HA H 1 4.993 0.006 . . . . . . . . . . 6310 1 1467 . 1 1 147 147 THR HB H 1 3.888 0.013 . . . . . . . . . . 6310 1 1468 . 1 1 147 147 THR HG21 H 1 0.951 0.009 . . . . . . . . . . 6310 1 1469 . 1 1 147 147 THR HG22 H 1 0.951 0.009 . . . . . . . . . . 6310 1 1470 . 1 1 147 147 THR HG23 H 1 0.951 0.009 . . . . . . . . . . 6310 1 1471 . 1 1 147 147 THR H H 1 8.561 0.011 . . . . . . . . . . 6310 1 1472 . 1 1 147 147 THR N N 15 116.335 0.074 . . . . . . . . . . 6310 1 1473 . 1 1 148 148 ASN CA C 13 50.344 0.100 . . . . . . . . . . 6310 1 1474 . 1 1 148 148 ASN CB C 13 39.124 0.100 . . . . . . . . . . 6310 1 1475 . 1 1 148 148 ASN HA H 1 4.813 0.010 . . . . . . . . . . 6310 1 1476 . 1 1 148 148 ASN HB2 H 1 2.778 0.010 . . . . . . . . . . 6310 1 1477 . 1 1 148 148 ASN H H 1 8.460 0.008 . . . . . . . . . . 6310 1 1478 . 1 1 148 148 ASN N N 15 118.651 0.033 . . . . . . . . . . 6310 1 1479 . 1 1 149 149 SER CA C 13 61.047 0.106 . . . . . . . . . . 6310 1 1480 . 1 1 149 149 SER CB C 13 62.959 0.164 . . . . . . . . . . 6310 1 1481 . 1 1 149 149 SER C C 13 175.132 0.100 . . . . . . . . . . 6310 1 1482 . 1 1 149 149 SER HA H 1 4.232 0.012 . . . . . . . . . . 6310 1 1483 . 1 1 149 149 SER HB2 H 1 3.933 0.010 . . . . . . . . . . 6310 1 1484 . 1 1 150 150 GLN CA C 13 55.319 0.072 . . . . . . . . . . 6310 1 1485 . 1 1 150 150 GLN CB C 13 28.757 0.057 . . . . . . . . . . 6310 1 1486 . 1 1 150 150 GLN CG C 13 34.400 0.183 . . . . . . . . . . 6310 1 1487 . 1 1 150 150 GLN C C 13 175.169 0.021 . . . . . . . . . . 6310 1 1488 . 1 1 150 150 GLN HA H 1 4.444 0.009 . . . . . . . . . . 6310 1 1489 . 1 1 150 150 GLN HB2 H 1 2.379 0.010 . . . . . . . . . . 6310 1 1490 . 1 1 150 150 GLN HB3 H 1 1.892 0.018 . . . . . . . . . . 6310 1 1491 . 1 1 150 150 GLN HE21 H 1 7.539 0.003 . . . . . . . . . . 6310 1 1492 . 1 1 150 150 GLN HE22 H 1 6.819 0.006 . . . . . . . . . . 6310 1 1493 . 1 1 150 150 GLN HG2 H 1 2.252 0.021 . . . . . . . . . . 6310 1 1494 . 1 1 150 150 GLN H H 1 7.754 0.008 . . . . . . . . . . 6310 1 1495 . 1 1 150 150 GLN N N 15 119.997 0.068 . . . . . . . . . . 6310 1 1496 . 1 1 150 150 GLN NE2 N 15 112.547 0.157 . . . . . . . . . . 6310 1 1497 . 1 1 151 151 ASP CA C 13 56.554 0.259 . . . . . . . . . . 6310 1 1498 . 1 1 151 151 ASP CB C 13 39.480 0.077 . . . . . . . . . . 6310 1 1499 . 1 1 151 151 ASP C C 13 172.579 0.037 . . . . . . . . . . 6310 1 1500 . 1 1 151 151 ASP HA H 1 4.283 0.012 . . . . . . . . . . 6310 1 1501 . 1 1 151 151 ASP HB2 H 1 2.969 0.014 . . . . . . . . . . 6310 1 1502 . 1 1 151 151 ASP H H 1 8.361 0.012 . . . . . . . . . . 6310 1 1503 . 1 1 151 151 ASP N N 15 113.614 0.066 . . . . . . . . . . 6310 1 1504 . 1 1 152 152 ARG CA C 13 52.503 0.100 . . . . . . . . . . 6310 1 1505 . 1 1 152 152 ARG CB C 13 31.818 0.100 . . . . . . . . . . 6310 1 1506 . 1 1 152 152 ARG C C 13 175.125 0.100 . . . . . . . . . . 6310 1 1507 . 1 1 152 152 ARG H H 1 7.673 0.012 . . . . . . . . . . 6310 1 1508 . 1 1 152 152 ARG N N 15 118.655 0.040 . . . . . . . . . . 6310 1 1509 . 1 1 152 152 ARG CD C 13 43.582 0.030 . . . . . . . . . . 6310 1 1510 . 1 1 152 152 ARG HA H 1 4.886 0.013 . . . . . . . . . . 6310 1 1511 . 1 1 152 152 ARG HB2 H 1 1.638 0.013 . . . . . . . . . . 6310 1 1512 . 1 1 152 152 ARG HB3 H 1 1.730 0.014 . . . . . . . . . . 6310 1 1513 . 1 1 152 152 ARG HD2 H 1 3.249 0.013 . . . . . . . . . . 6310 1 1514 . 1 1 153 153 PRO CA C 13 63.261 0.159 . . . . . . . . . . 6310 1 1515 . 1 1 153 153 PRO CB C 13 32.258 0.092 . . . . . . . . . . 6310 1 1516 . 1 1 153 153 PRO C C 13 177.305 0.016 . . . . . . . . . . 6310 1 1517 . 1 1 153 153 PRO HA H 1 4.546 0.011 . . . . . . . . . . 6310 1 1518 . 1 1 153 153 PRO HB2 H 1 2.227 0.006 . . . . . . . . . . 6310 1 1519 . 1 1 154 154 VAL CA C 13 65.799 0.068 . . . . . . . . . . 6310 1 1520 . 1 1 154 154 VAL CB C 13 31.714 0.091 . . . . . . . . . . 6310 1 1521 . 1 1 154 154 VAL CG1 C 13 21.203 0.100 . . . . . . . . . . 6310 1 1522 . 1 1 154 154 VAL CG2 C 13 21.022 0.100 . . . . . . . . . . 6310 1 1523 . 1 1 154 154 VAL C C 13 176.022 0.018 . . . . . . . . . . 6310 1 1524 . 1 1 154 154 VAL HA H 1 3.573 0.007 . . . . . . . . . . 6310 1 1525 . 1 1 154 154 VAL HB H 1 1.857 0.008 . . . . . . . . . . 6310 1 1526 . 1 1 154 154 VAL HG11 H 1 0.799 0.015 . . . . . . . . . . 6310 1 1527 . 1 1 154 154 VAL HG12 H 1 0.799 0.015 . . . . . . . . . . 6310 1 1528 . 1 1 154 154 VAL HG13 H 1 0.799 0.015 . . . . . . . . . . 6310 1 1529 . 1 1 154 154 VAL HG21 H 1 0.756 0.010 . . . . . . . . . . 6310 1 1530 . 1 1 154 154 VAL HG22 H 1 0.756 0.010 . . . . . . . . . . 6310 1 1531 . 1 1 154 154 VAL HG23 H 1 0.756 0.010 . . . . . . . . . . 6310 1 1532 . 1 1 154 154 VAL H H 1 8.200 0.010 . . . . . . . . . . 6310 1 1533 . 1 1 154 154 VAL N N 15 125.501 0.056 . . . . . . . . . . 6310 1 1534 . 1 1 155 155 ASP CA C 13 52.410 0.070 . . . . . . . . . . 6310 1 1535 . 1 1 155 155 ASP CB C 13 42.405 0.051 . . . . . . . . . . 6310 1 1536 . 1 1 155 155 ASP C C 13 174.884 0.027 . . . . . . . . . . 6310 1 1537 . 1 1 155 155 ASP HA H 1 4.821 0.007 . . . . . . . . . . 6310 1 1538 . 1 1 155 155 ASP HB2 H 1 2.517 0.009 . . . . . . . . . . 6310 1 1539 . 1 1 155 155 ASP HB3 H 1 2.387 0.011 . . . . . . . . . . 6310 1 1540 . 1 1 155 155 ASP H H 1 8.150 0.010 . . . . . . . . . . 6310 1 1541 . 1 1 155 155 ASP N N 15 120.032 0.034 . . . . . . . . . . 6310 1 1542 . 1 1 156 156 ASP CA C 13 55.007 0.131 . . . . . . . . . . 6310 1 1543 . 1 1 156 156 ASP CB C 13 41.415 0.161 . . . . . . . . . . 6310 1 1544 . 1 1 156 156 ASP C C 13 176.442 0.013 . . . . . . . . . . 6310 1 1545 . 1 1 156 156 ASP HA H 1 4.283 0.009 . . . . . . . . . . 6310 1 1546 . 1 1 156 156 ASP HB2 H 1 2.494 0.010 . . . . . . . . . . 6310 1 1547 . 1 1 156 156 ASP HB3 H 1 2.128 0.008 . . . . . . . . . . 6310 1 1548 . 1 1 156 156 ASP H H 1 8.373 0.007 . . . . . . . . . . 6310 1 1549 . 1 1 156 156 ASP N N 15 120.226 0.035 . . . . . . . . . . 6310 1 1550 . 1 1 157 157 VAL CA C 13 62.285 0.092 . . . . . . . . . . 6310 1 1551 . 1 1 157 157 VAL CB C 13 32.662 0.072 . . . . . . . . . . 6310 1 1552 . 1 1 157 157 VAL CG1 C 13 21.848 0.100 . . . . . . . . . . 6310 1 1553 . 1 1 157 157 VAL CG2 C 13 21.050 0.100 . . . . . . . . . . 6310 1 1554 . 1 1 157 157 VAL C C 13 174.814 0.024 . . . . . . . . . . 6310 1 1555 . 1 1 157 157 VAL HA H 1 3.997 0.009 . . . . . . . . . . 6310 1 1556 . 1 1 157 157 VAL HB H 1 2.153 0.012 . . . . . . . . . . 6310 1 1557 . 1 1 157 157 VAL HG11 H 1 1.076 0.009 . . . . . . . . . . 6310 1 1558 . 1 1 157 157 VAL HG12 H 1 1.076 0.009 . . . . . . . . . . 6310 1 1559 . 1 1 157 157 VAL HG13 H 1 1.076 0.009 . . . . . . . . . . 6310 1 1560 . 1 1 157 157 VAL HG21 H 1 0.986 0.015 . . . . . . . . . . 6310 1 1561 . 1 1 157 157 VAL HG22 H 1 0.986 0.015 . . . . . . . . . . 6310 1 1562 . 1 1 157 157 VAL HG23 H 1 0.986 0.015 . . . . . . . . . . 6310 1 1563 . 1 1 157 157 VAL H H 1 9.403 0.008 . . . . . . . . . . 6310 1 1564 . 1 1 157 157 VAL N N 15 124.889 0.050 . . . . . . . . . . 6310 1 1565 . 1 1 158 158 LYS CA C 13 54.917 0.114 . . . . . . . . . . 6310 1 1566 . 1 1 158 158 LYS CB C 13 36.096 0.115 . . . . . . . . . . 6310 1 1567 . 1 1 158 158 LYS CD C 13 29.375 0.100 . . . . . . . . . . 6310 1 1568 . 1 1 158 158 LYS CE C 13 41.765 0.100 . . . . . . . . . . 6310 1 1569 . 1 1 158 158 LYS CG C 13 25.332 0.100 . . . . . . . . . . 6310 1 1570 . 1 1 158 158 LYS C C 13 176.714 0.006 . . . . . . . . . . 6310 1 1571 . 1 1 158 158 LYS HA H 1 4.874 0.007 . . . . . . . . . . 6310 1 1572 . 1 1 158 158 LYS HB2 H 1 1.492 0.013 . . . . . . . . . . 6310 1 1573 . 1 1 158 158 LYS HB3 H 1 1.408 0.025 . . . . . . . . . . 6310 1 1574 . 1 1 158 158 LYS HD2 H 1 1.494 0.001 . . . . . . . . . . 6310 1 1575 . 1 1 158 158 LYS HE2 H 1 2.771 0.004 . . . . . . . . . . 6310 1 1576 . 1 1 158 158 LYS HG2 H 1 1.086 0.019 . . . . . . . . . . 6310 1 1577 . 1 1 158 158 LYS HG3 H 1 1.160 0.013 . . . . . . . . . . 6310 1 1578 . 1 1 158 158 LYS H H 1 8.185 0.013 . . . . . . . . . . 6310 1 1579 . 1 1 158 158 LYS N N 15 123.727 0.067 . . . . . . . . . . 6310 1 1580 . 1 1 159 159 ILE CA C 13 62.954 0.054 . . . . . . . . . . 6310 1 1581 . 1 1 159 159 ILE CB C 13 37.455 0.045 . . . . . . . . . . 6310 1 1582 . 1 1 159 159 ILE CD1 C 13 13.637 0.031 . . . . . . . . . . 6310 1 1583 . 1 1 159 159 ILE CG1 C 13 28.695 0.100 . . . . . . . . . . 6310 1 1584 . 1 1 159 159 ILE CG2 C 13 18.333 0.100 . . . . . . . . . . 6310 1 1585 . 1 1 159 159 ILE C C 13 174.728 0.041 . . . . . . . . . . 6310 1 1586 . 1 1 159 159 ILE HA H 1 3.690 0.010 . . . . . . . . . . 6310 1 1587 . 1 1 159 159 ILE HB H 1 1.865 0.012 . . . . . . . . . . 6310 1 1588 . 1 1 159 159 ILE HD11 H 1 0.492 0.014 . . . . . . . . . . 6310 1 1589 . 1 1 159 159 ILE HD12 H 1 0.492 0.014 . . . . . . . . . . 6310 1 1590 . 1 1 159 159 ILE HD13 H 1 0.492 0.014 . . . . . . . . . . 6310 1 1591 . 1 1 159 159 ILE HG12 H 1 1.201 0.028 . . . . . . . . . . 6310 1 1592 . 1 1 159 159 ILE HG21 H 1 0.506 0.007 . . . . . . . . . . 6310 1 1593 . 1 1 159 159 ILE HG22 H 1 0.506 0.007 . . . . . . . . . . 6310 1 1594 . 1 1 159 159 ILE HG23 H 1 0.506 0.007 . . . . . . . . . . 6310 1 1595 . 1 1 159 159 ILE H H 1 8.917 0.014 . . . . . . . . . . 6310 1 1596 . 1 1 159 159 ILE N N 15 121.749 0.074 . . . . . . . . . . 6310 1 1597 . 1 1 160 160 ILE CA C 13 63.690 0.223 . . . . . . . . . . 6310 1 1598 . 1 1 160 160 ILE CB C 13 37.810 0.173 . . . . . . . . . . 6310 1 1599 . 1 1 160 160 ILE CD1 C 13 12.395 0.100 . . . . . . . . . . 6310 1 1600 . 1 1 160 160 ILE CG1 C 13 28.529 0.166 . . . . . . . . . . 6310 1 1601 . 1 1 160 160 ILE CG2 C 13 17.440 0.100 . . . . . . . . . . 6310 1 1602 . 1 1 160 160 ILE C C 13 177.449 0.007 . . . . . . . . . . 6310 1 1603 . 1 1 160 160 ILE HA H 1 3.731 0.007 . . . . . . . . . . 6310 1 1604 . 1 1 160 160 ILE HB H 1 1.732 0.013 . . . . . . . . . . 6310 1 1605 . 1 1 160 160 ILE HD11 H 1 0.684 0.035 . . . . . . . . . . 6310 1 1606 . 1 1 160 160 ILE HD12 H 1 0.684 0.035 . . . . . . . . . . 6310 1 1607 . 1 1 160 160 ILE HD13 H 1 0.684 0.035 . . . . . . . . . . 6310 1 1608 . 1 1 160 160 ILE HG12 H 1 1.410 0.004 . . . . . . . . . . 6310 1 1609 . 1 1 160 160 ILE HG13 H 1 1.050 0.010 . . . . . . . . . . 6310 1 1610 . 1 1 160 160 ILE HG21 H 1 0.850 0.010 . . . . . . . . . . 6310 1 1611 . 1 1 160 160 ILE HG22 H 1 0.850 0.010 . . . . . . . . . . 6310 1 1612 . 1 1 160 160 ILE HG23 H 1 0.850 0.010 . . . . . . . . . . 6310 1 1613 . 1 1 160 160 ILE H H 1 9.236 0.015 . . . . . . . . . . 6310 1 1614 . 1 1 160 160 ILE N N 15 130.334 0.080 . . . . . . . . . . 6310 1 1615 . 1 1 161 161 LYS CA C 13 54.870 0.146 . . . . . . . . . . 6310 1 1616 . 1 1 161 161 LYS CB C 13 37.342 0.088 . . . . . . . . . . 6310 1 1617 . 1 1 161 161 LYS CD C 13 29.509 0.100 . . . . . . . . . . 6310 1 1618 . 1 1 161 161 LYS CE C 13 41.785 0.100 . . . . . . . . . . 6310 1 1619 . 1 1 161 161 LYS CG C 13 25.254 0.100 . . . . . . . . . . 6310 1 1620 . 1 1 161 161 LYS C C 13 172.837 0.024 . . . . . . . . . . 6310 1 1621 . 1 1 161 161 LYS HA H 1 4.492 0.010 . . . . . . . . . . 6310 1 1622 . 1 1 161 161 LYS HB2 H 1 1.849 0.013 . . . . . . . . . . 6310 1 1623 . 1 1 161 161 LYS HB3 H 1 1.675 0.022 . . . . . . . . . . 6310 1 1624 . 1 1 161 161 LYS HD2 H 1 1.600 0.001 . . . . . . . . . . 6310 1 1625 . 1 1 161 161 LYS HE2 H 1 2.784 0.003 . . . . . . . . . . 6310 1 1626 . 1 1 161 161 LYS HG2 H 1 1.382 0.008 . . . . . . . . . . 6310 1 1627 . 1 1 161 161 LYS H H 1 7.674 0.016 . . . . . . . . . . 6310 1 1628 . 1 1 161 161 LYS N N 15 115.391 0.046 . . . . . . . . . . 6310 1 1629 . 1 1 162 162 ALA CA C 13 50.068 0.052 . . . . . . . . . . 6310 1 1630 . 1 1 162 162 ALA CB C 13 22.836 0.079 . . . . . . . . . . 6310 1 1631 . 1 1 162 162 ALA C C 13 176.088 0.014 . . . . . . . . . . 6310 1 1632 . 1 1 162 162 ALA HA H 1 5.676 0.010 . . . . . . . . . . 6310 1 1633 . 1 1 162 162 ALA HB1 H 1 1.285 0.009 . . . . . . . . . . 6310 1 1634 . 1 1 162 162 ALA HB2 H 1 1.285 0.009 . . . . . . . . . . 6310 1 1635 . 1 1 162 162 ALA HB3 H 1 1.285 0.009 . . . . . . . . . . 6310 1 1636 . 1 1 162 162 ALA H H 1 8.231 0.009 . . . . . . . . . . 6310 1 1637 . 1 1 162 162 ALA N N 15 125.020 0.102 . . . . . . . . . . 6310 1 1638 . 1 1 163 163 TYR CA C 13 54.407 0.100 . . . . . . . . . . 6310 1 1639 . 1 1 163 163 TYR CB C 13 36.782 0.048 . . . . . . . . . . 6310 1 1640 . 1 1 163 163 TYR C C 13 171.667 0.100 . . . . . . . . . . 6310 1 1641 . 1 1 163 163 TYR HA H 1 4.809 0.010 . . . . . . . . . . 6310 1 1642 . 1 1 163 163 TYR HB2 H 1 3.299 0.014 . . . . . . . . . . 6310 1 1643 . 1 1 163 163 TYR HD1 H 1 6.926 0.017 . . . . . . . . . . 6310 1 1644 . 1 1 163 163 TYR HE1 H 1 6.548 0.010 . . . . . . . . . . 6310 1 1645 . 1 1 163 163 TYR H H 1 7.994 0.012 . . . . . . . . . . 6310 1 1646 . 1 1 163 163 TYR N N 15 113.156 0.037 . . . . . . . . . . 6310 1 1647 . 1 1 164 164 PRO CA C 13 61.561 0.048 . . . . . . . . . . 6310 1 1648 . 1 1 164 164 PRO CB C 13 32.617 0.019 . . . . . . . . . . 6310 1 1649 . 1 1 164 164 PRO CD C 13 50.469 0.119 . . . . . . . . . . 6310 1 1650 . 1 1 164 164 PRO C C 13 175.849 0.018 . . . . . . . . . . 6310 1 1651 . 1 1 164 164 PRO HA H 1 5.573 0.013 . . . . . . . . . . 6310 1 1652 . 1 1 164 164 PRO HB2 H 1 2.133 0.003 . . . . . . . . . . 6310 1 1653 . 1 1 164 164 PRO HD2 H 1 3.550 0.029 . . . . . . . . . . 6310 1 1654 . 1 1 164 164 PRO HD3 H 1 3.667 0.010 . . . . . . . . . . 6310 1 1655 . 1 1 165 165 SER CA C 13 59.189 0.091 . . . . . . . . . . 6310 1 1656 . 1 1 165 165 SER CB C 13 65.365 0.057 . . . . . . . . . . 6310 1 1657 . 1 1 165 165 SER C C 13 173.463 0.022 . . . . . . . . . . 6310 1 1658 . 1 1 165 165 SER HA H 1 4.604 0.011 . . . . . . . . . . 6310 1 1659 . 1 1 165 165 SER HB2 H 1 3.850 0.015 . . . . . . . . . . 6310 1 1660 . 1 1 165 165 SER H H 1 8.567 0.010 . . . . . . . . . . 6310 1 1661 . 1 1 165 165 SER N N 15 113.618 0.069 . . . . . . . . . . 6310 1 1662 . 1 1 166 166 GLY CA C 13 45.416 0.041 . . . . . . . . . . 6310 1 1663 . 1 1 166 166 GLY C C 13 174.620 0.013 . . . . . . . . . . 6310 1 1664 . 1 1 166 166 GLY HA2 H 1 4.192 0.008 . . . . . . . . . . 6310 1 1665 . 1 1 166 166 GLY HA3 H 1 3.971 0.004 . . . . . . . . . . 6310 1 1666 . 1 1 166 166 GLY H H 1 8.554 0.006 . . . . . . . . . . 6310 1 1667 . 1 1 166 166 GLY N N 15 109.236 0.077 . . . . . . . . . . 6310 1 1668 . 1 1 167 167 LEU CA C 13 54.877 0.114 . . . . . . . . . . 6310 1 1669 . 1 1 167 167 LEU CB C 13 42.528 0.068 . . . . . . . . . . 6310 1 1670 . 1 1 167 167 LEU CD1 C 13 25.268 0.100 . . . . . . . . . . 6310 1 1671 . 1 1 167 167 LEU CD2 C 13 23.547 0.100 . . . . . . . . . . 6310 1 1672 . 1 1 167 167 LEU CG C 13 27.266 0.100 . . . . . . . . . . 6310 1 1673 . 1 1 167 167 LEU C C 13 176.148 0.006 . . . . . . . . . . 6310 1 1674 . 1 1 167 167 LEU HA H 1 4.419 0.010 . . . . . . . . . . 6310 1 1675 . 1 1 167 167 LEU HB2 H 1 1.643 0.011 . . . . . . . . . . 6310 1 1676 . 1 1 167 167 LEU HD11 H 1 0.817 0.007 . . . . . . . . . . 6310 1 1677 . 1 1 167 167 LEU HD12 H 1 0.817 0.007 . . . . . . . . . . 6310 1 1678 . 1 1 167 167 LEU HD13 H 1 0.817 0.007 . . . . . . . . . . 6310 1 1679 . 1 1 167 167 LEU HD21 H 1 0.764 0.001 . . . . . . . . . . 6310 1 1680 . 1 1 167 167 LEU HD22 H 1 0.764 0.001 . . . . . . . . . . 6310 1 1681 . 1 1 167 167 LEU HD23 H 1 0.764 0.001 . . . . . . . . . . 6310 1 1682 . 1 1 167 167 LEU HG H 1 1.522 0.010 . . . . . . . . . . 6310 1 1683 . 1 1 167 167 LEU H H 1 8.296 0.008 . . . . . . . . . . 6310 1 1684 . 1 1 167 167 LEU N N 15 121.514 0.076 . . . . . . . . . . 6310 1 stop_ save_