data_16992 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16992 _Entry.Title ; 1H,13C,15N backbone and sidechain assignment of human Raf kinase inhibitor protein from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-09 _Entry.Accession_date 2010-06-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yi Cuiying . . . 16992 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16992 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 722 16992 '15N chemical shifts' 172 16992 '1H chemical shifts' 1172 16992 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-06-10 update BMRB 'update entry citation' 16992 1 . . 2010-10-14 2010-06-10 original author 'original release' 16992 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16992 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20924725 _Citation.Full_citation . _Citation.Title '(1)H, ( 13)C, ( 15)N backbone and side-chain resonance assignments of the human Raf-1 kinase inhibitor protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 63 _Citation.Page_last 66 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cuiying Yi . . . 16992 1 2 Yu Peng . . . 16992 1 3 Chenyun Guo . . . 16992 1 4 Donghai Lin . . . 16992 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16992 _Assembly.ID 1 _Assembly.Name RKIP _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RKIP 1 $RKIP A . yes native no no . . . 16992 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RKIP _Entity.Sf_category entity _Entity.Sf_framecode RKIP _Entity.Entry_ID 16992 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RKIP _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 ; MSYYHHHHHHEGVRTMPVDL SKWSGPLSLQEVDEQPQHPL HVTYAGAAVDELGKVLTPTQ VKNRPTSISWDGLDSGKLYT LVLTDPDAPSRKDPKYREWH HFLVVNMKGNDISSGTVLSD YVGSGPPKGTGLHRYVWLVY EQDRPLKCDEPILSNRSGDH RGKFKVASFRKKYELRAPVA GTCYQAEWDDYVPKLYEQLS GK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17382 . Raf-1_kinase_inhibitor_protein . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 2 no BMRB 18204 . hPEBP1 . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 3 no PDB 1BD9 . "Human Phosphatidylethanolamine Binding Protein" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 4 no PDB 1BEH . "Human Phosphatidylethanolamine Binding Protein In Complex With Cacodylate" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 5 no PDB 2L7W . "Solution Structure Of The Human Raf-1 Kinase Inhibitor Protein" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 6 no PDB 2QYQ . "Human Raf Kinase Inhibitor Protein (Rkip) In Complex With O- Phosphotyrosine" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 7 no DBJ BAA03684 . "rat phosphatidylethanolamine binding protein homologue [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 8 no DBJ BAE88027 . "unnamed protein product [Macaca fascicularis]" . . . . . 92.57 187 97.33 97.86 1.47e-129 . . . . 16992 1 9 no DBJ BAE88359 . "unnamed protein product [Macaca fascicularis]" . . . . . 69.80 165 98.58 99.29 5.74e-95 . . . . 16992 1 10 no DBJ BAG34868 . "unnamed protein product [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 11 no DBJ BAG61396 . "unnamed protein product [Homo sapiens]" . . . . . 66.34 155 100.00 100.00 4.60e-91 . . . . 16992 1 12 no EMBL CAA51652 . "phosphatidylethanolamine-binding protein [Macaca fascicularis]" . . . . . 92.57 187 97.86 98.40 3.18e-130 . . . . 16992 1 13 no EMBL CAA53031 . "phosphatidylethanolamine binding protein [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 14 no EMBL CAA59404 . "phosphatidylethanolamine binding protein [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 15 no EMBL CAH93256 . "hypothetical protein [Pongo abelii]" . . . . . 92.57 187 98.93 100.00 3.48e-132 . . . . 16992 1 16 no GB AAB32876 . "neuropolypeptide h3 [human, brain, Peptide, 186 aa]" . . . . . 92.08 186 100.00 100.00 2.08e-132 . . . . 16992 1 17 no GB AAD14234 . "neuropolypeptide h3, partial [Homo sapiens]" . . . . . 69.31 140 100.00 100.00 2.69e-97 . . . . 16992 1 18 no GB AAH08714 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 19 no GB AAH17396 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 20 no GB AAH31102 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 21 no PRF 2117380B . "hippocampal cholinergic neurostimulating peptide" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 22 no REF NP_001126915 . "phosphatidylethanolamine-binding protein 1 [Pongo abelii]" . . . . . 92.57 187 98.93 100.00 3.48e-132 . . . . 16992 1 23 no REF NP_001233128 . "phosphatidylethanolamine-binding protein 1 [Macaca mulatta]" . . . . . 92.57 187 97.86 98.40 3.18e-130 . . . . 16992 1 24 no REF NP_002558 . "phosphatidylethanolamine-binding protein 1 [Homo sapiens]" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 25 no REF XP_002753109 . "PREDICTED: phosphatidylethanolamine-binding protein 1 [Callithrix jacchus]" . . . . . 92.57 187 98.93 99.47 3.72e-132 . . . . 16992 1 26 no REF XP_004054017 . "PREDICTED: phosphatidylethanolamine-binding protein 1 [Gorilla gorilla gorilla]" . . . . . 92.57 187 99.47 99.47 8.59e-133 . . . . 16992 1 27 no SP P30086 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; AltName: Full=Neuropolypeptide h3" . . . . . 92.57 187 100.00 100.00 1.78e-133 . . . . 16992 1 28 no SP P48737 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" . . . . . 92.57 187 97.86 98.40 3.18e-130 . . . . 16992 1 29 no SP Q5R4R0 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" . . . . . 92.57 187 98.93 100.00 3.48e-132 . . . . 16992 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 -14 MET . 16992 1 2 -13 SER . 16992 1 3 -12 TYR . 16992 1 4 -11 TYR . 16992 1 5 -10 HIS . 16992 1 6 -9 HIS . 16992 1 7 -8 HIS . 16992 1 8 -7 HIS . 16992 1 9 -6 HIS . 16992 1 10 -5 HIS . 16992 1 11 -4 GLU . 16992 1 12 -3 GLY . 16992 1 13 -2 VAL . 16992 1 14 -1 ARG . 16992 1 15 0 THR . 16992 1 16 1 MET . 16992 1 17 2 PRO . 16992 1 18 3 VAL . 16992 1 19 4 ASP . 16992 1 20 5 LEU . 16992 1 21 6 SER . 16992 1 22 7 LYS . 16992 1 23 8 TRP . 16992 1 24 9 SER . 16992 1 25 10 GLY . 16992 1 26 11 PRO . 16992 1 27 12 LEU . 16992 1 28 13 SER . 16992 1 29 14 LEU . 16992 1 30 15 GLN . 16992 1 31 16 GLU . 16992 1 32 17 VAL . 16992 1 33 18 ASP . 16992 1 34 19 GLU . 16992 1 35 20 GLN . 16992 1 36 21 PRO . 16992 1 37 22 GLN . 16992 1 38 23 HIS . 16992 1 39 24 PRO . 16992 1 40 25 LEU . 16992 1 41 26 HIS . 16992 1 42 27 VAL . 16992 1 43 28 THR . 16992 1 44 29 TYR . 16992 1 45 30 ALA . 16992 1 46 31 GLY . 16992 1 47 32 ALA . 16992 1 48 33 ALA . 16992 1 49 34 VAL . 16992 1 50 35 ASP . 16992 1 51 36 GLU . 16992 1 52 37 LEU . 16992 1 53 38 GLY . 16992 1 54 39 LYS . 16992 1 55 40 VAL . 16992 1 56 41 LEU . 16992 1 57 42 THR . 16992 1 58 43 PRO . 16992 1 59 44 THR . 16992 1 60 45 GLN . 16992 1 61 46 VAL . 16992 1 62 47 LYS . 16992 1 63 48 ASN . 16992 1 64 49 ARG . 16992 1 65 50 PRO . 16992 1 66 51 THR . 16992 1 67 52 SER . 16992 1 68 53 ILE . 16992 1 69 54 SER . 16992 1 70 55 TRP . 16992 1 71 56 ASP . 16992 1 72 57 GLY . 16992 1 73 58 LEU . 16992 1 74 59 ASP . 16992 1 75 60 SER . 16992 1 76 61 GLY . 16992 1 77 62 LYS . 16992 1 78 63 LEU . 16992 1 79 64 TYR . 16992 1 80 65 THR . 16992 1 81 66 LEU . 16992 1 82 67 VAL . 16992 1 83 68 LEU . 16992 1 84 69 THR . 16992 1 85 70 ASP . 16992 1 86 71 PRO . 16992 1 87 72 ASP . 16992 1 88 73 ALA . 16992 1 89 74 PRO . 16992 1 90 75 SER . 16992 1 91 76 ARG . 16992 1 92 77 LYS . 16992 1 93 78 ASP . 16992 1 94 79 PRO . 16992 1 95 80 LYS . 16992 1 96 81 TYR . 16992 1 97 82 ARG . 16992 1 98 83 GLU . 16992 1 99 84 TRP . 16992 1 100 85 HIS . 16992 1 101 86 HIS . 16992 1 102 87 PHE . 16992 1 103 88 LEU . 16992 1 104 89 VAL . 16992 1 105 90 VAL . 16992 1 106 91 ASN . 16992 1 107 92 MET . 16992 1 108 93 LYS . 16992 1 109 94 GLY . 16992 1 110 95 ASN . 16992 1 111 96 ASP . 16992 1 112 97 ILE . 16992 1 113 98 SER . 16992 1 114 99 SER . 16992 1 115 100 GLY . 16992 1 116 101 THR . 16992 1 117 102 VAL . 16992 1 118 103 LEU . 16992 1 119 104 SER . 16992 1 120 105 ASP . 16992 1 121 106 TYR . 16992 1 122 107 VAL . 16992 1 123 108 GLY . 16992 1 124 109 SER . 16992 1 125 110 GLY . 16992 1 126 111 PRO . 16992 1 127 112 PRO . 16992 1 128 113 LYS . 16992 1 129 114 GLY . 16992 1 130 115 THR . 16992 1 131 116 GLY . 16992 1 132 117 LEU . 16992 1 133 118 HIS . 16992 1 134 119 ARG . 16992 1 135 120 TYR . 16992 1 136 121 VAL . 16992 1 137 122 TRP . 16992 1 138 123 LEU . 16992 1 139 124 VAL . 16992 1 140 125 TYR . 16992 1 141 126 GLU . 16992 1 142 127 GLN . 16992 1 143 128 ASP . 16992 1 144 129 ARG . 16992 1 145 130 PRO . 16992 1 146 131 LEU . 16992 1 147 132 LYS . 16992 1 148 133 CYS . 16992 1 149 134 ASP . 16992 1 150 135 GLU . 16992 1 151 136 PRO . 16992 1 152 137 ILE . 16992 1 153 138 LEU . 16992 1 154 139 SER . 16992 1 155 140 ASN . 16992 1 156 141 ARG . 16992 1 157 142 SER . 16992 1 158 143 GLY . 16992 1 159 144 ASP . 16992 1 160 145 HIS . 16992 1 161 146 ARG . 16992 1 162 147 GLY . 16992 1 163 148 LYS . 16992 1 164 149 PHE . 16992 1 165 150 LYS . 16992 1 166 151 VAL . 16992 1 167 152 ALA . 16992 1 168 153 SER . 16992 1 169 154 PHE . 16992 1 170 155 ARG . 16992 1 171 156 LYS . 16992 1 172 157 LYS . 16992 1 173 158 TYR . 16992 1 174 159 GLU . 16992 1 175 160 LEU . 16992 1 176 161 ARG . 16992 1 177 162 ALA . 16992 1 178 163 PRO . 16992 1 179 164 VAL . 16992 1 180 165 ALA . 16992 1 181 166 GLY . 16992 1 182 167 THR . 16992 1 183 168 CYS . 16992 1 184 169 TYR . 16992 1 185 170 GLN . 16992 1 186 171 ALA . 16992 1 187 172 GLU . 16992 1 188 173 TRP . 16992 1 189 174 ASP . 16992 1 190 175 ASP . 16992 1 191 176 TYR . 16992 1 192 177 VAL . 16992 1 193 178 PRO . 16992 1 194 179 LYS . 16992 1 195 180 LEU . 16992 1 196 181 TYR . 16992 1 197 182 GLU . 16992 1 198 183 GLN . 16992 1 199 184 LEU . 16992 1 200 185 SER . 16992 1 201 186 GLY . 16992 1 202 187 LYS . 16992 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 16992 1 . SER 2 2 16992 1 . TYR 3 3 16992 1 . TYR 4 4 16992 1 . HIS 5 5 16992 1 . HIS 6 6 16992 1 . HIS 7 7 16992 1 . HIS 8 8 16992 1 . HIS 9 9 16992 1 . HIS 10 10 16992 1 . GLU 11 11 16992 1 . GLY 12 12 16992 1 . VAL 13 13 16992 1 . ARG 14 14 16992 1 . THR 15 15 16992 1 . MET 16 16 16992 1 . PRO 17 17 16992 1 . VAL 18 18 16992 1 . ASP 19 19 16992 1 . LEU 20 20 16992 1 . SER 21 21 16992 1 . LYS 22 22 16992 1 . TRP 23 23 16992 1 . SER 24 24 16992 1 . GLY 25 25 16992 1 . PRO 26 26 16992 1 . LEU 27 27 16992 1 . SER 28 28 16992 1 . LEU 29 29 16992 1 . GLN 30 30 16992 1 . GLU 31 31 16992 1 . VAL 32 32 16992 1 . ASP 33 33 16992 1 . GLU 34 34 16992 1 . GLN 35 35 16992 1 . PRO 36 36 16992 1 . GLN 37 37 16992 1 . HIS 38 38 16992 1 . PRO 39 39 16992 1 . LEU 40 40 16992 1 . HIS 41 41 16992 1 . VAL 42 42 16992 1 . THR 43 43 16992 1 . TYR 44 44 16992 1 . ALA 45 45 16992 1 . GLY 46 46 16992 1 . ALA 47 47 16992 1 . ALA 48 48 16992 1 . VAL 49 49 16992 1 . ASP 50 50 16992 1 . GLU 51 51 16992 1 . LEU 52 52 16992 1 . GLY 53 53 16992 1 . LYS 54 54 16992 1 . VAL 55 55 16992 1 . LEU 56 56 16992 1 . THR 57 57 16992 1 . PRO 58 58 16992 1 . THR 59 59 16992 1 . GLN 60 60 16992 1 . VAL 61 61 16992 1 . LYS 62 62 16992 1 . ASN 63 63 16992 1 . ARG 64 64 16992 1 . PRO 65 65 16992 1 . THR 66 66 16992 1 . SER 67 67 16992 1 . ILE 68 68 16992 1 . SER 69 69 16992 1 . TRP 70 70 16992 1 . ASP 71 71 16992 1 . GLY 72 72 16992 1 . LEU 73 73 16992 1 . ASP 74 74 16992 1 . SER 75 75 16992 1 . GLY 76 76 16992 1 . LYS 77 77 16992 1 . LEU 78 78 16992 1 . TYR 79 79 16992 1 . THR 80 80 16992 1 . LEU 81 81 16992 1 . VAL 82 82 16992 1 . LEU 83 83 16992 1 . THR 84 84 16992 1 . ASP 85 85 16992 1 . PRO 86 86 16992 1 . ASP 87 87 16992 1 . ALA 88 88 16992 1 . PRO 89 89 16992 1 . SER 90 90 16992 1 . ARG 91 91 16992 1 . LYS 92 92 16992 1 . ASP 93 93 16992 1 . PRO 94 94 16992 1 . LYS 95 95 16992 1 . TYR 96 96 16992 1 . ARG 97 97 16992 1 . GLU 98 98 16992 1 . TRP 99 99 16992 1 . HIS 100 100 16992 1 . HIS 101 101 16992 1 . PHE 102 102 16992 1 . LEU 103 103 16992 1 . VAL 104 104 16992 1 . VAL 105 105 16992 1 . ASN 106 106 16992 1 . MET 107 107 16992 1 . LYS 108 108 16992 1 . GLY 109 109 16992 1 . ASN 110 110 16992 1 . ASP 111 111 16992 1 . ILE 112 112 16992 1 . SER 113 113 16992 1 . SER 114 114 16992 1 . GLY 115 115 16992 1 . THR 116 116 16992 1 . VAL 117 117 16992 1 . LEU 118 118 16992 1 . SER 119 119 16992 1 . ASP 120 120 16992 1 . TYR 121 121 16992 1 . VAL 122 122 16992 1 . GLY 123 123 16992 1 . SER 124 124 16992 1 . GLY 125 125 16992 1 . PRO 126 126 16992 1 . PRO 127 127 16992 1 . LYS 128 128 16992 1 . GLY 129 129 16992 1 . THR 130 130 16992 1 . GLY 131 131 16992 1 . LEU 132 132 16992 1 . HIS 133 133 16992 1 . ARG 134 134 16992 1 . TYR 135 135 16992 1 . VAL 136 136 16992 1 . TRP 137 137 16992 1 . LEU 138 138 16992 1 . VAL 139 139 16992 1 . TYR 140 140 16992 1 . GLU 141 141 16992 1 . GLN 142 142 16992 1 . ASP 143 143 16992 1 . ARG 144 144 16992 1 . PRO 145 145 16992 1 . LEU 146 146 16992 1 . LYS 147 147 16992 1 . CYS 148 148 16992 1 . ASP 149 149 16992 1 . GLU 150 150 16992 1 . PRO 151 151 16992 1 . ILE 152 152 16992 1 . LEU 153 153 16992 1 . SER 154 154 16992 1 . ASN 155 155 16992 1 . ARG 156 156 16992 1 . SER 157 157 16992 1 . GLY 158 158 16992 1 . ASP 159 159 16992 1 . HIS 160 160 16992 1 . ARG 161 161 16992 1 . GLY 162 162 16992 1 . LYS 163 163 16992 1 . PHE 164 164 16992 1 . LYS 165 165 16992 1 . VAL 166 166 16992 1 . ALA 167 167 16992 1 . SER 168 168 16992 1 . PHE 169 169 16992 1 . ARG 170 170 16992 1 . LYS 171 171 16992 1 . LYS 172 172 16992 1 . TYR 173 173 16992 1 . GLU 174 174 16992 1 . LEU 175 175 16992 1 . ARG 176 176 16992 1 . ALA 177 177 16992 1 . PRO 178 178 16992 1 . VAL 179 179 16992 1 . ALA 180 180 16992 1 . GLY 181 181 16992 1 . THR 182 182 16992 1 . CYS 183 183 16992 1 . TYR 184 184 16992 1 . GLN 185 185 16992 1 . ALA 186 186 16992 1 . GLU 187 187 16992 1 . TRP 188 188 16992 1 . ASP 189 189 16992 1 . ASP 190 190 16992 1 . TYR 191 191 16992 1 . VAL 192 192 16992 1 . PRO 193 193 16992 1 . LYS 194 194 16992 1 . LEU 195 195 16992 1 . TYR 196 196 16992 1 . GLU 197 197 16992 1 . GLN 198 198 16992 1 . LEU 199 199 16992 1 . SER 200 200 16992 1 . GLY 201 201 16992 1 . LYS 202 202 16992 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 16992 _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 $RKIP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16992 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 16992 _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 $RKIP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET28a . . . . . . 16992 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16992 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'acetic acid' 'natural abundance' . . . . . . 200 . . mM . . . . 16992 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16992 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16992 1 4 RKIP '[U-100% 13C; U-100% 15N]' . . 1 $RKIP . . 3 . . mM . . . . 16992 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16992 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16992 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.4 . M 16992 1 pH 4.0 . pH 16992 1 pressure 1 . atm 16992 1 temperature 298 . K 16992 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16992 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16992 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16992 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16992 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16992 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16992 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 16992 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16992 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16992 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16992 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16992 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16992 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16992 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16992 1 2 '3D CBCA(CO)NH' . . . 16992 1 3 '3D C(CO)NH' . . . 16992 1 4 '3D HCCH-TOCSY' . . . 16992 1 5 '3D HN(CO)CA' . . . 16992 1 6 '3D HNCA' . . . 16992 1 7 '3D HBHA(CO)NH' . . . 16992 1 8 '3D 1H-15N TOCSY' . . . 16992 1 9 '3D HNCO' . . . 16992 1 10 '3D HNCACB' . . . 16992 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 16 16 MET H H 1 8.544 0.009 6 1 . . . . 1 M HN . 16992 1 2 . 1 1 16 16 MET HA H 1 4.840 0.006 7 1 . . . . 1 M HA . 16992 1 3 . 1 1 16 16 MET HB2 H 1 2.096 0.016 4 1 . . . . 1 M HB1 . 16992 1 4 . 1 1 16 16 MET HB3 H 1 2.005 0.017 6 1 . . . . 1 M HB2 . 16992 1 5 . 1 1 16 16 MET HG2 H 1 2.647 0.015 5 1 . . . . 1 M HG1 . 16992 1 6 . 1 1 16 16 MET HG3 H 1 2.589 0.032 5 1 . . . . 1 M HG2 . 16992 1 7 . 1 1 16 16 MET C C 13 175.296 0.007 2 1 . . . . 1 M CO . 16992 1 8 . 1 1 16 16 MET CA C 13 54.340 0.032 9 1 . . . . 1 M CA . 16992 1 9 . 1 1 16 16 MET CB C 13 33.593 0.080 6 1 . . . . 1 M CB . 16992 1 10 . 1 1 16 16 MET CG C 13 33.318 0.079 9 1 . . . . 1 M CG . 16992 1 11 . 1 1 16 16 MET N N 15 125.416 0.013 4 1 . . . . 1 M N . 16992 1 12 . 1 1 17 17 PRO HA H 1 4.518 0.003 8 1 . . . . 2 P HA . 16992 1 13 . 1 1 17 17 PRO HB2 H 1 2.342 0.009 9 1 . . . . 2 P HB1 . 16992 1 14 . 1 1 17 17 PRO HB3 H 1 1.986 0.004 5 1 . . . . 2 P HB2 . 16992 1 15 . 1 1 17 17 PRO HD2 H 1 3.854 0.002 5 1 . . . . 2 P HD1 . 16992 1 16 . 1 1 17 17 PRO HD3 H 1 3.749 0.023 7 1 . . . . 2 P HD2 . 16992 1 17 . 1 1 17 17 PRO HG2 H 1 2.054 0.010 5 1 . . . . 2 P HG . 16992 1 18 . 1 1 17 17 PRO HG3 H 1 2.054 0.010 5 1 . . . . 2 P HG . 16992 1 19 . 1 1 17 17 PRO C C 13 178.055 0.043 2 1 . . . . 2 P CO . 16992 1 20 . 1 1 17 17 PRO CA C 13 64.258 0.061 7 1 . . . . 2 P CA . 16992 1 21 . 1 1 17 17 PRO CB C 13 33.274 0.024 9 1 . . . . 2 P CB . 16992 1 22 . 1 1 17 17 PRO CD C 13 51.880 0.023 8 1 . . . . 2 P CD . 16992 1 23 . 1 1 17 17 PRO CG C 13 28.583 0.036 8 1 . . . . 2 P CG . 16992 1 24 . 1 1 18 18 VAL H H 1 8.315 0.008 6 1 . . . . 3 V HN . 16992 1 25 . 1 1 18 18 VAL HA H 1 4.002 0.031 9 1 . . . . 3 V HA . 16992 1 26 . 1 1 18 18 VAL HB H 1 2.037 0.014 9 1 . . . . 3 V HB . 16992 1 27 . 1 1 18 18 VAL HG11 H 1 0.890 0.042 7 1 . . . . 3 V HG1 . 16992 1 28 . 1 1 18 18 VAL HG12 H 1 0.890 0.042 7 1 . . . . 3 V HG1 . 16992 1 29 . 1 1 18 18 VAL HG13 H 1 0.890 0.042 7 1 . . . . 3 V HG1 . 16992 1 30 . 1 1 18 18 VAL HG21 H 1 1.000 0.011 8 1 . . . . 3 V HG2 . 16992 1 31 . 1 1 18 18 VAL HG22 H 1 1.000 0.011 8 1 . . . . 3 V HG2 . 16992 1 32 . 1 1 18 18 VAL HG23 H 1 1.000 0.011 8 1 . . . . 3 V HG2 . 16992 1 33 . 1 1 18 18 VAL C C 13 176.321 0.023 3 1 . . . . 3 V CO . 16992 1 34 . 1 1 18 18 VAL CA C 13 64.292 0.072 6 1 . . . . 3 V CA . 16992 1 35 . 1 1 18 18 VAL CB C 13 33.466 0.057 5 1 . . . . 3 V CB . 16992 1 36 . 1 1 18 18 VAL CG1 C 13 21.123 0.017 5 1 . . . . 3 V CG1 . 16992 1 37 . 1 1 18 18 VAL CG2 C 13 21.960 0.009 2 1 . . . . 3 V CG2 . 16992 1 38 . 1 1 18 18 VAL N N 15 121.984 0.002 4 1 . . . . 3 V N . 16992 1 39 . 1 1 19 19 ASP H H 1 8.396 0.007 8 1 . . . . 4 D HN . 16992 1 40 . 1 1 19 19 ASP HA H 1 4.759 0.006 7 1 . . . . 4 D HA . 16992 1 41 . 1 1 19 19 ASP HB2 H 1 2.905 0.012 3 1 . . . . 4 D HB1 . 16992 1 42 . 1 1 19 19 ASP HB3 H 1 2.832 0.014 3 1 . . . . 4 D HB2 . 16992 1 43 . 1 1 19 19 ASP C C 13 177.905 0.050 3 1 . . . . 4 D CO . 16992 1 44 . 1 1 19 19 ASP CA C 13 54.472 0.046 9 1 . . . . 4 D CA . 16992 1 45 . 1 1 19 19 ASP CB C 13 42.414 0.028 3 1 . . . . 4 D CB . 16992 1 46 . 1 1 19 19 ASP N N 15 125.897 0.014 5 1 . . . . 4 D N . 16992 1 47 . 1 1 20 20 LEU H H 1 8.728 0.005 6 1 . . . . 5 L HN . 16992 1 48 . 1 1 20 20 LEU HA H 1 4.394 0.019 10 1 . . . . 5 L HA . 16992 1 49 . 1 1 20 20 LEU HB2 H 1 1.740 0.016 3 1 . . . . 5 L HB1 . 16992 1 50 . 1 1 20 20 LEU HB3 H 1 1.625 0.029 5 1 . . . . 5 L HB2 . 16992 1 51 . 1 1 20 20 LEU HD11 H 1 0.892 0.016 9 1 . . . . 5 L HD1 . 16992 1 52 . 1 1 20 20 LEU HD12 H 1 0.892 0.016 9 1 . . . . 5 L HD1 . 16992 1 53 . 1 1 20 20 LEU HD13 H 1 0.892 0.016 9 1 . . . . 5 L HD1 . 16992 1 54 . 1 1 20 20 LEU HD21 H 1 0.613 0.012 10 1 . . . . 5 L HD2 . 16992 1 55 . 1 1 20 20 LEU HD22 H 1 0.613 0.012 10 1 . . . . 5 L HD2 . 16992 1 56 . 1 1 20 20 LEU HD23 H 1 0.613 0.012 10 1 . . . . 5 L HD2 . 16992 1 57 . 1 1 20 20 LEU HG H 1 1.595 0.002 2 1 . . . . 5 L HG . 16992 1 58 . 1 1 20 20 LEU C C 13 178.780 0.058 3 1 . . . . 5 L CO . 16992 1 59 . 1 1 20 20 LEU CA C 13 56.747 0.051 9 1 . . . . 5 L CA . 16992 1 60 . 1 1 20 20 LEU CB C 13 43.280 0.041 7 1 . . . . 5 L CB . 16992 1 61 . 1 1 20 20 LEU CD1 C 13 24.629 0.016 5 1 . . . . 5 L CD1 . 16992 1 62 . 1 1 20 20 LEU CD2 C 13 26.777 0.047 6 1 . . . . 5 L CD2 . 16992 1 63 . 1 1 20 20 LEU CG C 13 28.032 0.052 3 1 . . . . 5 L CG . 16992 1 64 . 1 1 20 20 LEU N N 15 123.687 0.040 3 1 . . . . 5 L N . 16992 1 65 . 1 1 21 21 SER H H 1 8.568 0.007 8 1 . . . . 6 S HN . 16992 1 66 . 1 1 21 21 SER HA H 1 4.298 0.015 9 1 . . . . 6 S HA . 16992 1 67 . 1 1 21 21 SER HB2 H 1 4.060 0.042 2 1 . . . . 6 S HB . 16992 1 68 . 1 1 21 21 SER HB3 H 1 4.060 0.042 2 1 . . . . 6 S HB . 16992 1 69 . 1 1 21 21 SER C C 13 177.532 0.022 3 1 . . . . 6 S CO . 16992 1 70 . 1 1 21 21 SER CA C 13 62.806 0.053 9 1 . . . . 6 S CA . 16992 1 71 . 1 1 21 21 SER CB C 13 63.753 0.066 3 1 . . . . 6 S CB . 16992 1 72 . 1 1 21 21 SER N N 15 116.763 0.013 4 1 . . . . 6 S N . 16992 1 73 . 1 1 22 22 LYS H H 1 7.733 0.005 8 1 . . . . 7 K HN . 16992 1 74 . 1 1 22 22 LYS HA H 1 4.476 0.016 9 1 . . . . 7 K HA . 16992 1 75 . 1 1 22 22 LYS HB2 H 1 1.888 0.016 4 1 . . . . 7 K HB . 16992 1 76 . 1 1 22 22 LYS HB3 H 1 1.888 0.016 4 1 . . . . 7 K HB . 16992 1 77 . 1 1 22 22 LYS HD2 H 1 1.694 0.007 5 1 . . . . 7 K HD . 16992 1 78 . 1 1 22 22 LYS HD3 H 1 1.694 0.007 5 1 . . . . 7 K HD . 16992 1 79 . 1 1 22 22 LYS HG2 H 1 1.590 0.009 3 1 . . . . 7 K HG1 . 16992 1 80 . 1 1 22 22 LYS HG3 H 1 1.435 0.011 3 1 . . . . 7 K HG2 . 16992 1 81 . 1 1 22 22 LYS C C 13 178.312 0.037 2 1 . . . . 7 K CO . 16992 1 82 . 1 1 22 22 LYS CA C 13 57.005 0.060 5 1 . . . . 7 K CA . 16992 1 83 . 1 1 22 22 LYS CB C 13 32.812 0.060 5 1 . . . . 7 K CB . 16992 1 84 . 1 1 22 22 LYS CD C 13 29.765 0.026 2 1 . . . . 7 K CD . 16992 1 85 . 1 1 22 22 LYS CG C 13 26.647 0.059 5 1 . . . . 7 K CG . 16992 1 86 . 1 1 22 22 LYS N N 15 120.294 0.005 4 1 . . . . 7 K N . 16992 1 87 . 1 1 23 23 TRP H H 1 8.442 0.004 4 1 . . . . 8 W HN . 16992 1 88 . 1 1 23 23 TRP HA H 1 3.839 0.024 7 1 . . . . 8 W HA . 16992 1 89 . 1 1 23 23 TRP HB2 H 1 3.777 0.006 3 1 . . . . 8 W HB1 . 16992 1 90 . 1 1 23 23 TRP HB3 H 1 3.378 0.013 8 1 . . . . 8 W HB2 . 16992 1 91 . 1 1 23 23 TRP C C 13 175.464 0.017 3 1 . . . . 8 W CO . 16992 1 92 . 1 1 23 23 TRP CA C 13 63.431 0.060 9 1 . . . . 8 W CA . 16992 1 93 . 1 1 23 23 TRP CB C 13 30.788 0.060 8 1 . . . . 8 W CB . 16992 1 94 . 1 1 23 23 TRP N N 15 126.079 0.017 2 1 . . . . 8 W N . 16992 1 95 . 1 1 24 24 SER H H 1 7.760 0.007 5 1 . . . . 9 S HN . 16992 1 96 . 1 1 24 24 SER HA H 1 5.279 0.008 7 1 . . . . 9 S HA . 16992 1 97 . 1 1 24 24 SER HB2 H 1 4.043 0.008 2 1 . . . . 9 S HB1 . 16992 1 98 . 1 1 24 24 SER HB3 H 1 4.019 0.034 6 1 . . . . 9 S HB2 . 16992 1 99 . 1 1 24 24 SER CA C 13 57.940 0.030 11 1 . . . . 9 S CA . 16992 1 100 . 1 1 24 24 SER CB C 13 64.329 0.060 4 1 . . . . 9 S CB . 16992 1 101 . 1 1 24 24 SER N N 15 106.455 0.011 2 1 . . . . 9 S N . 16992 1 102 . 1 1 25 25 GLY H H 1 7.318 0.007 7 1 . . . . 10 G HN . 16992 1 103 . 1 1 25 25 GLY HA2 H 1 4.352 0.016 5 1 . . . . 10 G HA1 . 16992 1 104 . 1 1 25 25 GLY HA3 H 1 3.913 0.011 5 1 . . . . 10 G HA2 . 16992 1 105 . 1 1 25 25 GLY CA C 13 45.198 0.045 8 1 . . . . 10 G CA . 16992 1 106 . 1 1 25 25 GLY N N 15 109.829 0.002 3 1 . . . . 10 G N . 16992 1 107 . 1 1 26 26 PRO HA H 1 4.233 0.011 7 1 . . . . 11 P HA . 16992 1 108 . 1 1 26 26 PRO HB2 H 1 2.357 0.016 5 1 . . . . 11 P HB1 . 16992 1 109 . 1 1 26 26 PRO HB3 H 1 1.828 0.008 5 1 . . . . 11 P HB2 . 16992 1 110 . 1 1 26 26 PRO HD2 H 1 3.894 0.001 2 1 . . . . 11 P HD1 . 16992 1 111 . 1 1 26 26 PRO HD3 H 1 3.631 0.004 3 1 . . . . 11 P HD2 . 16992 1 112 . 1 1 26 26 PRO HG2 H 1 2.012 0.012 4 1 . . . . 11 P HG1 . 16992 1 113 . 1 1 26 26 PRO HG3 H 1 1.331 0.002 3 1 . . . . 11 P HG2 . 16992 1 114 . 1 1 26 26 PRO C C 13 179.794 0.073 2 1 . . . . 11 P CO . 16992 1 115 . 1 1 26 26 PRO CA C 13 66.462 0.071 7 1 . . . . 11 P CA . 16992 1 116 . 1 1 26 26 PRO CB C 13 33.093 0.046 6 1 . . . . 11 P CB . 16992 1 117 . 1 1 26 26 PRO CD C 13 51.300 0.044 4 1 . . . . 11 P CD . 16992 1 118 . 1 1 26 26 PRO CG C 13 28.556 0.063 6 1 . . . . 11 P CG . 16992 1 119 . 1 1 27 27 LEU H H 1 9.137 0.009 7 1 . . . . 12 L HN . 16992 1 120 . 1 1 27 27 LEU HA H 1 3.873 0.010 9 1 . . . . 12 L HA . 16992 1 121 . 1 1 27 27 LEU HB2 H 1 1.588 0.011 8 1 . . . . 12 L HB1 . 16992 1 122 . 1 1 27 27 LEU HB3 H 1 1.070 0.008 5 1 . . . . 12 L HB2 . 16992 1 123 . 1 1 27 27 LEU HD11 H 1 0.641 0.024 5 1 . . . . 12 L HD1 . 16992 1 124 . 1 1 27 27 LEU HD12 H 1 0.641 0.024 5 1 . . . . 12 L HD1 . 16992 1 125 . 1 1 27 27 LEU HD13 H 1 0.641 0.024 5 1 . . . . 12 L HD1 . 16992 1 126 . 1 1 27 27 LEU HD21 H 1 0.636 0.020 7 1 . . . . 12 L HD2 . 16992 1 127 . 1 1 27 27 LEU HD22 H 1 0.636 0.020 7 1 . . . . 12 L HD2 . 16992 1 128 . 1 1 27 27 LEU HD23 H 1 0.636 0.020 7 1 . . . . 12 L HD2 . 16992 1 129 . 1 1 27 27 LEU HG H 1 1.594 0.007 4 1 . . . . 12 L HG . 16992 1 130 . 1 1 27 27 LEU C C 13 177.109 0.028 2 1 . . . . 12 L CO . 16992 1 131 . 1 1 27 27 LEU CA C 13 58.235 0.045 7 1 . . . . 12 L CA . 16992 1 132 . 1 1 27 27 LEU CB C 13 43.529 0.045 10 1 . . . . 12 L CB . 16992 1 133 . 1 1 27 27 LEU CD1 C 13 27.167 0.058 3 1 . . . . 12 L CD1 . 16992 1 134 . 1 1 27 27 LEU CD2 C 13 23.730 0.058 6 1 . . . . 12 L CD2 . 16992 1 135 . 1 1 27 27 LEU CG C 13 28.150 0.055 4 1 . . . . 12 L CG . 16992 1 136 . 1 1 27 27 LEU N N 15 118.364 0.010 4 1 . . . . 12 L N . 16992 1 137 . 1 1 28 28 SER H H 1 8.575 0.005 6 1 . . . . 13 S HN . 16992 1 138 . 1 1 28 28 SER HA H 1 4.383 0.018 8 1 . . . . 13 S HA . 16992 1 139 . 1 1 28 28 SER HB2 H 1 3.827 0.000 2 1 . . . . 13 S HB1 . 16992 1 140 . 1 1 28 28 SER HB3 H 1 3.476 0.006 7 1 . . . . 13 S HB2 . 16992 1 141 . 1 1 28 28 SER CA C 13 58.787 0.072 7 1 . . . . 13 S CA . 16992 1 142 . 1 1 28 28 SER CB C 13 63.751 0.058 8 1 . . . . 13 S CB . 16992 1 143 . 1 1 28 28 SER N N 15 112.106 0.013 3 1 . . . . 13 S N . 16992 1 144 . 1 1 29 29 LEU H H 1 8.131 0.006 8 1 . . . . 14 L HN . 16992 1 145 . 1 1 29 29 LEU HA H 1 3.481 0.012 10 1 . . . . 14 L HA . 16992 1 146 . 1 1 29 29 LEU HB2 H 1 -0.104 0.009 9 1 . . . . 14 L HB1 . 16992 1 147 . 1 1 29 29 LEU HB3 H 1 -0.283 0.031 4 1 . . . . 14 L HB2 . 16992 1 148 . 1 1 29 29 LEU HD11 H 1 0.466 0.012 6 1 . . . . 14 L HD1 . 16992 1 149 . 1 1 29 29 LEU HD12 H 1 0.466 0.012 6 1 . . . . 14 L HD1 . 16992 1 150 . 1 1 29 29 LEU HD13 H 1 0.466 0.012 6 1 . . . . 14 L HD1 . 16992 1 151 . 1 1 29 29 LEU HD21 H 1 0.468 0.009 3 1 . . . . 14 L HD2 . 16992 1 152 . 1 1 29 29 LEU HD22 H 1 0.468 0.009 3 1 . . . . 14 L HD2 . 16992 1 153 . 1 1 29 29 LEU HD23 H 1 0.468 0.009 3 1 . . . . 14 L HD2 . 16992 1 154 . 1 1 29 29 LEU HG H 1 1.019 0.019 5 1 . . . . 14 L HG . 16992 1 155 . 1 1 29 29 LEU C C 13 179.713 0.054 3 1 . . . . 14 L CO . 16992 1 156 . 1 1 29 29 LEU CA C 13 58.064 0.066 8 1 . . . . 14 L CA . 16992 1 157 . 1 1 29 29 LEU CB C 13 38.506 0.048 8 1 . . . . 14 L CB . 16992 1 158 . 1 1 29 29 LEU CD1 C 13 26.886 0.062 3 1 . . . . 14 L CD1 . 16992 1 159 . 1 1 29 29 LEU CD2 C 13 25.018 0.047 5 1 . . . . 14 L CD2 . 16992 1 160 . 1 1 29 29 LEU N N 15 117.254 0.024 4 1 . . . . 14 L N . 16992 1 161 . 1 1 30 30 GLN H H 1 9.553 0.006 7 1 . . . . 15 Q HN . 16992 1 162 . 1 1 30 30 GLN HA H 1 4.817 0.005 6 1 . . . . 15 Q HA . 16992 1 163 . 1 1 30 30 GLN HB2 H 1 2.173 0.015 7 1 . . . . 15 Q HB . 16992 1 164 . 1 1 30 30 GLN HB3 H 1 2.173 0.015 7 1 . . . . 15 Q HB . 16992 1 165 . 1 1 30 30 GLN HG2 H 1 2.661 0.010 6 1 . . . . 15 Q HG . 16992 1 166 . 1 1 30 30 GLN HG3 H 1 2.661 0.010 6 1 . . . . 15 Q HG . 16992 1 167 . 1 1 30 30 GLN C C 13 178.578 0.046 2 1 . . . . 15 Q CO . 16992 1 168 . 1 1 30 30 GLN CA C 13 58.419 0.070 10 1 . . . . 15 Q CA . 16992 1 169 . 1 1 30 30 GLN CB C 13 26.485 0.025 5 1 . . . . 15 Q CB . 16992 1 170 . 1 1 30 30 GLN CG C 13 33.819 0.039 4 1 . . . . 15 Q CG . 16992 1 171 . 1 1 30 30 GLN N N 15 122.875 0.014 3 1 . . . . 15 Q N . 16992 1 172 . 1 1 31 31 GLU H H 1 7.649 0.008 8 1 . . . . 16 E HN . 16992 1 173 . 1 1 31 31 GLU HA H 1 4.092 0.014 6 1 . . . . 16 E HA . 16992 1 174 . 1 1 31 31 GLU HB2 H 1 2.018 0.008 3 1 . . . . 16 E HB1 . 16992 1 175 . 1 1 31 31 GLU HB3 H 1 1.875 0.003 2 1 . . . . 16 E HB2 . 16992 1 176 . 1 1 31 31 GLU HG2 H 1 2.439 0.021 4 1 . . . . 16 E HG1 . 16992 1 177 . 1 1 31 31 GLU HG3 H 1 2.316 0.023 3 1 . . . . 16 E HG2 . 16992 1 178 . 1 1 31 31 GLU C C 13 177.599 0.039 3 1 . . . . 16 E CO . 16992 1 179 . 1 1 31 31 GLU CA C 13 59.339 0.062 12 1 . . . . 16 E CA . 16992 1 180 . 1 1 31 31 GLU CB C 13 31.600 0.078 8 1 . . . . 16 E CB . 16992 1 181 . 1 1 31 31 GLU CG C 13 38.370 0.062 3 1 . . . . 16 E CG . 16992 1 182 . 1 1 31 31 GLU N N 15 120.457 0.009 4 1 . . . . 16 E N . 16992 1 183 . 1 1 32 32 VAL H H 1 8.377 0.005 7 1 . . . . 17 V HN . 16992 1 184 . 1 1 32 32 VAL HA H 1 3.962 0.008 8 1 . . . . 17 V HA . 16992 1 185 . 1 1 32 32 VAL HB H 1 2.280 0.011 10 1 . . . . 17 V HB . 16992 1 186 . 1 1 32 32 VAL HG11 H 1 0.992 0.007 11 1 . . . . 17 V HG1 . 16992 1 187 . 1 1 32 32 VAL HG12 H 1 0.992 0.007 11 1 . . . . 17 V HG1 . 16992 1 188 . 1 1 32 32 VAL HG13 H 1 0.992 0.007 11 1 . . . . 17 V HG1 . 16992 1 189 . 1 1 32 32 VAL HG21 H 1 0.790 0.006 8 1 . . . . 17 V HG2 . 16992 1 190 . 1 1 32 32 VAL HG22 H 1 0.790 0.006 8 1 . . . . 17 V HG2 . 16992 1 191 . 1 1 32 32 VAL HG23 H 1 0.790 0.006 8 1 . . . . 17 V HG2 . 16992 1 192 . 1 1 32 32 VAL C C 13 176.177 0.030 3 1 . . . . 17 V CO . 16992 1 193 . 1 1 32 32 VAL CA C 13 66.164 0.068 9 1 . . . . 17 V CA . 16992 1 194 . 1 1 32 32 VAL CB C 13 33.250 0.063 6 1 . . . . 17 V CB . 16992 1 195 . 1 1 32 32 VAL CG1 C 13 24.379 0.015 8 1 . . . . 17 V CG1 . 16992 1 196 . 1 1 32 32 VAL CG2 C 13 22.649 0.058 6 1 . . . . 17 V CG2 . 16992 1 197 . 1 1 32 32 VAL N N 15 120.604 0.056 3 1 . . . . 17 V N . 16992 1 198 . 1 1 33 33 ASP H H 1 8.145 0.007 7 1 . . . . 18 D HN . 16992 1 199 . 1 1 33 33 ASP HA H 1 4.762 0.013 7 1 . . . . 18 D HA . 16992 1 200 . 1 1 33 33 ASP HB2 H 1 2.990 0.013 3 1 . . . . 18 D HB1 . 16992 1 201 . 1 1 33 33 ASP HB3 H 1 2.609 0.008 4 1 . . . . 18 D HB2 . 16992 1 202 . 1 1 33 33 ASP C C 13 174.918 0.023 3 1 . . . . 18 D CO . 16992 1 203 . 1 1 33 33 ASP CA C 13 54.467 0.058 8 1 . . . . 18 D CA . 16992 1 204 . 1 1 33 33 ASP CB C 13 44.105 0.053 8 1 . . . . 18 D CB . 16992 1 205 . 1 1 33 33 ASP N N 15 111.939 0.014 4 1 . . . . 18 D N . 16992 1 206 . 1 1 34 34 GLU H H 1 8.957 0.005 4 1 . . . . 19 E HN . 16992 1 207 . 1 1 34 34 GLU HA H 1 3.999 0.015 6 1 . . . . 19 E HA . 16992 1 208 . 1 1 34 34 GLU HB2 H 1 2.026 0.008 4 1 . . . . 19 E HB1 . 16992 1 209 . 1 1 34 34 GLU HB3 H 1 1.627 0.013 5 1 . . . . 19 E HB2 . 16992 1 210 . 1 1 34 34 GLU HG2 H 1 2.228 0.012 5 1 . . . . 19 E HG1 . 16992 1 211 . 1 1 34 34 GLU HG3 H 1 2.170 0.025 3 1 . . . . 19 E HG2 . 16992 1 212 . 1 1 34 34 GLU C C 13 173.552 0.023 3 1 . . . . 19 E CO . 16992 1 213 . 1 1 34 34 GLU CA C 13 56.948 0.067 11 1 . . . . 19 E CA . 16992 1 214 . 1 1 34 34 GLU CB C 13 32.982 0.079 6 1 . . . . 19 E CB . 16992 1 215 . 1 1 34 34 GLU CG C 13 38.310 0.054 9 1 . . . . 19 E CG . 16992 1 216 . 1 1 34 34 GLU N N 15 118.777 0.011 2 1 . . . . 19 E N . 16992 1 217 . 1 1 35 35 GLN H H 1 7.728 0.006 7 1 . . . . 20 Q HN . 16992 1 218 . 1 1 35 35 GLN HE22 H 1 7.021 0.005 2 1 . . . . 20 Q HE22 . 16992 1 219 . 1 1 35 35 GLN CA C 13 54.313 0.022 2 1 . . . . 20 Q CA . 16992 1 220 . 1 1 35 35 GLN N N 15 117.952 0.018 4 1 . . . . 20 Q N . 16992 1 221 . 1 1 36 36 PRO HA H 1 4.324 0.009 5 1 . . . . 21 P HA . 16992 1 222 . 1 1 36 36 PRO HB2 H 1 1.346 0.015 4 1 . . . . 21 P HB1 . 16992 1 223 . 1 1 36 36 PRO HB3 H 1 1.193 0.003 3 1 . . . . 21 P HB2 . 16992 1 224 . 1 1 36 36 PRO HG2 H 1 0.929 0.006 2 1 . . . . 21 P HG1 . 16992 1 225 . 1 1 36 36 PRO HG3 H 1 0.880 0.034 3 1 . . . . 21 P HG2 . 16992 1 226 . 1 1 36 36 PRO C C 13 176.060 0.020 2 1 . . . . 21 P CO . 16992 1 227 . 1 1 36 36 PRO CA C 13 61.841 0.046 10 1 . . . . 21 P CA . 16992 1 228 . 1 1 36 36 PRO CB C 13 33.535 0.055 12 1 . . . . 21 P CB . 16992 1 229 . 1 1 36 36 PRO CD C 13 50.423 0.025 10 1 . . . . 21 P CD . 16992 1 230 . 1 1 36 36 PRO CG C 13 28.505 0.069 6 1 . . . . 21 P CG . 16992 1 231 . 1 1 37 37 GLN H H 1 6.735 0.003 5 1 . . . . 22 Q HN . 16992 1 232 . 1 1 37 37 GLN HA H 1 3.714 0.010 8 1 . . . . 22 Q HA . 16992 1 233 . 1 1 37 37 GLN HB2 H 1 1.603 0.013 4 1 . . . . 22 Q HB . 16992 1 234 . 1 1 37 37 GLN HB3 H 1 1.603 0.013 4 1 . . . . 22 Q HB . 16992 1 235 . 1 1 37 37 GLN HG2 H 1 2.300 0.011 6 1 . . . . 22 Q HG1 . 16992 1 236 . 1 1 37 37 GLN HG3 H 1 2.092 0.018 8 1 . . . . 22 Q HG2 . 16992 1 237 . 1 1 37 37 GLN C C 13 177.177 0.026 3 1 . . . . 22 Q CO . 16992 1 238 . 1 1 37 37 GLN CA C 13 59.458 0.040 9 1 . . . . 22 Q CA . 16992 1 239 . 1 1 37 37 GLN CB C 13 30.773 0.058 8 1 . . . . 22 Q CB . 16992 1 240 . 1 1 37 37 GLN CG C 13 35.383 0.013 8 1 . . . . 22 Q CG . 16992 1 241 . 1 1 37 37 GLN N N 15 116.535 0.012 3 1 . . . . 22 Q N . 16992 1 242 . 1 1 38 38 HIS H H 1 7.495 0.011 5 1 . . . . 23 H HN . 16992 1 243 . 1 1 38 38 HIS HA H 1 5.251 0.005 5 1 . . . . 23 H HA . 16992 1 244 . 1 1 38 38 HIS HB2 H 1 3.693 0.069 3 1 . . . . 23 H HB1 . 16992 1 245 . 1 1 38 38 HIS HB3 H 1 2.994 0.014 3 1 . . . . 23 H HB2 . 16992 1 246 . 1 1 38 38 HIS CA C 13 53.248 0.045 4 1 . . . . 23 H CA . 16992 1 247 . 1 1 38 38 HIS CB C 13 32.092 0.061 8 1 . . . . 23 H CB . 16992 1 248 . 1 1 38 38 HIS N N 15 113.147 0.033 4 1 . . . . 23 H N . 16992 1 249 . 1 1 39 39 PRO HA H 1 4.807 0.013 5 1 . . . . 24 P HA . 16992 1 250 . 1 1 39 39 PRO HB2 H 1 1.842 0.003 3 1 . . . . 24 P HB . 16992 1 251 . 1 1 39 39 PRO HB3 H 1 1.842 0.003 3 1 . . . . 24 P HB . 16992 1 252 . 1 1 39 39 PRO HD2 H 1 4.260 0.009 5 1 . . . . 24 P HD1 . 16992 1 253 . 1 1 39 39 PRO HD3 H 1 3.920 0.006 2 1 . . . . 24 P HD2 . 16992 1 254 . 1 1 39 39 PRO HG2 H 1 2.325 0.019 4 1 . . . . 24 P HG . 16992 1 255 . 1 1 39 39 PRO HG3 H 1 2.325 0.019 4 1 . . . . 24 P HG . 16992 1 256 . 1 1 39 39 PRO C C 13 176.846 0.035 2 1 . . . . 24 P CO . 16992 1 257 . 1 1 39 39 PRO CA C 13 63.562 0.060 8 1 . . . . 24 P CA . 16992 1 258 . 1 1 39 39 PRO CB C 13 33.171 0.048 3 1 . . . . 24 P CB . 16992 1 259 . 1 1 39 39 PRO CD C 13 51.722 0.056 5 1 . . . . 24 P CD . 16992 1 260 . 1 1 39 39 PRO CG C 13 29.092 0.051 5 1 . . . . 24 P CG . 16992 1 261 . 1 1 40 40 LEU H H 1 7.542 0.003 6 1 . . . . 25 L HN . 16992 1 262 . 1 1 40 40 LEU HA H 1 4.580 0.016 11 1 . . . . 25 L HA . 16992 1 263 . 1 1 40 40 LEU HB2 H 1 1.398 0.017 4 1 . . . . 25 L HB1 . 16992 1 264 . 1 1 40 40 LEU HB3 H 1 0.814 0.007 5 1 . . . . 25 L HB2 . 16992 1 265 . 1 1 40 40 LEU HD11 H 1 0.803 0.007 7 1 . . . . 25 L HD1 . 16992 1 266 . 1 1 40 40 LEU HD12 H 1 0.803 0.007 7 1 . . . . 25 L HD1 . 16992 1 267 . 1 1 40 40 LEU HD13 H 1 0.803 0.007 7 1 . . . . 25 L HD1 . 16992 1 268 . 1 1 40 40 LEU HD21 H 1 0.432 0.007 10 1 . . . . 25 L HD2 . 16992 1 269 . 1 1 40 40 LEU HD22 H 1 0.432 0.007 10 1 . . . . 25 L HD2 . 16992 1 270 . 1 1 40 40 LEU HD23 H 1 0.432 0.007 10 1 . . . . 25 L HD2 . 16992 1 271 . 1 1 40 40 LEU HG H 1 1.249 0.003 3 1 . . . . 25 L HG . 16992 1 272 . 1 1 40 40 LEU C C 13 175.815 0.003 2 1 . . . . 25 L CO . 16992 1 273 . 1 1 40 40 LEU CA C 13 54.462 0.031 9 1 . . . . 25 L CA . 16992 1 274 . 1 1 40 40 LEU CB C 13 45.271 0.068 10 1 . . . . 25 L CB . 16992 1 275 . 1 1 40 40 LEU CD1 C 13 26.643 0.012 3 1 . . . . 25 L CD1 . 16992 1 276 . 1 1 40 40 LEU CD2 C 13 28.283 0.023 5 1 . . . . 25 L CD2 . 16992 1 277 . 1 1 40 40 LEU N N 15 124.624 0.008 4 1 . . . . 25 L N . 16992 1 278 . 1 1 41 41 HIS H H 1 9.272 0.005 5 1 . . . . 26 H HN . 16992 1 279 . 1 1 41 41 HIS HA H 1 4.884 0.010 5 1 . . . . 26 H HA . 16992 1 280 . 1 1 41 41 HIS HB2 H 1 3.177 0.006 3 1 . . . . 26 H HB . 16992 1 281 . 1 1 41 41 HIS HB3 H 1 3.177 0.006 3 1 . . . . 26 H HB . 16992 1 282 . 1 1 41 41 HIS C C 13 175.448 0.021 2 1 . . . . 26 H CO . 16992 1 283 . 1 1 41 41 HIS CA C 13 56.349 0.032 5 1 . . . . 26 H CA . 16992 1 284 . 1 1 41 41 HIS CB C 13 29.346 0.051 3 1 . . . . 26 H CB . 16992 1 285 . 1 1 41 41 HIS N N 15 126.970 0.035 3 1 . . . . 26 H N . 16992 1 286 . 1 1 42 42 VAL H H 1 7.589 0.006 6 1 . . . . 27 V HN . 16992 1 287 . 1 1 42 42 VAL HA H 1 4.343 0.006 9 1 . . . . 27 V HA . 16992 1 288 . 1 1 42 42 VAL HB H 1 1.581 0.007 7 1 . . . . 27 V HB . 16992 1 289 . 1 1 42 42 VAL HG11 H 1 0.191 0.006 3 1 . . . . 27 V HG1 . 16992 1 290 . 1 1 42 42 VAL HG12 H 1 0.191 0.006 3 1 . . . . 27 V HG1 . 16992 1 291 . 1 1 42 42 VAL HG13 H 1 0.191 0.006 3 1 . . . . 27 V HG1 . 16992 1 292 . 1 1 42 42 VAL HG21 H 1 0.199 0.003 4 1 . . . . 27 V HG2 . 16992 1 293 . 1 1 42 42 VAL HG22 H 1 0.199 0.003 4 1 . . . . 27 V HG2 . 16992 1 294 . 1 1 42 42 VAL HG23 H 1 0.199 0.003 4 1 . . . . 27 V HG2 . 16992 1 295 . 1 1 42 42 VAL C C 13 175.076 0.014 3 1 . . . . 27 V CO . 16992 1 296 . 1 1 42 42 VAL CA C 13 62.721 0.041 7 1 . . . . 27 V CA . 16992 1 297 . 1 1 42 42 VAL CB C 13 35.997 0.046 9 1 . . . . 27 V CB . 16992 1 298 . 1 1 42 42 VAL CG1 C 13 22.433 0.055 4 1 . . . . 27 V CG1 . 16992 1 299 . 1 1 42 42 VAL CG2 C 13 22.407 0.061 4 1 . . . . 27 V CG2 . 16992 1 300 . 1 1 42 42 VAL N N 15 125.002 0.030 4 1 . . . . 27 V N . 16992 1 301 . 1 1 43 43 THR H H 1 8.445 0.007 6 1 . . . . 28 T HN . 16992 1 302 . 1 1 43 43 THR HA H 1 4.563 0.011 8 1 . . . . 28 T HA . 16992 1 303 . 1 1 43 43 THR HB H 1 3.948 0.008 7 1 . . . . 28 T HB . 16992 1 304 . 1 1 43 43 THR HG21 H 1 1.136 0.021 6 1 . . . . 28 T HG2 . 16992 1 305 . 1 1 43 43 THR HG22 H 1 1.136 0.021 6 1 . . . . 28 T HG2 . 16992 1 306 . 1 1 43 43 THR HG23 H 1 1.136 0.021 6 1 . . . . 28 T HG2 . 16992 1 307 . 1 1 43 43 THR C C 13 173.383 0.006 3 1 . . . . 28 T CO . 16992 1 308 . 1 1 43 43 THR CA C 13 62.778 0.042 10 1 . . . . 28 T CA . 16992 1 309 . 1 1 43 43 THR CB C 13 71.866 0.074 5 1 . . . . 28 T CB . 16992 1 310 . 1 1 43 43 THR CG2 C 13 22.920 0.063 3 1 . . . . 28 T CG2 . 16992 1 311 . 1 1 43 43 THR N N 15 122.719 0.006 4 1 . . . . 28 T N . 16992 1 312 . 1 1 44 44 TYR H H 1 9.000 0.009 7 1 . . . . 29 Y HN . 16992 1 313 . 1 1 44 44 TYR HA H 1 4.552 0.005 4 1 . . . . 29 Y HA . 16992 1 314 . 1 1 44 44 TYR HB2 H 1 3.207 0.014 4 1 . . . . 29 Y HB1 . 16992 1 315 . 1 1 44 44 TYR HB3 H 1 2.568 0.019 6 1 . . . . 29 Y HB2 . 16992 1 316 . 1 1 44 44 TYR C C 13 176.035 0.023 3 1 . . . . 29 Y CO . 16992 1 317 . 1 1 44 44 TYR CA C 13 57.923 0.031 9 1 . . . . 29 Y CA . 16992 1 318 . 1 1 44 44 TYR CB C 13 41.393 0.039 7 1 . . . . 29 Y CB . 16992 1 319 . 1 1 44 44 TYR N N 15 123.596 0.006 4 1 . . . . 29 Y N . 16992 1 320 . 1 1 45 45 ALA H H 1 8.423 0.009 7 1 . . . . 30 A HN . 16992 1 321 . 1 1 45 45 ALA HA H 1 4.116 0.009 7 1 . . . . 30 A HA . 16992 1 322 . 1 1 45 45 ALA HB1 H 1 1.362 0.009 7 1 . . . . 30 A HB . 16992 1 323 . 1 1 45 45 ALA HB2 H 1 1.362 0.009 7 1 . . . . 30 A HB . 16992 1 324 . 1 1 45 45 ALA HB3 H 1 1.362 0.009 7 1 . . . . 30 A HB . 16992 1 325 . 1 1 45 45 ALA C C 13 179.051 0.046 3 1 . . . . 30 A CO . 16992 1 326 . 1 1 45 45 ALA CA C 13 55.780 0.063 9 1 . . . . 30 A CA . 16992 1 327 . 1 1 45 45 ALA CB C 13 18.868 0.073 5 1 . . . . 30 A CB . 16992 1 328 . 1 1 45 45 ALA N N 15 124.333 0.018 3 1 . . . . 30 A N . 16992 1 329 . 1 1 46 46 GLY H H 1 8.628 0.005 5 1 . . . . 31 G HN . 16992 1 330 . 1 1 46 46 GLY HA2 H 1 4.288 0.015 7 1 . . . . 31 G HA1 . 16992 1 331 . 1 1 46 46 GLY HA3 H 1 3.696 0.010 7 1 . . . . 31 G HA2 . 16992 1 332 . 1 1 46 46 GLY C C 13 175.001 0.005 3 1 . . . . 31 G CO . 16992 1 333 . 1 1 46 46 GLY CA C 13 46.498 0.040 9 1 . . . . 31 G CA . 16992 1 334 . 1 1 46 46 GLY N N 15 107.156 0.044 3 1 . . . . 31 G N . 16992 1 335 . 1 1 47 47 ALA H H 1 7.302 0.005 9 1 . . . . 32 A HN . 16992 1 336 . 1 1 47 47 ALA HA H 1 4.643 0.009 6 1 . . . . 32 A HA . 16992 1 337 . 1 1 47 47 ALA HB1 H 1 1.234 0.010 7 1 . . . . 32 A HB . 16992 1 338 . 1 1 47 47 ALA HB2 H 1 1.234 0.010 7 1 . . . . 32 A HB . 16992 1 339 . 1 1 47 47 ALA HB3 H 1 1.234 0.010 7 1 . . . . 32 A HB . 16992 1 340 . 1 1 47 47 ALA C C 13 175.728 0.012 3 1 . . . . 32 A CO . 16992 1 341 . 1 1 47 47 ALA CA C 13 52.762 0.043 6 1 . . . . 32 A CA . 16992 1 342 . 1 1 47 47 ALA CB C 13 23.569 0.004 4 1 . . . . 32 A CB . 16992 1 343 . 1 1 47 47 ALA N N 15 120.893 0.009 4 1 . . . . 32 A N . 16992 1 344 . 1 1 48 48 ALA H H 1 8.659 0.007 6 1 . . . . 33 A HN . 16992 1 345 . 1 1 48 48 ALA HA H 1 5.057 0.010 7 1 . . . . 33 A HA . 16992 1 346 . 1 1 48 48 ALA HB1 H 1 1.398 0.009 5 1 . . . . 33 A HB . 16992 1 347 . 1 1 48 48 ALA HB2 H 1 1.398 0.009 5 1 . . . . 33 A HB . 16992 1 348 . 1 1 48 48 ALA HB3 H 1 1.398 0.009 5 1 . . . . 33 A HB . 16992 1 349 . 1 1 48 48 ALA C C 13 177.543 0.038 3 1 . . . . 33 A CO . 16992 1 350 . 1 1 48 48 ALA CA C 13 52.584 0.041 7 1 . . . . 33 A CA . 16992 1 351 . 1 1 48 48 ALA CB C 13 23.540 0.039 3 1 . . . . 33 A CB . 16992 1 352 . 1 1 48 48 ALA N N 15 121.366 0.011 4 1 . . . . 33 A N . 16992 1 353 . 1 1 49 49 VAL H H 1 8.639 0.009 5 1 . . . . 34 V HN . 16992 1 354 . 1 1 49 49 VAL HA H 1 4.203 0.009 9 1 . . . . 34 V HA . 16992 1 355 . 1 1 49 49 VAL HB H 1 2.422 0.012 7 1 . . . . 34 V HB . 16992 1 356 . 1 1 49 49 VAL HG11 H 1 1.356 0.005 7 1 . . . . 34 V HG1 . 16992 1 357 . 1 1 49 49 VAL HG12 H 1 1.356 0.005 7 1 . . . . 34 V HG1 . 16992 1 358 . 1 1 49 49 VAL HG13 H 1 1.356 0.005 7 1 . . . . 34 V HG1 . 16992 1 359 . 1 1 49 49 VAL HG21 H 1 1.176 0.013 6 1 . . . . 34 V HG2 . 16992 1 360 . 1 1 49 49 VAL HG22 H 1 1.176 0.013 6 1 . . . . 34 V HG2 . 16992 1 361 . 1 1 49 49 VAL HG23 H 1 1.176 0.013 6 1 . . . . 34 V HG2 . 16992 1 362 . 1 1 49 49 VAL C C 13 176.509 0.031 3 1 . . . . 34 V CO . 16992 1 363 . 1 1 49 49 VAL CA C 13 63.594 0.051 9 1 . . . . 34 V CA . 16992 1 364 . 1 1 49 49 VAL CB C 13 31.498 0.061 5 1 . . . . 34 V CB . 16992 1 365 . 1 1 49 49 VAL CG1 C 13 25.734 0.082 3 1 . . . . 34 V CG1 . 16992 1 366 . 1 1 49 49 VAL CG2 C 13 23.891 0.019 6 1 . . . . 34 V CG2 . 16992 1 367 . 1 1 49 49 VAL N N 15 119.655 0.013 2 1 . . . . 34 V N . 16992 1 368 . 1 1 50 50 ASP H H 1 8.215 0.006 8 1 . . . . 35 D HN . 16992 1 369 . 1 1 50 50 ASP HA H 1 4.736 0.014 8 1 . . . . 35 D HA . 16992 1 370 . 1 1 50 50 ASP HB2 H 1 3.029 0.012 3 1 . . . . 35 D HB1 . 16992 1 371 . 1 1 50 50 ASP HB3 H 1 2.504 0.028 5 1 . . . . 35 D HB2 . 16992 1 372 . 1 1 50 50 ASP C C 13 175.287 0.054 3 1 . . . . 35 D CO . 16992 1 373 . 1 1 50 50 ASP CA C 13 54.617 0.047 8 1 . . . . 35 D CA . 16992 1 374 . 1 1 50 50 ASP CB C 13 41.637 0.059 3 1 . . . . 35 D CB . 16992 1 375 . 1 1 50 50 ASP N N 15 126.393 0.026 4 1 . . . . 35 D N . 16992 1 376 . 1 1 51 51 GLU H H 1 7.468 0.004 7 1 . . . . 36 E HN . 16992 1 377 . 1 1 51 51 GLU HA H 1 4.535 0.014 6 1 . . . . 36 E HA . 16992 1 378 . 1 1 51 51 GLU HB2 H 1 2.055 0.018 6 1 . . . . 36 E HB . 16992 1 379 . 1 1 51 51 GLU HB3 H 1 2.055 0.018 6 1 . . . . 36 E HB . 16992 1 380 . 1 1 51 51 GLU HG2 H 1 2.298 0.033 4 1 . . . . 36 E HG . 16992 1 381 . 1 1 51 51 GLU HG3 H 1 2.298 0.033 4 1 . . . . 36 E HG . 16992 1 382 . 1 1 51 51 GLU C C 13 176.149 0.022 3 1 . . . . 36 E CO . 16992 1 383 . 1 1 51 51 GLU CA C 13 56.307 0.024 7 1 . . . . 36 E CA . 16992 1 384 . 1 1 51 51 GLU CB C 13 34.052 0.026 3 1 . . . . 36 E CB . 16992 1 385 . 1 1 51 51 GLU N N 15 116.279 0.060 4 1 . . . . 36 E N . 16992 1 386 . 1 1 52 52 LEU H H 1 9.077 0.009 6 1 . . . . 37 L HN . 16992 1 387 . 1 1 52 52 LEU HA H 1 4.290 0.009 7 1 . . . . 37 L HA . 16992 1 388 . 1 1 52 52 LEU HB2 H 1 1.869 0.009 5 1 . . . . 37 L HB1 . 16992 1 389 . 1 1 52 52 LEU HB3 H 1 1.501 0.030 7 1 . . . . 37 L HB2 . 16992 1 390 . 1 1 52 52 LEU HD11 H 1 1.175 0.008 7 1 . . . . 37 L HD1 . 16992 1 391 . 1 1 52 52 LEU HD12 H 1 1.175 0.008 7 1 . . . . 37 L HD1 . 16992 1 392 . 1 1 52 52 LEU HD13 H 1 1.175 0.008 7 1 . . . . 37 L HD1 . 16992 1 393 . 1 1 52 52 LEU HD21 H 1 0.999 0.015 7 1 . . . . 37 L HD2 . 16992 1 394 . 1 1 52 52 LEU HD22 H 1 0.999 0.015 7 1 . . . . 37 L HD2 . 16992 1 395 . 1 1 52 52 LEU HD23 H 1 0.999 0.015 7 1 . . . . 37 L HD2 . 16992 1 396 . 1 1 52 52 LEU HG H 1 1.492 0.005 2 1 . . . . 37 L HG . 16992 1 397 . 1 1 52 52 LEU C C 13 178.943 0.018 3 1 . . . . 37 L CO . 16992 1 398 . 1 1 52 52 LEU CA C 13 58.205 0.035 7 1 . . . . 37 L CA . 16992 1 399 . 1 1 52 52 LEU CB C 13 42.708 0.027 9 1 . . . . 37 L CB . 16992 1 400 . 1 1 52 52 LEU CD1 C 13 26.278 0.063 8 1 . . . . 37 L CD1 . 16992 1 401 . 1 1 52 52 LEU CD2 C 13 27.103 0.031 5 1 . . . . 37 L CD2 . 16992 1 402 . 1 1 52 52 LEU CG C 13 28.144 0.073 5 1 . . . . 37 L CG . 16992 1 403 . 1 1 52 52 LEU N N 15 125.826 0.021 4 1 . . . . 37 L N . 16992 1 404 . 1 1 53 53 GLY H H 1 9.221 0.009 5 1 . . . . 38 G HN . 16992 1 405 . 1 1 53 53 GLY HA2 H 1 4.226 0.003 2 1 . . . . 38 G HA1 . 16992 1 406 . 1 1 53 53 GLY HA3 H 1 3.350 0.008 6 1 . . . . 38 G HA2 . 16992 1 407 . 1 1 53 53 GLY C C 13 174.136 0.012 3 1 . . . . 38 G CO . 16992 1 408 . 1 1 53 53 GLY CA C 13 46.900 0.038 10 1 . . . . 38 G CA . 16992 1 409 . 1 1 53 53 GLY N N 15 115.647 0.011 3 1 . . . . 38 G N . 16992 1 410 . 1 1 54 54 LYS H H 1 7.586 0.007 5 1 . . . . 39 K HN . 16992 1 411 . 1 1 54 54 LYS HA H 1 4.067 0.012 8 1 . . . . 39 K HA . 16992 1 412 . 1 1 54 54 LYS HB2 H 1 2.349 0.012 6 1 . . . . 39 K HB1 . 16992 1 413 . 1 1 54 54 LYS HB3 H 1 2.014 0.019 4 1 . . . . 39 K HB2 . 16992 1 414 . 1 1 54 54 LYS HD2 H 1 2.081 0.013 6 1 . . . . 39 K HD . 16992 1 415 . 1 1 54 54 LYS HD3 H 1 2.081 0.013 6 1 . . . . 39 K HD . 16992 1 416 . 1 1 54 54 LYS HE2 H 1 3.200 0.010 8 1 . . . . 39 K HE . 16992 1 417 . 1 1 54 54 LYS HE3 H 1 3.200 0.010 8 1 . . . . 39 K HE . 16992 1 418 . 1 1 54 54 LYS HG2 H 1 1.644 0.009 3 1 . . . . 39 K HG1 . 16992 1 419 . 1 1 54 54 LYS HG3 H 1 1.610 0.015 5 1 . . . . 39 K HG2 . 16992 1 420 . 1 1 54 54 LYS C C 13 176.056 0.028 3 1 . . . . 39 K CO . 16992 1 421 . 1 1 54 54 LYS CA C 13 58.252 0.026 6 1 . . . . 39 K CA . 16992 1 422 . 1 1 54 54 LYS CB C 13 36.560 0.057 6 1 . . . . 39 K CB . 16992 1 423 . 1 1 54 54 LYS CD C 13 32.016 0.057 3 1 . . . . 39 K CD . 16992 1 424 . 1 1 54 54 LYS CE C 13 43.437 0.070 3 1 . . . . 39 K CE . 16992 1 425 . 1 1 54 54 LYS CG C 13 26.078 0.077 3 1 . . . . 39 K CG . 16992 1 426 . 1 1 54 54 LYS N N 15 122.489 0.007 4 1 . . . . 39 K N . 16992 1 427 . 1 1 55 55 VAL H H 1 8.713 0.006 6 1 . . . . 40 V HN . 16992 1 428 . 1 1 55 55 VAL HA H 1 4.787 0.006 8 1 . . . . 40 V HA . 16992 1 429 . 1 1 55 55 VAL HB H 1 2.057 0.011 6 1 . . . . 40 V HB . 16992 1 430 . 1 1 55 55 VAL HG11 H 1 1.078 0.024 3 1 . . . . 40 V HG1 . 16992 1 431 . 1 1 55 55 VAL HG12 H 1 1.078 0.024 3 1 . . . . 40 V HG1 . 16992 1 432 . 1 1 55 55 VAL HG13 H 1 1.078 0.024 3 1 . . . . 40 V HG1 . 16992 1 433 . 1 1 55 55 VAL HG21 H 1 0.968 0.033 5 1 . . . . 40 V HG2 . 16992 1 434 . 1 1 55 55 VAL HG22 H 1 0.968 0.033 5 1 . . . . 40 V HG2 . 16992 1 435 . 1 1 55 55 VAL HG23 H 1 0.968 0.033 5 1 . . . . 40 V HG2 . 16992 1 436 . 1 1 55 55 VAL C C 13 177.238 0.034 2 1 . . . . 40 V CO . 16992 1 437 . 1 1 55 55 VAL CA C 13 64.305 0.054 10 1 . . . . 40 V CA . 16992 1 438 . 1 1 55 55 VAL CB C 13 32.861 0.051 5 1 . . . . 40 V CB . 16992 1 439 . 1 1 55 55 VAL N N 15 128.650 0.014 4 1 . . . . 40 V N . 16992 1 440 . 1 1 56 56 LEU H H 1 9.176 0.008 6 1 . . . . 41 L HN . 16992 1 441 . 1 1 56 56 LEU HA H 1 4.900 0.011 10 1 . . . . 41 L HA . 16992 1 442 . 1 1 56 56 LEU HB2 H 1 1.218 0.023 6 1 . . . . 41 L HB1 . 16992 1 443 . 1 1 56 56 LEU HB3 H 1 1.198 0.025 6 1 . . . . 41 L HB2 . 16992 1 444 . 1 1 56 56 LEU HD11 H 1 0.738 0.012 9 1 . . . . 41 L HD1 . 16992 1 445 . 1 1 56 56 LEU HD12 H 1 0.738 0.012 9 1 . . . . 41 L HD1 . 16992 1 446 . 1 1 56 56 LEU HD13 H 1 0.738 0.012 9 1 . . . . 41 L HD1 . 16992 1 447 . 1 1 56 56 LEU HD21 H 1 0.180 0.004 8 1 . . . . 41 L HD2 . 16992 1 448 . 1 1 56 56 LEU HD22 H 1 0.180 0.004 8 1 . . . . 41 L HD2 . 16992 1 449 . 1 1 56 56 LEU HD23 H 1 0.180 0.004 8 1 . . . . 41 L HD2 . 16992 1 450 . 1 1 56 56 LEU HG H 1 1.542 0.007 10 1 . . . . 41 L HG . 16992 1 451 . 1 1 56 56 LEU C C 13 177.452 0.031 3 1 . . . . 41 L CO . 16992 1 452 . 1 1 56 56 LEU CA C 13 54.086 0.040 8 1 . . . . 41 L CA . 16992 1 453 . 1 1 56 56 LEU CB C 13 47.129 0.047 10 1 . . . . 41 L CB . 16992 1 454 . 1 1 56 56 LEU CD1 C 13 25.240 0.052 6 1 . . . . 41 L CD1 . 16992 1 455 . 1 1 56 56 LEU CD2 C 13 27.079 0.043 5 1 . . . . 41 L CD2 . 16992 1 456 . 1 1 56 56 LEU CG C 13 28.906 0.032 7 1 . . . . 41 L CG . 16992 1 457 . 1 1 56 56 LEU N N 15 130.545 0.019 4 1 . . . . 41 L N . 16992 1 458 . 1 1 57 57 THR H H 1 8.582 0.006 6 1 . . . . 42 T HN . 16992 1 459 . 1 1 57 57 THR HA H 1 4.961 0.007 6 1 . . . . 42 T HA . 16992 1 460 . 1 1 57 57 THR HB H 1 4.760 0.005 5 1 . . . . 42 T HB . 16992 1 461 . 1 1 57 57 THR HG21 H 1 1.207 0.022 4 1 . . . . 42 T HG2 . 16992 1 462 . 1 1 57 57 THR HG22 H 1 1.207 0.022 4 1 . . . . 42 T HG2 . 16992 1 463 . 1 1 57 57 THR HG23 H 1 1.207 0.022 4 1 . . . . 42 T HG2 . 16992 1 464 . 1 1 57 57 THR C C 13 175.648 0.000 1 1 . . . . 42 T CO . 16992 1 465 . 1 1 57 57 THR CA C 13 59.628 0.058 9 1 . . . . 42 T CA . 16992 1 466 . 1 1 57 57 THR CB C 13 69.927 0.062 6 1 . . . . 42 T CB . 16992 1 467 . 1 1 57 57 THR CG2 C 13 22.855 0.070 4 1 . . . . 42 T CG2 . 16992 1 468 . 1 1 57 57 THR N N 15 110.772 0.052 4 1 . . . . 42 T N . 16992 1 469 . 1 1 58 58 PRO HA H 1 3.773 0.007 2 1 . . . . 43 P HA . 16992 1 470 . 1 1 58 58 PRO HB2 H 1 2.374 0.008 2 1 . . . . 43 P HB . 16992 1 471 . 1 1 58 58 PRO HB3 H 1 2.374 0.008 2 1 . . . . 43 P HB . 16992 1 472 . 1 1 58 58 PRO C C 13 180.671 0.056 2 1 . . . . 43 P CO . 16992 1 473 . 1 1 58 58 PRO CA C 13 66.441 0.053 4 1 . . . . 43 P CA . 16992 1 474 . 1 1 58 58 PRO CB C 13 30.827 0.032 2 1 . . . . 43 P CB . 16992 1 475 . 1 1 59 59 THR H H 1 8.616 0.013 6 1 . . . . 44 T HN . 16992 1 476 . 1 1 59 59 THR HA H 1 3.849 0.005 6 1 . . . . 44 T HA . 16992 1 477 . 1 1 59 59 THR HB H 1 3.133 0.011 5 1 . . . . 44 T HB . 16992 1 478 . 1 1 59 59 THR HG21 H 1 0.927 0.018 7 1 . . . . 44 T HG2 . 16992 1 479 . 1 1 59 59 THR HG22 H 1 0.927 0.018 7 1 . . . . 44 T HG2 . 16992 1 480 . 1 1 59 59 THR HG23 H 1 0.927 0.018 7 1 . . . . 44 T HG2 . 16992 1 481 . 1 1 59 59 THR C C 13 177.465 0.000 2 1 . . . . 44 T CO . 16992 1 482 . 1 1 59 59 THR CA C 13 69.516 0.065 10 1 . . . . 44 T CA . 16992 1 483 . 1 1 59 59 THR CG2 C 13 21.696 0.060 5 1 . . . . 44 T CG2 . 16992 1 484 . 1 1 59 59 THR N N 15 115.852 0.028 3 1 . . . . 44 T N . 16992 1 485 . 1 1 60 60 GLN H H 1 7.668 0.004 8 1 . . . . 45 Q HN . 16992 1 486 . 1 1 60 60 GLN HA H 1 3.747 0.013 9 1 . . . . 45 Q HA . 16992 1 487 . 1 1 60 60 GLN HB2 H 1 2.315 0.057 5 1 . . . . 45 Q HB1 . 16992 1 488 . 1 1 60 60 GLN HB3 H 1 1.337 0.016 4 1 . . . . 45 Q HB2 . 16992 1 489 . 1 1 60 60 GLN HG2 H 1 2.381 0.028 4 1 . . . . 45 Q HG1 . 16992 1 490 . 1 1 60 60 GLN HG3 H 1 2.213 0.008 2 1 . . . . 45 Q HG2 . 16992 1 491 . 1 1 60 60 GLN C C 13 179.438 0.056 3 1 . . . . 45 Q CO . 16992 1 492 . 1 1 60 60 GLN CA C 13 59.772 0.078 9 1 . . . . 45 Q CA . 16992 1 493 . 1 1 60 60 GLN CB C 13 30.412 0.042 3 1 . . . . 45 Q CB . 16992 1 494 . 1 1 60 60 GLN CG C 13 36.355 0.027 7 1 . . . . 45 Q CG . 16992 1 495 . 1 1 60 60 GLN N N 15 119.821 0.011 4 1 . . . . 45 Q N . 16992 1 496 . 1 1 61 61 VAL H H 1 6.853 0.006 7 1 . . . . 46 V HN . 16992 1 497 . 1 1 61 61 VAL HA H 1 4.026 0.007 9 1 . . . . 46 V HA . 16992 1 498 . 1 1 61 61 VAL HB H 1 2.031 0.008 8 1 . . . . 46 V HB . 16992 1 499 . 1 1 61 61 VAL HG11 H 1 -0.794 0.002 5 1 . . . . 46 V HG1 . 16992 1 500 . 1 1 61 61 VAL HG12 H 1 -0.794 0.002 5 1 . . . . 46 V HG1 . 16992 1 501 . 1 1 61 61 VAL HG13 H 1 -0.794 0.002 5 1 . . . . 46 V HG1 . 16992 1 502 . 1 1 61 61 VAL HG21 H 1 0.599 0.016 9 1 . . . . 46 V HG2 . 16992 1 503 . 1 1 61 61 VAL HG22 H 1 0.599 0.016 9 1 . . . . 46 V HG2 . 16992 1 504 . 1 1 61 61 VAL HG23 H 1 0.599 0.016 9 1 . . . . 46 V HG2 . 16992 1 505 . 1 1 61 61 VAL C C 13 176.125 0.029 3 1 . . . . 46 V CO . 16992 1 506 . 1 1 61 61 VAL CA C 13 60.375 0.065 8 1 . . . . 46 V CA . 16992 1 507 . 1 1 61 61 VAL CB C 13 31.233 0.046 7 1 . . . . 46 V CB . 16992 1 508 . 1 1 61 61 VAL CG1 C 13 21.143 0.050 7 1 . . . . 46 V CG1 . 16992 1 509 . 1 1 61 61 VAL CG2 C 13 19.177 0.064 8 1 . . . . 46 V CG2 . 16992 1 510 . 1 1 61 61 VAL N N 15 109.141 0.007 3 1 . . . . 46 V N . 16992 1 511 . 1 1 62 62 LYS H H 1 6.585 0.001 8 1 . . . . 47 K HN . 16992 1 512 . 1 1 62 62 LYS HA H 1 4.141 0.007 10 1 . . . . 47 K HA . 16992 1 513 . 1 1 62 62 LYS HB2 H 1 1.359 0.004 3 1 . . . . 47 K HB1 . 16992 1 514 . 1 1 62 62 LYS HB3 H 1 0.952 0.007 8 1 . . . . 47 K HB2 . 16992 1 515 . 1 1 62 62 LYS HD2 H 1 1.096 0.003 2 1 . . . . 47 K HD1 . 16992 1 516 . 1 1 62 62 LYS HD3 H 1 1.085 0.028 5 1 . . . . 47 K HD2 . 16992 1 517 . 1 1 62 62 LYS HE2 H 1 2.694 0.014 7 1 . . . . 47 K HE1 . 16992 1 518 . 1 1 62 62 LYS HE3 H 1 2.525 0.017 7 1 . . . . 47 K HE2 . 16992 1 519 . 1 1 62 62 LYS HG2 H 1 1.157 0.041 4 1 . . . . 47 K HG1 . 16992 1 520 . 1 1 62 62 LYS HG3 H 1 0.961 0.025 3 1 . . . . 47 K HG2 . 16992 1 521 . 1 1 62 62 LYS C C 13 176.918 0.031 3 1 . . . . 47 K CO . 16992 1 522 . 1 1 62 62 LYS CA C 13 59.486 0.039 10 1 . . . . 47 K CA . 16992 1 523 . 1 1 62 62 LYS CB C 13 32.619 0.043 15 1 . . . . 47 K CB . 16992 1 524 . 1 1 62 62 LYS CD C 13 30.537 0.019 10 1 . . . . 47 K CD . 16992 1 525 . 1 1 62 62 LYS CE C 13 42.554 0.068 14 1 . . . . 47 K CE . 16992 1 526 . 1 1 62 62 LYS CG C 13 23.474 0.053 9 1 . . . . 47 K CG . 16992 1 527 . 1 1 62 62 LYS N N 15 120.718 0.008 4 1 . . . . 47 K N . 16992 1 528 . 1 1 63 63 ASN H H 1 8.101 0.006 7 1 . . . . 48 N HN . 16992 1 529 . 1 1 63 63 ASN HA H 1 5.053 0.008 10 1 . . . . 48 N HA . 16992 1 530 . 1 1 63 63 ASN HB2 H 1 2.772 0.010 7 1 . . . . 48 N HB1 . 16992 1 531 . 1 1 63 63 ASN HB3 H 1 2.470 0.013 8 1 . . . . 48 N HB2 . 16992 1 532 . 1 1 63 63 ASN C C 13 173.451 0.028 3 1 . . . . 48 N CO . 16992 1 533 . 1 1 63 63 ASN CA C 13 52.110 0.033 13 1 . . . . 48 N CA . 16992 1 534 . 1 1 63 63 ASN CB C 13 42.765 0.065 8 1 . . . . 48 N CB . 16992 1 535 . 1 1 63 63 ASN N N 15 119.268 0.020 4 1 . . . . 48 N N . 16992 1 536 . 1 1 64 64 ARG H H 1 7.563 0.009 6 1 . . . . 49 R HN . 16992 1 537 . 1 1 64 64 ARG CA C 13 55.349 0.021 2 1 . . . . 49 R CA . 16992 1 538 . 1 1 64 64 ARG N N 15 114.587 0.022 4 1 . . . . 49 R N . 16992 1 539 . 1 1 65 65 PRO HA H 1 3.847 0.011 7 1 . . . . 50 P HA . 16992 1 540 . 1 1 65 65 PRO HB2 H 1 1.215 0.024 7 1 . . . . 50 P HB1 . 16992 1 541 . 1 1 65 65 PRO HB3 H 1 1.150 0.019 6 1 . . . . 50 P HB2 . 16992 1 542 . 1 1 65 65 PRO HD2 H 1 3.507 0.021 6 1 . . . . 50 P HD1 . 16992 1 543 . 1 1 65 65 PRO HD3 H 1 3.060 0.012 4 1 . . . . 50 P HD2 . 16992 1 544 . 1 1 65 65 PRO HG2 H 1 1.332 0.005 7 1 . . . . 50 P HG . 16992 1 545 . 1 1 65 65 PRO HG3 H 1 1.332 0.005 7 1 . . . . 50 P HG . 16992 1 546 . 1 1 65 65 PRO C C 13 176.599 0.007 2 1 . . . . 50 P CO . 16992 1 547 . 1 1 65 65 PRO CA C 13 64.599 0.062 6 1 . . . . 50 P CA . 16992 1 548 . 1 1 65 65 PRO CB C 13 32.946 0.067 6 1 . . . . 50 P CB . 16992 1 549 . 1 1 65 65 PRO CD C 13 51.139 0.027 5 1 . . . . 50 P CD . 16992 1 550 . 1 1 65 65 PRO CG C 13 28.602 0.065 5 1 . . . . 50 P CG . 16992 1 551 . 1 1 66 66 THR H H 1 8.681 0.013 7 1 . . . . 51 T HN . 16992 1 552 . 1 1 66 66 THR HA H 1 3.944 0.014 8 1 . . . . 51 T HA . 16992 1 553 . 1 1 66 66 THR HB H 1 4.071 0.000 2 1 . . . . 51 T HB . 16992 1 554 . 1 1 66 66 THR HG21 H 1 1.096 0.009 6 1 . . . . 51 T HG2 . 16992 1 555 . 1 1 66 66 THR HG22 H 1 1.096 0.009 6 1 . . . . 51 T HG2 . 16992 1 556 . 1 1 66 66 THR HG23 H 1 1.096 0.009 6 1 . . . . 51 T HG2 . 16992 1 557 . 1 1 66 66 THR C C 13 177.407 0.038 3 1 . . . . 51 T CO . 16992 1 558 . 1 1 66 66 THR CA C 13 63.399 0.054 12 1 . . . . 51 T CA . 16992 1 559 . 1 1 66 66 THR CB C 13 69.865 0.061 4 1 . . . . 51 T CB . 16992 1 560 . 1 1 66 66 THR CG2 C 13 23.691 0.020 7 1 . . . . 51 T CG2 . 16992 1 561 . 1 1 66 66 THR N N 15 113.117 0.006 3 1 . . . . 51 T N . 16992 1 562 . 1 1 67 67 SER H H 1 7.296 0.005 7 1 . . . . 52 S HN . 16992 1 563 . 1 1 67 67 SER HA H 1 4.533 0.012 8 1 . . . . 52 S HA . 16992 1 564 . 1 1 67 67 SER HB2 H 1 3.623 0.012 9 1 . . . . 52 S HB . 16992 1 565 . 1 1 67 67 SER HB3 H 1 3.623 0.012 9 1 . . . . 52 S HB . 16992 1 566 . 1 1 67 67 SER C C 13 173.471 0.008 3 1 . . . . 52 S CO . 16992 1 567 . 1 1 67 67 SER CA C 13 59.377 0.055 8 1 . . . . 52 S CA . 16992 1 568 . 1 1 67 67 SER CB C 13 66.145 0.060 8 1 . . . . 52 S CB . 16992 1 569 . 1 1 67 67 SER N N 15 113.979 0.014 4 1 . . . . 52 S N . 16992 1 570 . 1 1 68 68 ILE H H 1 8.394 0.012 6 1 . . . . 53 I HN . 16992 1 571 . 1 1 68 68 ILE HA H 1 5.289 0.005 13 1 . . . . 53 I HA . 16992 1 572 . 1 1 68 68 ILE HB H 1 1.725 0.012 8 1 . . . . 53 I HB . 16992 1 573 . 1 1 68 68 ILE HD11 H 1 0.722 0.017 9 1 . . . . 53 I HD1 . 16992 1 574 . 1 1 68 68 ILE HD12 H 1 0.722 0.017 9 1 . . . . 53 I HD1 . 16992 1 575 . 1 1 68 68 ILE HD13 H 1 0.722 0.017 9 1 . . . . 53 I HD1 . 16992 1 576 . 1 1 68 68 ILE HG12 H 1 1.632 0.013 8 1 . . . . 53 I HG11 . 16992 1 577 . 1 1 68 68 ILE HG13 H 1 1.049 0.010 7 1 . . . . 53 I HG12 . 16992 1 578 . 1 1 68 68 ILE HG21 H 1 0.511 0.005 14 1 . . . . 53 I HG2 . 16992 1 579 . 1 1 68 68 ILE HG22 H 1 0.511 0.005 14 1 . . . . 53 I HG2 . 16992 1 580 . 1 1 68 68 ILE HG23 H 1 0.511 0.005 14 1 . . . . 53 I HG2 . 16992 1 581 . 1 1 68 68 ILE C C 13 175.641 0.034 3 1 . . . . 53 I CO . 16992 1 582 . 1 1 68 68 ILE CA C 13 60.413 0.061 9 1 . . . . 53 I CA . 16992 1 583 . 1 1 68 68 ILE CB C 13 43.111 0.068 8 1 . . . . 53 I CB . 16992 1 584 . 1 1 68 68 ILE CD1 C 13 15.961 0.057 11 1 . . . . 53 I CD1 . 16992 1 585 . 1 1 68 68 ILE CG1 C 13 26.845 0.046 10 1 . . . . 53 I CG1 . 16992 1 586 . 1 1 68 68 ILE CG2 C 13 19.245 0.035 10 1 . . . . 53 I CG2 . 16992 1 587 . 1 1 68 68 ILE N N 15 117.313 0.007 4 1 . . . . 53 I N . 16992 1 588 . 1 1 69 69 SER H H 1 8.582 0.006 6 1 . . . . 54 S HN . 16992 1 589 . 1 1 69 69 SER HA H 1 4.115 0.005 8 1 . . . . 54 S HA . 16992 1 590 . 1 1 69 69 SER HB2 H 1 3.609 0.015 11 1 . . . . 54 S HB . 16992 1 591 . 1 1 69 69 SER HB3 H 1 3.609 0.015 11 1 . . . . 54 S HB . 16992 1 592 . 1 1 69 69 SER C C 13 172.627 0.021 3 1 . . . . 54 S CO . 16992 1 593 . 1 1 69 69 SER CA C 13 60.270 0.042 10 1 . . . . 54 S CA . 16992 1 594 . 1 1 69 69 SER CB C 13 65.134 0.049 8 1 . . . . 54 S CB . 16992 1 595 . 1 1 69 69 SER N N 15 112.691 0.009 4 1 . . . . 54 S N . 16992 1 596 . 1 1 70 70 TRP H H 1 6.595 0.008 7 1 . . . . 55 W HN . 16992 1 597 . 1 1 70 70 TRP HA H 1 4.889 0.008 9 1 . . . . 55 W HA . 16992 1 598 . 1 1 70 70 TRP HB2 H 1 3.352 0.011 6 1 . . . . 55 W HB1 . 16992 1 599 . 1 1 70 70 TRP HB3 H 1 2.752 0.013 6 1 . . . . 55 W HB2 . 16992 1 600 . 1 1 70 70 TRP C C 13 175.023 0.018 3 1 . . . . 55 W CO . 16992 1 601 . 1 1 70 70 TRP CA C 13 57.946 0.025 10 1 . . . . 55 W CA . 16992 1 602 . 1 1 70 70 TRP CB C 13 34.196 0.036 8 1 . . . . 55 W CB . 16992 1 603 . 1 1 70 70 TRP N N 15 119.815 0.009 4 1 . . . . 55 W N . 16992 1 604 . 1 1 71 71 ASP H H 1 9.417 0.007 6 1 . . . . 56 D HN . 16992 1 605 . 1 1 71 71 ASP HA H 1 4.191 0.014 6 1 . . . . 56 D HA . 16992 1 606 . 1 1 71 71 ASP HB2 H 1 2.418 0.011 6 1 . . . . 56 D HB1 . 16992 1 607 . 1 1 71 71 ASP HB3 H 1 2.225 0.014 5 1 . . . . 56 D HB2 . 16992 1 608 . 1 1 71 71 ASP C C 13 176.160 0.026 2 1 . . . . 56 D CO . 16992 1 609 . 1 1 71 71 ASP CA C 13 56.115 0.037 9 1 . . . . 56 D CA . 16992 1 610 . 1 1 71 71 ASP CB C 13 41.483 0.070 6 1 . . . . 56 D CB . 16992 1 611 . 1 1 71 71 ASP N N 15 124.514 0.014 4 1 . . . . 56 D N . 16992 1 612 . 1 1 72 72 GLY H H 1 8.251 0.008 6 1 . . . . 57 G HN . 16992 1 613 . 1 1 72 72 GLY HA2 H 1 3.954 0.012 6 1 . . . . 57 G HA1 . 16992 1 614 . 1 1 72 72 GLY HA3 H 1 3.443 0.013 8 1 . . . . 57 G HA2 . 16992 1 615 . 1 1 72 72 GLY C C 13 176.355 0.044 3 1 . . . . 57 G CO . 16992 1 616 . 1 1 72 72 GLY CA C 13 45.759 0.042 10 1 . . . . 57 G CA . 16992 1 617 . 1 1 72 72 GLY N N 15 108.644 0.018 3 1 . . . . 57 G N . 16992 1 618 . 1 1 73 73 LEU H H 1 6.440 0.003 8 1 . . . . 58 L HN . 16992 1 619 . 1 1 73 73 LEU HA H 1 3.303 0.010 15 1 . . . . 58 L HA . 16992 1 620 . 1 1 73 73 LEU HB2 H 1 0.505 0.011 12 1 . . . . 58 L HB1 . 16992 1 621 . 1 1 73 73 LEU HB3 H 1 -0.118 0.016 11 1 . . . . 58 L HB2 . 16992 1 622 . 1 1 73 73 LEU HD11 H 1 0.820 0.005 9 1 . . . . 58 L HD1 . 16992 1 623 . 1 1 73 73 LEU HD12 H 1 0.820 0.005 9 1 . . . . 58 L HD1 . 16992 1 624 . 1 1 73 73 LEU HD13 H 1 0.820 0.005 9 1 . . . . 58 L HD1 . 16992 1 625 . 1 1 73 73 LEU HD21 H 1 0.176 0.009 11 1 . . . . 58 L HD2 . 16992 1 626 . 1 1 73 73 LEU HD22 H 1 0.176 0.009 11 1 . . . . 58 L HD2 . 16992 1 627 . 1 1 73 73 LEU HD23 H 1 0.176 0.009 11 1 . . . . 58 L HD2 . 16992 1 628 . 1 1 73 73 LEU C C 13 175.568 0.019 3 1 . . . . 58 L CO . 16992 1 629 . 1 1 73 73 LEU CA C 13 57.889 0.038 11 1 . . . . 58 L CA . 16992 1 630 . 1 1 73 73 LEU CB C 13 42.628 0.050 11 1 . . . . 58 L CB . 16992 1 631 . 1 1 73 73 LEU CD1 C 13 26.954 0.011 3 1 . . . . 58 L CD1 . 16992 1 632 . 1 1 73 73 LEU CD2 C 13 26.906 0.044 4 1 . . . . 58 L CD2 . 16992 1 633 . 1 1 73 73 LEU CG C 13 25.712 0.047 5 1 . . . . 58 L CG . 16992 1 634 . 1 1 73 73 LEU N N 15 124.023 0.005 4 1 . . . . 58 L N . 16992 1 635 . 1 1 74 74 ASP H H 1 7.929 0.006 8 1 . . . . 59 D HN . 16992 1 636 . 1 1 74 74 ASP HA H 1 4.923 0.015 7 1 . . . . 59 D HA . 16992 1 637 . 1 1 74 74 ASP HB2 H 1 3.031 0.007 3 1 . . . . 59 D HB1 . 16992 1 638 . 1 1 74 74 ASP HB3 H 1 2.481 0.016 5 1 . . . . 59 D HB2 . 16992 1 639 . 1 1 74 74 ASP C C 13 177.697 0.039 3 1 . . . . 59 D CO . 16992 1 640 . 1 1 74 74 ASP CA C 13 53.277 0.041 11 1 . . . . 59 D CA . 16992 1 641 . 1 1 74 74 ASP CB C 13 44.037 0.017 3 1 . . . . 59 D CB . 16992 1 642 . 1 1 74 74 ASP N N 15 127.821 0.048 4 1 . . . . 59 D N . 16992 1 643 . 1 1 75 75 SER H H 1 8.834 0.007 6 1 . . . . 60 S HN . 16992 1 644 . 1 1 75 75 SER HA H 1 4.071 0.009 6 1 . . . . 60 S HA . 16992 1 645 . 1 1 75 75 SER HB2 H 1 3.874 0.033 4 1 . . . . 60 S HB . 16992 1 646 . 1 1 75 75 SER HB3 H 1 3.874 0.033 4 1 . . . . 60 S HB . 16992 1 647 . 1 1 75 75 SER CA C 13 62.110 0.043 9 1 . . . . 60 S CA . 16992 1 648 . 1 1 75 75 SER CB C 13 63.837 0.005 2 1 . . . . 60 S CB . 16992 1 649 . 1 1 75 75 SER N N 15 122.487 0.007 3 1 . . . . 60 S N . 16992 1 650 . 1 1 76 76 GLY H H 1 9.125 0.007 6 1 . . . . 61 G HN . 16992 1 651 . 1 1 76 76 GLY HA2 H 1 4.305 0.013 7 1 . . . . 61 G HA1 . 16992 1 652 . 1 1 76 76 GLY HA3 H 1 3.624 0.013 8 1 . . . . 61 G HA2 . 16992 1 653 . 1 1 76 76 GLY C C 13 175.439 0.005 2 1 . . . . 61 G CO . 16992 1 654 . 1 1 76 76 GLY CA C 13 45.967 0.044 10 1 . . . . 61 G CA . 16992 1 655 . 1 1 76 76 GLY N N 15 109.496 0.003 3 1 . . . . 61 G N . 16992 1 656 . 1 1 77 77 LYS H H 1 7.594 0.007 9 1 . . . . 62 K HN . 16992 1 657 . 1 1 77 77 LYS HA H 1 4.411 0.015 8 1 . . . . 62 K HA . 16992 1 658 . 1 1 77 77 LYS HB2 H 1 2.058 0.022 6 1 . . . . 62 K HB1 . 16992 1 659 . 1 1 77 77 LYS HB3 H 1 1.562 0.035 5 1 . . . . 62 K HB2 . 16992 1 660 . 1 1 77 77 LYS HD2 H 1 1.667 0.031 5 1 . . . . 62 K HD . 16992 1 661 . 1 1 77 77 LYS HD3 H 1 1.667 0.031 5 1 . . . . 62 K HD . 16992 1 662 . 1 1 77 77 LYS HE2 H 1 2.984 0.027 6 1 . . . . 62 K HE . 16992 1 663 . 1 1 77 77 LYS HE3 H 1 2.984 0.027 6 1 . . . . 62 K HE . 16992 1 664 . 1 1 77 77 LYS HG2 H 1 1.349 0.023 5 1 . . . . 62 K HG1 . 16992 1 665 . 1 1 77 77 LYS HG3 H 1 1.310 0.034 3 1 . . . . 62 K HG2 . 16992 1 666 . 1 1 77 77 LYS C C 13 175.116 0.018 3 1 . . . . 62 K CO . 16992 1 667 . 1 1 77 77 LYS CA C 13 56.274 0.084 7 1 . . . . 62 K CA . 16992 1 668 . 1 1 77 77 LYS CB C 13 36.492 0.055 7 1 . . . . 62 K CB . 16992 1 669 . 1 1 77 77 LYS CD C 13 30.547 0.056 7 1 . . . . 62 K CD . 16992 1 670 . 1 1 77 77 LYS CE C 13 43.279 0.028 4 1 . . . . 62 K CE . 16992 1 671 . 1 1 77 77 LYS CG C 13 27.530 0.076 7 1 . . . . 62 K CG . 16992 1 672 . 1 1 77 77 LYS N N 15 122.496 0.006 4 1 . . . . 62 K N . 16992 1 673 . 1 1 78 78 LEU H H 1 8.145 0.002 4 1 . . . . 63 L HN . 16992 1 674 . 1 1 78 78 LEU HA H 1 5.391 0.011 10 1 . . . . 63 L HA . 16992 1 675 . 1 1 78 78 LEU HB2 H 1 1.493 0.024 10 1 . . . . 63 L HB1 . 16992 1 676 . 1 1 78 78 LEU HB3 H 1 0.893 0.011 6 1 . . . . 63 L HB2 . 16992 1 677 . 1 1 78 78 LEU HD11 H 1 0.579 0.017 4 1 . . . . 63 L HD1 . 16992 1 678 . 1 1 78 78 LEU HD12 H 1 0.579 0.017 4 1 . . . . 63 L HD1 . 16992 1 679 . 1 1 78 78 LEU HD13 H 1 0.579 0.017 4 1 . . . . 63 L HD1 . 16992 1 680 . 1 1 78 78 LEU HD21 H 1 0.581 0.019 7 1 . . . . 63 L HD2 . 16992 1 681 . 1 1 78 78 LEU HD22 H 1 0.581 0.019 7 1 . . . . 63 L HD2 . 16992 1 682 . 1 1 78 78 LEU HD23 H 1 0.581 0.019 7 1 . . . . 63 L HD2 . 16992 1 683 . 1 1 78 78 LEU HG H 1 0.618 0.002 6 1 . . . . 63 L HG . 16992 1 684 . 1 1 78 78 LEU C C 13 176.931 0.047 3 1 . . . . 63 L CO . 16992 1 685 . 1 1 78 78 LEU CA C 13 53.438 0.029 10 1 . . . . 63 L CA . 16992 1 686 . 1 1 78 78 LEU CB C 13 46.944 0.038 11 1 . . . . 63 L CB . 16992 1 687 . 1 1 78 78 LEU CD1 C 13 24.288 0.054 4 1 . . . . 63 L CD1 . 16992 1 688 . 1 1 78 78 LEU CD2 C 13 24.305 0.044 5 1 . . . . 63 L CD2 . 16992 1 689 . 1 1 78 78 LEU CG C 13 27.145 0.076 7 1 . . . . 63 L CG . 16992 1 690 . 1 1 78 78 LEU N N 15 119.884 0.014 4 1 . . . . 63 L N . 16992 1 691 . 1 1 79 79 TYR H H 1 9.479 0.008 5 1 . . . . 64 Y HN . 16992 1 692 . 1 1 79 79 TYR HA H 1 5.440 0.011 10 1 . . . . 64 Y HA . 16992 1 693 . 1 1 79 79 TYR HB2 H 1 2.903 0.002 5 1 . . . . 64 Y HB1 . 16992 1 694 . 1 1 79 79 TYR HB3 H 1 2.624 0.010 6 1 . . . . 64 Y HB2 . 16992 1 695 . 1 1 79 79 TYR C C 13 175.867 0.015 3 1 . . . . 64 Y CO . 16992 1 696 . 1 1 79 79 TYR CA C 13 58.481 0.064 12 1 . . . . 64 Y CA . 16992 1 697 . 1 1 79 79 TYR CB C 13 44.621 0.052 7 1 . . . . 64 Y CB . 16992 1 698 . 1 1 79 79 TYR N N 15 117.662 0.008 3 1 . . . . 64 Y N . 16992 1 699 . 1 1 80 80 THR H H 1 9.365 0.011 5 1 . . . . 65 T HN . 16992 1 700 . 1 1 80 80 THR HA H 1 5.368 0.011 5 1 . . . . 65 T HA . 16992 1 701 . 1 1 80 80 THR HB H 1 4.095 0.010 5 1 . . . . 65 T HB . 16992 1 702 . 1 1 80 80 THR HG21 H 1 1.271 0.004 4 1 . . . . 65 T HG2 . 16992 1 703 . 1 1 80 80 THR HG22 H 1 1.271 0.004 4 1 . . . . 65 T HG2 . 16992 1 704 . 1 1 80 80 THR HG23 H 1 1.271 0.004 4 1 . . . . 65 T HG2 . 16992 1 705 . 1 1 80 80 THR C C 13 173.653 0.025 2 1 . . . . 65 T CO . 16992 1 706 . 1 1 80 80 THR CA C 13 63.557 0.047 10 1 . . . . 65 T CA . 16992 1 707 . 1 1 80 80 THR CB C 13 73.912 0.041 3 1 . . . . 65 T CB . 16992 1 708 . 1 1 80 80 THR CG2 C 13 22.239 0.041 4 1 . . . . 65 T CG2 . 16992 1 709 . 1 1 80 80 THR N N 15 118.755 0.012 3 1 . . . . 65 T N . 16992 1 710 . 1 1 81 81 LEU H H 1 9.569 0.007 7 1 . . . . 66 L HN . 16992 1 711 . 1 1 81 81 LEU HA H 1 5.476 0.010 8 1 . . . . 66 L HA . 16992 1 712 . 1 1 81 81 LEU HB2 H 1 1.843 0.041 5 1 . . . . 66 L HB1 . 16992 1 713 . 1 1 81 81 LEU HB3 H 1 1.222 0.009 4 1 . . . . 66 L HB2 . 16992 1 714 . 1 1 81 81 LEU HD11 H 1 1.053 0.002 3 1 . . . . 66 L HD1 . 16992 1 715 . 1 1 81 81 LEU HD12 H 1 1.053 0.002 3 1 . . . . 66 L HD1 . 16992 1 716 . 1 1 81 81 LEU HD13 H 1 1.053 0.002 3 1 . . . . 66 L HD1 . 16992 1 717 . 1 1 81 81 LEU HD21 H 1 1.054 0.001 2 1 . . . . 66 L HD2 . 16992 1 718 . 1 1 81 81 LEU HD22 H 1 1.054 0.001 2 1 . . . . 66 L HD2 . 16992 1 719 . 1 1 81 81 LEU HD23 H 1 1.054 0.001 2 1 . . . . 66 L HD2 . 16992 1 720 . 1 1 81 81 LEU HG H 1 0.970 0.015 8 1 . . . . 66 L HG . 16992 1 721 . 1 1 81 81 LEU C C 13 175.481 0.006 2 1 . . . . 66 L CO . 16992 1 722 . 1 1 81 81 LEU CA C 13 54.597 0.057 10 1 . . . . 66 L CA . 16992 1 723 . 1 1 81 81 LEU CB C 13 48.799 0.058 8 1 . . . . 66 L CB . 16992 1 724 . 1 1 81 81 LEU CD1 C 13 25.789 0.024 2 1 . . . . 66 L CD1 . 16992 1 725 . 1 1 81 81 LEU CD2 C 13 25.749 0.033 5 1 . . . . 66 L CD2 . 16992 1 726 . 1 1 81 81 LEU CG C 13 28.455 0.056 8 1 . . . . 66 L CG . 16992 1 727 . 1 1 81 81 LEU N N 15 130.521 0.014 4 1 . . . . 66 L N . 16992 1 728 . 1 1 82 82 VAL H H 1 9.446 0.009 6 1 . . . . 67 V HN . 16992 1 729 . 1 1 82 82 VAL HA H 1 5.242 0.012 8 1 . . . . 67 V HA . 16992 1 730 . 1 1 82 82 VAL HB H 1 2.193 0.010 6 1 . . . . 67 V HB . 16992 1 731 . 1 1 82 82 VAL HG11 H 1 1.233 0.002 3 1 . . . . 67 V HG1 . 16992 1 732 . 1 1 82 82 VAL HG12 H 1 1.233 0.002 3 1 . . . . 67 V HG1 . 16992 1 733 . 1 1 82 82 VAL HG13 H 1 1.233 0.002 3 1 . . . . 67 V HG1 . 16992 1 734 . 1 1 82 82 VAL HG21 H 1 1.166 0.027 3 1 . . . . 67 V HG2 . 16992 1 735 . 1 1 82 82 VAL HG22 H 1 1.166 0.027 3 1 . . . . 67 V HG2 . 16992 1 736 . 1 1 82 82 VAL HG23 H 1 1.166 0.027 3 1 . . . . 67 V HG2 . 16992 1 737 . 1 1 82 82 VAL C C 13 174.992 0.017 3 1 . . . . 67 V CO . 16992 1 738 . 1 1 82 82 VAL CA C 13 61.393 0.071 12 1 . . . . 67 V CA . 16992 1 739 . 1 1 82 82 VAL CB C 13 38.035 0.040 8 1 . . . . 67 V CB . 16992 1 740 . 1 1 82 82 VAL CG1 C 13 22.516 0.042 3 1 . . . . 67 V CG1 . 16992 1 741 . 1 1 82 82 VAL CG2 C 13 22.302 0.043 3 1 . . . . 67 V CG2 . 16992 1 742 . 1 1 82 82 VAL N N 15 125.169 0.014 4 1 . . . . 67 V N . 16992 1 743 . 1 1 83 83 LEU H H 1 8.354 0.005 3 1 . . . . 68 L HN . 16992 1 744 . 1 1 83 83 LEU HA H 1 5.351 0.014 7 1 . . . . 68 L HA . 16992 1 745 . 1 1 83 83 LEU HB2 H 1 1.267 0.025 5 1 . . . . 68 L HB1 . 16992 1 746 . 1 1 83 83 LEU HB3 H 1 -0.129 0.006 3 1 . . . . 68 L HB2 . 16992 1 747 . 1 1 83 83 LEU HG H 1 0.445 0.005 3 1 . . . . 68 L HG . 16992 1 748 . 1 1 83 83 LEU C C 13 177.683 0.003 2 1 . . . . 68 L CO . 16992 1 749 . 1 1 83 83 LEU CA C 13 54.863 0.047 6 1 . . . . 68 L CA . 16992 1 750 . 1 1 83 83 LEU CB C 13 45.798 0.048 8 1 . . . . 68 L CB . 16992 1 751 . 1 1 83 83 LEU CD1 C 13 21.085 0.023 2 1 . . . . 68 L CD1 . 16992 1 752 . 1 1 83 83 LEU CD2 C 13 21.210 0.072 3 1 . . . . 68 L CD2 . 16992 1 753 . 1 1 83 83 LEU CG C 13 27.358 0.054 4 1 . . . . 68 L CG . 16992 1 754 . 1 1 83 83 LEU N N 15 125.944 0.027 3 1 . . . . 68 L N . 16992 1 755 . 1 1 84 84 THR H H 1 9.272 0.004 6 1 . . . . 69 T HN . 16992 1 756 . 1 1 84 84 THR HA H 1 5.213 0.009 7 1 . . . . 69 T HA . 16992 1 757 . 1 1 84 84 THR HB H 1 3.873 0.011 6 1 . . . . 69 T HB . 16992 1 758 . 1 1 84 84 THR HG21 H 1 1.256 0.000 3 1 . . . . 69 T HG2 . 16992 1 759 . 1 1 84 84 THR HG22 H 1 1.256 0.000 3 1 . . . . 69 T HG2 . 16992 1 760 . 1 1 84 84 THR HG23 H 1 1.256 0.000 3 1 . . . . 69 T HG2 . 16992 1 761 . 1 1 84 84 THR C C 13 170.640 0.067 2 1 . . . . 69 T CO . 16992 1 762 . 1 1 84 84 THR CA C 13 61.495 0.063 11 1 . . . . 69 T CA . 16992 1 763 . 1 1 84 84 THR CB C 13 73.438 0.035 5 1 . . . . 69 T CB . 16992 1 764 . 1 1 84 84 THR CG2 C 13 21.872 0.031 4 1 . . . . 69 T CG2 . 16992 1 765 . 1 1 84 84 THR N N 15 124.878 0.034 4 1 . . . . 69 T N . 16992 1 766 . 1 1 85 85 ASP H H 1 8.322 0.004 3 1 . . . . 70 D HN . 16992 1 767 . 1 1 85 85 ASP HA H 1 5.899 0.009 8 1 . . . . 70 D HA . 16992 1 768 . 1 1 85 85 ASP HB2 H 1 3.821 0.001 3 1 . . . . 70 D HB1 . 16992 1 769 . 1 1 85 85 ASP HB3 H 1 2.781 0.022 4 1 . . . . 70 D HB2 . 16992 1 770 . 1 1 85 85 ASP CA C 13 50.807 0.046 3 1 . . . . 70 D CA . 16992 1 771 . 1 1 85 85 ASP CB C 13 44.067 0.064 7 1 . . . . 70 D CB . 16992 1 772 . 1 1 85 85 ASP N N 15 126.617 0.009 3 1 . . . . 70 D N . 16992 1 773 . 1 1 86 86 PRO HA H 1 4.590 0.005 3 1 . . . . 71 P HA . 16992 1 774 . 1 1 86 86 PRO HB2 H 1 1.985 0.000 1 1 . . . . 71 P HB . 16992 1 775 . 1 1 86 86 PRO HB3 H 1 1.985 0.000 1 1 . . . . 71 P HB . 16992 1 776 . 1 1 86 86 PRO HD2 H 1 3.899 0.003 2 1 . . . . 71 P HD1 . 16992 1 777 . 1 1 86 86 PRO HD3 H 1 3.630 0.004 2 1 . . . . 71 P HD2 . 16992 1 778 . 1 1 86 86 PRO C C 13 177.081 0.031 2 1 . . . . 71 P CO . 16992 1 779 . 1 1 86 86 PRO CA C 13 64.430 0.039 5 1 . . . . 71 P CA . 16992 1 780 . 1 1 86 86 PRO CB C 13 33.201 0.062 4 1 . . . . 71 P CB . 16992 1 781 . 1 1 86 86 PRO CD C 13 51.297 0.041 5 1 . . . . 71 P CD . 16992 1 782 . 1 1 86 86 PRO CG C 13 27.084 0.000 1 1 . . . . 71 P CG . 16992 1 783 . 1 1 87 87 ASP H H 1 8.934 0.015 5 1 . . . . 72 D HN . 16992 1 784 . 1 1 87 87 ASP HA H 1 4.490 0.011 5 1 . . . . 72 D HA . 16992 1 785 . 1 1 87 87 ASP HB2 H 1 2.253 0.003 3 1 . . . . 72 D HB . 16992 1 786 . 1 1 87 87 ASP HB3 H 1 2.253 0.003 3 1 . . . . 72 D HB . 16992 1 787 . 1 1 87 87 ASP C C 13 181.175 0.000 1 1 . . . . 72 D CO . 16992 1 788 . 1 1 87 87 ASP CA C 13 55.451 0.026 6 1 . . . . 72 D CA . 16992 1 789 . 1 1 87 87 ASP CB C 13 41.948 0.042 5 1 . . . . 72 D CB . 16992 1 790 . 1 1 87 87 ASP N N 15 129.847 0.011 3 1 . . . . 72 D N . 16992 1 791 . 1 1 88 88 ALA H H 1 5.676 0.005 5 1 . . . . 73 A HN . 16992 1 792 . 1 1 88 88 ALA HA H 1 4.701 0.010 4 1 . . . . 73 A HA . 16992 1 793 . 1 1 88 88 ALA HB1 H 1 1.394 0.007 5 1 . . . . 73 A HB . 16992 1 794 . 1 1 88 88 ALA HB2 H 1 1.394 0.007 5 1 . . . . 73 A HB . 16992 1 795 . 1 1 88 88 ALA HB3 H 1 1.394 0.007 5 1 . . . . 73 A HB . 16992 1 796 . 1 1 88 88 ALA CA C 13 48.503 0.030 4 1 . . . . 73 A CA . 16992 1 797 . 1 1 88 88 ALA CB C 13 23.592 0.066 4 1 . . . . 73 A CB . 16992 1 798 . 1 1 88 88 ALA N N 15 117.212 0.008 3 1 . . . . 73 A N . 16992 1 799 . 1 1 89 89 PRO HA H 1 4.903 0.018 5 1 . . . . 74 P HA . 16992 1 800 . 1 1 89 89 PRO HB2 H 1 2.438 0.010 7 1 . . . . 74 P HB1 . 16992 1 801 . 1 1 89 89 PRO HB3 H 1 2.248 0.009 6 1 . . . . 74 P HB2 . 16992 1 802 . 1 1 89 89 PRO HD2 H 1 3.058 0.010 4 1 . . . . 74 P HD . 16992 1 803 . 1 1 89 89 PRO HD3 H 1 3.058 0.010 4 1 . . . . 74 P HD . 16992 1 804 . 1 1 89 89 PRO HG2 H 1 2.043 0.008 4 1 . . . . 74 P HG1 . 16992 1 805 . 1 1 89 89 PRO HG3 H 1 1.848 0.003 4 1 . . . . 74 P HG2 . 16992 1 806 . 1 1 89 89 PRO C C 13 175.568 0.026 2 1 . . . . 74 P CO . 16992 1 807 . 1 1 89 89 PRO CA C 13 65.938 0.092 6 1 . . . . 74 P CA . 16992 1 808 . 1 1 89 89 PRO CB C 13 35.537 0.063 9 1 . . . . 74 P CB . 16992 1 809 . 1 1 89 89 PRO CD C 13 51.155 0.017 5 1 . . . . 74 P CD . 16992 1 810 . 1 1 89 89 PRO CG C 13 25.660 0.040 6 1 . . . . 74 P CG . 16992 1 811 . 1 1 90 90 SER H H 1 6.604 0.007 5 1 . . . . 75 S HN . 16992 1 812 . 1 1 90 90 SER HA H 1 4.129 0.005 6 1 . . . . 75 S HA . 16992 1 813 . 1 1 90 90 SER HB2 H 1 4.052 0.024 3 1 . . . . 75 S HB1 . 16992 1 814 . 1 1 90 90 SER HB3 H 1 3.601 0.012 7 1 . . . . 75 S HB2 . 16992 1 815 . 1 1 90 90 SER C C 13 174.299 0.002 3 1 . . . . 75 S CO . 16992 1 816 . 1 1 90 90 SER CA C 13 57.892 0.020 9 1 . . . . 75 S CA . 16992 1 817 . 1 1 90 90 SER CB C 13 68.082 0.084 6 1 . . . . 75 S CB . 16992 1 818 . 1 1 90 90 SER N N 15 111.021 0.002 3 1 . . . . 75 S N . 16992 1 819 . 1 1 91 91 ARG H H 1 8.945 0.010 6 1 . . . . 76 R HN . 16992 1 820 . 1 1 91 91 ARG HA H 1 3.829 0.008 6 1 . . . . 76 R HA . 16992 1 821 . 1 1 91 91 ARG HB2 H 1 1.766 0.003 2 1 . . . . 76 R HB . 16992 1 822 . 1 1 91 91 ARG HB3 H 1 1.766 0.003 2 1 . . . . 76 R HB . 16992 1 823 . 1 1 91 91 ARG HD2 H 1 3.094 0.010 3 1 . . . . 76 R HD1 . 16992 1 824 . 1 1 91 91 ARG HD3 H 1 2.956 0.004 3 1 . . . . 76 R HD2 . 16992 1 825 . 1 1 91 91 ARG HG2 H 1 1.796 0.004 2 1 . . . . 76 R HG . 16992 1 826 . 1 1 91 91 ARG HG3 H 1 1.796 0.004 2 1 . . . . 76 R HG . 16992 1 827 . 1 1 91 91 ARG C C 13 178.600 0.058 2 1 . . . . 76 R CO . 16992 1 828 . 1 1 91 91 ARG CA C 13 59.822 0.034 7 1 . . . . 76 R CA . 16992 1 829 . 1 1 91 91 ARG CB C 13 31.718 0.068 4 1 . . . . 76 R CB . 16992 1 830 . 1 1 91 91 ARG CD C 13 45.723 0.023 7 1 . . . . 76 R CD . 16992 1 831 . 1 1 91 91 ARG CG C 13 28.219 0.037 3 1 . . . . 76 R CG . 16992 1 832 . 1 1 91 91 ARG N N 15 121.287 0.064 4 1 . . . . 76 R N . 16992 1 833 . 1 1 92 92 LYS H H 1 7.468 0.005 5 1 . . . . 77 K HN . 16992 1 834 . 1 1 92 92 LYS HA H 1 4.028 0.007 6 1 . . . . 77 K HA . 16992 1 835 . 1 1 92 92 LYS HB2 H 1 1.652 0.015 9 1 . . . . 77 K HB . 16992 1 836 . 1 1 92 92 LYS HB3 H 1 1.652 0.015 9 1 . . . . 77 K HB . 16992 1 837 . 1 1 92 92 LYS HD2 H 1 1.643 0.014 4 1 . . . . 77 K HD . 16992 1 838 . 1 1 92 92 LYS HD3 H 1 1.643 0.014 4 1 . . . . 77 K HD . 16992 1 839 . 1 1 92 92 LYS HE2 H 1 2.954 0.013 5 1 . . . . 77 K HE . 16992 1 840 . 1 1 92 92 LYS HE3 H 1 2.954 0.013 5 1 . . . . 77 K HE . 16992 1 841 . 1 1 92 92 LYS HG2 H 1 1.370 0.014 5 1 . . . . 77 K HG . 16992 1 842 . 1 1 92 92 LYS HG3 H 1 1.370 0.014 5 1 . . . . 77 K HG . 16992 1 843 . 1 1 92 92 LYS C C 13 177.636 0.040 2 1 . . . . 77 K CO . 16992 1 844 . 1 1 92 92 LYS CA C 13 58.539 0.040 10 1 . . . . 77 K CA . 16992 1 845 . 1 1 92 92 LYS CB C 13 33.911 0.029 8 1 . . . . 77 K CB . 16992 1 846 . 1 1 92 92 LYS CD C 13 30.069 0.024 7 1 . . . . 77 K CD . 16992 1 847 . 1 1 92 92 LYS CE C 13 43.142 0.022 5 1 . . . . 77 K CE . 16992 1 848 . 1 1 92 92 LYS CG C 13 26.032 0.040 7 1 . . . . 77 K CG . 16992 1 849 . 1 1 92 92 LYS N N 15 115.977 0.024 3 1 . . . . 77 K N . 16992 1 850 . 1 1 93 93 ASP H H 1 7.290 0.005 6 1 . . . . 78 D HN . 16992 1 851 . 1 1 93 93 ASP HA H 1 4.809 0.012 8 1 . . . . 78 D HA . 16992 1 852 . 1 1 93 93 ASP HB2 H 1 2.616 0.015 6 1 . . . . 78 D HB1 . 16992 1 853 . 1 1 93 93 ASP HB3 H 1 2.194 0.014 7 1 . . . . 78 D HB2 . 16992 1 854 . 1 1 93 93 ASP C C 13 177.584 0.000 1 1 . . . . 78 D CO . 16992 1 855 . 1 1 93 93 ASP CA C 13 52.513 0.071 8 1 . . . . 78 D CA . 16992 1 856 . 1 1 93 93 ASP CB C 13 41.839 0.038 7 1 . . . . 78 D CB . 16992 1 857 . 1 1 93 93 ASP N N 15 117.015 0.023 3 1 . . . . 78 D N . 16992 1 858 . 1 1 94 94 PRO HA H 1 4.698 0.009 3 1 . . . . 79 P HA . 16992 1 859 . 1 1 94 94 PRO HB2 H 1 2.027 0.010 5 1 . . . . 79 P HB . 16992 1 860 . 1 1 94 94 PRO HB3 H 1 2.027 0.010 5 1 . . . . 79 P HB . 16992 1 861 . 1 1 94 94 PRO HD2 H 1 3.265 0.006 2 1 . . . . 79 P HD1 . 16992 1 862 . 1 1 94 94 PRO HD3 H 1 3.433 0.000 2 1 . . . . 79 P HD2 . 16992 1 863 . 1 1 94 94 PRO HG2 H 1 1.923 0.003 2 1 . . . . 79 P HG1 . 16992 1 864 . 1 1 94 94 PRO HG3 H 1 1.788 0.009 2 1 . . . . 79 P HG2 . 16992 1 865 . 1 1 94 94 PRO C C 13 179.776 0.000 1 1 . . . . 79 P CO . 16992 1 866 . 1 1 94 94 PRO CA C 13 64.478 0.079 6 1 . . . . 79 P CA . 16992 1 867 . 1 1 94 94 PRO CB C 13 29.925 0.035 2 1 . . . . 79 P CB . 16992 1 868 . 1 1 94 94 PRO CD C 13 50.026 0.050 7 1 . . . . 79 P CD . 16992 1 869 . 1 1 94 94 PRO CG C 13 27.665 0.051 6 1 . . . . 79 P CG . 16992 1 870 . 1 1 95 95 LYS H H 1 8.387 0.005 6 1 . . . . 80 K HN . 16992 1 871 . 1 1 95 95 LYS HA H 1 3.943 0.013 15 1 . . . . 80 K HA . 16992 1 872 . 1 1 95 95 LYS HB2 H 1 1.441 0.026 10 1 . . . . 80 K HB1 . 16992 1 873 . 1 1 95 95 LYS HB3 H 1 1.299 0.007 9 1 . . . . 80 K HB2 . 16992 1 874 . 1 1 95 95 LYS HD2 H 1 1.501 0.008 8 1 . . . . 80 K HD1 . 16992 1 875 . 1 1 95 95 LYS HD3 H 1 1.454 0.018 5 1 . . . . 80 K HD2 . 16992 1 876 . 1 1 95 95 LYS HE2 H 1 2.826 0.009 11 1 . . . . 80 K HE . 16992 1 877 . 1 1 95 95 LYS HE3 H 1 2.826 0.009 11 1 . . . . 80 K HE . 16992 1 878 . 1 1 95 95 LYS HG2 H 1 0.981 0.013 8 1 . . . . 80 K HG1 . 16992 1 879 . 1 1 95 95 LYS HG3 H 1 0.808 0.008 7 1 . . . . 80 K HG2 . 16992 1 880 . 1 1 95 95 LYS C C 13 178.595 0.044 3 1 . . . . 80 K CO . 16992 1 881 . 1 1 95 95 LYS CA C 13 60.145 0.055 12 1 . . . . 80 K CA . 16992 1 882 . 1 1 95 95 LYS CB C 13 34.205 0.034 17 1 . . . . 80 K CB . 16992 1 883 . 1 1 95 95 LYS CD C 13 30.451 0.066 13 1 . . . . 80 K CD . 16992 1 884 . 1 1 95 95 LYS CE C 13 42.752 0.060 13 1 . . . . 80 K CE . 16992 1 885 . 1 1 95 95 LYS CG C 13 25.519 0.054 13 1 . . . . 80 K CG . 16992 1 886 . 1 1 95 95 LYS N N 15 124.413 0.017 4 1 . . . . 80 K N . 16992 1 887 . 1 1 96 96 TYR H H 1 8.927 0.009 9 1 . . . . 81 Y HN . 16992 1 888 . 1 1 96 96 TYR HA H 1 5.065 0.013 9 1 . . . . 81 Y HA . 16992 1 889 . 1 1 96 96 TYR HB2 H 1 3.672 0.006 5 1 . . . . 81 Y HB1 . 16992 1 890 . 1 1 96 96 TYR HB3 H 1 2.669 0.028 8 1 . . . . 81 Y HB2 . 16992 1 891 . 1 1 96 96 TYR C C 13 175.933 0.008 2 1 . . . . 81 Y CO . 16992 1 892 . 1 1 96 96 TYR CA C 13 55.256 0.061 11 1 . . . . 81 Y CA . 16992 1 893 . 1 1 96 96 TYR CB C 13 38.851 0.047 11 1 . . . . 81 Y CB . 16992 1 894 . 1 1 96 96 TYR N N 15 117.466 0.012 4 1 . . . . 81 Y N . 16992 1 895 . 1 1 97 97 ARG H H 1 7.652 0.005 7 1 . . . . 82 R HN . 16992 1 896 . 1 1 97 97 ARG HA H 1 4.211 0.012 5 1 . . . . 82 R HA . 16992 1 897 . 1 1 97 97 ARG HB2 H 1 1.991 0.017 5 1 . . . . 82 R HB . 16992 1 898 . 1 1 97 97 ARG HB3 H 1 1.991 0.017 5 1 . . . . 82 R HB . 16992 1 899 . 1 1 97 97 ARG HD2 H 1 3.635 0.012 4 1 . . . . 82 R HD1 . 16992 1 900 . 1 1 97 97 ARG HD3 H 1 3.241 0.021 2 1 . . . . 82 R HD2 . 16992 1 901 . 1 1 97 97 ARG HG2 H 1 1.680 0.000 2 1 . . . . 82 R HG . 16992 1 902 . 1 1 97 97 ARG HG3 H 1 1.680 0.000 2 1 . . . . 82 R HG . 16992 1 903 . 1 1 97 97 ARG C C 13 178.760 0.057 2 1 . . . . 82 R CO . 16992 1 904 . 1 1 97 97 ARG CA C 13 53.225 0.020 7 1 . . . . 82 R CA . 16992 1 905 . 1 1 97 97 ARG CB C 13 33.048 0.068 6 1 . . . . 82 R CB . 16992 1 906 . 1 1 97 97 ARG CD C 13 44.586 0.034 6 1 . . . . 82 R CD . 16992 1 907 . 1 1 97 97 ARG CG C 13 28.256 0.021 2 1 . . . . 82 R CG . 16992 1 908 . 1 1 97 97 ARG N N 15 121.938 0.029 4 1 . . . . 82 R N . 16992 1 909 . 1 1 98 98 GLU H H 1 9.643 0.011 6 1 . . . . 83 E HN . 16992 1 910 . 1 1 98 98 GLU HA H 1 4.713 0.015 7 1 . . . . 83 E HA . 16992 1 911 . 1 1 98 98 GLU HB2 H 1 2.151 0.031 4 1 . . . . 83 E HB . 16992 1 912 . 1 1 98 98 GLU HB3 H 1 2.151 0.031 4 1 . . . . 83 E HB . 16992 1 913 . 1 1 98 98 GLU HG2 H 1 2.662 0.001 2 1 . . . . 83 E HG . 16992 1 914 . 1 1 98 98 GLU HG3 H 1 2.662 0.001 2 1 . . . . 83 E HG . 16992 1 915 . 1 1 98 98 GLU C C 13 175.777 0.016 3 1 . . . . 83 E CO . 16992 1 916 . 1 1 98 98 GLU CA C 13 59.383 0.034 7 1 . . . . 83 E CA . 16992 1 917 . 1 1 98 98 GLU CB C 13 31.503 0.051 2 1 . . . . 83 E CB . 16992 1 918 . 1 1 98 98 GLU CG C 13 36.391 0.032 2 1 . . . . 83 E CG . 16992 1 919 . 1 1 98 98 GLU N N 15 128.733 0.017 4 1 . . . . 83 E N . 16992 1 920 . 1 1 99 99 TRP H H 1 8.991 0.009 5 1 . . . . 84 W HN . 16992 1 921 . 1 1 99 99 TRP HA H 1 5.130 0.023 9 1 . . . . 84 W HA . 16992 1 922 . 1 1 99 99 TRP HB2 H 1 4.040 0.007 2 1 . . . . 84 W HB1 . 16992 1 923 . 1 1 99 99 TRP HB3 H 1 2.737 0.007 3 1 . . . . 84 W HB2 . 16992 1 924 . 1 1 99 99 TRP C C 13 178.060 0.064 2 1 . . . . 84 W CO . 16992 1 925 . 1 1 99 99 TRP CA C 13 59.011 0.073 9 1 . . . . 84 W CA . 16992 1 926 . 1 1 99 99 TRP CB C 13 33.374 0.057 5 1 . . . . 84 W CB . 16992 1 927 . 1 1 99 99 TRP N N 15 125.537 0.007 3 1 . . . . 84 W N . 16992 1 928 . 1 1 100 100 HIS H H 1 8.033 0.007 5 1 . . . . 85 H HN . 16992 1 929 . 1 1 100 100 HIS HA H 1 5.234 0.037 5 1 . . . . 85 H HA . 16992 1 930 . 1 1 100 100 HIS HB2 H 1 2.490 0.005 2 1 . . . . 85 H HB . 16992 1 931 . 1 1 100 100 HIS HB3 H 1 2.490 0.005 2 1 . . . . 85 H HB . 16992 1 932 . 1 1 100 100 HIS C C 13 173.137 0.002 2 1 . . . . 85 H CO . 16992 1 933 . 1 1 100 100 HIS CA C 13 56.892 0.034 6 1 . . . . 85 H CA . 16992 1 934 . 1 1 100 100 HIS CB C 13 31.654 0.071 3 1 . . . . 85 H CB . 16992 1 935 . 1 1 100 100 HIS N N 15 126.060 0.037 4 1 . . . . 85 H N . 16992 1 936 . 1 1 101 101 HIS H H 1 8.875 0.008 5 1 . . . . 86 H HN . 16992 1 937 . 1 1 101 101 HIS HB2 H 1 2.475 0.006 3 1 . . . . 86 H HB . 16992 1 938 . 1 1 101 101 HIS HB3 H 1 2.475 0.006 3 1 . . . . 86 H HB . 16992 1 939 . 1 1 101 101 HIS C C 13 175.858 0.004 3 1 . . . . 86 H CO . 16992 1 940 . 1 1 101 101 HIS CA C 13 60.070 0.033 5 1 . . . . 86 H CA . 16992 1 941 . 1 1 101 101 HIS CB C 13 31.898 0.021 3 1 . . . . 86 H CB . 16992 1 942 . 1 1 101 101 HIS N N 15 122.309 0.038 3 1 . . . . 86 H N . 16992 1 943 . 1 1 102 102 PHE H H 1 7.742 0.008 9 1 . . . . 87 F HN . 16992 1 944 . 1 1 102 102 PHE HA H 1 5.226 0.009 10 1 . . . . 87 F HA . 16992 1 945 . 1 1 102 102 PHE HB2 H 1 3.267 0.014 2 1 . . . . 87 F HB1 . 16992 1 946 . 1 1 102 102 PHE HB3 H 1 3.069 0.019 4 1 . . . . 87 F HB2 . 16992 1 947 . 1 1 102 102 PHE C C 13 174.101 0.027 2 1 . . . . 87 F CO . 16992 1 948 . 1 1 102 102 PHE CA C 13 55.354 0.036 9 1 . . . . 87 F CA . 16992 1 949 . 1 1 102 102 PHE CB C 13 44.284 0.049 6 1 . . . . 87 F CB . 16992 1 950 . 1 1 102 102 PHE N N 15 119.731 0.020 4 1 . . . . 87 F N . 16992 1 951 . 1 1 103 103 LEU H H 1 8.386 0.020 6 1 . . . . 88 L HN . 16992 1 952 . 1 1 103 103 LEU HA H 1 5.211 0.035 11 1 . . . . 88 L HA . 16992 1 953 . 1 1 103 103 LEU HB2 H 1 1.882 0.009 9 1 . . . . 88 L HB1 . 16992 1 954 . 1 1 103 103 LEU HB3 H 1 1.131 0.020 8 1 . . . . 88 L HB2 . 16992 1 955 . 1 1 103 103 LEU HD11 H 1 0.429 0.007 11 1 . . . . 88 L HD1 . 16992 1 956 . 1 1 103 103 LEU HD12 H 1 0.429 0.007 11 1 . . . . 88 L HD1 . 16992 1 957 . 1 1 103 103 LEU HD13 H 1 0.429 0.007 11 1 . . . . 88 L HD1 . 16992 1 958 . 1 1 103 103 LEU HD21 H 1 0.375 0.012 10 1 . . . . 88 L HD2 . 16992 1 959 . 1 1 103 103 LEU HD22 H 1 0.375 0.012 10 1 . . . . 88 L HD2 . 16992 1 960 . 1 1 103 103 LEU HD23 H 1 0.375 0.012 10 1 . . . . 88 L HD2 . 16992 1 961 . 1 1 103 103 LEU HG H 1 1.210 0.011 9 1 . . . . 88 L HG . 16992 1 962 . 1 1 103 103 LEU C C 13 174.590 0.019 3 1 . . . . 88 L CO . 16992 1 963 . 1 1 103 103 LEU CA C 13 56.759 0.042 7 1 . . . . 88 L CA . 16992 1 964 . 1 1 103 103 LEU CB C 13 46.871 0.067 11 1 . . . . 88 L CB . 16992 1 965 . 1 1 103 103 LEU CD1 C 13 24.752 0.046 8 1 . . . . 88 L CD1 . 16992 1 966 . 1 1 103 103 LEU CD2 C 13 26.419 0.067 5 1 . . . . 88 L CD2 . 16992 1 967 . 1 1 103 103 LEU CG C 13 28.972 0.073 5 1 . . . . 88 L CG . 16992 1 968 . 1 1 103 103 LEU N N 15 130.023 0.029 3 1 . . . . 88 L N . 16992 1 969 . 1 1 104 104 VAL H H 1 9.239 0.008 7 1 . . . . 89 V HN . 16992 1 970 . 1 1 104 104 VAL HA H 1 4.804 0.008 8 1 . . . . 89 V HA . 16992 1 971 . 1 1 104 104 VAL HB H 1 1.865 0.010 9 1 . . . . 89 V HB . 16992 1 972 . 1 1 104 104 VAL HG11 H 1 0.862 0.010 8 1 . . . . 89 V HG1 . 16992 1 973 . 1 1 104 104 VAL HG12 H 1 0.862 0.010 8 1 . . . . 89 V HG1 . 16992 1 974 . 1 1 104 104 VAL HG13 H 1 0.862 0.010 8 1 . . . . 89 V HG1 . 16992 1 975 . 1 1 104 104 VAL HG21 H 1 0.196 0.006 7 1 . . . . 89 V HG2 . 16992 1 976 . 1 1 104 104 VAL HG22 H 1 0.196 0.006 7 1 . . . . 89 V HG2 . 16992 1 977 . 1 1 104 104 VAL HG23 H 1 0.196 0.006 7 1 . . . . 89 V HG2 . 16992 1 978 . 1 1 104 104 VAL C C 13 175.322 0.008 3 1 . . . . 89 V CO . 16992 1 979 . 1 1 104 104 VAL CA C 13 61.826 0.069 12 1 . . . . 89 V CA . 16992 1 980 . 1 1 104 104 VAL CB C 13 36.947 0.057 9 1 . . . . 89 V CB . 16992 1 981 . 1 1 104 104 VAL CG1 C 13 23.289 0.047 5 1 . . . . 89 V CG1 . 16992 1 982 . 1 1 104 104 VAL CG2 C 13 22.659 0.023 4 1 . . . . 89 V CG2 . 16992 1 983 . 1 1 104 104 VAL N N 15 131.203 0.018 4 1 . . . . 89 V N . 16992 1 984 . 1 1 105 105 VAL H H 1 8.678 0.006 6 1 . . . . 90 V HN . 16992 1 985 . 1 1 105 105 VAL HA H 1 5.359 0.006 13 1 . . . . 90 V HA . 16992 1 986 . 1 1 105 105 VAL HB H 1 2.017 0.008 8 1 . . . . 90 V HB . 16992 1 987 . 1 1 105 105 VAL HG11 H 1 1.074 0.009 7 1 . . . . 90 V HG1 . 16992 1 988 . 1 1 105 105 VAL HG12 H 1 1.074 0.009 7 1 . . . . 90 V HG1 . 16992 1 989 . 1 1 105 105 VAL HG13 H 1 1.074 0.009 7 1 . . . . 90 V HG1 . 16992 1 990 . 1 1 105 105 VAL HG21 H 1 0.874 0.008 7 1 . . . . 90 V HG2 . 16992 1 991 . 1 1 105 105 VAL HG22 H 1 0.874 0.008 7 1 . . . . 90 V HG2 . 16992 1 992 . 1 1 105 105 VAL HG23 H 1 0.874 0.008 7 1 . . . . 90 V HG2 . 16992 1 993 . 1 1 105 105 VAL C C 13 176.521 0.010 3 1 . . . . 90 V CO . 16992 1 994 . 1 1 105 105 VAL CA C 13 59.840 0.076 13 1 . . . . 90 V CA . 16992 1 995 . 1 1 105 105 VAL CB C 13 36.997 0.068 10 1 . . . . 90 V CB . 16992 1 996 . 1 1 105 105 VAL CG1 C 13 22.214 0.032 5 1 . . . . 90 V CG1 . 16992 1 997 . 1 1 105 105 VAL CG2 C 13 19.265 0.034 7 1 . . . . 90 V CG2 . 16992 1 998 . 1 1 105 105 VAL N N 15 116.873 0.018 4 1 . . . . 90 V N . 16992 1 999 . 1 1 106 106 ASN H H 1 9.356 0.016 6 1 . . . . 91 N HN . 16992 1 1000 . 1 1 106 106 ASN HA H 1 3.993 0.007 9 1 . . . . 91 N HA . 16992 1 1001 . 1 1 106 106 ASN HB2 H 1 3.448 0.011 4 1 . . . . 91 N HB1 . 16992 1 1002 . 1 1 106 106 ASN HB3 H 1 3.129 0.008 4 1 . . . . 91 N HB2 . 16992 1 1003 . 1 1 106 106 ASN C C 13 174.531 0.000 1 1 . . . . 91 N CO . 16992 1 1004 . 1 1 106 106 ASN CA C 13 55.556 0.051 11 1 . . . . 91 N CA . 16992 1 1005 . 1 1 106 106 ASN CB C 13 37.307 0.057 6 1 . . . . 91 N CB . 16992 1 1006 . 1 1 106 106 ASN N N 15 116.192 0.004 3 1 . . . . 91 N N . 16992 1 1007 . 1 1 107 107 MET H H 1 9.316 0.006 6 1 . . . . 92 M HN . 16992 1 1008 . 1 1 107 107 MET HA H 1 3.874 0.008 9 1 . . . . 92 M HA . 16992 1 1009 . 1 1 107 107 MET HB2 H 1 2.398 0.022 6 1 . . . . 92 M HB1 . 16992 1 1010 . 1 1 107 107 MET HB3 H 1 1.503 0.004 6 1 . . . . 92 M HB2 . 16992 1 1011 . 1 1 107 107 MET HG2 H 1 2.366 0.023 3 1 . . . . 92 M HG1 . 16992 1 1012 . 1 1 107 107 MET HG3 H 1 2.149 0.017 5 1 . . . . 92 M HG2 . 16992 1 1013 . 1 1 107 107 MET C C 13 176.127 0.021 3 1 . . . . 92 M CO . 16992 1 1014 . 1 1 107 107 MET CA C 13 57.599 0.062 10 1 . . . . 92 M CA . 16992 1 1015 . 1 1 107 107 MET CB C 13 35.355 0.032 9 1 . . . . 92 M CB . 16992 1 1016 . 1 1 107 107 MET CG C 13 30.576 0.041 6 1 . . . . 92 M CG . 16992 1 1017 . 1 1 107 107 MET N N 15 120.521 0.008 4 1 . . . . 92 M N . 16992 1 1018 . 1 1 108 108 LYS H H 1 8.537 0.010 7 1 . . . . 93 K HN . 16992 1 1019 . 1 1 108 108 LYS HA H 1 4.637 0.009 3 1 . . . . 93 K HA . 16992 1 1020 . 1 1 108 108 LYS HB2 H 1 1.910 0.006 2 1 . . . . 93 K HB1 . 16992 1 1021 . 1 1 108 108 LYS HB3 H 1 1.866 0.027 5 1 . . . . 93 K HB2 . 16992 1 1022 . 1 1 108 108 LYS HD2 H 1 1.737 0.002 4 1 . . . . 93 K HD1 . 16992 1 1023 . 1 1 108 108 LYS HD3 H 1 1.701 0.021 3 1 . . . . 93 K HD2 . 16992 1 1024 . 1 1 108 108 LYS HE2 H 1 3.034 0.011 2 1 . . . . 93 K HE . 16992 1 1025 . 1 1 108 108 LYS HE3 H 1 3.034 0.011 2 1 . . . . 93 K HE . 16992 1 1026 . 1 1 108 108 LYS HG2 H 1 1.432 0.018 3 1 . . . . 93 K HG1 . 16992 1 1027 . 1 1 108 108 LYS HG3 H 1 1.387 0.021 3 1 . . . . 93 K HG2 . 16992 1 1028 . 1 1 108 108 LYS C C 13 178.764 0.046 2 1 . . . . 93 K CO . 16992 1 1029 . 1 1 108 108 LYS CA C 13 56.905 0.036 5 1 . . . . 93 K CA . 16992 1 1030 . 1 1 108 108 LYS CB C 13 32.733 0.051 11 1 . . . . 93 K CB . 16992 1 1031 . 1 1 108 108 LYS CD C 13 30.581 0.051 8 1 . . . . 93 K CD . 16992 1 1032 . 1 1 108 108 LYS CE C 13 43.212 0.069 7 1 . . . . 93 K CE . 16992 1 1033 . 1 1 108 108 LYS CG C 13 25.931 0.068 8 1 . . . . 93 K CG . 16992 1 1034 . 1 1 108 108 LYS N N 15 127.744 0.016 4 1 . . . . 93 K N . 16992 1 1035 . 1 1 109 109 GLY H H 1 9.019 0.005 5 1 . . . . 94 G HN . 16992 1 1036 . 1 1 109 109 GLY HA2 H 1 3.850 0.010 4 1 . . . . 94 G HA1 . 16992 1 1037 . 1 1 109 109 GLY HA3 H 1 3.661 0.005 6 1 . . . . 94 G HA2 . 16992 1 1038 . 1 1 109 109 GLY C C 13 171.084 0.050 3 1 . . . . 94 G CO . 16992 1 1039 . 1 1 109 109 GLY CA C 13 49.241 0.021 9 1 . . . . 94 G CA . 16992 1 1040 . 1 1 109 109 GLY N N 15 118.895 0.006 3 1 . . . . 94 G N . 16992 1 1041 . 1 1 110 110 ASN H H 1 7.735 0.007 7 1 . . . . 95 N HN . 16992 1 1042 . 1 1 110 110 ASN HA H 1 4.729 0.016 7 1 . . . . 95 N HA . 16992 1 1043 . 1 1 110 110 ASN HB2 H 1 3.273 0.005 4 1 . . . . 95 N HB1 . 16992 1 1044 . 1 1 110 110 ASN HB3 H 1 1.930 0.004 4 1 . . . . 95 N HB2 . 16992 1 1045 . 1 1 110 110 ASN C C 13 176.622 0.046 2 1 . . . . 95 N CO . 16992 1 1046 . 1 1 110 110 ASN CA C 13 51.758 0.033 10 1 . . . . 95 N CA . 16992 1 1047 . 1 1 110 110 ASN CB C 13 38.726 0.031 7 1 . . . . 95 N CB . 16992 1 1048 . 1 1 110 110 ASN N N 15 119.468 0.031 4 1 . . . . 95 N N . 16992 1 1049 . 1 1 111 111 ASP H H 1 7.889 0.007 6 1 . . . . 96 D HN . 16992 1 1050 . 1 1 111 111 ASP HA H 1 4.769 0.015 9 1 . . . . 96 D HA . 16992 1 1051 . 1 1 111 111 ASP HB2 H 1 3.208 0.017 5 1 . . . . 96 D HB1 . 16992 1 1052 . 1 1 111 111 ASP HB3 H 1 2.703 0.026 4 1 . . . . 96 D HB2 . 16992 1 1053 . 1 1 111 111 ASP C C 13 178.130 0.019 2 1 . . . . 96 D CO . 16992 1 1054 . 1 1 111 111 ASP CA C 13 53.440 0.044 12 1 . . . . 96 D CA . 16992 1 1055 . 1 1 111 111 ASP CB C 13 40.382 0.076 5 1 . . . . 96 D CB . 16992 1 1056 . 1 1 111 111 ASP N N 15 117.496 0.012 3 1 . . . . 96 D N . 16992 1 1057 . 1 1 112 112 ILE H H 1 8.265 0.008 6 1 . . . . 97 I HN . 16992 1 1058 . 1 1 112 112 ILE HA H 1 3.722 0.005 11 1 . . . . 97 I HA . 16992 1 1059 . 1 1 112 112 ILE HB H 1 1.824 0.007 11 1 . . . . 97 I HB . 16992 1 1060 . 1 1 112 112 ILE HD11 H 1 0.768 0.003 13 1 . . . . 97 I HD1 . 16992 1 1061 . 1 1 112 112 ILE HD12 H 1 0.768 0.003 13 1 . . . . 97 I HD1 . 16992 1 1062 . 1 1 112 112 ILE HD13 H 1 0.768 0.003 13 1 . . . . 97 I HD1 . 16992 1 1063 . 1 1 112 112 ILE HG12 H 1 1.780 0.015 5 1 . . . . 97 I HG11 . 16992 1 1064 . 1 1 112 112 ILE HG13 H 1 1.031 0.006 11 1 . . . . 97 I HG12 . 16992 1 1065 . 1 1 112 112 ILE HG21 H 1 1.025 0.002 4 1 . . . . 97 I HG2 . 16992 1 1066 . 1 1 112 112 ILE HG22 H 1 1.025 0.002 4 1 . . . . 97 I HG2 . 16992 1 1067 . 1 1 112 112 ILE HG23 H 1 1.025 0.002 4 1 . . . . 97 I HG2 . 16992 1 1068 . 1 1 112 112 ILE C C 13 178.514 0.026 3 1 . . . . 97 I CO . 16992 1 1069 . 1 1 112 112 ILE CA C 13 66.983 0.050 9 1 . . . . 97 I CA . 16992 1 1070 . 1 1 112 112 ILE CB C 13 39.504 0.053 11 1 . . . . 97 I CB . 16992 1 1071 . 1 1 112 112 ILE CD1 C 13 14.267 0.052 7 1 . . . . 97 I CD1 . 16992 1 1072 . 1 1 112 112 ILE CG1 C 13 29.926 0.022 7 1 . . . . 97 I CG1 . 16992 1 1073 . 1 1 112 112 ILE CG2 C 13 18.794 0.047 8 1 . . . . 97 I CG2 . 16992 1 1074 . 1 1 112 112 ILE N N 15 130.357 0.009 3 1 . . . . 97 I N . 16992 1 1075 . 1 1 113 113 SER H H 1 8.053 0.006 8 1 . . . . 98 S HN . 16992 1 1076 . 1 1 113 113 SER HA H 1 4.399 0.009 7 1 . . . . 98 S HA . 16992 1 1077 . 1 1 113 113 SER HB2 H 1 4.030 0.003 2 1 . . . . 98 S HB1 . 16992 1 1078 . 1 1 113 113 SER HB3 H 1 4.006 0.018 7 1 . . . . 98 S HB2 . 16992 1 1079 . 1 1 113 113 SER C C 13 175.695 0.019 2 1 . . . . 98 S CO . 16992 1 1080 . 1 1 113 113 SER CA C 13 61.757 0.054 11 1 . . . . 98 S CA . 16992 1 1081 . 1 1 113 113 SER CB C 13 64.552 0.046 4 1 . . . . 98 S CB . 16992 1 1082 . 1 1 113 113 SER N N 15 113.716 0.019 4 1 . . . . 98 S N . 16992 1 1083 . 1 1 114 114 SER H H 1 7.841 0.003 5 1 . . . . 99 S HN . 16992 1 1084 . 1 1 114 114 SER HA H 1 4.482 0.012 9 1 . . . . 99 S HA . 16992 1 1085 . 1 1 114 114 SER HB2 H 1 4.139 0.001 2 1 . . . . 99 S HB1 . 16992 1 1086 . 1 1 114 114 SER HB3 H 1 4.052 0.040 3 1 . . . . 99 S HB2 . 16992 1 1087 . 1 1 114 114 SER C C 13 176.564 0.030 2 1 . . . . 99 S CO . 16992 1 1088 . 1 1 114 114 SER CA C 13 60.618 0.049 10 1 . . . . 99 S CA . 16992 1 1089 . 1 1 114 114 SER CB C 13 66.423 0.047 5 1 . . . . 99 S CB . 16992 1 1090 . 1 1 114 114 SER N N 15 117.809 0.007 3 1 . . . . 99 S N . 16992 1 1091 . 1 1 115 115 GLY H H 1 7.691 0.006 7 1 . . . . 100 G HN . 16992 1 1092 . 1 1 115 115 GLY HA2 H 1 4.304 0.011 7 1 . . . . 100 G HA1 . 16992 1 1093 . 1 1 115 115 GLY HA3 H 1 3.340 0.007 7 1 . . . . 100 G HA2 . 16992 1 1094 . 1 1 115 115 GLY C C 13 173.971 0.001 2 1 . . . . 100 G CO . 16992 1 1095 . 1 1 115 115 GLY CA C 13 45.366 0.028 8 1 . . . . 100 G CA . 16992 1 1096 . 1 1 115 115 GLY N N 15 107.965 0.015 3 1 . . . . 100 G N . 16992 1 1097 . 1 1 116 116 THR H H 1 9.321 0.007 7 1 . . . . 101 T HN . 16992 1 1098 . 1 1 116 116 THR HA H 1 4.397 0.008 9 1 . . . . 101 T HA . 16992 1 1099 . 1 1 116 116 THR HB H 1 4.010 0.003 5 1 . . . . 101 T HB . 16992 1 1100 . 1 1 116 116 THR HG21 H 1 1.086 0.007 6 1 . . . . 101 T HG2 . 16992 1 1101 . 1 1 116 116 THR HG22 H 1 1.086 0.007 6 1 . . . . 101 T HG2 . 16992 1 1102 . 1 1 116 116 THR HG23 H 1 1.086 0.007 6 1 . . . . 101 T HG2 . 16992 1 1103 . 1 1 116 116 THR C C 13 174.354 0.000 1 1 . . . . 101 T CO . 16992 1 1104 . 1 1 116 116 THR CA C 13 63.538 0.057 10 1 . . . . 101 T CA . 16992 1 1105 . 1 1 116 116 THR CB C 13 71.034 0.061 6 1 . . . . 101 T CB . 16992 1 1106 . 1 1 116 116 THR CG2 C 13 21.917 0.058 5 1 . . . . 101 T CG2 . 16992 1 1107 . 1 1 116 116 THR N N 15 118.700 0.020 3 1 . . . . 101 T N . 16992 1 1108 . 1 1 117 117 VAL H H 1 8.987 0.007 6 1 . . . . 102 V HN . 16992 1 1109 . 1 1 117 117 VAL HA H 1 3.916 0.012 7 1 . . . . 102 V HA . 16992 1 1110 . 1 1 117 117 VAL HB H 1 2.140 0.011 7 1 . . . . 102 V HB . 16992 1 1111 . 1 1 117 117 VAL HG11 H 1 1.074 0.044 7 1 . . . . 102 V HG1 . 16992 1 1112 . 1 1 117 117 VAL HG12 H 1 1.074 0.044 7 1 . . . . 102 V HG1 . 16992 1 1113 . 1 1 117 117 VAL HG13 H 1 1.074 0.044 7 1 . . . . 102 V HG1 . 16992 1 1114 . 1 1 117 117 VAL HG21 H 1 0.983 0.026 4 1 . . . . 102 V HG2 . 16992 1 1115 . 1 1 117 117 VAL HG22 H 1 0.983 0.026 4 1 . . . . 102 V HG2 . 16992 1 1116 . 1 1 117 117 VAL HG23 H 1 0.983 0.026 4 1 . . . . 102 V HG2 . 16992 1 1117 . 1 1 117 117 VAL C C 13 176.712 0.044 2 1 . . . . 102 V CO . 16992 1 1118 . 1 1 117 117 VAL CA C 13 64.153 0.063 8 1 . . . . 102 V CA . 16992 1 1119 . 1 1 117 117 VAL CB C 13 32.044 0.056 5 1 . . . . 102 V CB . 16992 1 1120 . 1 1 117 117 VAL CG1 C 13 22.562 0.061 3 1 . . . . 102 V CG1 . 16992 1 1121 . 1 1 117 117 VAL CG2 C 13 21.998 0.055 3 1 . . . . 102 V CG2 . 16992 1 1122 . 1 1 117 117 VAL N N 15 130.290 0.019 3 1 . . . . 102 V N . 16992 1 1123 . 1 1 118 118 LEU H H 1 8.386 0.006 9 1 . . . . 103 L HN . 16992 1 1124 . 1 1 118 118 LEU HA H 1 4.478 0.011 8 1 . . . . 103 L HA . 16992 1 1125 . 1 1 118 118 LEU HB2 H 1 1.787 0.009 6 1 . . . . 103 L HB1 . 16992 1 1126 . 1 1 118 118 LEU HB3 H 1 1.468 0.013 6 1 . . . . 103 L HB2 . 16992 1 1127 . 1 1 118 118 LEU HD11 H 1 0.938 0.007 10 1 . . . . 103 L HD1 . 16992 1 1128 . 1 1 118 118 LEU HD12 H 1 0.938 0.007 10 1 . . . . 103 L HD1 . 16992 1 1129 . 1 1 118 118 LEU HD13 H 1 0.938 0.007 10 1 . . . . 103 L HD1 . 16992 1 1130 . 1 1 118 118 LEU HD21 H 1 0.679 0.009 4 1 . . . . 103 L HD2 . 16992 1 1131 . 1 1 118 118 LEU HD22 H 1 0.679 0.009 4 1 . . . . 103 L HD2 . 16992 1 1132 . 1 1 118 118 LEU HD23 H 1 0.679 0.009 4 1 . . . . 103 L HD2 . 16992 1 1133 . 1 1 118 118 LEU HG H 1 1.482 0.028 3 1 . . . . 103 L HG . 16992 1 1134 . 1 1 118 118 LEU C C 13 177.449 0.046 3 1 . . . . 103 L CO . 16992 1 1135 . 1 1 118 118 LEU CA C 13 57.714 0.047 8 1 . . . . 103 L CA . 16992 1 1136 . 1 1 118 118 LEU CB C 13 42.727 0.078 11 1 . . . . 103 L CB . 16992 1 1137 . 1 1 118 118 LEU CD1 C 13 27.562 0.056 6 1 . . . . 103 L CD1 . 16992 1 1138 . 1 1 118 118 LEU CD2 C 13 23.938 0.062 7 1 . . . . 103 L CD2 . 16992 1 1139 . 1 1 118 118 LEU CG C 13 30.456 0.073 3 1 . . . . 103 L CG . 16992 1 1140 . 1 1 118 118 LEU N N 15 132.282 0.018 4 1 . . . . 103 L N . 16992 1 1141 . 1 1 119 119 SER H H 1 7.701 0.010 9 1 . . . . 104 S HN . 16992 1 1142 . 1 1 119 119 SER HA H 1 5.182 0.009 9 1 . . . . 104 S HA . 16992 1 1143 . 1 1 119 119 SER HB2 H 1 3.495 0.008 6 1 . . . . 104 S HB1 . 16992 1 1144 . 1 1 119 119 SER HB3 H 1 3.218 0.012 5 1 . . . . 104 S HB2 . 16992 1 1145 . 1 1 119 119 SER C C 13 174.779 0.026 2 1 . . . . 104 S CO . 16992 1 1146 . 1 1 119 119 SER CA C 13 56.940 0.057 11 1 . . . . 104 S CA . 16992 1 1147 . 1 1 119 119 SER CB C 13 63.939 0.059 5 1 . . . . 104 S CB . 16992 1 1148 . 1 1 119 119 SER N N 15 111.586 0.027 4 1 . . . . 104 S N . 16992 1 1149 . 1 1 120 120 ASP H H 1 8.101 0.006 6 1 . . . . 105 D HN . 16992 1 1150 . 1 1 120 120 ASP HA H 1 4.792 0.011 11 1 . . . . 105 D HA . 16992 1 1151 . 1 1 120 120 ASP HB2 H 1 2.910 0.010 7 1 . . . . 105 D HB1 . 16992 1 1152 . 1 1 120 120 ASP HB3 H 1 2.477 0.017 6 1 . . . . 105 D HB2 . 16992 1 1153 . 1 1 120 120 ASP C C 13 177.427 0.057 2 1 . . . . 105 D CO . 16992 1 1154 . 1 1 120 120 ASP CA C 13 55.231 0.044 10 1 . . . . 105 D CA . 16992 1 1155 . 1 1 120 120 ASP CB C 13 41.568 0.048 9 1 . . . . 105 D CB . 16992 1 1156 . 1 1 120 120 ASP N N 15 124.069 0.022 4 1 . . . . 105 D N . 16992 1 1157 . 1 1 121 121 TYR H H 1 8.968 0.002 5 1 . . . . 106 Y HN . 16992 1 1158 . 1 1 121 121 TYR HA H 1 3.989 0.010 8 1 . . . . 106 Y HA . 16992 1 1159 . 1 1 121 121 TYR HB2 H 1 2.767 0.017 6 1 . . . . 106 Y HB1 . 16992 1 1160 . 1 1 121 121 TYR HB3 H 1 1.773 0.011 6 1 . . . . 106 Y HB2 . 16992 1 1161 . 1 1 121 121 TYR C C 13 175.367 0.005 3 1 . . . . 106 Y CO . 16992 1 1162 . 1 1 121 121 TYR CA C 13 62.321 0.050 9 1 . . . . 106 Y CA . 16992 1 1163 . 1 1 121 121 TYR CB C 13 39.906 0.026 6 1 . . . . 106 Y CB . 16992 1 1164 . 1 1 121 121 TYR N N 15 123.551 0.005 4 1 . . . . 106 Y N . 16992 1 1165 . 1 1 122 122 VAL H H 1 7.659 0.009 4 1 . . . . 107 V HN . 16992 1 1166 . 1 1 122 122 VAL HA H 1 3.908 0.012 10 1 . . . . 107 V HA . 16992 1 1167 . 1 1 122 122 VAL HB H 1 1.837 0.024 8 1 . . . . 107 V HB . 16992 1 1168 . 1 1 122 122 VAL HG11 H 1 1.285 0.015 7 1 . . . . 107 V HG1 . 16992 1 1169 . 1 1 122 122 VAL HG12 H 1 1.285 0.015 7 1 . . . . 107 V HG1 . 16992 1 1170 . 1 1 122 122 VAL HG13 H 1 1.285 0.015 7 1 . . . . 107 V HG1 . 16992 1 1171 . 1 1 122 122 VAL HG21 H 1 0.973 0.005 9 1 . . . . 107 V HG2 . 16992 1 1172 . 1 1 122 122 VAL HG22 H 1 0.973 0.005 9 1 . . . . 107 V HG2 . 16992 1 1173 . 1 1 122 122 VAL HG23 H 1 0.973 0.005 9 1 . . . . 107 V HG2 . 16992 1 1174 . 1 1 122 122 VAL C C 13 176.918 0.033 2 1 . . . . 107 V CO . 16992 1 1175 . 1 1 122 122 VAL CA C 13 62.517 0.053 11 1 . . . . 107 V CA . 16992 1 1176 . 1 1 122 122 VAL CB C 13 37.045 0.071 8 1 . . . . 107 V CB . 16992 1 1177 . 1 1 122 122 VAL CG1 C 13 23.424 0.022 4 1 . . . . 107 V CG1 . 16992 1 1178 . 1 1 122 122 VAL CG2 C 13 23.199 0.066 4 1 . . . . 107 V CG2 . 16992 1 1179 . 1 1 122 122 VAL N N 15 130.938 0.015 2 1 . . . . 107 V N . 16992 1 1180 . 1 1 123 123 GLY H H 1 8.082 0.004 5 1 . . . . 108 G HN . 16992 1 1181 . 1 1 123 123 GLY HA2 H 1 3.876 0.015 4 1 . . . . 108 G HA1 . 16992 1 1182 . 1 1 123 123 GLY HA3 H 1 3.649 0.030 8 1 . . . . 108 G HA2 . 16992 1 1183 . 1 1 123 123 GLY C C 13 174.244 0.045 3 1 . . . . 108 G CO . 16992 1 1184 . 1 1 123 123 GLY CA C 13 45.345 0.031 9 1 . . . . 108 G CA . 16992 1 1185 . 1 1 123 123 GLY N N 15 114.168 0.020 3 1 . . . . 108 G N . 16992 1 1186 . 1 1 124 124 SER H H 1 6.653 0.009 5 1 . . . . 109 S HN . 16992 1 1187 . 1 1 124 124 SER HA H 1 3.401 0.041 9 1 . . . . 109 S HA . 16992 1 1188 . 1 1 124 124 SER HB2 H 1 3.113 0.032 3 1 . . . . 109 S HB1 . 16992 1 1189 . 1 1 124 124 SER HB3 H 1 2.807 0.019 3 1 . . . . 109 S HB2 . 16992 1 1190 . 1 1 124 124 SER CA C 13 62.081 0.050 10 1 . . . . 109 S CA . 16992 1 1191 . 1 1 124 124 SER CB C 13 65.921 0.063 5 1 . . . . 109 S CB . 16992 1 1192 . 1 1 124 124 SER N N 15 112.491 0.043 4 1 . . . . 109 S N . 16992 1 1193 . 1 1 125 125 GLY H H 1 9.159 0.083 6 1 . . . . 110 G HN . 16992 1 1194 . 1 1 125 125 GLY HA2 H 1 4.560 0.001 2 1 . . . . 110 G HA . 16992 1 1195 . 1 1 125 125 GLY HA3 H 1 4.560 0.001 2 1 . . . . 110 G HA . 16992 1 1196 . 1 1 125 125 GLY CA C 13 48.251 0.036 2 1 . . . . 110 G CA . 16992 1 1197 . 1 1 125 125 GLY N N 15 113.160 0.100 4 1 . . . . 110 G N . 16992 1 1198 . 1 1 127 127 PRO HA H 1 4.578 0.008 3 1 . . . . 112 P HA . 16992 1 1199 . 1 1 127 127 PRO HB2 H 1 1.945 0.003 3 1 . . . . 112 P HB . 16992 1 1200 . 1 1 127 127 PRO HB3 H 1 1.945 0.003 3 1 . . . . 112 P HB . 16992 1 1201 . 1 1 127 127 PRO HD2 H 1 2.466 0.012 2 1 . . . . 112 P HD . 16992 1 1202 . 1 1 127 127 PRO HD3 H 1 2.466 0.012 2 1 . . . . 112 P HD . 16992 1 1203 . 1 1 127 127 PRO C C 13 179.779 0.060 2 1 . . . . 112 P CO . 16992 1 1204 . 1 1 127 127 PRO CA C 13 63.743 0.074 4 1 . . . . 112 P CA . 16992 1 1205 . 1 1 127 127 PRO CB C 13 33.202 0.075 3 1 . . . . 112 P CB . 16992 1 1206 . 1 1 128 128 LYS H H 1 9.096 0.014 5 1 . . . . 113 K HN . 16992 1 1207 . 1 1 128 128 LYS HA H 1 3.511 0.009 11 1 . . . . 113 K HA . 16992 1 1208 . 1 1 128 128 LYS HB2 H 1 1.185 0.015 12 1 . . . . 113 K HB1 . 16992 1 1209 . 1 1 128 128 LYS HB3 H 1 0.081 0.016 10 1 . . . . 113 K HB2 . 16992 1 1210 . 1 1 128 128 LYS HD2 H 1 0.767 0.011 11 1 . . . . 113 K HD1 . 16992 1 1211 . 1 1 128 128 LYS HD3 H 1 0.309 0.006 6 1 . . . . 113 K HD2 . 16992 1 1212 . 1 1 128 128 LYS HE2 H 1 2.033 0.008 10 1 . . . . 113 K HE1 . 16992 1 1213 . 1 1 128 128 LYS HE3 H 1 1.965 0.002 9 1 . . . . 113 K HE2 . 16992 1 1214 . 1 1 128 128 LYS HG2 H 1 0.788 0.007 2 1 . . . . 113 K HG1 . 16992 1 1215 . 1 1 128 128 LYS HG3 H 1 0.310 0.021 8 1 . . . . 113 K HG2 . 16992 1 1216 . 1 1 128 128 LYS C C 13 178.539 0.038 3 1 . . . . 113 K CO . 16992 1 1217 . 1 1 128 128 LYS CA C 13 59.942 0.054 8 1 . . . . 113 K CA . 16992 1 1218 . 1 1 128 128 LYS CB C 13 32.918 0.048 16 1 . . . . 113 K CB . 16992 1 1219 . 1 1 128 128 LYS CD C 13 29.843 0.027 11 1 . . . . 113 K CD . 16992 1 1220 . 1 1 128 128 LYS CE C 13 42.337 0.051 11 1 . . . . 113 K CE . 16992 1 1221 . 1 1 128 128 LYS CG C 13 25.877 0.041 11 1 . . . . 113 K CG . 16992 1 1222 . 1 1 128 128 LYS N N 15 130.981 0.005 3 1 . . . . 113 K N . 16992 1 1223 . 1 1 129 129 GLY H H 1 9.059 0.006 6 1 . . . . 114 G HN . 16992 1 1224 . 1 1 129 129 GLY HA2 H 1 4.218 0.010 6 1 . . . . 114 G HA1 . 16992 1 1225 . 1 1 129 129 GLY HA3 H 1 3.817 0.010 7 1 . . . . 114 G HA2 . 16992 1 1226 . 1 1 129 129 GLY C C 13 176.735 0.043 3 1 . . . . 114 G CO . 16992 1 1227 . 1 1 129 129 GLY CA C 13 46.703 0.047 10 1 . . . . 114 G CA . 16992 1 1228 . 1 1 129 129 GLY N N 15 114.591 0.013 3 1 . . . . 114 G N . 16992 1 1229 . 1 1 130 130 THR H H 1 7.535 0.003 8 1 . . . . 115 T HN . 16992 1 1230 . 1 1 130 130 THR HA H 1 4.543 0.008 7 1 . . . . 115 T HA . 16992 1 1231 . 1 1 130 130 THR HB H 1 4.818 0.007 6 1 . . . . 115 T HB . 16992 1 1232 . 1 1 130 130 THR HG21 H 1 1.239 0.008 5 1 . . . . 115 T HG2 . 16992 1 1233 . 1 1 130 130 THR HG22 H 1 1.239 0.008 5 1 . . . . 115 T HG2 . 16992 1 1234 . 1 1 130 130 THR HG23 H 1 1.239 0.008 5 1 . . . . 115 T HG2 . 16992 1 1235 . 1 1 130 130 THR C C 13 175.640 0.012 2 1 . . . . 115 T CO . 16992 1 1236 . 1 1 130 130 THR CA C 13 63.069 0.047 10 1 . . . . 115 T CA . 16992 1 1237 . 1 1 130 130 THR CB C 13 72.261 0.051 6 1 . . . . 115 T CB . 16992 1 1238 . 1 1 130 130 THR CG2 C 13 22.805 0.029 4 1 . . . . 115 T CG2 . 16992 1 1239 . 1 1 130 130 THR N N 15 107.417 0.021 4 1 . . . . 115 T N . 16992 1 1240 . 1 1 131 131 GLY H H 1 8.518 0.007 7 1 . . . . 116 G HN . 16992 1 1241 . 1 1 131 131 GLY HA2 H 1 4.142 0.014 7 1 . . . . 116 G HA1 . 16992 1 1242 . 1 1 131 131 GLY HA3 H 1 3.950 0.011 6 1 . . . . 116 G HA2 . 16992 1 1243 . 1 1 131 131 GLY C C 13 174.969 0.020 3 1 . . . . 116 G CO . 16992 1 1244 . 1 1 131 131 GLY CA C 13 46.115 0.051 8 1 . . . . 116 G CA . 16992 1 1245 . 1 1 131 131 GLY N N 15 112.142 0.010 3 1 . . . . 116 G N . 16992 1 1246 . 1 1 132 132 LEU H H 1 8.578 0.008 6 1 . . . . 117 L HN . 16992 1 1247 . 1 1 132 132 LEU HA H 1 4.308 0.015 11 1 . . . . 117 L HA . 16992 1 1248 . 1 1 132 132 LEU HB2 H 1 1.749 0.036 6 1 . . . . 117 L HB1 . 16992 1 1249 . 1 1 132 132 LEU HB3 H 1 1.078 0.012 9 1 . . . . 117 L HB2 . 16992 1 1250 . 1 1 132 132 LEU HD11 H 1 0.815 0.002 2 1 . . . . 117 L HD1 . 16992 1 1251 . 1 1 132 132 LEU HD12 H 1 0.815 0.002 2 1 . . . . 117 L HD1 . 16992 1 1252 . 1 1 132 132 LEU HD13 H 1 0.815 0.002 2 1 . . . . 117 L HD1 . 16992 1 1253 . 1 1 132 132 LEU HD21 H 1 0.813 0.008 8 1 . . . . 117 L HD2 . 16992 1 1254 . 1 1 132 132 LEU HD22 H 1 0.813 0.008 8 1 . . . . 117 L HD2 . 16992 1 1255 . 1 1 132 132 LEU HD23 H 1 0.813 0.008 8 1 . . . . 117 L HD2 . 16992 1 1256 . 1 1 132 132 LEU HG H 1 1.692 0.047 5 1 . . . . 117 L HG . 16992 1 1257 . 1 1 132 132 LEU C C 13 180.744 0.069 3 1 . . . . 117 L CO . 16992 1 1258 . 1 1 132 132 LEU CA C 13 56.482 0.016 8 1 . . . . 117 L CA . 16992 1 1259 . 1 1 132 132 LEU CB C 13 44.209 0.051 12 1 . . . . 117 L CB . 16992 1 1260 . 1 1 132 132 LEU CD1 C 13 26.692 0.027 5 1 . . . . 117 L CD1 . 16992 1 1261 . 1 1 132 132 LEU CD2 C 13 24.631 0.040 5 1 . . . . 117 L CD2 . 16992 1 1262 . 1 1 132 132 LEU CG C 13 27.950 0.026 2 1 . . . . 117 L CG . 16992 1 1263 . 1 1 132 132 LEU N N 15 119.431 0.021 4 1 . . . . 117 L N . 16992 1 1264 . 1 1 133 133 HIS H H 1 9.179 0.009 7 1 . . . . 118 H HN . 16992 1 1265 . 1 1 133 133 HIS HA H 1 4.863 0.020 6 1 . . . . 118 H HA . 16992 1 1266 . 1 1 133 133 HIS HB2 H 1 3.127 0.011 4 1 . . . . 118 H HB . 16992 1 1267 . 1 1 133 133 HIS HB3 H 1 3.127 0.011 4 1 . . . . 118 H HB . 16992 1 1268 . 1 1 133 133 HIS C C 13 174.894 0.038 3 1 . . . . 118 H CO . 16992 1 1269 . 1 1 133 133 HIS CA C 13 54.595 0.035 6 1 . . . . 118 H CA . 16992 1 1270 . 1 1 133 133 HIS CB C 13 31.105 0.052 4 1 . . . . 118 H CB . 16992 1 1271 . 1 1 133 133 HIS N N 15 126.448 0.006 4 1 . . . . 118 H N . 16992 1 1272 . 1 1 134 134 ARG H H 1 9.204 0.007 7 1 . . . . 119 R HN . 16992 1 1273 . 1 1 134 134 ARG HA H 1 3.795 0.017 9 1 . . . . 119 R HA . 16992 1 1274 . 1 1 134 134 ARG HB2 H 1 1.776 0.011 3 1 . . . . 119 R HB1 . 16992 1 1275 . 1 1 134 134 ARG HB3 H 1 1.066 0.010 5 1 . . . . 119 R HB2 . 16992 1 1276 . 1 1 134 134 ARG HD2 H 1 3.228 0.000 2 1 . . . . 119 R HD . 16992 1 1277 . 1 1 134 134 ARG HD3 H 1 3.228 0.000 2 1 . . . . 119 R HD . 16992 1 1278 . 1 1 134 134 ARG HG2 H 1 1.989 0.001 2 1 . . . . 119 R HG . 16992 1 1279 . 1 1 134 134 ARG HG3 H 1 1.989 0.001 2 1 . . . . 119 R HG . 16992 1 1280 . 1 1 134 134 ARG C C 13 172.781 0.020 3 1 . . . . 119 R CO . 16992 1 1281 . 1 1 134 134 ARG CA C 13 57.072 0.053 10 1 . . . . 119 R CA . 16992 1 1282 . 1 1 134 134 ARG CB C 13 31.905 0.060 3 1 . . . . 119 R CB . 16992 1 1283 . 1 1 134 134 ARG CD C 13 45.251 0.033 3 1 . . . . 119 R CD . 16992 1 1284 . 1 1 134 134 ARG CG C 13 26.191 0.067 2 1 . . . . 119 R CG . 16992 1 1285 . 1 1 134 134 ARG N N 15 122.716 0.016 4 1 . . . . 119 R N . 16992 1 1286 . 1 1 135 135 TYR H H 1 8.513 0.013 6 1 . . . . 120 Y HN . 16992 1 1287 . 1 1 135 135 TYR HA H 1 4.378 0.012 6 1 . . . . 120 Y HA . 16992 1 1288 . 1 1 135 135 TYR HB2 H 1 1.845 0.010 3 1 . . . . 120 Y HB1 . 16992 1 1289 . 1 1 135 135 TYR HB3 H 1 0.857 0.021 4 1 . . . . 120 Y HB2 . 16992 1 1290 . 1 1 135 135 TYR C C 13 175.626 0.015 3 1 . . . . 120 Y CO . 16992 1 1291 . 1 1 135 135 TYR CA C 13 58.434 0.031 6 1 . . . . 120 Y CA . 16992 1 1292 . 1 1 135 135 TYR CB C 13 39.245 0.043 4 1 . . . . 120 Y CB . 16992 1 1293 . 1 1 135 135 TYR N N 15 118.363 0.016 4 1 . . . . 120 Y N . 16992 1 1294 . 1 1 136 136 VAL H H 1 8.882 0.007 7 1 . . . . 121 V HN . 16992 1 1295 . 1 1 136 136 VAL HA H 1 4.524 0.009 8 1 . . . . 121 V HA . 16992 1 1296 . 1 1 136 136 VAL HB H 1 2.106 0.029 6 1 . . . . 121 V HB . 16992 1 1297 . 1 1 136 136 VAL HG11 H 1 1.117 0.005 4 1 . . . . 121 V HG1 . 16992 1 1298 . 1 1 136 136 VAL HG12 H 1 1.117 0.005 4 1 . . . . 121 V HG1 . 16992 1 1299 . 1 1 136 136 VAL HG13 H 1 1.117 0.005 4 1 . . . . 121 V HG1 . 16992 1 1300 . 1 1 136 136 VAL HG21 H 1 0.757 0.004 4 1 . . . . 121 V HG2 . 16992 1 1301 . 1 1 136 136 VAL HG22 H 1 0.757 0.004 4 1 . . . . 121 V HG2 . 16992 1 1302 . 1 1 136 136 VAL HG23 H 1 0.757 0.004 4 1 . . . . 121 V HG2 . 16992 1 1303 . 1 1 136 136 VAL C C 13 176.348 0.065 3 1 . . . . 121 V CO . 16992 1 1304 . 1 1 136 136 VAL CA C 13 63.428 0.063 11 1 . . . . 121 V CA . 16992 1 1305 . 1 1 136 136 VAL CB C 13 34.495 0.057 7 1 . . . . 121 V CB . 16992 1 1306 . 1 1 136 136 VAL CG1 C 13 23.827 0.038 2 1 . . . . 121 V CG1 . 16992 1 1307 . 1 1 136 136 VAL CG2 C 13 23.312 0.025 3 1 . . . . 121 V CG2 . 16992 1 1308 . 1 1 136 136 VAL N N 15 124.671 0.009 4 1 . . . . 121 V N . 16992 1 1309 . 1 1 137 137 TRP H H 1 8.580 0.005 6 1 . . . . 122 W HN . 16992 1 1310 . 1 1 137 137 TRP HA H 1 5.859 0.008 10 1 . . . . 122 W HA . 16992 1 1311 . 1 1 137 137 TRP HB2 H 1 3.061 0.016 5 1 . . . . 122 W HB1 . 16992 1 1312 . 1 1 137 137 TRP HB3 H 1 2.937 0.004 3 1 . . . . 122 W HB2 . 16992 1 1313 . 1 1 137 137 TRP C C 13 177.606 0.023 2 1 . . . . 122 W CO . 16992 1 1314 . 1 1 137 137 TRP CA C 13 56.623 0.055 12 1 . . . . 122 W CA . 16992 1 1315 . 1 1 137 137 TRP CB C 13 35.705 0.055 7 1 . . . . 122 W CB . 16992 1 1316 . 1 1 137 137 TRP N N 15 128.691 0.042 4 1 . . . . 122 W N . 16992 1 1317 . 1 1 138 138 LEU H H 1 9.683 0.008 6 1 . . . . 123 L HN . 16992 1 1318 . 1 1 138 138 LEU HA H 1 5.090 0.010 14 1 . . . . 123 L HA . 16992 1 1319 . 1 1 138 138 LEU HB2 H 1 1.768 0.040 10 1 . . . . 123 L HB1 . 16992 1 1320 . 1 1 138 138 LEU HB3 H 1 1.345 0.013 7 1 . . . . 123 L HB2 . 16992 1 1321 . 1 1 138 138 LEU HD11 H 1 1.223 0.006 5 1 . . . . 123 L HD1 . 16992 1 1322 . 1 1 138 138 LEU HD12 H 1 1.223 0.006 5 1 . . . . 123 L HD1 . 16992 1 1323 . 1 1 138 138 LEU HD13 H 1 1.223 0.006 5 1 . . . . 123 L HD1 . 16992 1 1324 . 1 1 138 138 LEU HD21 H 1 1.129 0.021 5 1 . . . . 123 L HD2 . 16992 1 1325 . 1 1 138 138 LEU HD22 H 1 1.129 0.021 5 1 . . . . 123 L HD2 . 16992 1 1326 . 1 1 138 138 LEU HD23 H 1 1.129 0.021 5 1 . . . . 123 L HD2 . 16992 1 1327 . 1 1 138 138 LEU HG H 1 1.835 0.057 3 1 . . . . 123 L HG . 16992 1 1328 . 1 1 138 138 LEU C C 13 175.310 0.009 2 1 . . . . 123 L CO . 16992 1 1329 . 1 1 138 138 LEU CA C 13 55.533 0.055 12 1 . . . . 123 L CA . 16992 1 1330 . 1 1 138 138 LEU CB C 13 50.019 0.047 14 1 . . . . 123 L CB . 16992 1 1331 . 1 1 138 138 LEU CD1 C 13 28.823 0.045 6 1 . . . . 123 L CD1 . 16992 1 1332 . 1 1 138 138 LEU CD2 C 13 26.108 0.060 6 1 . . . . 123 L CD2 . 16992 1 1333 . 1 1 138 138 LEU N N 15 122.431 0.008 4 1 . . . . 123 L N . 16992 1 1334 . 1 1 139 139 VAL H H 1 8.150 0.003 4 1 . . . . 124 V HN . 16992 1 1335 . 1 1 139 139 VAL HA H 1 5.246 0.010 10 1 . . . . 124 V HA . 16992 1 1336 . 1 1 139 139 VAL HB H 1 0.891 0.018 13 1 . . . . 124 V HB . 16992 1 1337 . 1 1 139 139 VAL HG11 H 1 0.245 0.007 11 1 . . . . 124 V HG1 . 16992 1 1338 . 1 1 139 139 VAL HG12 H 1 0.245 0.007 11 1 . . . . 124 V HG1 . 16992 1 1339 . 1 1 139 139 VAL HG13 H 1 0.245 0.007 11 1 . . . . 124 V HG1 . 16992 1 1340 . 1 1 139 139 VAL HG21 H 1 0.078 0.011 11 1 . . . . 124 V HG2 . 16992 1 1341 . 1 1 139 139 VAL HG22 H 1 0.078 0.011 11 1 . . . . 124 V HG2 . 16992 1 1342 . 1 1 139 139 VAL HG23 H 1 0.078 0.011 11 1 . . . . 124 V HG2 . 16992 1 1343 . 1 1 139 139 VAL C C 13 176.143 0.022 2 1 . . . . 124 V CO . 16992 1 1344 . 1 1 139 139 VAL CA C 13 60.984 0.059 13 1 . . . . 124 V CA . 16992 1 1345 . 1 1 139 139 VAL CB C 13 35.419 0.047 12 1 . . . . 124 V CB . 16992 1 1346 . 1 1 139 139 VAL CG1 C 13 23.816 0.040 9 1 . . . . 124 V CG1 . 16992 1 1347 . 1 1 139 139 VAL CG2 C 13 23.083 0.052 10 1 . . . . 124 V CG2 . 16992 1 1348 . 1 1 139 139 VAL N N 15 119.200 0.013 4 1 . . . . 124 V N . 16992 1 1349 . 1 1 140 140 TYR H H 1 9.605 0.007 6 1 . . . . 125 Y HN . 16992 1 1350 . 1 1 140 140 TYR HA H 1 4.778 0.014 10 1 . . . . 125 Y HA . 16992 1 1351 . 1 1 140 140 TYR HB2 H 1 3.055 0.035 6 1 . . . . 125 Y HB1 . 16992 1 1352 . 1 1 140 140 TYR HB3 H 1 2.662 0.077 7 1 . . . . 125 Y HB2 . 16992 1 1353 . 1 1 140 140 TYR C C 13 176.589 0.014 2 1 . . . . 125 Y CO . 16992 1 1354 . 1 1 140 140 TYR CA C 13 58.112 0.043 9 1 . . . . 125 Y CA . 16992 1 1355 . 1 1 140 140 TYR CB C 13 43.959 0.044 5 1 . . . . 125 Y CB . 16992 1 1356 . 1 1 140 140 TYR N N 15 125.719 0.007 4 1 . . . . 125 Y N . 16992 1 1357 . 1 1 141 141 GLU H H 1 9.036 0.006 5 1 . . . . 126 E HN . 16992 1 1358 . 1 1 141 141 GLU HA H 1 4.530 0.019 6 1 . . . . 126 E HA . 16992 1 1359 . 1 1 141 141 GLU HB2 H 1 2.131 0.018 4 1 . . . . 126 E HB . 16992 1 1360 . 1 1 141 141 GLU HB3 H 1 2.131 0.018 4 1 . . . . 126 E HB . 16992 1 1361 . 1 1 141 141 GLU HG2 H 1 2.202 0.032 4 1 . . . . 126 E HG . 16992 1 1362 . 1 1 141 141 GLU HG3 H 1 2.202 0.032 4 1 . . . . 126 E HG . 16992 1 1363 . 1 1 141 141 GLU C C 13 176.049 0.023 3 1 . . . . 126 E CO . 16992 1 1364 . 1 1 141 141 GLU CA C 13 57.500 0.079 9 1 . . . . 126 E CA . 16992 1 1365 . 1 1 141 141 GLU CB C 13 33.047 0.077 3 1 . . . . 126 E CB . 16992 1 1366 . 1 1 141 141 GLU CG C 13 37.216 0.094 3 1 . . . . 126 E CG . 16992 1 1367 . 1 1 141 141 GLU N N 15 124.678 0.008 3 1 . . . . 126 E N . 16992 1 1368 . 1 1 142 142 GLN H H 1 8.562 0.005 7 1 . . . . 127 Q HN . 16992 1 1369 . 1 1 142 142 GLN HA H 1 4.582 0.008 9 1 . . . . 127 Q HA . 16992 1 1370 . 1 1 142 142 GLN HB2 H 1 2.365 0.025 3 1 . . . . 127 Q HB1 . 16992 1 1371 . 1 1 142 142 GLN HB3 H 1 1.706 0.002 2 1 . . . . 127 Q HB2 . 16992 1 1372 . 1 1 142 142 GLN HE22 H 1 7.990 0.454 2 1 . . . . 127 Q HE22 . 16992 1 1373 . 1 1 142 142 GLN HG2 H 1 2.267 0.020 4 1 . . . . 127 Q HG . 16992 1 1374 . 1 1 142 142 GLN HG3 H 1 2.267 0.020 4 1 . . . . 127 Q HG . 16992 1 1375 . 1 1 142 142 GLN C C 13 177.491 0.030 3 1 . . . . 127 Q CO . 16992 1 1376 . 1 1 142 142 GLN CA C 13 55.483 0.051 10 1 . . . . 127 Q CA . 16992 1 1377 . 1 1 142 142 GLN CB C 13 31.752 0.003 2 1 . . . . 127 Q CB . 16992 1 1378 . 1 1 142 142 GLN CG C 13 35.608 0.027 3 1 . . . . 127 Q CG . 16992 1 1379 . 1 1 142 142 GLN N N 15 123.343 0.011 4 1 . . . . 127 Q N . 16992 1 1380 . 1 1 143 143 ASP H H 1 8.902 0.007 6 1 . . . . 128 D HN . 16992 1 1381 . 1 1 143 143 ASP HA H 1 4.751 0.013 7 1 . . . . 128 D HA . 16992 1 1382 . 1 1 143 143 ASP HB2 H 1 2.791 0.015 4 1 . . . . 128 D HB1 . 16992 1 1383 . 1 1 143 143 ASP HB3 H 1 2.615 0.024 5 1 . . . . 128 D HB2 . 16992 1 1384 . 1 1 143 143 ASP C C 13 176.139 0.008 3 1 . . . . 128 D CO . 16992 1 1385 . 1 1 143 143 ASP CA C 13 55.750 0.064 6 1 . . . . 128 D CA . 16992 1 1386 . 1 1 143 143 ASP CB C 13 42.729 0.029 3 1 . . . . 128 D CB . 16992 1 1387 . 1 1 143 143 ASP N N 15 120.966 0.008 3 1 . . . . 128 D N . 16992 1 1388 . 1 1 144 144 ARG H H 1 7.850 0.005 7 1 . . . . 129 R HN . 16992 1 1389 . 1 1 144 144 ARG HA H 1 4.836 0.003 7 1 . . . . 129 R HA . 16992 1 1390 . 1 1 144 144 ARG HB2 H 1 1.969 0.004 5 1 . . . . 129 R HB1 . 16992 1 1391 . 1 1 144 144 ARG HB3 H 1 1.771 0.005 4 1 . . . . 129 R HB2 . 16992 1 1392 . 1 1 144 144 ARG HD2 H 1 3.205 0.000 2 1 . . . . 129 R HD . 16992 1 1393 . 1 1 144 144 ARG HD3 H 1 3.205 0.000 2 1 . . . . 129 R HD . 16992 1 1394 . 1 1 144 144 ARG HG2 H 1 1.527 0.011 3 1 . . . . 129 R HG1 . 16992 1 1395 . 1 1 144 144 ARG HG3 H 1 1.400 0.001 2 1 . . . . 129 R HG2 . 16992 1 1396 . 1 1 144 144 ARG CA C 13 54.780 0.055 5 1 . . . . 129 R CA . 16992 1 1397 . 1 1 144 144 ARG CB C 13 30.549 0.070 6 1 . . . . 129 R CB . 16992 1 1398 . 1 1 144 144 ARG CD C 13 44.280 0.002 3 1 . . . . 129 R CD . 16992 1 1399 . 1 1 144 144 ARG CG C 13 26.010 0.071 4 1 . . . . 129 R CG . 16992 1 1400 . 1 1 144 144 ARG N N 15 117.180 0.003 4 1 . . . . 129 R N . 16992 1 1401 . 1 1 145 145 PRO HA H 1 4.035 0.007 6 1 . . . . 130 P HA . 16992 1 1402 . 1 1 145 145 PRO HB2 H 1 2.123 0.013 8 1 . . . . 130 P HB1 . 16992 1 1403 . 1 1 145 145 PRO HB3 H 1 1.705 0.029 8 1 . . . . 130 P HB2 . 16992 1 1404 . 1 1 145 145 PRO HD2 H 1 3.700 0.009 6 1 . . . . 130 P HD1 . 16992 1 1405 . 1 1 145 145 PRO HD3 H 1 3.545 0.008 4 1 . . . . 130 P HD2 . 16992 1 1406 . 1 1 145 145 PRO HG2 H 1 2.025 0.002 2 1 . . . . 130 P HG1 . 16992 1 1407 . 1 1 145 145 PRO HG3 H 1 1.826 0.006 7 1 . . . . 130 P HG2 . 16992 1 1408 . 1 1 145 145 PRO C C 13 177.192 0.005 2 1 . . . . 130 P CO . 16992 1 1409 . 1 1 145 145 PRO CA C 13 64.207 0.044 6 1 . . . . 130 P CA . 16992 1 1410 . 1 1 145 145 PRO CB C 13 32.580 0.054 11 1 . . . . 130 P CB . 16992 1 1411 . 1 1 145 145 PRO CD C 13 51.724 0.043 4 1 . . . . 130 P CD . 16992 1 1412 . 1 1 145 145 PRO CG C 13 28.828 0.063 4 1 . . . . 130 P CG . 16992 1 1413 . 1 1 146 146 LEU H H 1 9.528 0.007 6 1 . . . . 131 L HN . 16992 1 1414 . 1 1 146 146 LEU HA H 1 4.471 0.008 11 1 . . . . 131 L HA . 16992 1 1415 . 1 1 146 146 LEU HB2 H 1 1.413 0.007 9 1 . . . . 131 L HB1 . 16992 1 1416 . 1 1 146 146 LEU HB3 H 1 1.132 0.009 9 1 . . . . 131 L HB2 . 16992 1 1417 . 1 1 146 146 LEU HD11 H 1 0.831 0.010 7 1 . . . . 131 L HD1 . 16992 1 1418 . 1 1 146 146 LEU HD12 H 1 0.831 0.010 7 1 . . . . 131 L HD1 . 16992 1 1419 . 1 1 146 146 LEU HD13 H 1 0.831 0.010 7 1 . . . . 131 L HD1 . 16992 1 1420 . 1 1 146 146 LEU HD21 H 1 0.502 0.002 6 1 . . . . 131 L HD2 . 16992 1 1421 . 1 1 146 146 LEU HD22 H 1 0.502 0.002 6 1 . . . . 131 L HD2 . 16992 1 1422 . 1 1 146 146 LEU HD23 H 1 0.502 0.002 6 1 . . . . 131 L HD2 . 16992 1 1423 . 1 1 146 146 LEU HG H 1 1.713 0.005 4 1 . . . . 131 L HG . 16992 1 1424 . 1 1 146 146 LEU C C 13 178.435 0.054 2 1 . . . . 131 L CO . 16992 1 1425 . 1 1 146 146 LEU CA C 13 55.145 0.044 10 1 . . . . 131 L CA . 16992 1 1426 . 1 1 146 146 LEU CB C 13 45.506 0.042 19 1 . . . . 131 L CB . 16992 1 1427 . 1 1 146 146 LEU CD1 C 13 23.972 0.021 6 1 . . . . 131 L CD1 . 16992 1 1428 . 1 1 146 146 LEU CD2 C 13 25.732 0.069 6 1 . . . . 131 L CD2 . 16992 1 1429 . 1 1 146 146 LEU CG C 13 28.136 0.061 5 1 . . . . 131 L CG . 16992 1 1430 . 1 1 146 146 LEU N N 15 125.257 0.011 4 1 . . . . 131 L N . 16992 1 1431 . 1 1 147 147 LYS H H 1 8.532 0.010 2 1 . . . . 132 K HN . 16992 1 1432 . 1 1 147 147 LYS HA H 1 4.491 0.012 10 1 . . . . 132 K HA . 16992 1 1433 . 1 1 147 147 LYS HB2 H 1 1.813 0.008 8 1 . . . . 132 K HB1 . 16992 1 1434 . 1 1 147 147 LYS HB3 H 1 1.623 0.010 5 1 . . . . 132 K HB2 . 16992 1 1435 . 1 1 147 147 LYS HD2 H 1 1.684 0.022 3 1 . . . . 132 K HD . 16992 1 1436 . 1 1 147 147 LYS HD3 H 1 1.684 0.022 3 1 . . . . 132 K HD . 16992 1 1437 . 1 1 147 147 LYS HE2 H 1 2.963 0.014 2 1 . . . . 132 K HE . 16992 1 1438 . 1 1 147 147 LYS HE3 H 1 2.963 0.014 2 1 . . . . 132 K HE . 16992 1 1439 . 1 1 147 147 LYS HG2 H 1 1.323 0.018 2 1 . . . . 132 K HG1 . 16992 1 1440 . 1 1 147 147 LYS HG3 H 1 1.286 0.029 6 1 . . . . 132 K HG2 . 16992 1 1441 . 1 1 147 147 LYS C C 13 176.456 0.051 3 1 . . . . 132 K CO . 16992 1 1442 . 1 1 147 147 LYS CA C 13 56.520 0.039 8 1 . . . . 132 K CA . 16992 1 1443 . 1 1 147 147 LYS CB C 13 33.644 0.025 11 1 . . . . 132 K CB . 16992 1 1444 . 1 1 147 147 LYS CD C 13 30.224 0.012 2 1 . . . . 132 K CD . 16992 1 1445 . 1 1 147 147 LYS CE C 13 43.087 0.001 2 1 . . . . 132 K CE . 16992 1 1446 . 1 1 147 147 LYS CG C 13 25.806 0.071 5 1 . . . . 132 K CG . 16992 1 1447 . 1 1 147 147 LYS N N 15 126.299 0.039 2 1 . . . . 132 K N . 16992 1 1448 . 1 1 148 148 CYS H H 1 8.737 0.008 6 1 . . . . 133 C HN . 16992 1 1449 . 1 1 148 148 CYS HA H 1 4.856 0.006 10 1 . . . . 133 C HA . 16992 1 1450 . 1 1 148 148 CYS HB2 H 1 3.782 0.007 8 1 . . . . 133 C HB1 . 16992 1 1451 . 1 1 148 148 CYS HB3 H 1 2.398 0.023 6 1 . . . . 133 C HB2 . 16992 1 1452 . 1 1 148 148 CYS C C 13 177.118 0.030 2 1 . . . . 133 C CO . 16992 1 1453 . 1 1 148 148 CYS CA C 13 60.289 0.088 12 1 . . . . 133 C CA . 16992 1 1454 . 1 1 148 148 CYS CB C 13 30.760 0.064 8 1 . . . . 133 C CB . 16992 1 1455 . 1 1 148 148 CYS N N 15 125.625 0.014 4 1 . . . . 133 C N . 16992 1 1456 . 1 1 149 149 ASP H H 1 8.196 0.007 6 1 . . . . 134 D HN . 16992 1 1457 . 1 1 149 149 ASP HA H 1 4.643 0.021 5 1 . . . . 134 D HA . 16992 1 1458 . 1 1 149 149 ASP HB2 H 1 2.912 0.025 7 1 . . . . 134 D HB1 . 16992 1 1459 . 1 1 149 149 ASP HB3 H 1 2.565 0.021 8 1 . . . . 134 D HB2 . 16992 1 1460 . 1 1 149 149 ASP C C 13 176.598 0.067 2 1 . . . . 134 D CO . 16992 1 1461 . 1 1 149 149 ASP CA C 13 54.130 0.057 8 1 . . . . 134 D CA . 16992 1 1462 . 1 1 149 149 ASP CB C 13 41.252 0.011 4 1 . . . . 134 D CB . 16992 1 1463 . 1 1 149 149 ASP N N 15 122.220 0.029 3 1 . . . . 134 D N . 16992 1 1464 . 1 1 150 150 GLU H H 1 8.771 0.010 7 1 . . . . 135 E HN . 16992 1 1465 . 1 1 150 150 GLU HA H 1 4.114 0.006 3 1 . . . . 135 E HA . 16992 1 1466 . 1 1 150 150 GLU HB2 H 1 2.038 0.007 2 1 . . . . 135 E HB . 16992 1 1467 . 1 1 150 150 GLU HB3 H 1 2.038 0.007 2 1 . . . . 135 E HB . 16992 1 1468 . 1 1 150 150 GLU CA C 13 58.539 0.024 3 1 . . . . 135 E CA . 16992 1 1469 . 1 1 150 150 GLU CB C 13 29.683 0.066 4 1 . . . . 135 E CB . 16992 1 1470 . 1 1 150 150 GLU N N 15 126.511 0.019 4 1 . . . . 135 E N . 16992 1 1471 . 1 1 151 151 PRO HA H 1 4.291 0.008 9 1 . . . . 136 P HA . 16992 1 1472 . 1 1 151 151 PRO HB2 H 1 2.019 0.012 5 1 . . . . 136 P HB1 . 16992 1 1473 . 1 1 151 151 PRO HB3 H 1 1.606 0.017 4 1 . . . . 136 P HB2 . 16992 1 1474 . 1 1 151 151 PRO HD2 H 1 3.624 0.016 4 1 . . . . 136 P HD1 . 16992 1 1475 . 1 1 151 151 PRO HD3 H 1 3.513 0.036 4 1 . . . . 136 P HD2 . 16992 1 1476 . 1 1 151 151 PRO HG2 H 1 1.825 0.039 2 1 . . . . 136 P HG1 . 16992 1 1477 . 1 1 151 151 PRO HG3 H 1 1.714 0.072 2 1 . . . . 136 P HG2 . 16992 1 1478 . 1 1 151 151 PRO C C 13 175.351 0.017 2 1 . . . . 136 P CO . 16992 1 1479 . 1 1 151 151 PRO CA C 13 63.035 0.069 10 1 . . . . 136 P CA . 16992 1 1480 . 1 1 151 151 PRO CB C 13 32.885 0.071 7 1 . . . . 136 P CB . 16992 1 1481 . 1 1 151 151 PRO CD C 13 50.915 0.051 9 1 . . . . 136 P CD . 16992 1 1482 . 1 1 151 151 PRO CG C 13 27.818 0.060 5 1 . . . . 136 P CG . 16992 1 1483 . 1 1 152 152 ILE H H 1 7.936 0.006 7 1 . . . . 137 I HN . 16992 1 1484 . 1 1 152 152 ILE HA H 1 4.820 0.013 9 1 . . . . 137 I HA . 16992 1 1485 . 1 1 152 152 ILE HB H 1 1.907 0.016 8 1 . . . . 137 I HB . 16992 1 1486 . 1 1 152 152 ILE HD11 H 1 0.823 0.004 2 1 . . . . 137 I HD1 . 16992 1 1487 . 1 1 152 152 ILE HD12 H 1 0.823 0.004 2 1 . . . . 137 I HD1 . 16992 1 1488 . 1 1 152 152 ILE HD13 H 1 0.823 0.004 2 1 . . . . 137 I HD1 . 16992 1 1489 . 1 1 152 152 ILE HG12 H 1 1.474 0.011 4 1 . . . . 137 I HG1 . 16992 1 1490 . 1 1 152 152 ILE HG13 H 1 1.474 0.011 4 1 . . . . 137 I HG1 . 16992 1 1491 . 1 1 152 152 ILE HG21 H 1 0.862 0.009 4 1 . . . . 137 I HG2 . 16992 1 1492 . 1 1 152 152 ILE HG22 H 1 0.862 0.009 4 1 . . . . 137 I HG2 . 16992 1 1493 . 1 1 152 152 ILE HG23 H 1 0.862 0.009 4 1 . . . . 137 I HG2 . 16992 1 1494 . 1 1 152 152 ILE C C 13 178.680 0.050 2 1 . . . . 137 I CO . 16992 1 1495 . 1 1 152 152 ILE CA C 13 60.158 0.040 9 1 . . . . 137 I CA . 16992 1 1496 . 1 1 152 152 ILE CB C 13 37.081 0.048 9 1 . . . . 137 I CB . 16992 1 1497 . 1 1 152 152 ILE CD1 C 13 12.287 0.041 5 1 . . . . 137 I CD1 . 16992 1 1498 . 1 1 152 152 ILE CG1 C 13 28.341 0.034 6 1 . . . . 137 I CG1 . 16992 1 1499 . 1 1 152 152 ILE CG2 C 13 18.843 0.036 4 1 . . . . 137 I CG2 . 16992 1 1500 . 1 1 152 152 ILE N N 15 119.634 0.003 4 1 . . . . 137 I N . 16992 1 1501 . 1 1 153 153 LEU H H 1 9.420 0.007 6 1 . . . . 138 L HN . 16992 1 1502 . 1 1 153 153 LEU HA H 1 4.831 0.006 11 1 . . . . 138 L HA . 16992 1 1503 . 1 1 153 153 LEU HB2 H 1 1.812 0.013 4 1 . . . . 138 L HB1 . 16992 1 1504 . 1 1 153 153 LEU HB3 H 1 1.751 0.020 5 1 . . . . 138 L HB2 . 16992 1 1505 . 1 1 153 153 LEU HD11 H 1 0.818 0.020 6 1 . . . . 138 L HD1 . 16992 1 1506 . 1 1 153 153 LEU HD12 H 1 0.818 0.020 6 1 . . . . 138 L HD1 . 16992 1 1507 . 1 1 153 153 LEU HD13 H 1 0.818 0.020 6 1 . . . . 138 L HD1 . 16992 1 1508 . 1 1 153 153 LEU HD21 H 1 0.717 0.025 8 1 . . . . 138 L HD2 . 16992 1 1509 . 1 1 153 153 LEU HD22 H 1 0.717 0.025 8 1 . . . . 138 L HD2 . 16992 1 1510 . 1 1 153 153 LEU HD23 H 1 0.717 0.025 8 1 . . . . 138 L HD2 . 16992 1 1511 . 1 1 153 153 LEU HG H 1 1.786 0.003 4 1 . . . . 138 L HG . 16992 1 1512 . 1 1 153 153 LEU C C 13 178.795 0.047 3 1 . . . . 138 L CO . 16992 1 1513 . 1 1 153 153 LEU CA C 13 54.703 0.058 8 1 . . . . 138 L CA . 16992 1 1514 . 1 1 153 153 LEU CB C 13 43.129 0.068 10 1 . . . . 138 L CB . 16992 1 1515 . 1 1 153 153 LEU CD1 C 13 26.888 0.076 6 1 . . . . 138 L CD1 . 16992 1 1516 . 1 1 153 153 LEU CD2 C 13 23.314 0.040 6 1 . . . . 138 L CD2 . 16992 1 1517 . 1 1 153 153 LEU CG C 13 27.456 0.048 4 1 . . . . 138 L CG . 16992 1 1518 . 1 1 153 153 LEU N N 15 130.046 0.023 4 1 . . . . 138 L N . 16992 1 1519 . 1 1 154 154 SER H H 1 8.829 0.003 3 1 . . . . 139 S HN . 16992 1 1520 . 1 1 154 154 SER HA H 1 4.768 0.009 9 1 . . . . 139 S HA . 16992 1 1521 . 1 1 154 154 SER HB2 H 1 4.230 0.024 5 1 . . . . 139 S HB1 . 16992 1 1522 . 1 1 154 154 SER HB3 H 1 4.002 0.010 7 1 . . . . 139 S HB2 . 16992 1 1523 . 1 1 154 154 SER C C 13 175.419 0.011 2 1 . . . . 139 S CO . 16992 1 1524 . 1 1 154 154 SER CA C 13 58.135 0.034 11 1 . . . . 139 S CA . 16992 1 1525 . 1 1 154 154 SER CB C 13 66.230 0.067 7 1 . . . . 139 S CB . 16992 1 1526 . 1 1 154 154 SER N N 15 122.930 0.036 3 1 . . . . 139 S N . 16992 1 1527 . 1 1 155 155 ASN H H 1 8.618 0.006 7 1 . . . . 140 N HN . 16992 1 1528 . 1 1 155 155 ASN HA H 1 4.466 0.007 9 1 . . . . 140 N HA . 16992 1 1529 . 1 1 155 155 ASN HB2 H 1 3.176 0.003 5 1 . . . . 140 N HB1 . 16992 1 1530 . 1 1 155 155 ASN HB3 H 1 2.145 0.003 6 1 . . . . 140 N HB2 . 16992 1 1531 . 1 1 155 155 ASN C C 13 175.420 0.012 2 1 . . . . 140 N CO . 16992 1 1532 . 1 1 155 155 ASN CA C 13 52.130 0.037 11 1 . . . . 140 N CA . 16992 1 1533 . 1 1 155 155 ASN CB C 13 38.752 0.051 9 1 . . . . 140 N CB . 16992 1 1534 . 1 1 155 155 ASN N N 15 117.049 0.010 4 1 . . . . 140 N N . 16992 1 1535 . 1 1 156 156 ARG H H 1 7.967 0.006 8 1 . . . . 141 R HN . 16992 1 1536 . 1 1 156 156 ARG HA H 1 4.703 0.013 12 1 . . . . 141 R HA . 16992 1 1537 . 1 1 156 156 ARG HB2 H 1 2.250 0.006 8 1 . . . . 141 R HB1 . 16992 1 1538 . 1 1 156 156 ARG HB3 H 1 1.536 0.010 8 1 . . . . 141 R HB2 . 16992 1 1539 . 1 1 156 156 ARG HD2 H 1 3.224 0.007 10 1 . . . . 141 R HD . 16992 1 1540 . 1 1 156 156 ARG HD3 H 1 3.224 0.007 10 1 . . . . 141 R HD . 16992 1 1541 . 1 1 156 156 ARG HG2 H 1 1.763 0.002 2 1 . . . . 141 R HG . 16992 1 1542 . 1 1 156 156 ARG HG3 H 1 1.763 0.002 2 1 . . . . 141 R HG . 16992 1 1543 . 1 1 156 156 ARG C C 13 175.310 0.034 3 1 . . . . 141 R CO . 16992 1 1544 . 1 1 156 156 ARG CA C 13 55.816 0.049 13 1 . . . . 141 R CA . 16992 1 1545 . 1 1 156 156 ARG CB C 13 31.445 0.030 13 1 . . . . 141 R CB . 16992 1 1546 . 1 1 156 156 ARG CD C 13 44.226 0.036 9 1 . . . . 141 R CD . 16992 1 1547 . 1 1 156 156 ARG CG C 13 28.324 0.022 7 1 . . . . 141 R CG . 16992 1 1548 . 1 1 156 156 ARG N N 15 115.402 0.016 4 1 . . . . 141 R N . 16992 1 1549 . 1 1 157 157 SER H H 1 6.943 0.004 7 1 . . . . 142 S HN . 16992 1 1550 . 1 1 157 157 SER HA H 1 4.923 0.010 9 1 . . . . 142 S HA . 16992 1 1551 . 1 1 157 157 SER HB2 H 1 3.897 0.015 8 1 . . . . 142 S HB1 . 16992 1 1552 . 1 1 157 157 SER HB3 H 1 3.478 0.010 9 1 . . . . 142 S HB2 . 16992 1 1553 . 1 1 157 157 SER C C 13 176.249 0.023 3 1 . . . . 142 S CO . 16992 1 1554 . 1 1 157 157 SER CA C 13 57.794 0.025 11 1 . . . . 142 S CA . 16992 1 1555 . 1 1 157 157 SER CB C 13 66.231 0.074 9 1 . . . . 142 S CB . 16992 1 1556 . 1 1 157 157 SER N N 15 110.055 0.003 3 1 . . . . 142 S N . 16992 1 1557 . 1 1 158 158 GLY H H 1 8.898 0.010 6 1 . . . . 143 G HN . 16992 1 1558 . 1 1 158 158 GLY HA2 H 1 4.351 0.003 5 1 . . . . 143 G HA1 . 16992 1 1559 . 1 1 158 158 GLY HA3 H 1 3.954 0.014 4 1 . . . . 143 G HA2 . 16992 1 1560 . 1 1 158 158 GLY C C 13 175.287 0.020 3 1 . . . . 143 G CO . 16992 1 1561 . 1 1 158 158 GLY CA C 13 45.944 0.022 6 1 . . . . 143 G CA . 16992 1 1562 . 1 1 158 158 GLY N N 15 115.315 0.012 3 1 . . . . 143 G N . 16992 1 1563 . 1 1 159 159 ASP H H 1 8.304 0.006 8 1 . . . . 144 D HN . 16992 1 1564 . 1 1 159 159 ASP HA H 1 4.197 0.018 10 1 . . . . 144 D HA . 16992 1 1565 . 1 1 159 159 ASP HB2 H 1 2.496 0.018 10 1 . . . . 144 D HB1 . 16992 1 1566 . 1 1 159 159 ASP HB3 H 1 2.178 0.021 8 1 . . . . 144 D HB2 . 16992 1 1567 . 1 1 159 159 ASP C C 13 177.518 0.032 3 1 . . . . 144 D CO . 16992 1 1568 . 1 1 159 159 ASP CA C 13 56.707 0.050 11 1 . . . . 144 D CA . 16992 1 1569 . 1 1 159 159 ASP CB C 13 41.607 0.081 7 1 . . . . 144 D CB . 16992 1 1570 . 1 1 159 159 ASP N N 15 122.487 0.011 4 1 . . . . 144 D N . 16992 1 1571 . 1 1 160 160 HIS H H 1 8.769 0.007 6 1 . . . . 145 H HN . 16992 1 1572 . 1 1 160 160 HIS HA H 1 4.275 0.014 7 1 . . . . 145 H HA . 16992 1 1573 . 1 1 160 160 HIS HB2 H 1 3.558 0.009 4 1 . . . . 145 H HB2 . 16992 1 1574 . 1 1 160 160 HIS HB3 H 1 3.490 0.029 3 1 . . . . 145 H HB3 . 16992 1 1575 . 1 1 160 160 HIS C C 13 175.587 0.029 2 1 . . . . 145 H CO . 16992 1 1576 . 1 1 160 160 HIS CA C 13 57.972 0.016 6 1 . . . . 145 H CA . 16992 1 1577 . 1 1 160 160 HIS CB C 13 27.632 0.021 3 1 . . . . 145 H CB . 16992 1 1578 . 1 1 160 160 HIS N N 15 113.317 0.018 3 1 . . . . 145 H N . 16992 1 1579 . 1 1 161 161 ARG H H 1 7.171 0.002 8 1 . . . . 146 R HN . 16992 1 1580 . 1 1 161 161 ARG HA H 1 3.683 0.007 9 1 . . . . 146 R HA . 16992 1 1581 . 1 1 161 161 ARG HB2 H 1 0.527 0.018 10 1 . . . . 146 R HB1 . 16992 1 1582 . 1 1 161 161 ARG HB3 H 1 -0.857 0.011 4 1 . . . . 146 R HB2 . 16992 1 1583 . 1 1 161 161 ARG HD2 H 1 2.122 0.009 7 1 . . . . 146 R HD1 . 16992 1 1584 . 1 1 161 161 ARG HD3 H 1 1.736 0.005 5 1 . . . . 146 R HD2 . 16992 1 1585 . 1 1 161 161 ARG HG2 H 1 0.869 0.018 5 1 . . . . 146 R HG1 . 16992 1 1586 . 1 1 161 161 ARG HG3 H 1 0.714 0.009 3 1 . . . . 146 R HG2 . 16992 1 1587 . 1 1 161 161 ARG C C 13 179.927 0.062 2 1 . . . . 146 R CO . 16992 1 1588 . 1 1 161 161 ARG CA C 13 57.597 0.043 7 1 . . . . 146 R CA . 16992 1 1589 . 1 1 161 161 ARG CB C 13 31.230 0.062 9 1 . . . . 146 R CB . 16992 1 1590 . 1 1 161 161 ARG CD C 13 43.745 0.042 8 1 . . . . 146 R CD . 16992 1 1591 . 1 1 161 161 ARG CG C 13 27.422 0.065 6 1 . . . . 146 R CG . 16992 1 1592 . 1 1 161 161 ARG N N 15 118.303 0.009 4 1 . . . . 146 R N . 16992 1 1593 . 1 1 162 162 GLY H H 1 8.284 0.005 6 1 . . . . 147 G HN . 16992 1 1594 . 1 1 162 162 GLY HA2 H 1 4.833 0.010 7 1 . . . . 147 G HA1 . 16992 1 1595 . 1 1 162 162 GLY HA3 H 1 3.825 0.026 6 1 . . . . 147 G HA2 . 16992 1 1596 . 1 1 162 162 GLY C C 13 174.739 0.017 3 1 . . . . 147 G CO . 16992 1 1597 . 1 1 162 162 GLY CA C 13 45.498 0.037 8 1 . . . . 147 G CA . 16992 1 1598 . 1 1 162 162 GLY N N 15 107.961 0.036 3 1 . . . . 147 G N . 16992 1 1599 . 1 1 163 163 LYS H H 1 8.154 0.008 7 1 . . . . 148 K HN . 16992 1 1600 . 1 1 163 163 LYS HA H 1 4.034 0.020 6 1 . . . . 148 K HA . 16992 1 1601 . 1 1 163 163 LYS HB2 H 1 2.006 0.051 6 1 . . . . 148 K HB . 16992 1 1602 . 1 1 163 163 LYS HB3 H 1 2.006 0.051 6 1 . . . . 148 K HB . 16992 1 1603 . 1 1 163 163 LYS HD2 H 1 1.825 0.015 2 1 . . . . 148 K HD . 16992 1 1604 . 1 1 163 163 LYS HD3 H 1 1.825 0.015 2 1 . . . . 148 K HD . 16992 1 1605 . 1 1 163 163 LYS HE2 H 1 3.068 0.070 3 1 . . . . 148 K HE . 16992 1 1606 . 1 1 163 163 LYS HE3 H 1 3.068 0.070 3 1 . . . . 148 K HE . 16992 1 1607 . 1 1 163 163 LYS HG2 H 1 1.580 0.001 4 1 . . . . 148 K HG1 . 16992 1 1608 . 1 1 163 163 LYS HG3 H 1 1.465 0.042 3 1 . . . . 148 K HG2 . 16992 1 1609 . 1 1 163 163 LYS C C 13 176.868 0.038 2 1 . . . . 148 K CO . 16992 1 1610 . 1 1 163 163 LYS CA C 13 58.582 0.023 7 1 . . . . 148 K CA . 16992 1 1611 . 1 1 163 163 LYS CB C 13 29.956 0.076 5 1 . . . . 148 K CB . 16992 1 1612 . 1 1 163 163 LYS CD C 13 32.795 0.033 2 1 . . . . 148 K CD . 16992 1 1613 . 1 1 163 163 LYS CE C 13 43.300 0.045 3 1 . . . . 148 K CE . 16992 1 1614 . 1 1 163 163 LYS CG C 13 26.826 0.063 5 1 . . . . 148 K CG . 16992 1 1615 . 1 1 163 163 LYS N N 15 114.990 0.032 4 1 . . . . 148 K N . 16992 1 1616 . 1 1 164 164 PHE H H 1 9.804 0.004 8 1 . . . . 149 F HN . 16992 1 1617 . 1 1 164 164 PHE HA H 1 4.361 0.013 8 1 . . . . 149 F HA . 16992 1 1618 . 1 1 164 164 PHE HB2 H 1 3.017 0.018 5 1 . . . . 149 F HB1 . 16992 1 1619 . 1 1 164 164 PHE HB3 H 1 2.738 0.009 5 1 . . . . 149 F HB2 . 16992 1 1620 . 1 1 164 164 PHE C C 13 175.410 0.013 3 1 . . . . 149 F CO . 16992 1 1621 . 1 1 164 164 PHE CA C 13 58.409 0.042 9 1 . . . . 149 F CA . 16992 1 1622 . 1 1 164 164 PHE CB C 13 42.328 0.023 6 1 . . . . 149 F CB . 16992 1 1623 . 1 1 164 164 PHE N N 15 123.867 0.032 4 1 . . . . 149 F N . 16992 1 1624 . 1 1 165 165 LYS H H 1 7.287 0.006 6 1 . . . . 150 K HN . 16992 1 1625 . 1 1 165 165 LYS HA H 1 4.655 0.008 11 1 . . . . 150 K HA . 16992 1 1626 . 1 1 165 165 LYS HB2 H 1 1.622 0.009 6 1 . . . . 150 K HB . 16992 1 1627 . 1 1 165 165 LYS HB3 H 1 1.622 0.009 6 1 . . . . 150 K HB . 16992 1 1628 . 1 1 165 165 LYS HD2 H 1 1.785 0.022 2 1 . . . . 150 K HD1 . 16992 1 1629 . 1 1 165 165 LYS HD3 H 1 1.762 0.027 2 1 . . . . 150 K HD2 . 16992 1 1630 . 1 1 165 165 LYS HE2 H 1 3.021 0.002 3 1 . . . . 150 K HE . 16992 1 1631 . 1 1 165 165 LYS HE3 H 1 3.021 0.002 3 1 . . . . 150 K HE . 16992 1 1632 . 1 1 165 165 LYS HG2 H 1 1.424 0.020 2 1 . . . . 150 K HG . 16992 1 1633 . 1 1 165 165 LYS HG3 H 1 1.424 0.020 2 1 . . . . 150 K HG . 16992 1 1634 . 1 1 165 165 LYS C C 13 177.527 0.025 2 1 . . . . 150 K CO . 16992 1 1635 . 1 1 165 165 LYS CA C 13 54.855 0.029 8 1 . . . . 150 K CA . 16992 1 1636 . 1 1 165 165 LYS CB C 13 35.455 0.022 7 1 . . . . 150 K CB . 16992 1 1637 . 1 1 165 165 LYS CD C 13 29.829 0.015 3 1 . . . . 150 K CD . 16992 1 1638 . 1 1 165 165 LYS CE C 13 43.501 0.011 2 1 . . . . 150 K CE . 16992 1 1639 . 1 1 165 165 LYS CG C 13 25.883 0.021 3 1 . . . . 150 K CG . 16992 1 1640 . 1 1 165 165 LYS N N 15 124.630 0.010 4 1 . . . . 150 K N . 16992 1 1641 . 1 1 166 166 VAL H H 1 10.071 0.004 4 1 . . . . 151 V HN . 16992 1 1642 . 1 1 166 166 VAL HA H 1 3.819 0.011 14 1 . . . . 151 V HA . 16992 1 1643 . 1 1 166 166 VAL HB H 1 2.437 0.006 10 1 . . . . 151 V HB . 16992 1 1644 . 1 1 166 166 VAL HG11 H 1 1.471 0.005 6 1 . . . . 151 V HG1 . 16992 1 1645 . 1 1 166 166 VAL HG12 H 1 1.471 0.005 6 1 . . . . 151 V HG1 . 16992 1 1646 . 1 1 166 166 VAL HG13 H 1 1.471 0.005 6 1 . . . . 151 V HG1 . 16992 1 1647 . 1 1 166 166 VAL HG21 H 1 1.328 0.010 8 1 . . . . 151 V HG2 . 16992 1 1648 . 1 1 166 166 VAL HG22 H 1 1.328 0.010 8 1 . . . . 151 V HG2 . 16992 1 1649 . 1 1 166 166 VAL HG23 H 1 1.328 0.010 8 1 . . . . 151 V HG2 . 16992 1 1650 . 1 1 166 166 VAL C C 13 176.604 0.024 3 1 . . . . 151 V CO . 16992 1 1651 . 1 1 166 166 VAL CA C 13 67.034 0.056 11 1 . . . . 151 V CA . 16992 1 1652 . 1 1 166 166 VAL CB C 13 32.212 0.070 10 1 . . . . 151 V CB . 16992 1 1653 . 1 1 166 166 VAL CG1 C 13 25.821 0.064 7 1 . . . . 151 V CG1 . 16992 1 1654 . 1 1 166 166 VAL CG2 C 13 22.805 0.021 8 1 . . . . 151 V CG2 . 16992 1 1655 . 1 1 166 166 VAL N N 15 132.176 0.024 2 1 . . . . 151 V N . 16992 1 1656 . 1 1 167 167 ALA H H 1 9.741 0.009 7 1 . . . . 152 A HN . 16992 1 1657 . 1 1 167 167 ALA HA H 1 4.194 0.006 4 1 . . . . 152 A HA . 16992 1 1658 . 1 1 167 167 ALA HB1 H 1 1.481 0.014 8 1 . . . . 152 A HB . 16992 1 1659 . 1 1 167 167 ALA HB2 H 1 1.481 0.014 8 1 . . . . 152 A HB . 16992 1 1660 . 1 1 167 167 ALA HB3 H 1 1.481 0.014 8 1 . . . . 152 A HB . 16992 1 1661 . 1 1 167 167 ALA C C 13 181.233 0.066 3 1 . . . . 152 A CO . 16992 1 1662 . 1 1 167 167 ALA CA C 13 56.109 0.050 8 1 . . . . 152 A CA . 16992 1 1663 . 1 1 167 167 ALA CB C 13 19.521 0.055 4 1 . . . . 152 A CB . 16992 1 1664 . 1 1 167 167 ALA N N 15 124.831 0.020 3 1 . . . . 152 A N . 16992 1 1665 . 1 1 168 168 SER H H 1 6.753 0.011 9 1 . . . . 153 S HN . 16992 1 1666 . 1 1 168 168 SER HA H 1 4.179 0.011 10 1 . . . . 153 S HA . 16992 1 1667 . 1 1 168 168 SER HB2 H 1 3.853 0.014 7 1 . . . . 153 S HB . 16992 1 1668 . 1 1 168 168 SER HB3 H 1 3.853 0.014 7 1 . . . . 153 S HB . 16992 1 1669 . 1 1 168 168 SER C C 13 177.548 0.049 2 1 . . . . 153 S CO . 16992 1 1670 . 1 1 168 168 SER CA C 13 62.232 0.052 11 1 . . . . 153 S CA . 16992 1 1671 . 1 1 168 168 SER CB C 13 63.520 0.063 4 1 . . . . 153 S CB . 16992 1 1672 . 1 1 168 168 SER N N 15 111.394 0.015 3 1 . . . . 153 S N . 16992 1 1673 . 1 1 169 169 PHE H H 1 8.085 0.008 7 1 . . . . 154 F HN . 16992 1 1674 . 1 1 169 169 PHE HA H 1 3.946 0.007 6 1 . . . . 154 F HA . 16992 1 1675 . 1 1 169 169 PHE HB2 H 1 2.912 0.036 8 1 . . . . 154 F HB . 16992 1 1676 . 1 1 169 169 PHE HB3 H 1 2.912 0.036 8 1 . . . . 154 F HB . 16992 1 1677 . 1 1 169 169 PHE C C 13 177.133 0.037 3 1 . . . . 154 F CO . 16992 1 1678 . 1 1 169 169 PHE CA C 13 62.957 0.042 8 1 . . . . 154 F CA . 16992 1 1679 . 1 1 169 169 PHE CB C 13 40.571 0.043 6 1 . . . . 154 F CB . 16992 1 1680 . 1 1 169 169 PHE N N 15 126.335 0.003 3 1 . . . . 154 F N . 16992 1 1681 . 1 1 170 170 ARG H H 1 9.029 0.008 6 1 . . . . 155 R HN . 16992 1 1682 . 1 1 170 170 ARG HA H 1 3.673 0.028 8 1 . . . . 155 R HA . 16992 1 1683 . 1 1 170 170 ARG HB2 H 1 1.192 0.023 4 1 . . . . 155 R HB . 16992 1 1684 . 1 1 170 170 ARG HB3 H 1 1.192 0.023 4 1 . . . . 155 R HB . 16992 1 1685 . 1 1 170 170 ARG HD2 H 1 2.726 0.024 5 1 . . . . 155 R HD . 16992 1 1686 . 1 1 170 170 ARG HD3 H 1 2.726 0.024 5 1 . . . . 155 R HD . 16992 1 1687 . 1 1 170 170 ARG HG2 H 1 2.290 0.005 4 1 . . . . 155 R HG . 16992 1 1688 . 1 1 170 170 ARG HG3 H 1 2.290 0.005 4 1 . . . . 155 R HG . 16992 1 1689 . 1 1 170 170 ARG C C 13 179.399 0.032 3 1 . . . . 155 R CO . 16992 1 1690 . 1 1 170 170 ARG CA C 13 59.663 0.073 8 1 . . . . 155 R CA . 16992 1 1691 . 1 1 170 170 ARG CB C 13 28.081 0.057 4 1 . . . . 155 R CB . 16992 1 1692 . 1 1 170 170 ARG CG C 13 25.898 0.097 3 1 . . . . 155 R CG . 16992 1 1693 . 1 1 170 170 ARG N N 15 118.544 0.009 4 1 . . . . 155 R N . 16992 1 1694 . 1 1 171 171 LYS H H 1 7.549 0.007 7 1 . . . . 156 K HN . 16992 1 1695 . 1 1 171 171 LYS HA H 1 4.040 0.007 4 1 . . . . 156 K HA . 16992 1 1696 . 1 1 171 171 LYS HB2 H 1 1.794 0.013 6 1 . . . . 156 K HB . 16992 1 1697 . 1 1 171 171 LYS HB3 H 1 1.794 0.013 6 1 . . . . 156 K HB . 16992 1 1698 . 1 1 171 171 LYS HD2 H 1 1.562 0.027 3 1 . . . . 156 K HD . 16992 1 1699 . 1 1 171 171 LYS HD3 H 1 1.562 0.027 3 1 . . . . 156 K HD . 16992 1 1700 . 1 1 171 171 LYS HE2 H 1 2.847 0.006 6 1 . . . . 156 K HE1 . 16992 1 1701 . 1 1 171 171 LYS HE3 H 1 2.768 0.003 6 1 . . . . 156 K HE2 . 16992 1 1702 . 1 1 171 171 LYS HG2 H 1 1.361 0.005 3 1 . . . . 156 K HG1 . 16992 1 1703 . 1 1 171 171 LYS HG3 H 1 1.624 0.017 5 1 . . . . 156 K HG2 . 16992 1 1704 . 1 1 171 171 LYS C C 13 181.311 0.077 3 1 . . . . 156 K CO . 16992 1 1705 . 1 1 171 171 LYS CA C 13 61.412 0.045 7 1 . . . . 156 K CA . 16992 1 1706 . 1 1 171 171 LYS CB C 13 33.614 0.074 8 1 . . . . 156 K CB . 16992 1 1707 . 1 1 171 171 LYS CD C 13 30.519 0.009 3 1 . . . . 156 K CD . 16992 1 1708 . 1 1 171 171 LYS CE C 13 43.158 0.040 5 1 . . . . 156 K CE . 16992 1 1709 . 1 1 171 171 LYS CG C 13 28.409 0.021 7 1 . . . . 156 K CG . 16992 1 1710 . 1 1 171 171 LYS N N 15 121.213 0.007 4 1 . . . . 156 K N . 16992 1 1711 . 1 1 172 172 LYS H H 1 7.953 0.008 8 1 . . . . 157 K HN . 16992 1 1712 . 1 1 172 172 LYS HA H 1 3.706 0.011 7 1 . . . . 157 K HA . 16992 1 1713 . 1 1 172 172 LYS HB2 H 1 1.843 0.010 2 1 . . . . 157 K HB1 . 16992 1 1714 . 1 1 172 172 LYS HB3 H 1 1.601 0.026 3 1 . . . . 157 K HB2 . 16992 1 1715 . 1 1 172 172 LYS HD2 H 1 1.102 0.072 2 1 . . . . 157 K HD . 16992 1 1716 . 1 1 172 172 LYS HD3 H 1 1.102 0.072 2 1 . . . . 157 K HD . 16992 1 1717 . 1 1 172 172 LYS HE2 H 1 2.642 0.009 2 1 . . . . 157 K HE . 16992 1 1718 . 1 1 172 172 LYS HE3 H 1 2.642 0.009 2 1 . . . . 157 K HE . 16992 1 1719 . 1 1 172 172 LYS HG2 H 1 0.869 0.006 4 1 . . . . 157 K HG . 16992 1 1720 . 1 1 172 172 LYS HG3 H 1 0.869 0.006 4 1 . . . . 157 K HG . 16992 1 1721 . 1 1 172 172 LYS HZ1 H 1 6.760 0.005 2 1 . . . . 157 K HZ . 16992 1 1722 . 1 1 172 172 LYS HZ2 H 1 6.760 0.005 2 1 . . . . 157 K HZ . 16992 1 1723 . 1 1 172 172 LYS HZ3 H 1 6.760 0.005 2 1 . . . . 157 K HZ . 16992 1 1724 . 1 1 172 172 LYS C C 13 178.511 0.050 3 1 . . . . 157 K CO . 16992 1 1725 . 1 1 172 172 LYS CA C 13 60.329 0.052 7 1 . . . . 157 K CA . 16992 1 1726 . 1 1 172 172 LYS CB C 13 32.649 0.075 4 1 . . . . 157 K CB . 16992 1 1727 . 1 1 172 172 LYS CD C 13 31.629 0.033 3 1 . . . . 157 K CD . 16992 1 1728 . 1 1 172 172 LYS CE C 13 42.628 0.063 2 1 . . . . 157 K CE . 16992 1 1729 . 1 1 172 172 LYS CG C 13 25.453 0.038 3 1 . . . . 157 K CG . 16992 1 1730 . 1 1 172 172 LYS N N 15 126.304 0.025 4 1 . . . . 157 K N . 16992 1 1731 . 1 1 173 173 TYR H H 1 6.481 0.003 9 1 . . . . 158 Y HN . 16992 1 1732 . 1 1 173 173 TYR HA H 1 4.304 0.007 10 1 . . . . 158 Y HA . 16992 1 1733 . 1 1 173 173 TYR HB2 H 1 3.385 0.003 6 1 . . . . 158 Y HB1 . 16992 1 1734 . 1 1 173 173 TYR HB3 H 1 1.851 0.014 5 1 . . . . 158 Y HB2 . 16992 1 1735 . 1 1 173 173 TYR C C 13 173.941 0.003 2 1 . . . . 158 Y CO . 16992 1 1736 . 1 1 173 173 TYR CA C 13 60.276 0.070 11 1 . . . . 158 Y CA . 16992 1 1737 . 1 1 173 173 TYR CB C 13 38.821 0.068 7 1 . . . . 158 Y CB . 16992 1 1738 . 1 1 173 173 TYR N N 15 115.066 0.007 4 1 . . . . 158 Y N . 16992 1 1739 . 1 1 174 174 GLU H H 1 7.727 0.004 8 1 . . . . 159 E HN . 16992 1 1740 . 1 1 174 174 GLU HA H 1 3.797 0.010 5 1 . . . . 159 E HA . 16992 1 1741 . 1 1 174 174 GLU HB2 H 1 2.212 0.007 4 1 . . . . 159 E HB . 16992 1 1742 . 1 1 174 174 GLU HB3 H 1 2.212 0.007 4 1 . . . . 159 E HB . 16992 1 1743 . 1 1 174 174 GLU C C 13 176.192 0.036 2 1 . . . . 159 E CO . 16992 1 1744 . 1 1 174 174 GLU CA C 13 58.034 0.029 6 1 . . . . 159 E CA . 16992 1 1745 . 1 1 174 174 GLU CB C 13 26.657 0.026 2 1 . . . . 159 E CB . 16992 1 1746 . 1 1 174 174 GLU N N 15 113.436 0.025 4 1 . . . . 159 E N . 16992 1 1747 . 1 1 175 175 LEU H H 1 8.403 0.005 7 1 . . . . 160 L HN . 16992 1 1748 . 1 1 175 175 LEU HA H 1 4.628 0.015 7 1 . . . . 160 L HA . 16992 1 1749 . 1 1 175 175 LEU HB2 H 1 1.353 0.025 2 1 . . . . 160 L HB . 16992 1 1750 . 1 1 175 175 LEU HB3 H 1 1.353 0.025 2 1 . . . . 160 L HB . 16992 1 1751 . 1 1 175 175 LEU HD11 H 1 0.974 0.006 4 1 . . . . 160 L HD1 . 16992 1 1752 . 1 1 175 175 LEU HD12 H 1 0.974 0.006 4 1 . . . . 160 L HD1 . 16992 1 1753 . 1 1 175 175 LEU HD13 H 1 0.974 0.006 4 1 . . . . 160 L HD1 . 16992 1 1754 . 1 1 175 175 LEU HD21 H 1 0.696 0.009 4 1 . . . . 160 L HD2 . 16992 1 1755 . 1 1 175 175 LEU HD22 H 1 0.696 0.009 4 1 . . . . 160 L HD2 . 16992 1 1756 . 1 1 175 175 LEU HD23 H 1 0.696 0.009 4 1 . . . . 160 L HD2 . 16992 1 1757 . 1 1 175 175 LEU HG H 1 1.686 0.010 4 1 . . . . 160 L HG . 16992 1 1758 . 1 1 175 175 LEU C C 13 179.356 0.054 2 1 . . . . 160 L CO . 16992 1 1759 . 1 1 175 175 LEU CA C 13 54.925 0.067 7 1 . . . . 160 L CA . 16992 1 1760 . 1 1 175 175 LEU CB C 13 42.209 0.060 7 1 . . . . 160 L CB . 16992 1 1761 . 1 1 175 175 LEU CD1 C 13 24.462 0.073 4 1 . . . . 160 L CD1 . 16992 1 1762 . 1 1 175 175 LEU CD2 C 13 24.753 0.031 2 1 . . . . 160 L CD2 . 16992 1 1763 . 1 1 175 175 LEU CG C 13 27.880 0.043 3 1 . . . . 160 L CG . 16992 1 1764 . 1 1 175 175 LEU N N 15 118.971 0.008 4 1 . . . . 160 L N . 16992 1 1765 . 1 1 176 176 ARG H H 1 9.069 0.009 6 1 . . . . 161 R HN . 16992 1 1766 . 1 1 176 176 ARG HA H 1 4.152 0.010 7 1 . . . . 161 R HA . 16992 1 1767 . 1 1 176 176 ARG HB2 H 1 2.142 0.015 4 1 . . . . 161 R HB1 . 16992 1 1768 . 1 1 176 176 ARG HB3 H 1 1.873 0.021 4 1 . . . . 161 R HB2 . 16992 1 1769 . 1 1 176 176 ARG HD2 H 1 3.329 0.016 4 1 . . . . 161 R HD1 . 16992 1 1770 . 1 1 176 176 ARG HD3 H 1 3.175 0.001 2 1 . . . . 161 R HD2 . 16992 1 1771 . 1 1 176 176 ARG HG2 H 1 1.657 0.012 3 1 . . . . 161 R HG . 16992 1 1772 . 1 1 176 176 ARG HG3 H 1 1.657 0.012 3 1 . . . . 161 R HG . 16992 1 1773 . 1 1 176 176 ARG C C 13 174.183 0.013 3 1 . . . . 161 R CO . 16992 1 1774 . 1 1 176 176 ARG CA C 13 56.764 0.059 7 1 . . . . 161 R CA . 16992 1 1775 . 1 1 176 176 ARG CB C 13 32.183 0.060 4 1 . . . . 161 R CB . 16992 1 1776 . 1 1 176 176 ARG CD C 13 44.231 0.022 5 1 . . . . 161 R CD . 16992 1 1777 . 1 1 176 176 ARG CG C 13 29.723 0.072 3 1 . . . . 161 R CG . 16992 1 1778 . 1 1 176 176 ARG N N 15 124.519 0.026 3 1 . . . . 161 R N . 16992 1 1779 . 1 1 177 177 ALA H H 1 7.570 0.005 5 1 . . . . 162 A HN . 16992 1 1780 . 1 1 177 177 ALA HA H 1 4.126 0.002 3 1 . . . . 162 A HA . 16992 1 1781 . 1 1 177 177 ALA HB1 H 1 1.249 0.003 4 1 . . . . 162 A HB . 16992 1 1782 . 1 1 177 177 ALA HB2 H 1 1.249 0.003 4 1 . . . . 162 A HB . 16992 1 1783 . 1 1 177 177 ALA HB3 H 1 1.249 0.003 4 1 . . . . 162 A HB . 16992 1 1784 . 1 1 177 177 ALA CA C 13 52.625 0.052 5 1 . . . . 162 A CA . 16992 1 1785 . 1 1 177 177 ALA CB C 13 17.932 0.054 3 1 . . . . 162 A CB . 16992 1 1786 . 1 1 177 177 ALA N N 15 118.330 0.006 3 1 . . . . 162 A N . 16992 1 1787 . 1 1 178 178 PRO HA H 1 3.869 0.015 6 1 . . . . 163 P HA . 16992 1 1788 . 1 1 178 178 PRO HB2 H 1 1.434 0.001 3 1 . . . . 163 P HB1 . 16992 1 1789 . 1 1 178 178 PRO HB3 H 1 1.240 0.016 6 1 . . . . 163 P HB2 . 16992 1 1790 . 1 1 178 178 PRO HD2 H 1 3.062 0.004 3 1 . . . . 163 P HD . 16992 1 1791 . 1 1 178 178 PRO HD3 H 1 3.062 0.004 3 1 . . . . 163 P HD . 16992 1 1792 . 1 1 178 178 PRO HG2 H 1 1.883 0.005 5 1 . . . . 163 P HG1 . 16992 1 1793 . 1 1 178 178 PRO HG3 H 1 1.795 0.029 4 1 . . . . 163 P HG2 . 16992 1 1794 . 1 1 178 178 PRO C C 13 178.544 0.056 2 1 . . . . 163 P CO . 16992 1 1795 . 1 1 178 178 PRO CA C 13 65.445 0.048 9 1 . . . . 163 P CA . 16992 1 1796 . 1 1 178 178 PRO CB C 13 32.091 0.053 5 1 . . . . 163 P CB . 16992 1 1797 . 1 1 178 178 PRO CD C 13 51.303 0.046 6 1 . . . . 163 P CD . 16992 1 1798 . 1 1 178 178 PRO CG C 13 29.126 0.046 7 1 . . . . 163 P CG . 16992 1 1799 . 1 1 179 179 VAL H H 1 8.441 0.006 7 1 . . . . 164 V HN . 16992 1 1800 . 1 1 179 179 VAL HA H 1 4.204 0.010 11 1 . . . . 164 V HA . 16992 1 1801 . 1 1 179 179 VAL HB H 1 2.333 0.006 13 1 . . . . 164 V HB . 16992 1 1802 . 1 1 179 179 VAL HG11 H 1 1.064 0.017 8 1 . . . . 164 V HG1 . 16992 1 1803 . 1 1 179 179 VAL HG12 H 1 1.064 0.017 8 1 . . . . 164 V HG1 . 16992 1 1804 . 1 1 179 179 VAL HG13 H 1 1.064 0.017 8 1 . . . . 164 V HG1 . 16992 1 1805 . 1 1 179 179 VAL HG21 H 1 0.945 0.024 8 1 . . . . 164 V HG2 . 16992 1 1806 . 1 1 179 179 VAL HG22 H 1 0.945 0.024 8 1 . . . . 164 V HG2 . 16992 1 1807 . 1 1 179 179 VAL HG23 H 1 0.945 0.024 8 1 . . . . 164 V HG2 . 16992 1 1808 . 1 1 179 179 VAL C C 13 176.025 0.028 2 1 . . . . 164 V CO . 16992 1 1809 . 1 1 179 179 VAL CA C 13 63.815 0.055 8 1 . . . . 164 V CA . 16992 1 1810 . 1 1 179 179 VAL CB C 13 33.405 0.073 10 1 . . . . 164 V CB . 16992 1 1811 . 1 1 179 179 VAL CG1 C 13 22.935 0.020 3 1 . . . . 164 V CG1 . 16992 1 1812 . 1 1 179 179 VAL CG2 C 13 22.760 0.070 6 1 . . . . 164 V CG2 . 16992 1 1813 . 1 1 179 179 VAL N N 15 121.596 0.026 3 1 . . . . 164 V N . 16992 1 1814 . 1 1 180 180 ALA H H 1 7.390 0.005 7 1 . . . . 165 A HN . 16992 1 1815 . 1 1 180 180 ALA HA H 1 5.742 0.010 11 1 . . . . 165 A HA . 16992 1 1816 . 1 1 180 180 ALA HB1 H 1 0.422 0.011 10 1 . . . . 165 A HB . 16992 1 1817 . 1 1 180 180 ALA HB2 H 1 0.422 0.011 10 1 . . . . 165 A HB . 16992 1 1818 . 1 1 180 180 ALA HB3 H 1 0.422 0.011 10 1 . . . . 165 A HB . 16992 1 1819 . 1 1 180 180 ALA C C 13 176.644 0.015 2 1 . . . . 165 A CO . 16992 1 1820 . 1 1 180 180 ALA CA C 13 51.164 0.053 10 1 . . . . 165 A CA . 16992 1 1821 . 1 1 180 180 ALA CB C 13 22.940 0.073 7 1 . . . . 165 A CB . 16992 1 1822 . 1 1 180 180 ALA N N 15 119.893 0.002 3 1 . . . . 165 A N . 16992 1 1823 . 1 1 181 181 GLY H H 1 7.407 0.006 5 1 . . . . 166 G HN . 16992 1 1824 . 1 1 181 181 GLY HA2 H 1 4.599 0.013 7 1 . . . . 166 G HA1 . 16992 1 1825 . 1 1 181 181 GLY HA3 H 1 4.192 0.010 7 1 . . . . 166 G HA2 . 16992 1 1826 . 1 1 181 181 GLY C C 13 173.342 0.022 3 1 . . . . 166 G CO . 16992 1 1827 . 1 1 181 181 GLY CA C 13 48.158 0.031 10 1 . . . . 166 G CA . 16992 1 1828 . 1 1 181 181 GLY N N 15 104.604 0.012 3 1 . . . . 166 G N . 16992 1 1829 . 1 1 182 182 THR H H 1 9.760 0.010 7 1 . . . . 167 T HN . 16992 1 1830 . 1 1 182 182 THR HA H 1 4.788 0.013 11 1 . . . . 167 T HA . 16992 1 1831 . 1 1 182 182 THR HB H 1 4.880 0.020 7 1 . . . . 167 T HB . 16992 1 1832 . 1 1 182 182 THR HG21 H 1 1.345 0.008 8 1 . . . . 167 T HG2 . 16992 1 1833 . 1 1 182 182 THR HG22 H 1 1.345 0.008 8 1 . . . . 167 T HG2 . 16992 1 1834 . 1 1 182 182 THR HG23 H 1 1.345 0.008 8 1 . . . . 167 T HG2 . 16992 1 1835 . 1 1 182 182 THR C C 13 172.644 0.011 2 1 . . . . 167 T CO . 16992 1 1836 . 1 1 182 182 THR CA C 13 62.366 0.033 12 1 . . . . 167 T CA . 16992 1 1837 . 1 1 182 182 THR CB C 13 68.758 0.090 9 1 . . . . 167 T CB . 16992 1 1838 . 1 1 182 182 THR CG2 C 13 21.887 0.043 7 1 . . . . 167 T CG2 . 16992 1 1839 . 1 1 182 182 THR N N 15 113.842 0.069 4 1 . . . . 167 T N . 16992 1 1840 . 1 1 183 183 CYS H H 1 8.926 0.007 7 1 . . . . 168 C HN . 16992 1 1841 . 1 1 183 183 CYS HA H 1 5.969 0.019 13 1 . . . . 168 C HA . 16992 1 1842 . 1 1 183 183 CYS HB2 H 1 2.974 0.014 10 1 . . . . 168 C HB1 . 16992 1 1843 . 1 1 183 183 CYS HB3 H 1 2.127 0.022 9 1 . . . . 168 C HB2 . 16992 1 1844 . 1 1 183 183 CYS C C 13 174.881 0.018 3 1 . . . . 168 C CO . 16992 1 1845 . 1 1 183 183 CYS CA C 13 57.231 0.046 10 1 . . . . 168 C CA . 16992 1 1846 . 1 1 183 183 CYS CB C 13 32.164 0.055 11 1 . . . . 168 C CB . 16992 1 1847 . 1 1 183 183 CYS N N 15 122.011 0.023 3 1 . . . . 168 C N . 16992 1 1848 . 1 1 184 184 TYR H H 1 9.234 0.011 7 1 . . . . 169 Y HN . 16992 1 1849 . 1 1 184 184 TYR HA H 1 5.644 0.017 13 1 . . . . 169 Y HA . 16992 1 1850 . 1 1 184 184 TYR HB2 H 1 3.854 0.008 6 1 . . . . 169 Y HB1 . 16992 1 1851 . 1 1 184 184 TYR HB3 H 1 3.020 0.015 5 1 . . . . 169 Y HB2 . 16992 1 1852 . 1 1 184 184 TYR C C 13 173.498 0.014 2 1 . . . . 169 Y CO . 16992 1 1853 . 1 1 184 184 TYR CA C 13 56.861 0.074 12 1 . . . . 169 Y CA . 16992 1 1854 . 1 1 184 184 TYR CB C 13 42.962 0.040 9 1 . . . . 169 Y CB . 16992 1 1855 . 1 1 184 184 TYR N N 15 127.537 0.011 4 1 . . . . 169 Y N . 16992 1 1856 . 1 1 185 185 GLN H H 1 9.353 0.005 3 1 . . . . 170 Q HN . 16992 1 1857 . 1 1 185 185 GLN HA H 1 5.953 0.023 14 1 . . . . 170 Q HA . 16992 1 1858 . 1 1 185 185 GLN HB2 H 1 2.119 0.036 8 1 . . . . 170 Q HB1 . 16992 1 1859 . 1 1 185 185 GLN HB3 H 1 1.719 0.026 5 1 . . . . 170 Q HB2 . 16992 1 1860 . 1 1 185 185 GLN HE21 H 1 6.792 0.001 2 1 . . . . 170 Q HE21 . 16992 1 1861 . 1 1 185 185 GLN HG2 H 1 1.792 0.012 4 1 . . . . 170 Q HG . 16992 1 1862 . 1 1 185 185 GLN HG3 H 1 1.792 0.012 4 1 . . . . 170 Q HG . 16992 1 1863 . 1 1 185 185 GLN C C 13 175.677 0.012 3 1 . . . . 170 Q CO . 16992 1 1864 . 1 1 185 185 GLN CA C 13 54.770 0.074 13 1 . . . . 170 Q CA . 16992 1 1865 . 1 1 185 185 GLN CB C 13 37.745 0.067 6 1 . . . . 170 Q CB . 16992 1 1866 . 1 1 185 185 GLN N N 15 120.415 0.052 3 1 . . . . 170 Q N . 16992 1 1867 . 1 1 186 186 ALA H H 1 8.459 0.010 5 1 . . . . 171 A HN . 16992 1 1868 . 1 1 186 186 ALA HA H 1 5.207 0.016 6 1 . . . . 171 A HA . 16992 1 1869 . 1 1 186 186 ALA HB1 H 1 1.297 0.018 8 1 . . . . 171 A HB . 16992 1 1870 . 1 1 186 186 ALA HB2 H 1 1.297 0.018 8 1 . . . . 171 A HB . 16992 1 1871 . 1 1 186 186 ALA HB3 H 1 1.297 0.018 8 1 . . . . 171 A HB . 16992 1 1872 . 1 1 186 186 ALA C C 13 176.442 0.016 2 1 . . . . 171 A CO . 16992 1 1873 . 1 1 186 186 ALA CA C 13 53.645 0.031 7 1 . . . . 171 A CA . 16992 1 1874 . 1 1 186 186 ALA CB C 13 23.538 0.064 6 1 . . . . 171 A CB . 16992 1 1875 . 1 1 186 186 ALA N N 15 118.724 0.019 4 1 . . . . 171 A N . 16992 1 1876 . 1 1 187 187 GLU H H 1 8.982 0.011 4 1 . . . . 172 E HN . 16992 1 1877 . 1 1 187 187 GLU HA H 1 4.983 0.019 6 1 . . . . 172 E HA . 16992 1 1878 . 1 1 187 187 GLU HB2 H 1 2.247 0.000 2 1 . . . . 172 E HB . 16992 1 1879 . 1 1 187 187 GLU HB3 H 1 2.247 0.000 2 1 . . . . 172 E HB . 16992 1 1880 . 1 1 187 187 GLU HG2 H 1 3.022 0.004 2 1 . . . . 172 E HG1 . 16992 1 1881 . 1 1 187 187 GLU HG3 H 1 2.461 0.004 4 1 . . . . 172 E HG2 . 16992 1 1882 . 1 1 187 187 GLU C C 13 175.130 0.004 2 1 . . . . 172 E CO . 16992 1 1883 . 1 1 187 187 GLU CA C 13 54.311 0.043 5 1 . . . . 172 E CA . 16992 1 1884 . 1 1 187 187 GLU CB C 13 34.449 0.116 2 1 . . . . 172 E CB . 16992 1 1885 . 1 1 187 187 GLU CG C 13 44.336 0.034 7 1 . . . . 172 E CG . 16992 1 1886 . 1 1 187 187 GLU N N 15 120.052 0.004 2 1 . . . . 172 E N . 16992 1 1887 . 1 1 188 188 TRP H H 1 8.237 0.004 4 1 . . . . 173 W HN . 16992 1 1888 . 1 1 188 188 TRP HA H 1 3.726 0.013 7 1 . . . . 173 W HA . 16992 1 1889 . 1 1 188 188 TRP HB2 H 1 3.182 0.010 6 1 . . . . 173 W HB . 16992 1 1890 . 1 1 188 188 TRP HB3 H 1 3.182 0.010 6 1 . . . . 173 W HB . 16992 1 1891 . 1 1 188 188 TRP C C 13 177.556 0.032 3 1 . . . . 173 W CO . 16992 1 1892 . 1 1 188 188 TRP CA C 13 63.072 0.049 7 1 . . . . 173 W CA . 16992 1 1893 . 1 1 188 188 TRP CB C 13 31.473 0.052 5 1 . . . . 173 W CB . 16992 1 1894 . 1 1 188 188 TRP N N 15 118.815 0.021 3 1 . . . . 173 W N . 16992 1 1895 . 1 1 189 189 ASP H H 1 6.438 0.003 6 1 . . . . 174 D HN . 16992 1 1896 . 1 1 189 189 ASP HA H 1 4.001 0.034 10 1 . . . . 174 D HA . 16992 1 1897 . 1 1 189 189 ASP HB2 H 1 2.995 0.021 6 1 . . . . 174 D HB . 16992 1 1898 . 1 1 189 189 ASP HB3 H 1 2.995 0.021 6 1 . . . . 174 D HB . 16992 1 1899 . 1 1 189 189 ASP C C 13 175.299 0.037 3 1 . . . . 174 D CO . 16992 1 1900 . 1 1 189 189 ASP CA C 13 54.037 0.055 10 1 . . . . 174 D CA . 16992 1 1901 . 1 1 189 189 ASP CB C 13 43.244 0.070 6 1 . . . . 174 D CB . 16992 1 1902 . 1 1 189 189 ASP N N 15 124.987 0.028 4 1 . . . . 174 D N . 16992 1 1903 . 1 1 190 190 ASP H H 1 7.452 0.006 6 1 . . . . 175 D HN . 16992 1 1904 . 1 1 190 190 ASP HA H 1 3.502 0.023 11 1 . . . . 175 D HA . 16992 1 1905 . 1 1 190 190 ASP HB2 H 1 2.644 0.024 6 1 . . . . 175 D HB1 . 16992 1 1906 . 1 1 190 190 ASP HB3 H 1 2.521 0.032 3 1 . . . . 175 D HB2 . 16992 1 1907 . 1 1 190 190 ASP C C 13 178.151 0.019 2 1 . . . . 175 D CO . 16992 1 1908 . 1 1 190 190 ASP CA C 13 56.756 0.052 8 1 . . . . 175 D CA . 16992 1 1909 . 1 1 190 190 ASP CB C 13 40.777 0.035 2 1 . . . . 175 D CB . 16992 1 1910 . 1 1 190 190 ASP N N 15 111.163 0.018 4 1 . . . . 175 D N . 16992 1 1911 . 1 1 191 191 TYR H H 1 8.284 0.007 5 1 . . . . 176 Y HN . 16992 1 1912 . 1 1 191 191 TYR HA H 1 4.254 0.017 6 1 . . . . 176 Y HA . 16992 1 1913 . 1 1 191 191 TYR HB2 H 1 3.136 0.010 5 1 . . . . 176 Y HB1 . 16992 1 1914 . 1 1 191 191 TYR HB3 H 1 2.840 0.010 2 1 . . . . 176 Y HB2 . 16992 1 1915 . 1 1 191 191 TYR C C 13 177.744 0.056 2 1 . . . . 176 Y CO . 16992 1 1916 . 1 1 191 191 TYR CA C 13 60.613 0.057 10 1 . . . . 176 Y CA . 16992 1 1917 . 1 1 191 191 TYR CB C 13 40.302 0.044 5 1 . . . . 176 Y CB . 16992 1 1918 . 1 1 191 191 TYR N N 15 122.312 0.042 3 1 . . . . 176 Y N . 16992 1 1919 . 1 1 192 192 VAL H H 1 7.348 0.005 6 1 . . . . 177 V HN . 16992 1 1920 . 1 1 192 192 VAL HA H 1 3.014 0.030 5 1 . . . . 177 V HA . 16992 1 1921 . 1 1 192 192 VAL HB H 1 1.853 0.029 6 1 . . . . 177 V HB . 16992 1 1922 . 1 1 192 192 VAL HG11 H 1 0.552 0.003 9 1 . . . . 177 V HG1 . 16992 1 1923 . 1 1 192 192 VAL HG12 H 1 0.552 0.003 9 1 . . . . 177 V HG1 . 16992 1 1924 . 1 1 192 192 VAL HG13 H 1 0.552 0.003 9 1 . . . . 177 V HG1 . 16992 1 1925 . 1 1 192 192 VAL HG21 H 1 0.963 0.023 8 1 . . . . 177 V HG2 . 16992 1 1926 . 1 1 192 192 VAL HG22 H 1 0.963 0.023 8 1 . . . . 177 V HG2 . 16992 1 1927 . 1 1 192 192 VAL HG23 H 1 0.963 0.023 8 1 . . . . 177 V HG2 . 16992 1 1928 . 1 1 192 192 VAL CA C 13 69.952 0.022 4 1 . . . . 177 V CA . 16992 1 1929 . 1 1 192 192 VAL CB C 13 29.392 0.064 5 1 . . . . 177 V CB . 16992 1 1930 . 1 1 192 192 VAL CG1 C 13 22.749 0.024 6 1 . . . . 177 V CG1 . 16992 1 1931 . 1 1 192 192 VAL CG2 C 13 26.427 0.019 4 1 . . . . 177 V CG2 . 16992 1 1932 . 1 1 192 192 VAL N N 15 119.768 0.046 4 1 . . . . 177 V N . 16992 1 1933 . 1 1 193 193 PRO HA H 1 4.228 0.056 6 1 . . . . 178 P HA . 16992 1 1934 . 1 1 193 193 PRO HB2 H 1 2.444 0.012 3 1 . . . . 178 P HB1 . 16992 1 1935 . 1 1 193 193 PRO HB3 H 1 1.717 0.026 3 1 . . . . 178 P HB2 . 16992 1 1936 . 1 1 193 193 PRO HD2 H 1 3.507 0.018 4 1 . . . . 178 P HD1 . 16992 1 1937 . 1 1 193 193 PRO HD3 H 1 3.342 0.026 4 1 . . . . 178 P HD2 . 16992 1 1938 . 1 1 193 193 PRO HG2 H 1 2.288 0.025 3 1 . . . . 178 P HG . 16992 1 1939 . 1 1 193 193 PRO HG3 H 1 2.288 0.025 3 1 . . . . 178 P HG . 16992 1 1940 . 1 1 193 193 PRO CA C 13 67.466 0.070 8 1 . . . . 178 P CA . 16992 1 1941 . 1 1 193 193 PRO CB C 13 32.681 0.072 8 1 . . . . 178 P CB . 16992 1 1942 . 1 1 193 193 PRO CD C 13 50.192 0.030 7 1 . . . . 178 P CD . 16992 1 1943 . 1 1 193 193 PRO CG C 13 29.957 0.061 6 1 . . . . 178 P CG . 16992 1 1944 . 1 1 194 194 LYS H H 1 7.082 0.003 6 1 . . . . 179 K HN . 16992 1 1945 . 1 1 194 194 LYS HA H 1 3.974 0.026 8 1 . . . . 179 K HA . 16992 1 1946 . 1 1 194 194 LYS HB2 H 1 1.682 0.017 7 1 . . . . 179 K HB . 16992 1 1947 . 1 1 194 194 LYS HB3 H 1 1.682 0.017 7 1 . . . . 179 K HB . 16992 1 1948 . 1 1 194 194 LYS HD2 H 1 1.660 0.027 2 1 . . . . 179 K HD . 16992 1 1949 . 1 1 194 194 LYS HD3 H 1 1.660 0.027 2 1 . . . . 179 K HD . 16992 1 1950 . 1 1 194 194 LYS HE2 H 1 2.955 0.026 6 1 . . . . 179 K HE . 16992 1 1951 . 1 1 194 194 LYS HE3 H 1 2.955 0.026 6 1 . . . . 179 K HE . 16992 1 1952 . 1 1 194 194 LYS HG2 H 1 1.382 0.024 7 1 . . . . 179 K HG . 16992 1 1953 . 1 1 194 194 LYS HG3 H 1 1.382 0.024 7 1 . . . . 179 K HG . 16992 1 1954 . 1 1 194 194 LYS C C 13 180.606 0.041 2 1 . . . . 179 K CO . 16992 1 1955 . 1 1 194 194 LYS CA C 13 59.117 0.069 7 1 . . . . 179 K CA . 16992 1 1956 . 1 1 194 194 LYS CB C 13 31.808 0.073 8 1 . . . . 179 K CB . 16992 1 1957 . 1 1 194 194 LYS CD C 13 29.659 0.034 2 1 . . . . 179 K CD . 16992 1 1958 . 1 1 194 194 LYS CE C 13 43.041 0.084 4 1 . . . . 179 K CE . 16992 1 1959 . 1 1 194 194 LYS CG C 13 26.012 0.042 7 1 . . . . 179 K CG . 16992 1 1960 . 1 1 194 194 LYS N N 15 117.091 0.016 4 1 . . . . 179 K N . 16992 1 1961 . 1 1 195 195 LEU H H 1 7.186 0.008 7 1 . . . . 180 L HN . 16992 1 1962 . 1 1 195 195 LEU HA H 1 3.866 0.005 6 1 . . . . 180 L HA . 16992 1 1963 . 1 1 195 195 LEU HB2 H 1 1.588 0.006 5 1 . . . . 180 L HB1 . 16992 1 1964 . 1 1 195 195 LEU HB3 H 1 1.090 0.032 7 1 . . . . 180 L HB2 . 16992 1 1965 . 1 1 195 195 LEU HD11 H 1 0.787 0.023 6 1 . . . . 180 L HD1 . 16992 1 1966 . 1 1 195 195 LEU HD12 H 1 0.787 0.023 6 1 . . . . 180 L HD1 . 16992 1 1967 . 1 1 195 195 LEU HD13 H 1 0.787 0.023 6 1 . . . . 180 L HD1 . 16992 1 1968 . 1 1 195 195 LEU HD21 H 1 0.410 0.037 3 1 . . . . 180 L HD2 . 16992 1 1969 . 1 1 195 195 LEU HD22 H 1 0.410 0.037 3 1 . . . . 180 L HD2 . 16992 1 1970 . 1 1 195 195 LEU HD23 H 1 0.410 0.037 3 1 . . . . 180 L HD2 . 16992 1 1971 . 1 1 195 195 LEU HG H 1 1.204 0.032 6 1 . . . . 180 L HG . 16992 1 1972 . 1 1 195 195 LEU C C 13 180.123 0.089 2 1 . . . . 180 L CO . 16992 1 1973 . 1 1 195 195 LEU CA C 13 58.815 0.028 6 1 . . . . 180 L CA . 16992 1 1974 . 1 1 195 195 LEU CB C 13 41.982 0.024 15 1 . . . . 180 L CB . 16992 1 1975 . 1 1 195 195 LEU CD1 C 13 26.695 0.007 2 1 . . . . 180 L CD1 . 16992 1 1976 . 1 1 195 195 LEU CD2 C 13 24.552 0.030 5 1 . . . . 180 L CD2 . 16992 1 1977 . 1 1 195 195 LEU CG C 13 27.957 0.024 2 1 . . . . 180 L CG . 16992 1 1978 . 1 1 195 195 LEU N N 15 125.124 0.005 4 1 . . . . 180 L N . 16992 1 1979 . 1 1 196 196 TYR H H 1 8.069 0.014 7 1 . . . . 181 Y HN . 16992 1 1980 . 1 1 196 196 TYR HA H 1 4.047 0.013 3 1 . . . . 181 Y HA . 16992 1 1981 . 1 1 196 196 TYR HB2 H 1 3.050 0.013 5 1 . . . . 181 Y HB1 . 16992 1 1982 . 1 1 196 196 TYR HB3 H 1 2.899 0.007 4 1 . . . . 181 Y HB2 . 16992 1 1983 . 1 1 196 196 TYR C C 13 180.631 0.000 1 1 . . . . 181 Y CO . 16992 1 1984 . 1 1 196 196 TYR CA C 13 62.749 0.062 6 1 . . . . 181 Y CA . 16992 1 1985 . 1 1 196 196 TYR CB C 13 37.548 0.030 3 1 . . . . 181 Y CB . 16992 1 1986 . 1 1 196 196 TYR N N 15 117.328 0.032 3 1 . . . . 181 Y N . 16992 1 1987 . 1 1 197 197 GLU H H 1 7.687 0.002 6 1 . . . . 182 E HN . 16992 1 1988 . 1 1 197 197 GLU HA H 1 4.076 0.026 7 1 . . . . 182 E HA . 16992 1 1989 . 1 1 197 197 GLU HB2 H 1 2.111 0.038 2 1 . . . . 182 E HB . 16992 1 1990 . 1 1 197 197 GLU HB3 H 1 2.111 0.038 2 1 . . . . 182 E HB . 16992 1 1991 . 1 1 197 197 GLU HG2 H 1 2.531 0.017 2 1 . . . . 182 E HG1 . 16992 1 1992 . 1 1 197 197 GLU HG3 H 1 2.328 0.020 3 1 . . . . 182 E HG2 . 16992 1 1993 . 1 1 197 197 GLU C C 13 180.306 0.078 2 1 . . . . 182 E CO . 16992 1 1994 . 1 1 197 197 GLU CA C 13 60.765 0.059 7 1 . . . . 182 E CA . 16992 1 1995 . 1 1 197 197 GLU CB C 13 29.689 0.050 3 1 . . . . 182 E CB . 16992 1 1996 . 1 1 197 197 GLU N N 15 121.438 0.004 3 1 . . . . 182 E N . 16992 1 1997 . 1 1 198 198 GLN H H 1 7.776 0.006 6 1 . . . . 183 Q HN . 16992 1 1998 . 1 1 198 198 GLN HA H 1 4.146 0.007 7 1 . . . . 183 Q HA . 16992 1 1999 . 1 1 198 198 GLN HB2 H 1 2.398 0.011 4 1 . . . . 183 Q HB . 16992 1 2000 . 1 1 198 198 GLN HB3 H 1 2.398 0.011 4 1 . . . . 183 Q HB . 16992 1 2001 . 1 1 198 198 GLN HG2 H 1 2.364 0.024 5 1 . . . . 183 Q HG . 16992 1 2002 . 1 1 198 198 GLN HG3 H 1 2.364 0.024 5 1 . . . . 183 Q HG . 16992 1 2003 . 1 1 198 198 GLN C C 13 179.719 0.071 3 1 . . . . 183 Q CO . 16992 1 2004 . 1 1 198 198 GLN CA C 13 60.107 0.025 7 1 . . . . 183 Q CA . 16992 1 2005 . 1 1 198 198 GLN CB C 13 30.053 0.024 5 1 . . . . 183 Q CB . 16992 1 2006 . 1 1 198 198 GLN CG C 13 34.934 0.049 7 1 . . . . 183 Q CG . 16992 1 2007 . 1 1 198 198 GLN N N 15 123.319 0.008 4 1 . . . . 183 Q N . 16992 1 2008 . 1 1 199 199 LEU H H 1 7.907 0.006 3 1 . . . . 184 L HN . 16992 1 2009 . 1 1 199 199 LEU HA H 1 3.924 0.008 9 1 . . . . 184 L HA . 16992 1 2010 . 1 1 199 199 LEU HB2 H 1 1.705 0.011 8 1 . . . . 184 L HB1 . 16992 1 2011 . 1 1 199 199 LEU HB3 H 1 1.483 0.008 4 1 . . . . 184 L HB2 . 16992 1 2012 . 1 1 199 199 LEU HD11 H 1 0.815 0.001 3 1 . . . . 184 L HD1 . 16992 1 2013 . 1 1 199 199 LEU HD12 H 1 0.815 0.001 3 1 . . . . 184 L HD1 . 16992 1 2014 . 1 1 199 199 LEU HD13 H 1 0.815 0.001 3 1 . . . . 184 L HD1 . 16992 1 2015 . 1 1 199 199 LEU HD21 H 1 0.658 0.047 8 1 . . . . 184 L HD2 . 16992 1 2016 . 1 1 199 199 LEU HD22 H 1 0.658 0.047 8 1 . . . . 184 L HD2 . 16992 1 2017 . 1 1 199 199 LEU HD23 H 1 0.658 0.047 8 1 . . . . 184 L HD2 . 16992 1 2018 . 1 1 199 199 LEU HG H 1 1.512 0.025 2 1 . . . . 184 L HG . 16992 1 2019 . 1 1 199 199 LEU C C 13 177.490 0.034 3 1 . . . . 184 L CO . 16992 1 2020 . 1 1 199 199 LEU CA C 13 56.841 0.022 9 1 . . . . 184 L CA . 16992 1 2021 . 1 1 199 199 LEU CB C 13 43.208 0.043 9 1 . . . . 184 L CB . 16992 1 2022 . 1 1 199 199 LEU CD1 C 13 26.874 0.079 6 1 . . . . 184 L CD1 . 16992 1 2023 . 1 1 199 199 LEU CD2 C 13 23.380 0.081 6 1 . . . . 184 L CD2 . 16992 1 2024 . 1 1 199 199 LEU CG C 13 30.703 0.025 2 1 . . . . 184 L CG . 16992 1 2025 . 1 1 199 199 LEU N N 15 117.501 0.024 3 1 . . . . 184 L N . 16992 1 2026 . 1 1 200 200 SER H H 1 7.561 0.006 7 1 . . . . 185 S HN . 16992 1 2027 . 1 1 200 200 SER HA H 1 4.568 0.011 9 1 . . . . 185 S HA . 16992 1 2028 . 1 1 200 200 SER HB2 H 1 4.041 0.012 8 1 . . . . 185 S HB . 16992 1 2029 . 1 1 200 200 SER HB3 H 1 4.041 0.012 8 1 . . . . 185 S HB . 16992 1 2030 . 1 1 200 200 SER C C 13 176.163 0.033 3 1 . . . . 185 S CO . 16992 1 2031 . 1 1 200 200 SER CA C 13 59.870 0.060 11 1 . . . . 185 S CA . 16992 1 2032 . 1 1 200 200 SER CB C 13 65.150 0.071 7 1 . . . . 185 S CB . 16992 1 2033 . 1 1 200 200 SER N N 15 113.911 0.018 4 1 . . . . 185 S N . 16992 1 2034 . 1 1 201 201 GLY H H 1 7.960 0.012 7 1 . . . . 186 G HN . 16992 1 2035 . 1 1 201 201 GLY HA2 H 1 4.152 0.021 7 1 . . . . 186 G HA1 . 16992 1 2036 . 1 1 201 201 GLY HA3 H 1 3.979 0.011 6 1 . . . . 186 G HA2 . 16992 1 2037 . 1 1 201 201 GLY C C 13 174.851 0.007 3 1 . . . . 186 G CO . 16992 1 2038 . 1 1 201 201 GLY CA C 13 47.208 0.039 8 1 . . . . 186 G CA . 16992 1 2039 . 1 1 201 201 GLY N N 15 111.223 0.008 3 1 . . . . 186 G N . 16992 1 2040 . 1 1 202 202 LYS H H 1 7.675 0.006 6 1 . . . . 187 K HN . 16992 1 2041 . 1 1 202 202 LYS HA H 1 4.186 0.015 6 1 . . . . 187 K HA . 16992 1 2042 . 1 1 202 202 LYS HB2 H 1 1.837 0.006 10 1 . . . . 187 K HB1 . 16992 1 2043 . 1 1 202 202 LYS HB3 H 1 1.614 0.012 9 1 . . . . 187 K HB2 . 16992 1 2044 . 1 1 202 202 LYS HD2 H 1 1.639 0.001 2 1 . . . . 187 K HD . 16992 1 2045 . 1 1 202 202 LYS HD3 H 1 1.639 0.001 2 1 . . . . 187 K HD . 16992 1 2046 . 1 1 202 202 LYS HE2 H 1 2.967 0.005 5 1 . . . . 187 K HE . 16992 1 2047 . 1 1 202 202 LYS HE3 H 1 2.967 0.005 5 1 . . . . 187 K HE . 16992 1 2048 . 1 1 202 202 LYS HG2 H 1 1.357 0.001 4 1 . . . . 187 K HG . 16992 1 2049 . 1 1 202 202 LYS HG3 H 1 1.357 0.001 4 1 . . . . 187 K HG . 16992 1 2050 . 1 1 202 202 LYS CA C 13 58.381 0.078 5 1 . . . . 187 K CA . 16992 1 2051 . 1 1 202 202 LYS CB C 13 34.845 0.026 5 1 . . . . 187 K CB . 16992 1 2052 . 1 1 202 202 LYS CD C 13 30.027 0.079 4 1 . . . . 187 K CD . 16992 1 2053 . 1 1 202 202 LYS CE C 13 43.191 0.021 5 1 . . . . 187 K CE . 16992 1 2054 . 1 1 202 202 LYS CG C 13 26.158 0.011 3 1 . . . . 187 K CG . 16992 1 2055 . 1 1 202 202 LYS N N 15 125.796 0.005 3 1 . . . . 187 K N . 16992 1 stop_ save_