data_4675 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4675 _Entry.Title ; 1H, 13C and 15N resonance assignments of the DNA binding domain of the human forkhead transcription factor AFX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-01 _Entry.Accession_date 2000-03-01 _Entry.Last_release_date 2000-07-08 _Entry.Original_release_date 2000-07-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Johan Weigelt . . . 4675 2 Isabel Climent . . . 4675 3 Karin Dahlman-Wright . . . 4675 4 Mats Wikstrom . . . 4675 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4675 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 139 4675 '1H chemical shifts' 529 4675 '13C chemical shifts' 494 4675 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-07-08 2000-03-01 original author . 4675 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4675 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the DNA binding domain of the human forkhead transcription factor AFX ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 181 _Citation.Page_last 182 _Citation.Year 2000 _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 Johan Weigelt . . . 4675 1 2 Isabel Climent . . . 4675 1 3 Karin Dahlman-Wright . . . 4675 1 4 Mats Wikstrom . . . 4675 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AFX 4675 1 'DNA binding' 4675 1 'forkhead domain' 4675 1 'winged helix' 4675 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4675 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart D.S., Bigam C.G., Yao J., Abildgaard F., Dyson H.J., Oldfield E., Markley J.L., Sykes B.D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," J. Biomol. NMR, 6, 135-40 (1995) ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4675 2 2 'C G' Bigam C. G. . 4675 2 3 J Yao J. . . 4675 2 4 F Abildgaard F. . . 4675 2 5 'H J' Dyson H. J. . 4675 2 6 E Oldfield E. . . 4675 2 7 'J L' Markley J. L. . 4675 2 8 'B D' Sykes B. D. . 4675 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_AFXdbd _Assembly.Sf_category assembly _Assembly.Sf_framecode AFXdbd _Assembly.Entry_ID 4675 _Assembly.ID 1 _Assembly.Name 'DNA binding domain of AFX transcription factor' _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 'not present' _Assembly.Molecular_mass 16708 _Assembly.Enzyme_commission_number . _Assembly.Details ; DNA binding domain (residues 82-207) of the human transcription factor AFX. The construct contain 24 additional (non-native) residues included for purification purposes (his-tag, residues 58-81). ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4675 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AFX-DBD 1 $AFX . . . native . . . . . 4675 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1E17 . 'A Chain A, Solution Structure Of The Dna Binding Domain Of The Human Forkhead Transcription Factor Afx (Foxo4)' . . . . 4675 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA binding domain of AFX transcription factor' system 4675 1 AFX-DBD abbreviation 4675 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AFX _Entity.Sf_category entity _Entity.Sf_framecode AFX _Entity.Entry_ID 4675 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AFX _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 ; GSSHHHHHHSSGLVPRGSHM LEDPGAVTGPRKGGSRRNAW GNQSYAELISQAIESAPEKR LTLAQIYEWMVRTVPYFKDK GDSNSSAGWKNSIRHNLSLH SKFIKVHNEATGKSSWWMLN PEGGKSGKAPRRRAASMDSS SKLLRGRSKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16708 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E17 . "Solution Structure Of The Dna Binding Domain Of The Human Forkhead Transcription Factor Afx (Foxo4)" . . . . . 100.00 150 100.00 100.00 7.10e-103 . . . . 4675 1 2 no PDB 3L2C . "Crystal Structure Of The Dna Binding Domain Of Foxo4 Bound To Dna" . . . . . 73.33 110 100.00 100.00 8.12e-74 . . . . 4675 1 3 no DBJ BAA86199 . "forkhead protein [Mus musculus]" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 4 no DBJ BAG61928 . "unnamed protein product [Homo sapiens]" . . . . . 84.00 398 100.00 100.00 4.85e-82 . . . . 4675 1 5 no DBJ BAG73163 . "forkhead box O4 [synthetic construct]" . . . . . 84.00 505 100.00 100.00 3.61e-82 . . . . 4675 1 6 no EMBL CAA63819 . "AFX [Homo sapiens]" . . . . . 84.00 501 99.21 99.21 1.61e-81 . . . . 4675 1 7 no EMBL CAA72156 . "AFX1 [Homo sapiens]" . . . . . 84.00 504 100.00 100.00 2.15e-82 . . . . 4675 1 8 no GB AAD42108 . "forkhead protein AFXH [Mus musculus]" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 9 no GB AAI06762 . "Forkhead box O4 [Homo sapiens]" . . . . . 84.00 505 100.00 100.00 3.61e-82 . . . . 4675 1 10 no GB AAI39276 . "Forkhead box O4 [Mus musculus]" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 11 no GB AAI39305 . "Forkhead box O4 [Mus musculus]" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 12 no GB AAI48035 . "FOXO4 protein [Bos taurus]" . . . . . 83.33 512 99.20 100.00 6.18e-81 . . . . 4675 1 13 no REF NP_001094747 . "forkhead box protein O4 [Bos taurus]" . . . . . 83.33 512 99.20 100.00 6.18e-81 . . . . 4675 1 14 no REF NP_005929 . "forkhead box protein O4 isoform 1 [Homo sapiens]" . . . . . 84.00 505 100.00 100.00 3.61e-82 . . . . 4675 1 15 no REF NP_061259 . "forkhead box protein O4 [Mus musculus]" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 16 no REF XP_002720130 . "PREDICTED: forkhead box protein O4 [Oryctolagus cuniculus]" . . . . . 84.00 506 99.21 100.00 1.47e-81 . . . . 4675 1 17 no REF XP_002763017 . "PREDICTED: forkhead box protein O4 [Callithrix jacchus]" . . . . . 84.00 505 100.00 100.00 3.89e-82 . . . . 4675 1 18 no SP P98177 . "RecName: Full=Forkhead box protein O4; AltName: Full=Fork head domain transcription factor AFX1" . . . . . 84.00 505 100.00 100.00 3.61e-82 . . . . 4675 1 19 no SP Q9WVH3 . "RecName: Full=Forkhead box protein O4; AltName: Full=Afxh; AltName: Full=Fork head domain transcription factor AFX1" . . . . . 83.33 505 98.40 99.20 6.44e-80 . . . . 4675 1 20 no TPG DAA12928 . "TPA: forkhead box O4 [Bos taurus]" . . . . . 83.33 512 99.20 100.00 6.18e-81 . . . . 4675 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AFX common 4675 1 AFX abbreviation 4675 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 58 GLY . 4675 1 2 59 SER . 4675 1 3 60 SER . 4675 1 4 61 HIS . 4675 1 5 62 HIS . 4675 1 6 63 HIS . 4675 1 7 64 HIS . 4675 1 8 65 HIS . 4675 1 9 66 HIS . 4675 1 10 67 SER . 4675 1 11 68 SER . 4675 1 12 69 GLY . 4675 1 13 70 LEU . 4675 1 14 71 VAL . 4675 1 15 72 PRO . 4675 1 16 73 ARG . 4675 1 17 74 GLY . 4675 1 18 75 SER . 4675 1 19 76 HIS . 4675 1 20 77 MET . 4675 1 21 78 LEU . 4675 1 22 79 GLU . 4675 1 23 80 ASP . 4675 1 24 81 PRO . 4675 1 25 82 GLY . 4675 1 26 83 ALA . 4675 1 27 84 VAL . 4675 1 28 85 THR . 4675 1 29 86 GLY . 4675 1 30 87 PRO . 4675 1 31 88 ARG . 4675 1 32 89 LYS . 4675 1 33 90 GLY . 4675 1 34 91 GLY . 4675 1 35 92 SER . 4675 1 36 93 ARG . 4675 1 37 94 ARG . 4675 1 38 95 ASN . 4675 1 39 96 ALA . 4675 1 40 97 TRP . 4675 1 41 98 GLY . 4675 1 42 99 ASN . 4675 1 43 100 GLN . 4675 1 44 101 SER . 4675 1 45 102 TYR . 4675 1 46 103 ALA . 4675 1 47 104 GLU . 4675 1 48 105 LEU . 4675 1 49 106 ILE . 4675 1 50 107 SER . 4675 1 51 108 GLN . 4675 1 52 109 ALA . 4675 1 53 110 ILE . 4675 1 54 111 GLU . 4675 1 55 112 SER . 4675 1 56 113 ALA . 4675 1 57 114 PRO . 4675 1 58 115 GLU . 4675 1 59 116 LYS . 4675 1 60 117 ARG . 4675 1 61 118 LEU . 4675 1 62 119 THR . 4675 1 63 120 LEU . 4675 1 64 121 ALA . 4675 1 65 122 GLN . 4675 1 66 123 ILE . 4675 1 67 124 TYR . 4675 1 68 125 GLU . 4675 1 69 126 TRP . 4675 1 70 127 MET . 4675 1 71 128 VAL . 4675 1 72 129 ARG . 4675 1 73 130 THR . 4675 1 74 131 VAL . 4675 1 75 132 PRO . 4675 1 76 133 TYR . 4675 1 77 134 PHE . 4675 1 78 135 LYS . 4675 1 79 136 ASP . 4675 1 80 137 LYS . 4675 1 81 138 GLY . 4675 1 82 139 ASP . 4675 1 83 140 SER . 4675 1 84 141 ASN . 4675 1 85 142 SER . 4675 1 86 143 SER . 4675 1 87 144 ALA . 4675 1 88 145 GLY . 4675 1 89 146 TRP . 4675 1 90 147 LYS . 4675 1 91 148 ASN . 4675 1 92 149 SER . 4675 1 93 150 ILE . 4675 1 94 151 ARG . 4675 1 95 152 HIS . 4675 1 96 153 ASN . 4675 1 97 154 LEU . 4675 1 98 155 SER . 4675 1 99 156 LEU . 4675 1 100 157 HIS . 4675 1 101 158 SER . 4675 1 102 159 LYS . 4675 1 103 160 PHE . 4675 1 104 161 ILE . 4675 1 105 162 LYS . 4675 1 106 163 VAL . 4675 1 107 164 HIS . 4675 1 108 165 ASN . 4675 1 109 166 GLU . 4675 1 110 167 ALA . 4675 1 111 168 THR . 4675 1 112 169 GLY . 4675 1 113 170 LYS . 4675 1 114 171 SER . 4675 1 115 172 SER . 4675 1 116 173 TRP . 4675 1 117 174 TRP . 4675 1 118 175 MET . 4675 1 119 176 LEU . 4675 1 120 177 ASN . 4675 1 121 178 PRO . 4675 1 122 179 GLU . 4675 1 123 180 GLY . 4675 1 124 181 GLY . 4675 1 125 182 LYS . 4675 1 126 183 SER . 4675 1 127 184 GLY . 4675 1 128 185 LYS . 4675 1 129 186 ALA . 4675 1 130 187 PRO . 4675 1 131 188 ARG . 4675 1 132 189 ARG . 4675 1 133 190 ARG . 4675 1 134 191 ALA . 4675 1 135 192 ALA . 4675 1 136 193 SER . 4675 1 137 194 MET . 4675 1 138 195 ASP . 4675 1 139 196 SER . 4675 1 140 197 SER . 4675 1 141 198 SER . 4675 1 142 199 LYS . 4675 1 143 200 LEU . 4675 1 144 201 LEU . 4675 1 145 202 ARG . 4675 1 146 203 GLY . 4675 1 147 204 ARG . 4675 1 148 205 SER . 4675 1 149 206 LYS . 4675 1 150 207 ALA . 4675 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 . GLY 1 1 4675 1 . SER 2 2 4675 1 . SER 3 3 4675 1 . HIS 4 4 4675 1 . HIS 5 5 4675 1 . HIS 6 6 4675 1 . HIS 7 7 4675 1 . HIS 8 8 4675 1 . HIS 9 9 4675 1 . SER 10 10 4675 1 . SER 11 11 4675 1 . GLY 12 12 4675 1 . LEU 13 13 4675 1 . VAL 14 14 4675 1 . PRO 15 15 4675 1 . ARG 16 16 4675 1 . GLY 17 17 4675 1 . SER 18 18 4675 1 . HIS 19 19 4675 1 . MET 20 20 4675 1 . LEU 21 21 4675 1 . GLU 22 22 4675 1 . ASP 23 23 4675 1 . PRO 24 24 4675 1 . GLY 25 25 4675 1 . ALA 26 26 4675 1 . VAL 27 27 4675 1 . THR 28 28 4675 1 . GLY 29 29 4675 1 . PRO 30 30 4675 1 . ARG 31 31 4675 1 . LYS 32 32 4675 1 . GLY 33 33 4675 1 . GLY 34 34 4675 1 . SER 35 35 4675 1 . ARG 36 36 4675 1 . ARG 37 37 4675 1 . ASN 38 38 4675 1 . ALA 39 39 4675 1 . TRP 40 40 4675 1 . GLY 41 41 4675 1 . ASN 42 42 4675 1 . GLN 43 43 4675 1 . SER 44 44 4675 1 . TYR 45 45 4675 1 . ALA 46 46 4675 1 . GLU 47 47 4675 1 . LEU 48 48 4675 1 . ILE 49 49 4675 1 . SER 50 50 4675 1 . GLN 51 51 4675 1 . ALA 52 52 4675 1 . ILE 53 53 4675 1 . GLU 54 54 4675 1 . SER 55 55 4675 1 . ALA 56 56 4675 1 . PRO 57 57 4675 1 . GLU 58 58 4675 1 . LYS 59 59 4675 1 . ARG 60 60 4675 1 . LEU 61 61 4675 1 . THR 62 62 4675 1 . LEU 63 63 4675 1 . ALA 64 64 4675 1 . GLN 65 65 4675 1 . ILE 66 66 4675 1 . TYR 67 67 4675 1 . GLU 68 68 4675 1 . TRP 69 69 4675 1 . MET 70 70 4675 1 . VAL 71 71 4675 1 . ARG 72 72 4675 1 . THR 73 73 4675 1 . VAL 74 74 4675 1 . PRO 75 75 4675 1 . TYR 76 76 4675 1 . PHE 77 77 4675 1 . LYS 78 78 4675 1 . ASP 79 79 4675 1 . LYS 80 80 4675 1 . GLY 81 81 4675 1 . ASP 82 82 4675 1 . SER 83 83 4675 1 . ASN 84 84 4675 1 . SER 85 85 4675 1 . SER 86 86 4675 1 . ALA 87 87 4675 1 . GLY 88 88 4675 1 . TRP 89 89 4675 1 . LYS 90 90 4675 1 . ASN 91 91 4675 1 . SER 92 92 4675 1 . ILE 93 93 4675 1 . ARG 94 94 4675 1 . HIS 95 95 4675 1 . ASN 96 96 4675 1 . LEU 97 97 4675 1 . SER 98 98 4675 1 . LEU 99 99 4675 1 . HIS 100 100 4675 1 . SER 101 101 4675 1 . LYS 102 102 4675 1 . PHE 103 103 4675 1 . ILE 104 104 4675 1 . LYS 105 105 4675 1 . VAL 106 106 4675 1 . HIS 107 107 4675 1 . ASN 108 108 4675 1 . GLU 109 109 4675 1 . ALA 110 110 4675 1 . THR 111 111 4675 1 . GLY 112 112 4675 1 . LYS 113 113 4675 1 . SER 114 114 4675 1 . SER 115 115 4675 1 . TRP 116 116 4675 1 . TRP 117 117 4675 1 . MET 118 118 4675 1 . LEU 119 119 4675 1 . ASN 120 120 4675 1 . PRO 121 121 4675 1 . GLU 122 122 4675 1 . GLY 123 123 4675 1 . GLY 124 124 4675 1 . LYS 125 125 4675 1 . SER 126 126 4675 1 . GLY 127 127 4675 1 . LYS 128 128 4675 1 . ALA 129 129 4675 1 . PRO 130 130 4675 1 . ARG 131 131 4675 1 . ARG 132 132 4675 1 . ARG 133 133 4675 1 . ALA 134 134 4675 1 . ALA 135 135 4675 1 . SER 136 136 4675 1 . MET 137 137 4675 1 . ASP 138 138 4675 1 . SER 139 139 4675 1 . SER 140 140 4675 1 . SER 141 141 4675 1 . LYS 142 142 4675 1 . LEU 143 143 4675 1 . LEU 144 144 4675 1 . ARG 145 145 4675 1 . GLY 146 146 4675 1 . ARG 147 147 4675 1 . SER 148 148 4675 1 . LYS 149 149 4675 1 . ALA 150 150 4675 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 4675 _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 $AFX . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4675 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 4675 _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 $AFX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET15b . Novagen . . . . 4675 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4675 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AFX '[U-13C; U-15N]' . . 1 $AFX . . 1.5 . . mM . . . . 4675 1 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 4675 1 3 NaCl . . . . . . . 100 . . mM . . . . 4675 1 4 EDTA . . . . . . . 1 . . mM . . . . 4675 1 5 Pefabloc . . . . . . . 1 . . mM . . . . 4675 1 6 NaN3 . . . . . . . 0.02 . . '% w/v' . . . . 4675 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4675 _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 pH 6.3 0.1 pH 4675 1 temperature 304 0.5 K 4675 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 4675 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4675 _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 'Unity Inova' . 800 . . . 4675 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 4675 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4675 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_ref_1 _Chem_shift_reference.Entry_ID 4675 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.695 internal direct . internal spherical parallel_to_Bo 2 $ref_1 temperature -0.083 2 $ref_1 4675 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $ref_1 . . . . 4675 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $ref_1 . . . . 4675 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_Chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_shifts _Assigned_chem_shift_list.Entry_ID 4675 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_ref_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 $sample_1 . 4675 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 12 12 GLY N N 15 110.52 0.1 . 1 . . . . . . . . 4675 1 2 . 1 1 12 12 GLY H H 1 8.350 0.01 . 1 . . . . . . . . 4675 1 3 . 1 1 12 12 GLY CA C 13 45.37 0.1 . 1 . . . . . . . . 4675 1 4 . 1 1 12 12 GLY C C 13 173.81 0.1 . 1 . . . . . . . . 4675 1 5 . 1 1 13 13 LEU N N 15 121.58 0.1 . 1 . . . . . . . . 4675 1 6 . 1 1 13 13 LEU H H 1 8.007 0.01 . 1 . . . . . . . . 4675 1 7 . 1 1 13 13 LEU CA C 13 55.11 0.1 . 1 . . . . . . . . 4675 1 8 . 1 1 13 13 LEU HA H 1 4.339 0.01 . 1 . . . . . . . . 4675 1 9 . 1 1 13 13 LEU C C 13 177.04 0.1 . 1 . . . . . . . . 4675 1 10 . 1 1 13 13 LEU CB C 13 42.49 0.1 . 1 . . . . . . . . 4675 1 11 . 1 1 13 13 LEU HB3 H 1 1.522 0.01 . 2 . . . . . . . . 4675 1 12 . 1 1 13 13 LEU HB2 H 1 1.572 0.01 . 2 . . . . . . . . 4675 1 13 . 1 1 13 13 LEU CD1 C 13 24.92 0.1 . 2 . . . . . . . . 4675 1 14 . 1 1 13 13 LEU CD2 C 13 23.57 0.1 . 2 . . . . . . . . 4675 1 15 . 1 1 14 14 VAL N N 15 122.46 0.1 . 1 . . . . . . . . 4675 1 16 . 1 1 14 14 VAL H H 1 8.034 0.01 . 1 . . . . . . . . 4675 1 17 . 1 1 14 14 VAL CA C 13 59.78 0.1 . 1 . . . . . . . . 4675 1 18 . 1 1 14 14 VAL HA H 1 4.369 0.01 . 1 . . . . . . . . 4675 1 19 . 1 1 14 14 VAL CB C 13 32.77 0.1 . 1 . . . . . . . . 4675 1 20 . 1 1 14 14 VAL HB H 1 2.025 0.01 . 1 . . . . . . . . 4675 1 21 . 1 1 14 14 VAL CG1 C 13 21.12 0.1 . 1 . . . . . . . . 4675 1 22 . 1 1 14 14 VAL CG2 C 13 20.41 0.1 . 1 . . . . . . . . 4675 1 23 . 1 1 15 15 PRO CA C 13 63.16 0.1 . 1 . . . . . . . . 4675 1 24 . 1 1 15 15 PRO HA H 1 4.382 0.01 . 1 . . . . . . . . 4675 1 25 . 1 1 15 15 PRO C C 13 176.85 0.1 . 1 . . . . . . . . 4675 1 26 . 1 1 15 15 PRO CB C 13 32.10 0.1 . 1 . . . . . . . . 4675 1 27 . 1 1 15 15 PRO CD C 13 51.12 0.1 . 1 . . . . . . . . 4675 1 28 . 1 1 15 15 PRO HD3 H 1 3.616 0.01 . 2 . . . . . . . . 4675 1 29 . 1 1 15 15 PRO HD2 H 1 3.816 0.01 . 2 . . . . . . . . 4675 1 30 . 1 1 16 16 ARG N N 15 121.78 0.1 . 1 . . . . . . . . 4675 1 31 . 1 1 16 16 ARG H H 1 8.402 0.01 . 1 . . . . . . . . 4675 1 32 . 1 1 16 16 ARG CA C 13 56.44 0.1 . 1 . . . . . . . . 4675 1 33 . 1 1 16 16 ARG HA H 1 4.295 0.01 . 1 . . . . . . . . 4675 1 34 . 1 1 16 16 ARG C C 13 176.99 0.1 . 1 . . . . . . . . 4675 1 35 . 1 1 16 16 ARG CB C 13 30.90 0.1 . 1 . . . . . . . . 4675 1 36 . 1 1 17 17 GLY N N 15 110.24 0.1 . 1 . . . . . . . . 4675 1 37 . 1 1 17 17 GLY H H 1 8.422 0.01 . 1 . . . . . . . . 4675 1 38 . 1 1 17 17 GLY CA C 13 45.37 0.1 . 1 . . . . . . . . 4675 1 39 . 1 1 17 17 GLY C C 13 174.20 0.1 . 1 . . . . . . . . 4675 1 40 . 1 1 18 18 SER N N 15 115.50 0.1 . 1 . . . . . . . . 4675 1 41 . 1 1 18 18 SER H H 1 8.174 0.01 . 1 . . . . . . . . 4675 1 42 . 1 1 18 18 SER CA C 13 58.58 0.1 . 1 . . . . . . . . 4675 1 43 . 1 1 18 18 SER HA H 1 4.385 0.01 . 1 . . . . . . . . 4675 1 44 . 1 1 18 18 SER CB C 13 63.86 0.1 . 1 . . . . . . . . 4675 1 45 . 1 1 20 20 MET CA C 13 55.67 0.1 . 1 . . . . . . . . 4675 1 46 . 1 1 20 20 MET HA H 1 4.391 0.01 . 1 . . . . . . . . 4675 1 47 . 1 1 20 20 MET C C 13 175.80 0.1 . 1 . . . . . . . . 4675 1 48 . 1 1 20 20 MET CB C 13 32.96 0.1 . 1 . . . . . . . . 4675 1 49 . 1 1 20 20 MET HB3 H 1 2.026 0.01 . 2 . . . . . . . . 4675 1 50 . 1 1 20 20 MET HB2 H 1 1.923 0.01 . 2 . . . . . . . . 4675 1 51 . 1 1 20 20 MET CG C 13 32.04 0.1 . 1 . . . . . . . . 4675 1 52 . 1 1 20 20 MET HG3 H 1 2.456 0.01 . 2 . . . . . . . . 4675 1 53 . 1 1 20 20 MET HG2 H 1 2.391 0.01 . 2 . . . . . . . . 4675 1 54 . 1 1 21 21 LEU N N 15 122.83 0.1 . 1 . . . . . . . . 4675 1 55 . 1 1 21 21 LEU H H 1 8.182 0.01 . 1 . . . . . . . . 4675 1 56 . 1 1 21 21 LEU CA C 13 55.24 0.1 . 1 . . . . . . . . 4675 1 57 . 1 1 21 21 LEU HA H 1 4.311 0.01 . 1 . . . . . . . . 4675 1 58 . 1 1 21 21 LEU CB C 13 42.43 0.1 . 1 . . . . . . . . 4675 1 59 . 1 1 21 21 LEU HB3 H 1 1.574 0.01 . 2 . . . . . . . . 4675 1 60 . 1 1 21 21 LEU HB2 H 1 1.607 0.01 . 2 . . . . . . . . 4675 1 61 . 1 1 22 22 GLU N N 15 121.25 0.1 . 1 . . . . . . . . 4675 1 62 . 1 1 22 22 GLU H H 1 8.218 0.01 . 1 . . . . . . . . 4675 1 63 . 1 1 22 22 GLU CA C 13 56.27 0.1 . 1 . . . . . . . . 4675 1 64 . 1 1 22 22 GLU HA H 1 4.241 0.01 . 1 . . . . . . . . 4675 1 65 . 1 1 22 22 GLU CB C 13 30.64 0.1 . 1 . . . . . . . . 4675 1 66 . 1 1 22 22 GLU HB3 H 1 1.983 0.01 . 2 . . . . . . . . 4675 1 67 . 1 1 22 22 GLU HB2 H 1 1.877 0.01 . 2 . . . . . . . . 4675 1 68 . 1 1 24 24 PRO CA C 13 64.04 0.1 . 1 . . . . . . . . 4675 1 69 . 1 1 24 24 PRO HA H 1 4.386 0.01 . 1 . . . . . . . . 4675 1 70 . 1 1 24 24 PRO C C 13 177.71 0.1 . 1 . . . . . . . . 4675 1 71 . 1 1 24 24 PRO CB C 13 32.08 0.1 . 1 . . . . . . . . 4675 1 72 . 1 1 24 24 PRO HB3 H 1 1.950 0.01 . 2 . . . . . . . . 4675 1 73 . 1 1 24 24 PRO HB2 H 1 2.256 0.01 . 2 . . . . . . . . 4675 1 74 . 1 1 24 24 PRO CG C 13 27.20 0.1 . 1 . . . . . . . . 4675 1 75 . 1 1 24 24 PRO CD C 13 50.92 0.1 . 1 . . . . . . . . 4675 1 76 . 1 1 25 25 GLY N N 15 107.74 0.1 . 1 . . . . . . . . 4675 1 77 . 1 1 25 25 GLY H H 1 8.462 0.01 . 1 . . . . . . . . 4675 1 78 . 1 1 25 25 GLY CA C 13 45.36 0.1 . 1 . . . . . . . . 4675 1 79 . 1 1 25 25 GLY HA3 H 1 3.959 0.01 . 2 . . . . . . . . 4675 1 80 . 1 1 25 25 GLY HA2 H 1 3.800 0.01 . 2 . . . . . . . . 4675 1 81 . 1 1 25 25 GLY C C 13 174.14 0.1 . 1 . . . . . . . . 4675 1 82 . 1 1 26 26 ALA N N 15 123.40 0.1 . 1 . . . . . . . . 4675 1 83 . 1 1 26 26 ALA H H 1 7.835 0.01 . 1 . . . . . . . . 4675 1 84 . 1 1 26 26 ALA CA C 13 52.60 0.1 . 1 . . . . . . . . 4675 1 85 . 1 1 26 26 ALA HA H 1 4.320 0.01 . 1 . . . . . . . . 4675 1 86 . 1 1 26 26 ALA C C 13 177.85 0.1 . 1 . . . . . . . . 4675 1 87 . 1 1 26 26 ALA CB C 13 19.31 0.1 . 1 . . . . . . . . 4675 1 88 . 1 1 27 27 VAL N N 15 118.46 0.1 . 1 . . . . . . . . 4675 1 89 . 1 1 27 27 VAL H H 1 7.967 0.01 . 1 . . . . . . . . 4675 1 90 . 1 1 27 27 VAL CA C 13 62.50 0.1 . 1 . . . . . . . . 4675 1 91 . 1 1 27 27 VAL HA H 1 4.154 0.01 . 1 . . . . . . . . 4675 1 92 . 1 1 27 27 VAL C C 13 176.42 0.1 . 1 . . . . . . . . 4675 1 93 . 1 1 27 27 VAL CB C 13 32.66 0.1 . 1 . . . . . . . . 4675 1 94 . 1 1 27 27 VAL HB H 1 2.109 0.01 . 1 . . . . . . . . 4675 1 95 . 1 1 27 27 VAL CG1 C 13 21.45 0.1 . 2 . . . . . . . . 4675 1 96 . 1 1 27 27 VAL CG2 C 13 20.72 0.1 . 2 . . . . . . . . 4675 1 97 . 1 1 28 28 THR N N 15 116.25 0.1 . 1 . . . . . . . . 4675 1 98 . 1 1 28 28 THR H H 1 8.063 0.01 . 1 . . . . . . . . 4675 1 99 . 1 1 28 28 THR CA C 13 61.57 0.1 . 1 . . . . . . . . 4675 1 100 . 1 1 28 28 THR HA H 1 4.387 0.01 . 1 . . . . . . . . 4675 1 101 . 1 1 28 28 THR C C 13 174.69 0.1 . 1 . . . . . . . . 4675 1 102 . 1 1 28 28 THR CB C 13 69.96 0.1 . 1 . . . . . . . . 4675 1 103 . 1 1 28 28 THR HB H 1 4.223 0.01 . 1 . . . . . . . . 4675 1 104 . 1 1 28 28 THR CG2 C 13 21.54 0.1 . 1 . . . . . . . . 4675 1 105 . 1 1 29 29 GLY N N 15 110.97 0.1 . 1 . . . . . . . . 4675 1 106 . 1 1 29 29 GLY H H 1 8.114 0.01 . 1 . . . . . . . . 4675 1 107 . 1 1 29 29 GLY CA C 13 44.74 0.1 . 1 . . . . . . . . 4675 1 108 . 1 1 30 30 PRO HB3 H 1 1.877 0.01 . 2 . . . . . . . . 4675 1 109 . 1 1 30 30 PRO HB2 H 1 2.245 0.01 . 2 . . . . . . . . 4675 1 110 . 1 1 30 30 PRO CG C 13 27.30 0.1 . 1 . . . . . . . . 4675 1 111 . 1 1 30 30 PRO CD C 13 49.92 0.1 . 1 . . . . . . . . 4675 1 112 . 1 1 30 30 PRO HD3 H 1 3.582 0.01 . 2 . . . . . . . . 4675 1 113 . 1 1 30 30 PRO HD2 H 1 3.602 0.01 . 2 . . . . . . . . 4675 1 114 . 1 1 32 32 LYS CA C 13 56.48 0.1 . 1 . . . . . . . . 4675 1 115 . 1 1 32 32 LYS C C 13 177.04 0.1 . 1 . . . . . . . . 4675 1 116 . 1 1 32 32 LYS CB C 13 33.04 0.1 . 1 . . . . . . . . 4675 1 117 . 1 1 33 33 GLY N N 15 110.45 0.1 . 1 . . . . . . . . 4675 1 118 . 1 1 33 33 GLY H H 1 8.436 0.01 . 1 . . . . . . . . 4675 1 119 . 1 1 33 33 GLY CA C 13 45.39 0.1 . 1 . . . . . . . . 4675 1 120 . 1 1 33 33 GLY C C 13 174.63 0.1 . 1 . . . . . . . . 4675 1 121 . 1 1 34 34 GLY N N 15 108.73 0.1 . 1 . . . . . . . . 4675 1 122 . 1 1 34 34 GLY H H 1 8.250 0.01 . 1 . . . . . . . . 4675 1 123 . 1 1 34 34 GLY CA C 13 45.28 0.1 . 1 . . . . . . . . 4675 1 124 . 1 1 34 34 GLY C C 13 174.24 0.1 . 1 . . . . . . . . 4675 1 125 . 1 1 35 35 SER N N 15 115.65 0.1 . 1 . . . . . . . . 4675 1 126 . 1 1 35 35 SER H H 1 8.241 0.01 . 1 . . . . . . . . 4675 1 127 . 1 1 35 35 SER CA C 13 58.39 0.1 . 1 . . . . . . . . 4675 1 128 . 1 1 35 35 SER HA H 1 4.422 0.01 . 1 . . . . . . . . 4675 1 129 . 1 1 35 35 SER C C 13 176.35 0.1 . 1 . . . . . . . . 4675 1 130 . 1 1 35 35 SER CB C 13 63.93 0.1 . 1 . . . . . . . . 4675 1 131 . 1 1 35 35 SER HB3 H 1 3.743 0.01 . 2 . . . . . . . . 4675 1 132 . 1 1 35 35 SER HB2 H 1 3.657 0.01 . 2 . . . . . . . . 4675 1 133 . 1 1 36 36 ARG N N 15 122.79 0.1 . 1 . . . . . . . . 4675 1 134 . 1 1 36 36 ARG H H 1 8.346 0.01 . 1 . . . . . . . . 4675 1 135 . 1 1 36 36 ARG CA C 13 56.04 0.1 . 1 . . . . . . . . 4675 1 136 . 1 1 36 36 ARG HA H 1 4.340 0.01 . 1 . . . . . . . . 4675 1 137 . 1 1 36 36 ARG C C 13 176.12 0.1 . 1 . . . . . . . . 4675 1 138 . 1 1 36 36 ARG CB C 13 30.85 0.1 . 1 . . . . . . . . 4675 1 139 . 1 1 37 37 ARG N N 15 121.72 0.1 . 1 . . . . . . . . 4675 1 140 . 1 1 37 37 ARG H H 1 8.245 0.01 . 1 . . . . . . . . 4675 1 141 . 1 1 37 37 ARG CA C 13 56.72 0.1 . 1 . . . . . . . . 4675 1 142 . 1 1 37 37 ARG HA H 1 4.124 0.01 . 1 . . . . . . . . 4675 1 143 . 1 1 37 37 ARG C C 13 175.79 0.1 . 1 . . . . . . . . 4675 1 144 . 1 1 37 37 ARG CB C 13 30.95 0.1 . 1 . . . . . . . . 4675 1 145 . 1 1 37 37 ARG HB3 H 1 1.651 0.01 . 2 . . . . . . . . 4675 1 146 . 1 1 37 37 ARG HB2 H 1 1.698 0.01 . 2 . . . . . . . . 4675 1 147 . 1 1 37 37 ARG CG C 13 27.14 0.1 . 1 . . . . . . . . 4675 1 148 . 1 1 37 37 ARG CD C 13 43.32 0.1 . 1 . . . . . . . . 4675 1 149 . 1 1 38 38 ASN N N 15 117.97 0.1 . 1 . . . . . . . . 4675 1 150 . 1 1 38 38 ASN H H 1 7.853 0.01 . 1 . . . . . . . . 4675 1 151 . 1 1 38 38 ASN CA C 13 52.16 0.1 . 1 . . . . . . . . 4675 1 152 . 1 1 38 38 ASN HA H 1 4.454 0.01 . 1 . . . . . . . . 4675 1 153 . 1 1 38 38 ASN C C 13 175.20 0.1 . 1 . . . . . . . . 4675 1 154 . 1 1 38 38 ASN CB C 13 39.01 0.1 . 1 . . . . . . . . 4675 1 155 . 1 1 38 38 ASN HB3 H 1 1.420 0.02 . 2 . . . . . . . . 4675 1 156 . 1 1 38 38 ASN HB2 H 1 1.897 0.02 . 2 . . . . . . . . 4675 1 157 . 1 1 38 38 ASN ND2 N 15 113.95 0.1 . 1 . . . . . . . . 4675 1 158 . 1 1 38 38 ASN HD21 H 1 6.823 0.01 . 1 . . . . . . . . 4675 1 159 . 1 1 38 38 ASN HD22 H 1 6.972 0.01 . 1 . . . . . . . . 4675 1 160 . 1 1 39 39 ALA N N 15 123.22 0.1 . 1 . . . . . . . . 4675 1 161 . 1 1 39 39 ALA H H 1 8.162 0.01 . 1 . . . . . . . . 4675 1 162 . 1 1 39 39 ALA CA C 13 53.70 0.1 . 1 . . . . . . . . 4675 1 163 . 1 1 39 39 ALA HA H 1 3.913 0.01 . 1 . . . . . . . . 4675 1 164 . 1 1 39 39 ALA C C 13 177.31 0.1 . 1 . . . . . . . . 4675 1 165 . 1 1 39 39 ALA CB C 13 18.82 0.1 . 1 . . . . . . . . 4675 1 166 . 1 1 40 40 TRP N N 15 113.74 0.1 . 1 . . . . . . . . 4675 1 167 . 1 1 40 40 TRP H H 1 6.948 0.03 . 1 . . . . . . . . 4675 1 168 . 1 1 40 40 TRP CA C 13 56.98 0.1 . 1 . . . . . . . . 4675 1 169 . 1 1 40 40 TRP HA H 1 4.341 0.01 . 1 . . . . . . . . 4675 1 170 . 1 1 40 40 TRP C C 13 175.79 0.1 . 1 . . . . . . . . 4675 1 171 . 1 1 40 40 TRP CB C 13 29.21 0.1 . 1 . . . . . . . . 4675 1 172 . 1 1 40 40 TRP HB3 H 1 2.730 0.01 . 2 . . . . . . . . 4675 1 173 . 1 1 40 40 TRP HB2 H 1 3.069 0.01 . 2 . . . . . . . . 4675 1 174 . 1 1 40 40 TRP CD1 C 13 126.79 0.1 . 1 . . . . . . . . 4675 1 175 . 1 1 40 40 TRP HD1 H 1 6.999 0.01 . 1 . . . . . . . . 4675 1 176 . 1 1 40 40 TRP NE1 N 15 130.80 0.1 . 1 . . . . . . . . 4675 1 177 . 1 1 40 40 TRP HE1 H 1 10.079 0.1 . 1 . . . . . . . . 4675 1 178 . 1 1 40 40 TRP HE3 H 1 6.910 0.01 . 1 . . . . . . . . 4675 1 179 . 1 1 40 40 TRP CZ2 C 13 114.59 0.1 . 1 . . . . . . . . 4675 1 180 . 1 1 40 40 TRP HZ2 H 1 7.062 0.01 . 1 . . . . . . . . 4675 1 181 . 1 1 40 40 TRP CZ3 C 13 122.14 0.1 . 1 . . . . . . . . 4675 1 182 . 1 1 40 40 TRP HZ3 H 1 7.014 0.01 . 1 . . . . . . . . 4675 1 183 . 1 1 40 40 TRP CH2 C 13 124.98 0.1 . 1 . . . . . . . . 4675 1 184 . 1 1 40 40 TRP HH2 H 1 6.931 0.01 . 1 . . . . . . . . 4675 1 185 . 1 1 41 41 GLY N N 15 110.00 0.1 . 1 . . . . . . . . 4675 1 186 . 1 1 41 41 GLY H H 1 7.385 0.02 . 1 . . . . . . . . 4675 1 187 . 1 1 41 41 GLY CA C 13 44.92 0.1 . 1 . . . . . . . . 4675 1 188 . 1 1 41 41 GLY HA3 H 1 3.650 0.01 . 2 . . . . . . . . 4675 1 189 . 1 1 41 41 GLY HA2 H 1 4.236 0.01 . 2 . . . . . . . . 4675 1 190 . 1 1 41 41 GLY C C 13 173.32 0.1 . 1 . . . . . . . . 4675 1 191 . 1 1 42 42 ASN N N 15 118.06 0.1 . 1 . . . . . . . . 4675 1 192 . 1 1 42 42 ASN H H 1 8.418 0.01 . 1 . . . . . . . . 4675 1 193 . 1 1 42 42 ASN CA C 13 53.79 0.1 . 1 . . . . . . . . 4675 1 194 . 1 1 42 42 ASN HA H 1 4.618 0.01 . 1 . . . . . . . . 4675 1 195 . 1 1 42 42 ASN C C 13 175.53 0.1 . 1 . . . . . . . . 4675 1 196 . 1 1 42 42 ASN CB C 13 38.77 0.1 . 1 . . . . . . . . 4675 1 197 . 1 1 42 42 ASN HB3 H 1 2.841 0.01 . 2 . . . . . . . . 4675 1 198 . 1 1 42 42 ASN HB2 H 1 2.710 0.01 . 2 . . . . . . . . 4675 1 199 . 1 1 42 42 ASN ND2 N 15 112.46 0.1 . 1 . . . . . . . . 4675 1 200 . 1 1 42 42 ASN HD21 H 1 6.870 0.01 . 1 . . . . . . . . 4675 1 201 . 1 1 42 42 ASN HD22 H 1 7.526 0.01 . 1 . . . . . . . . 4675 1 202 . 1 1 43 43 GLN N N 15 119.33 0.1 . 1 . . . . . . . . 4675 1 203 . 1 1 43 43 GLN H H 1 8.268 0.01 . 1 . . . . . . . . 4675 1 204 . 1 1 43 43 GLN CA C 13 56.17 0.1 . 1 . . . . . . . . 4675 1 205 . 1 1 43 43 GLN HA H 1 4.446 0.01 . 1 . . . . . . . . 4675 1 206 . 1 1 43 43 GLN C C 13 175.95 0.1 . 1 . . . . . . . . 4675 1 207 . 1 1 43 43 GLN CB C 13 30.32 0.1 . 1 . . . . . . . . 4675 1 208 . 1 1 43 43 GLN HB3 H 1 2.007 0.01 . 2 . . . . . . . . 4675 1 209 . 1 1 43 43 GLN HB2 H 1 1.967 0.01 . 2 . . . . . . . . 4675 1 210 . 1 1 43 43 GLN CG C 13 34.42 0.1 . 1 . . . . . . . . 4675 1 211 . 1 1 43 43 GLN NE2 N 15 111.20 0.1 . 1 . . . . . . . . 4675 1 212 . 1 1 43 43 GLN HE21 H 1 6.806 0.01 . 1 . . . . . . . . 4675 1 213 . 1 1 43 43 GLN HE22 H 1 7.426 0.01 . 1 . . . . . . . . 4675 1 214 . 1 1 44 44 SER N N 15 118.37 0.1 . 1 . . . . . . . . 4675 1 215 . 1 1 44 44 SER H H 1 8.783 0.01 . 1 . . . . . . . . 4675 1 216 . 1 1 44 44 SER CA C 13 57.46 0.1 . 1 . . . . . . . . 4675 1 217 . 1 1 44 44 SER HA H 1 4.646 0.01 . 1 . . . . . . . . 4675 1 218 . 1 1 44 44 SER C C 13 175.82 0.1 . 1 . . . . . . . . 4675 1 219 . 1 1 44 44 SER CB C 13 64.94 0.1 . 1 . . . . . . . . 4675 1 220 . 1 1 44 44 SER HB3 H 1 4.023 0.01 . 1 . . . . . . . . 4675 1 221 . 1 1 44 44 SER HB2 H 1 4.353 0.01 . 1 . . . . . . . . 4675 1 222 . 1 1 45 45 TYR N N 15 119.89 0.1 . 1 . . . . . . . . 4675 1 223 . 1 1 45 45 TYR H H 1 8.828 0.01 . 1 . . . . . . . . 4675 1 224 . 1 1 45 45 TYR CA C 13 63.02 0.1 . 1 . . . . . . . . 4675 1 225 . 1 1 45 45 TYR HA H 1 4.228 0.01 . 1 . . . . . . . . 4675 1 226 . 1 1 45 45 TYR C C 13 178.16 0.1 . 1 . . . . . . . . 4675 1 227 . 1 1 45 45 TYR CB C 13 38.62 0.1 . 1 . . . . . . . . 4675 1 228 . 1 1 45 45 TYR HB3 H 1 2.738 0.01 . 1 . . . . . . . . 4675 1 229 . 1 1 45 45 TYR HB2 H 1 2.960 0.01 . 1 . . . . . . . . 4675 1 230 . 1 1 46 46 ALA N N 15 119.27 0.1 . 1 . . . . . . . . 4675 1 231 . 1 1 46 46 ALA H H 1 8.606 0.01 . 1 . . . . . . . . 4675 1 232 . 1 1 46 46 ALA CA C 13 56.08 0.1 . 1 . . . . . . . . 4675 1 233 . 1 1 46 46 ALA HA H 1 4.038 0.01 . 1 . . . . . . . . 4675 1 234 . 1 1 46 46 ALA C C 13 180.23 0.1 . 1 . . . . . . . . 4675 1 235 . 1 1 46 46 ALA CB C 13 17.62 0.1 . 1 . . . . . . . . 4675 1 236 . 1 1 47 47 GLU N N 15 119.58 0.1 . 1 . . . . . . . . 4675 1 237 . 1 1 47 47 GLU H H 1 7.963 0.01 . 1 . . . . . . . . 4675 1 238 . 1 1 47 47 GLU CA C 13 59.42 0.1 . 1 . . . . . . . . 4675 1 239 . 1 1 47 47 GLU HA H 1 4.055 0.01 . 1 . . . . . . . . 4675 1 240 . 1 1 47 47 GLU C C 13 179.21 0.1 . 1 . . . . . . . . 4675 1 241 . 1 1 47 47 GLU CB C 13 29.75 0.1 . 1 . . . . . . . . 4675 1 242 . 1 1 47 47 GLU HB3 H 1 2.089 0.01 . 1 . . . . . . . . 4675 1 243 . 1 1 47 47 GLU HB2 H 1 2.307 0.01 . 1 . . . . . . . . 4675 1 244 . 1 1 48 48 LEU N N 15 121.19 0.1 . 1 . . . . . . . . 4675 1 245 . 1 1 48 48 LEU H H 1 8.010 0.01 . 1 . . . . . . . . 4675 1 246 . 1 1 48 48 LEU CA C 13 58.22 0.1 . 1 . . . . . . . . 4675 1 247 . 1 1 48 48 LEU HA H 1 4.123 0.01 . 1 . . . . . . . . 4675 1 248 . 1 1 48 48 LEU C C 13 177.93 0.1 . 1 . . . . . . . . 4675 1 249 . 1 1 48 48 LEU CB C 13 42.87 0.1 . 1 . . . . . . . . 4675 1 250 . 1 1 48 48 LEU HB3 H 1 1.517 0.01 . 1 . . . . . . . . 4675 1 251 . 1 1 48 48 LEU HB2 H 1 2.017 0.01 . 1 . . . . . . . . 4675 1 252 . 1 1 48 48 LEU CG C 13 26.90 0.1 . 1 . . . . . . . . 4675 1 253 . 1 1 48 48 LEU HG H 1 1.783 0.01 . 1 . . . . . . . . 4675 1 254 . 1 1 48 48 LEU CD1 C 13 25.88 0.1 . 1 . . . . . . . . 4675 1 255 . 1 1 48 48 LEU CD2 C 13 23.13 0.1 . 1 . . . . . . . . 4675 1 256 . 1 1 49 49 ILE N N 15 117.77 0.1 . 1 . . . . . . . . 4675 1 257 . 1 1 49 49 ILE H H 1 8.492 0.01 . 1 . . . . . . . . 4675 1 258 . 1 1 49 49 ILE CA C 13 65.56 0.1 . 1 . . . . . . . . 4675 1 259 . 1 1 49 49 ILE HA H 1 3.012 0.01 . 1 . . . . . . . . 4675 1 260 . 1 1 49 49 ILE C C 13 177.52 0.1 . 1 . . . . . . . . 4675 1 261 . 1 1 49 49 ILE CB C 13 38.15 0.1 . 1 . . . . . . . . 4675 1 262 . 1 1 49 49 ILE HB H 1 1.496 0.01 . 1 . . . . . . . . 4675 1 263 . 1 1 49 49 ILE CG1 C 13 29.56 0.1 . 1 . . . . . . . . 4675 1 264 . 1 1 49 49 ILE HG13 H 1 1.831 0.01 . 2 . . . . . . . . 4675 1 265 . 1 1 49 49 ILE HG12 H 1 0.401 0.01 . 2 . . . . . . . . 4675 1 266 . 1 1 49 49 ILE CG2 C 13 18.98 0.1 . 1 . . . . . . . . 4675 1 267 . 1 1 49 49 ILE CD1 C 13 15.34 0.1 . 1 . . . . . . . . 4675 1 268 . 1 1 50 50 SER N N 15 113.06 0.1 . 1 . . . . . . . . 4675 1 269 . 1 1 50 50 SER H H 1 7.912 0.01 . 1 . . . . . . . . 4675 1 270 . 1 1 50 50 SER CA C 13 62.95 0.1 . 1 . . . . . . . . 4675 1 271 . 1 1 50 50 SER HA H 1 4.093 0.01 . 1 . . . . . . . . 4675 1 272 . 1 1 50 50 SER C C 13 175.21 0.1 . 1 . . . . . . . . 4675 1 273 . 1 1 50 50 SER CB C 13 62.91 0.1 . 1 . . . . . . . . 4675 1 274 . 1 1 51 51 GLN N N 15 120.54 0.1 . 1 . . . . . . . . 4675 1 275 . 1 1 51 51 GLN H H 1 7.719 0.01 . 1 . . . . . . . . 4675 1 276 . 1 1 51 51 GLN CA C 13 58.88 0.1 . 1 . . . . . . . . 4675 1 277 . 1 1 51 51 GLN HA H 1 3.841 0.01 . 1 . . . . . . . . 4675 1 278 . 1 1 51 51 GLN C C 13 178.34 0.1 . 1 . . . . . . . . 4675 1 279 . 1 1 51 51 GLN CB C 13 28.50 0.1 . 1 . . . . . . . . 4675 1 280 . 1 1 51 51 GLN HB3 H 1 2.123 0.01 . 2 . . . . . . . . 4675 1 281 . 1 1 51 51 GLN HB2 H 1 2.193 0.01 . 2 . . . . . . . . 4675 1 282 . 1 1 51 51 GLN CG C 13 34.31 0.1 . 1 . . . . . . . . 4675 1 283 . 1 1 51 51 GLN HG3 H 1 2.389 0.01 . 2 . . . . . . . . 4675 1 284 . 1 1 51 51 GLN HG2 H 1 2.600 0.01 . 2 . . . . . . . . 4675 1 285 . 1 1 51 51 GLN NE2 N 15 109.81 0.1 . 1 . . . . . . . . 4675 1 286 . 1 1 51 51 GLN HE21 H 1 6.776 0.01 . 1 . . . . . . . . 4675 1 287 . 1 1 51 51 GLN HE22 H 1 7.443 0.01 . 1 . . . . . . . . 4675 1 288 . 1 1 52 52 ALA N N 15 123.79 0.1 . 1 . . . . . . . . 4675 1 289 . 1 1 52 52 ALA H H 1 7.382 0.01 . 1 . . . . . . . . 4675 1 290 . 1 1 52 52 ALA CA C 13 54.77 0.1 . 1 . . . . . . . . 4675 1 291 . 1 1 52 52 ALA HA H 1 2.003 0.01 . 1 . . . . . . . . 4675 1 292 . 1 1 52 52 ALA C C 13 179.52 0.1 . 1 . . . . . . . . 4675 1 293 . 1 1 52 52 ALA CB C 13 16.78 0.1 . 1 . . . . . . . . 4675 1 294 . 1 1 53 53 ILE N N 15 117.72 0.1 . 1 . . . . . . . . 4675 1 295 . 1 1 53 53 ILE H H 1 7.786 0.01 . 1 . . . . . . . . 4675 1 296 . 1 1 53 53 ILE CA C 13 66.16 0.1 . 1 . . . . . . . . 4675 1 297 . 1 1 53 53 ILE HA H 1 3.165 0.01 . 1 . . . . . . . . 4675 1 298 . 1 1 53 53 ILE C C 13 177.75 0.1 . 1 . . . . . . . . 4675 1 299 . 1 1 53 53 ILE CB C 13 38.49 0.1 . 1 . . . . . . . . 4675 1 300 . 1 1 53 53 ILE HB H 1 1.614 0.01 . 1 . . . . . . . . 4675 1 301 . 1 1 53 53 ILE CG1 C 13 30.00 0.1 . 1 . . . . . . . . 4675 1 302 . 1 1 53 53 ILE HG13 H 1 1.677 0.01 . 2 . . . . . . . . 4675 1 303 . 1 1 53 53 ILE HG12 H 1 0.642 0.01 . 2 . . . . . . . . 4675 1 304 . 1 1 53 53 ILE CG2 C 13 18.83 0.1 . 1 . . . . . . . . 4675 1 305 . 1 1 53 53 ILE CD1 C 13 14.30 0.1 . 1 . . . . . . . . 4675 1 306 . 1 1 54 54 GLU N N 15 116.20 0.1 . 1 . . . . . . . . 4675 1 307 . 1 1 54 54 GLU H H 1 8.360 0.01 . 1 . . . . . . . . 4675 1 308 . 1 1 54 54 GLU CA C 13 58.87 0.1 . 1 . . . . . . . . 4675 1 309 . 1 1 54 54 GLU HA H 1 3.897 0.01 . 1 . . . . . . . . 4675 1 310 . 1 1 54 54 GLU C C 13 177.73 0.1 . 1 . . . . . . . . 4675 1 311 . 1 1 54 54 GLU CB C 13 29.83 0.1 . 1 . . . . . . . . 4675 1 312 . 1 1 54 54 GLU HB3 H 1 1.958 0.01 . 1 . . . . . . . . 4675 1 313 . 1 1 54 54 GLU HB2 H 1 2.035 0.01 . 1 . . . . . . . . 4675 1 314 . 1 1 54 54 GLU CG C 13 37.20 0.1 . 1 . . . . . . . . 4675 1 315 . 1 1 54 54 GLU HG3 H 1 2.343 0.01 . 2 . . . . . . . . 4675 1 316 . 1 1 54 54 GLU HG2 H 1 2.226 0.01 . 2 . . . . . . . . 4675 1 317 . 1 1 55 55 SER N N 15 111.69 0.1 . 1 . . . . . . . . 4675 1 318 . 1 1 55 55 SER H H 1 7.373 0.01 . 1 . . . . . . . . 4675 1 319 . 1 1 55 55 SER CA C 13 59.28 0.1 . 1 . . . . . . . . 4675 1 320 . 1 1 55 55 SER HA H 1 4.346 0.01 . 1 . . . . . . . . 4675 1 321 . 1 1 55 55 SER C C 13 173.90 0.1 . 1 . . . . . . . . 4675 1 322 . 1 1 55 55 SER CB C 13 63.97 0.1 . 1 . . . . . . . . 4675 1 323 . 1 1 56 56 ALA N N 15 128.27 0.1 . 1 . . . . . . . . 4675 1 324 . 1 1 56 56 ALA H H 1 7.462 0.01 . 1 . . . . . . . . 4675 1 325 . 1 1 56 56 ALA CA C 13 50.32 0.1 . 1 . . . . . . . . 4675 1 326 . 1 1 56 56 ALA HA H 1 4.707 0.01 . 1 . . . . . . . . 4675 1 327 . 1 1 56 56 ALA CB C 13 18.76 0.1 . 1 . . . . . . . . 4675 1 328 . 1 1 57 57 PRO CA C 13 65.53 0.1 . 1 . . . . . . . . 4675 1 329 . 1 1 57 57 PRO HA H 1 4.319 0.01 . 1 . . . . . . . . 4675 1 330 . 1 1 57 57 PRO CB C 13 31.93 0.1 . 1 . . . . . . . . 4675 1 331 . 1 1 57 57 PRO HB3 H 1 1.971 0.01 . 2 . . . . . . . . 4675 1 332 . 1 1 57 57 PRO HB2 H 1 2.409 0.01 . 2 . . . . . . . . 4675 1 333 . 1 1 57 57 PRO CG C 13 27.91 0.1 . 1 . . . . . . . . 4675 1 334 . 1 1 57 57 PRO HG3 H 1 2.127 0.01 . 2 . . . . . . . . 4675 1 335 . 1 1 57 57 PRO HG2 H 1 2.225 0.01 . 2 . . . . . . . . 4675 1 336 . 1 1 57 57 PRO CD C 13 50.67 0.1 . 1 . . . . . . . . 4675 1 337 . 1 1 57 57 PRO HD3 H 1 3.902 0.01 . 2 . . . . . . . . 4675 1 338 . 1 1 57 57 PRO HD2 H 1 4.045 0.01 . 2 . . . . . . . . 4675 1 339 . 1 1 58 58 GLU CA C 13 56.29 0.1 . 1 . . . . . . . . 4675 1 340 . 1 1 58 58 GLU C C 13 175.85 0.1 . 1 . . . . . . . . 4675 1 341 . 1 1 59 59 LYS N N 15 113.76 0.1 . 1 . . . . . . . . 4675 1 342 . 1 1 59 59 LYS H H 1 8.161 0.01 . 1 . . . . . . . . 4675 1 343 . 1 1 59 59 LYS CA C 13 56.01 0.1 . 1 . . . . . . . . 4675 1 344 . 1 1 59 59 LYS HA H 1 4.244 0.01 . 1 . . . . . . . . 4675 1 345 . 1 1 59 59 LYS C C 13 173.87 0.1 . 1 . . . . . . . . 4675 1 346 . 1 1 59 59 LYS CB C 13 29.12 0.1 . 1 . . . . . . . . 4675 1 347 . 1 1 59 59 LYS HB3 H 1 2.019 0.01 . 2 . . . . . . . . 4675 1 348 . 1 1 59 59 LYS HB2 H 1 1.713 0.01 . 2 . . . . . . . . 4675 1 349 . 1 1 59 59 LYS CG C 13 24.94 0.1 . 1 . . . . . . . . 4675 1 350 . 1 1 59 59 LYS HG3 H 1 1.300 0.01 . 2 . . . . . . . . 4675 1 351 . 1 1 59 59 LYS HG2 H 1 1.395 0.01 . 2 . . . . . . . . 4675 1 352 . 1 1 59 59 LYS CD C 13 28.88 0.1 . 1 . . . . . . . . 4675 1 353 . 1 1 59 59 LYS HD3 H 1 1.606 0.01 . 2 . . . . . . . . 4675 1 354 . 1 1 59 59 LYS HD2 H 1 1.876 0.01 . 2 . . . . . . . . 4675 1 355 . 1 1 59 59 LYS CE C 13 42.68 0.1 . 1 . . . . . . . . 4675 1 356 . 1 1 59 59 LYS HE3 H 1 3.015 0.01 . 2 . . . . . . . . 4675 1 357 . 1 1 59 59 LYS HE2 H 1 3.057 0.01 . 2 . . . . . . . . 4675 1 358 . 1 1 60 60 ARG N N 15 109.68 0.1 . 1 . . . . . . . . 4675 1 359 . 1 1 60 60 ARG H H 1 6.757 0.01 . 1 . . . . . . . . 4675 1 360 . 1 1 60 60 ARG CA C 13 53.93 0.1 . 1 . . . . . . . . 4675 1 361 . 1 1 60 60 ARG HA H 1 5.314 0.01 . 1 . . . . . . . . 4675 1 362 . 1 1 60 60 ARG C C 13 173.82 0.1 . 1 . . . . . . . . 4675 1 363 . 1 1 60 60 ARG CB C 13 32.69 0.1 . 1 . . . . . . . . 4675 1 364 . 1 1 60 60 ARG HB3 H 1 1.619 0.01 . 1 . . . . . . . . 4675 1 365 . 1 1 60 60 ARG HB2 H 1 1.248 0.01 . 1 . . . . . . . . 4675 1 366 . 1 1 60 60 ARG CG C 13 24.33 0.1 . 1 . . . . . . . . 4675 1 367 . 1 1 60 60 ARG HG3 H 1 0.607 0.01 . 2 . . . . . . . . 4675 1 368 . 1 1 60 60 ARG HG2 H 1 1.138 0.01 . 2 . . . . . . . . 4675 1 369 . 1 1 60 60 ARG CD C 13 43.23 0.1 . 1 . . . . . . . . 4675 1 370 . 1 1 60 60 ARG HD3 H 1 1.587 0.01 . 2 . . . . . . . . 4675 1 371 . 1 1 60 60 ARG HD2 H 1 2.130 0.01 . 2 . . . . . . . . 4675 1 372 . 1 1 60 60 ARG NE N 15 84.57 0.1 . 1 . . . . . . . . 4675 1 373 . 1 1 60 60 ARG HE H 1 6.074 0.01 . 1 . . . . . . . . 4675 1 374 . 1 1 61 61 LEU N N 15 120.13 0.1 . 1 . . . . . . . . 4675 1 375 . 1 1 61 61 LEU H H 1 8.617 0.01 . 1 . . . . . . . . 4675 1 376 . 1 1 61 61 LEU CA C 13 54.17 0.1 . 1 . . . . . . . . 4675 1 377 . 1 1 61 61 LEU HA H 1 5.260 0.01 . 1 . . . . . . . . 4675 1 378 . 1 1 61 61 LEU C C 13 177.20 0.1 . 1 . . . . . . . . 4675 1 379 . 1 1 61 61 LEU CB C 13 49.63 0.1 . 1 . . . . . . . . 4675 1 380 . 1 1 61 61 LEU HB3 H 1 1.851 0.01 . 1 . . . . . . . . 4675 1 381 . 1 1 61 61 LEU HB2 H 1 1.427 0.01 . 1 . . . . . . . . 4675 1 382 . 1 1 61 61 LEU CG C 13 27.25 0.1 . 1 . . . . . . . . 4675 1 383 . 1 1 61 61 LEU HG H 1 1.404 0.01 . 1 . . . . . . . . 4675 1 384 . 1 1 61 61 LEU CD1 C 13 27.08 0.1 . 1 . . . . . . . . 4675 1 385 . 1 1 61 61 LEU CD2 C 13 23.89 0.1 . 1 . . . . . . . . 4675 1 386 . 1 1 62 62 THR N N 15 112.50 0.1 . 1 . . . . . . . . 4675 1 387 . 1 1 62 62 THR H H 1 8.892 0.01 . 1 . . . . . . . . 4675 1 388 . 1 1 62 62 THR CA C 13 60.60 0.1 . 1 . . . . . . . . 4675 1 389 . 1 1 62 62 THR HA H 1 4.983 0.01 . 1 . . . . . . . . 4675 1 390 . 1 1 62 62 THR C C 13 175.56 0.1 . 1 . . . . . . . . 4675 1 391 . 1 1 62 62 THR CB C 13 71.14 0.1 . 1 . . . . . . . . 4675 1 392 . 1 1 62 62 THR HB H 1 4.586 0.01 . 1 . . . . . . . . 4675 1 393 . 1 1 62 62 THR CG2 C 13 21.39 0.1 . 1 . . . . . . . . 4675 1 394 . 1 1 63 63 LEU N N 15 122.29 0.1 . 1 . . . . . . . . 4675 1 395 . 1 1 63 63 LEU H H 1 9.309 0.01 . 1 . . . . . . . . 4675 1 396 . 1 1 63 63 LEU CA C 13 58.68 0.1 . 1 . . . . . . . . 4675 1 397 . 1 1 63 63 LEU HA H 1 3.687 0.01 . 1 . . . . . . . . 4675 1 398 . 1 1 63 63 LEU C C 13 177.75 0.1 . 1 . . . . . . . . 4675 1 399 . 1 1 63 63 LEU CB C 13 41.74 0.1 . 1 . . . . . . . . 4675 1 400 . 1 1 63 63 LEU HB3 H 1 1.722 0.01 . 1 . . . . . . . . 4675 1 401 . 1 1 63 63 LEU HB2 H 1 1.503 0.01 . 1 . . . . . . . . 4675 1 402 . 1 1 63 63 LEU CG C 13 26.73 0.1 . 1 . . . . . . . . 4675 1 403 . 1 1 63 63 LEU HG H 1 0.966 0.01 . 1 . . . . . . . . 4675 1 404 . 1 1 63 63 LEU CD1 C 13 23.86 0.1 . 1 . . . . . . . . 4675 1 405 . 1 1 63 63 LEU CD2 C 13 25.65 0.1 . 1 . . . . . . . . 4675 1 406 . 1 1 64 64 ALA N N 15 117.89 0.1 . 1 . . . . . . . . 4675 1 407 . 1 1 64 64 ALA H H 1 8.255 0.01 . 1 . . . . . . . . 4675 1 408 . 1 1 64 64 ALA CA C 13 55.36 0.1 . 1 . . . . . . . . 4675 1 409 . 1 1 64 64 ALA HA H 1 3.927 0.01 . 1 . . . . . . . . 4675 1 410 . 1 1 64 64 ALA C C 13 181.15 0.1 . 1 . . . . . . . . 4675 1 411 . 1 1 64 64 ALA CB C 13 18.28 0.1 . 1 . . . . . . . . 4675 1 412 . 1 1 65 65 GLN N N 15 116.34 0.1 . 1 . . . . . . . . 4675 1 413 . 1 1 65 65 GLN H H 1 7.639 0.01 . 1 . . . . . . . . 4675 1 414 . 1 1 65 65 GLN CA C 13 58.52 0.1 . 1 . . . . . . . . 4675 1 415 . 1 1 65 65 GLN HA H 1 4.177 0.01 . 1 . . . . . . . . 4675 1 416 . 1 1 65 65 GLN C C 13 180.08 0.1 . 1 . . . . . . . . 4675 1 417 . 1 1 65 65 GLN CB C 13 30.50 0.1 . 1 . . . . . . . . 4675 1 418 . 1 1 65 65 GLN HB3 H 1 2.170 0.01 . 1 . . . . . . . . 4675 1 419 . 1 1 65 65 GLN HB2 H 1 2.571 0.01 . 1 . . . . . . . . 4675 1 420 . 1 1 65 65 GLN CG C 13 35.05 0.1 . 1 . . . . . . . . 4675 1 421 . 1 1 65 65 GLN NE2 N 15 110.57 0.1 . 1 . . . . . . . . 4675 1 422 . 1 1 65 65 GLN HE21 H 1 6.809 0.01 . 1 . . . . . . . . 4675 1 423 . 1 1 65 65 GLN HE22 H 1 7.540 0.01 . 1 . . . . . . . . 4675 1 424 . 1 1 66 66 ILE N N 15 124.58 0.1 . 1 . . . . . . . . 4675 1 425 . 1 1 66 66 ILE H H 1 8.352 0.01 . 1 . . . . . . . . 4675 1 426 . 1 1 66 66 ILE CA C 13 66.67 0.1 . 1 . . . . . . . . 4675 1 427 . 1 1 66 66 ILE HA H 1 3.529 0.01 . 1 . . . . . . . . 4675 1 428 . 1 1 66 66 ILE C C 13 177.86 0.1 . 1 . . . . . . . . 4675 1 429 . 1 1 66 66 ILE CB C 13 37.72 0.1 . 1 . . . . . . . . 4675 1 430 . 1 1 66 66 ILE HB H 1 1.958 0.01 . 1 . . . . . . . . 4675 1 431 . 1 1 66 66 ILE CG1 C 13 30.89 0.1 . 1 . . . . . . . . 4675 1 432 . 1 1 66 66 ILE HG13 H 1 0.431 0.01 . 2 . . . . . . . . 4675 1 433 . 1 1 66 66 ILE HG12 H 1 1.899 0.01 . 2 . . . . . . . . 4675 1 434 . 1 1 66 66 ILE CG2 C 13 18.23 0.1 . 1 . . . . . . . . 4675 1 435 . 1 1 66 66 ILE CD1 C 13 13.78 0.1 . 1 . . . . . . . . 4675 1 436 . 1 1 67 67 TYR N N 15 118.38 0.1 . 1 . . . . . . . . 4675 1 437 . 1 1 67 67 TYR H H 1 8.193 0.01 . 1 . . . . . . . . 4675 1 438 . 1 1 67 67 TYR CA C 13 59.31 0.1 . 1 . . . . . . . . 4675 1 439 . 1 1 67 67 TYR HA H 1 4.537 0.01 . 1 . . . . . . . . 4675 1 440 . 1 1 67 67 TYR C C 13 178.24 0.1 . 1 . . . . . . . . 4675 1 441 . 1 1 67 67 TYR CB C 13 36.84 0.1 . 1 . . . . . . . . 4675 1 442 . 1 1 67 67 TYR HB3 H 1 3.258 0.01 . 2 . . . . . . . . 4675 1 443 . 1 1 67 67 TYR HB2 H 1 3.326 0.01 . 2 . . . . . . . . 4675 1 444 . 1 1 68 68 GLU N N 15 117.69 0.1 . 1 . . . . . . . . 4675 1 445 . 1 1 68 68 GLU H H 1 8.138 0.01 . 1 . . . . . . . . 4675 1 446 . 1 1 68 68 GLU CA C 13 59.59 0.1 . 1 . . . . . . . . 4675 1 447 . 1 1 68 68 GLU HA H 1 4.002 0.01 . 1 . . . . . . . . 4675 1 448 . 1 1 68 68 GLU C C 13 178.45 0.1 . 1 . . . . . . . . 4675 1 449 . 1 1 68 68 GLU CB C 13 29.75 0.1 . 1 . . . . . . . . 4675 1 450 . 1 1 68 68 GLU HB3 H 1 2.141 0.01 . 1 . . . . . . . . 4675 1 451 . 1 1 68 68 GLU HB2 H 1 2.200 0.01 . 1 . . . . . . . . 4675 1 452 . 1 1 68 68 GLU CG C 13 36.54 0.1 . 1 . . . . . . . . 4675 1 453 . 1 1 68 68 GLU HG3 H 1 2.324 0.01 . 2 . . . . . . . . 4675 1 454 . 1 1 68 68 GLU HG2 H 1 2.521 0.01 . 2 . . . . . . . . 4675 1 455 . 1 1 69 69 TRP N N 15 120.62 0.1 . 1 . . . . . . . . 4675 1 456 . 1 1 69 69 TRP H H 1 8.247 0.01 . 1 . . . . . . . . 4675 1 457 . 1 1 69 69 TRP CA C 13 62.66 0.1 . 1 . . . . . . . . 4675 1 458 . 1 1 69 69 TRP HA H 1 3.955 0.01 . 1 . . . . . . . . 4675 1 459 . 1 1 69 69 TRP C C 13 179.57 0.1 . 1 . . . . . . . . 4675 1 460 . 1 1 69 69 TRP CB C 13 29.03 0.1 . 1 . . . . . . . . 4675 1 461 . 1 1 69 69 TRP HB3 H 1 3.515 0.01 . 2 . . . . . . . . 4675 1 462 . 1 1 69 69 TRP HB2 H 1 3.296 0.01 . 2 . . . . . . . . 4675 1 463 . 1 1 69 69 TRP CD1 C 13 126.81 0.1 . 1 . . . . . . . . 4675 1 464 . 1 1 69 69 TRP HD1 H 1 7.248 0.01 . 1 . . . . . . . . 4675 1 465 . 1 1 69 69 TRP NE1 N 15 129.03 0.1 . 1 . . . . . . . . 4675 1 466 . 1 1 69 69 TRP HE1 H 1 9.913 0.01 . 1 . . . . . . . . 4675 1 467 . 1 1 69 69 TRP CE3 C 13 119.98 0.1 . 1 . . . . . . . . 4675 1 468 . 1 1 69 69 TRP HE3 H 1 7.215 0.01 . 1 . . . . . . . . 4675 1 469 . 1 1 69 69 TRP CZ2 C 13 114.21 0.1 . 1 . . . . . . . . 4675 1 470 . 1 1 69 69 TRP HZ2 H 1 7.307 0.01 . 1 . . . . . . . . 4675 1 471 . 1 1 69 69 TRP CZ3 C 13 122.22 0.1 . 1 . . . . . . . . 4675 1 472 . 1 1 69 69 TRP HZ3 H 1 6.864 0.01 . 1 . . . . . . . . 4675 1 473 . 1 1 69 69 TRP CH2 C 13 124.70 0.1 . 1 . . . . . . . . 4675 1 474 . 1 1 69 69 TRP HH2 H 1 7.028 0.01 . 1 . . . . . . . . 4675 1 475 . 1 1 70 70 MET N N 15 119.50 0.1 . 1 . . . . . . . . 4675 1 476 . 1 1 70 70 MET H H 1 8.399 0.01 . 1 . . . . . . . . 4675 1 477 . 1 1 70 70 MET CA C 13 58.74 0.1 . 1 . . . . . . . . 4675 1 478 . 1 1 70 70 MET HA H 1 3.919 0.01 . 1 . . . . . . . . 4675 1 479 . 1 1 70 70 MET CB C 13 31.67 0.1 . 1 . . . . . . . . 4675 1 480 . 1 1 70 70 MET HB3 H 1 1.267 0.01 . 1 . . . . . . . . 4675 1 481 . 1 1 70 70 MET HB2 H 1 2.321 0.01 . 1 . . . . . . . . 4675 1 482 . 1 1 70 70 MET CG C 13 33.64 0.1 . 1 . . . . . . . . 4675 1 483 . 1 1 70 70 MET HG3 H 1 2.785 0.01 . 2 . . . . . . . . 4675 1 484 . 1 1 70 70 MET HG2 H 1 2.740 0.01 . 2 . . . . . . . . 4675 1 485 . 1 1 70 70 MET CE C 13 18.20 0.1 . 1 . . . . . . . . 4675 1 486 . 1 1 71 71 VAL N N 15 115.62 0.1 . 1 . . . . . . . . 4675 1 487 . 1 1 71 71 VAL H H 1 7.578 0.01 . 1 . . . . . . . . 4675 1 488 . 1 1 71 71 VAL CA C 13 64.98 0.1 . 1 . . . . . . . . 4675 1 489 . 1 1 71 71 VAL HA H 1 3.413 0.01 . 1 . . . . . . . . 4675 1 490 . 1 1 71 71 VAL C C 13 177.49 0.1 . 1 . . . . . . . . 4675 1 491 . 1 1 71 71 VAL CB C 13 32.09 0.1 . 1 . . . . . . . . 4675 1 492 . 1 1 71 71 VAL HB H 1 2.041 0.01 . 1 . . . . . . . . 4675 1 493 . 1 1 71 71 VAL CG1 C 13 21.57 0.1 . 1 . . . . . . . . 4675 1 494 . 1 1 71 71 VAL CG2 C 13 22.59 0.1 . 1 . . . . . . . . 4675 1 495 . 1 1 72 72 ARG N N 15 116.72 0.1 . 1 . . . . . . . . 4675 1 496 . 1 1 72 72 ARG H H 1 7.668 0.01 . 1 . . . . . . . . 4675 1 497 . 1 1 72 72 ARG CA C 13 57.90 0.1 . 1 . . . . . . . . 4675 1 498 . 1 1 72 72 ARG HA H 1 4.076 0.01 . 1 . . . . . . . . 4675 1 499 . 1 1 72 72 ARG C C 13 178.10 0.1 . 1 . . . . . . . . 4675 1 500 . 1 1 72 72 ARG CB C 13 31.22 0.1 . 1 . . . . . . . . 4675 1 501 . 1 1 72 72 ARG HB3 H 1 1.647 0.01 . 2 . . . . . . . . 4675 1 502 . 1 1 72 72 ARG HB2 H 1 1.743 0.01 . 2 . . . . . . . . 4675 1 503 . 1 1 72 72 ARG CG C 13 27.65 0.1 . 1 . . . . . . . . 4675 1 504 . 1 1 72 72 ARG HG3 H 1 1.526 0.01 . 2 . . . . . . . . 4675 1 505 . 1 1 72 72 ARG HG2 H 1 1.640 0.01 . 2 . . . . . . . . 4675 1 506 . 1 1 72 72 ARG CD C 13 43.48 0.1 . 1 . . . . . . . . 4675 1 507 . 1 1 72 72 ARG NE N 15 112.91 0.1 . 1 . . . . . . . . 4675 1 508 . 1 1 72 72 ARG HE H 1 7.382 0.01 . 1 . . . . . . . . 4675 1 509 . 1 1 73 73 THR N N 15 112.00 0.1 . 1 . . . . . . . . 4675 1 510 . 1 1 73 73 THR H H 1 7.506 0.01 . 1 . . . . . . . . 4675 1 511 . 1 1 73 73 THR CA C 13 64.47 0.1 . 1 . . . . . . . . 4675 1 512 . 1 1 73 73 THR HA H 1 3.877 0.01 . 1 . . . . . . . . 4675 1 513 . 1 1 73 73 THR C C 13 174.18 0.1 . 1 . . . . . . . . 4675 1 514 . 1 1 73 73 THR CB C 13 69.75 0.1 . 1 . . . . . . . . 4675 1 515 . 1 1 73 73 THR HB H 1 2.758 0.01 . 1 . . . . . . . . 4675 1 516 . 1 1 73 73 THR CG2 C 13 21.13 0.1 . 1 . . . . . . . . 4675 1 517 . 1 1 74 74 VAL N N 15 124.31 0.1 . 1 . . . . . . . . 4675 1 518 . 1 1 74 74 VAL H H 1 7.972 0.01 . 1 . . . . . . . . 4675 1 519 . 1 1 74 74 VAL CA C 13 60.01 0.1 . 1 . . . . . . . . 4675 1 520 . 1 1 74 74 VAL HA H 1 4.254 0.01 . 1 . . . . . . . . 4675 1 521 . 1 1 74 74 VAL CB C 13 32.29 0.1 . 1 . . . . . . . . 4675 1 522 . 1 1 74 74 VAL HB H 1 2.327 0.01 . 1 . . . . . . . . 4675 1 523 . 1 1 74 74 VAL CG1 C 13 21.77 0.1 . 1 . . . . . . . . 4675 1 524 . 1 1 74 74 VAL CG2 C 13 21.66 0.1 . 1 . . . . . . . . 4675 1 525 . 1 1 75 75 PRO CA C 13 66.10 0.1 . 1 . . . . . . . . 4675 1 526 . 1 1 75 75 PRO HA H 1 4.025 0.01 . 1 . . . . . . . . 4675 1 527 . 1 1 75 75 PRO C C 13 177.68 0.1 . 1 . . . . . . . . 4675 1 528 . 1 1 75 75 PRO CB C 13 31.99 0.1 . 1 . . . . . . . . 4675 1 529 . 1 1 75 75 PRO HB3 H 1 1.903 0.01 . 2 . . . . . . . . 4675 1 530 . 1 1 75 75 PRO HB2 H 1 2.290 0.01 . 2 . . . . . . . . 4675 1 531 . 1 1 75 75 PRO CG C 13 27.41 0.1 . 1 . . . . . . . . 4675 1 532 . 1 1 75 75 PRO HG3 H 1 1.903 0.01 . 2 . . . . . . . . 4675 1 533 . 1 1 75 75 PRO HG2 H 1 2.046 0.01 . 2 . . . . . . . . 4675 1 534 . 1 1 75 75 PRO CD C 13 51.11 0.1 . 1 . . . . . . . . 4675 1 535 . 1 1 75 75 PRO HD3 H 1 3.685 0.01 . 2 . . . . . . . . 4675 1 536 . 1 1 75 75 PRO HD2 H 1 3.984 0.01 . 2 . . . . . . . . 4675 1 537 . 1 1 76 76 TYR N N 15 115.61 0.1 . 1 . . . . . . . . 4675 1 538 . 1 1 76 76 TYR H H 1 7.824 0.01 . 1 . . . . . . . . 4675 1 539 . 1 1 76 76 TYR CA C 13 60.45 0.1 . 1 . . . . . . . . 4675 1 540 . 1 1 76 76 TYR HA H 1 4.008 0.01 . 1 . . . . . . . . 4675 1 541 . 1 1 76 76 TYR C C 13 175.60 0.1 . 1 . . . . . . . . 4675 1 542 . 1 1 76 76 TYR CB C 13 39.17 0.1 . 1 . . . . . . . . 4675 1 543 . 1 1 76 76 TYR HB3 H 1 2.072 0.01 . 1 . . . . . . . . 4675 1 544 . 1 1 76 76 TYR HB2 H 1 2.987 0.01 . 1 . . . . . . . . 4675 1 545 . 1 1 77 77 PHE N N 15 113.89 0.1 . 1 . . . . . . . . 4675 1 546 . 1 1 77 77 PHE H H 1 7.406 0.01 . 1 . . . . . . . . 4675 1 547 . 1 1 77 77 PHE CA C 13 58.38 0.1 . 1 . . . . . . . . 4675 1 548 . 1 1 77 77 PHE HA H 1 3.880 0.01 . 1 . . . . . . . . 4675 1 549 . 1 1 77 77 PHE C C 13 176.00 0.1 . 1 . . . . . . . . 4675 1 550 . 1 1 77 77 PHE CB C 13 38.16 0.1 . 1 . . . . . . . . 4675 1 551 . 1 1 77 77 PHE HB3 H 1 2.313 0.01 . 1 . . . . . . . . 4675 1 552 . 1 1 77 77 PHE HB2 H 1 2.423 0.01 . 1 . . . . . . . . 4675 1 553 . 1 1 77 77 PHE CZ C 13 129.54 0.1 . 1 . . . . . . . . 4675 1 554 . 1 1 77 77 PHE HZ H 1 6.498 0.01 . 1 . . . . . . . . 4675 1 555 . 1 1 78 78 LYS N N 15 120.13 0.1 . 1 . . . . . . . . 4675 1 556 . 1 1 78 78 LYS H H 1 7.490 0.01 . 1 . . . . . . . . 4675 1 557 . 1 1 78 78 LYS CA C 13 58.76 0.1 . 1 . . . . . . . . 4675 1 558 . 1 1 78 78 LYS HA H 1 4.205 0.01 . 1 . . . . . . . . 4675 1 559 . 1 1 78 78 LYS C C 13 177.49 0.1 . 1 . . . . . . . . 4675 1 560 . 1 1 78 78 LYS CB C 13 32.88 0.1 . 1 . . . . . . . . 4675 1 561 . 1 1 78 78 LYS HB3 H 1 1.771 0.01 . 2 . . . . . . . . 4675 1 562 . 1 1 78 78 LYS HB2 H 1 1.942 0.01 . 2 . . . . . . . . 4675 1 563 . 1 1 78 78 LYS CG C 13 24.60 0.1 . 1 . . . . . . . . 4675 1 564 . 1 1 78 78 LYS CD C 13 29.16 0.1 . 1 . . . . . . . . 4675 1 565 . 1 1 78 78 LYS CE C 13 41.95 0.1 . 1 . . . . . . . . 4675 1 566 . 1 1 79 79 ASP N N 15 117.15 0.1 . 1 . . . . . . . . 4675 1 567 . 1 1 79 79 ASP H H 1 8.094 0.01 . 1 . . . . . . . . 4675 1 568 . 1 1 79 79 ASP CA C 13 54.06 0.1 . 1 . . . . . . . . 4675 1 569 . 1 1 79 79 ASP HA H 1 4.694 0.01 . 1 . . . . . . . . 4675 1 570 . 1 1 79 79 ASP C C 13 176.74 0.1 . 1 . . . . . . . . 4675 1 571 . 1 1 79 79 ASP CB C 13 40.71 0.1 . 1 . . . . . . . . 4675 1 572 . 1 1 79 79 ASP HB3 H 1 2.619 0.01 . 2 . . . . . . . . 4675 1 573 . 1 1 79 79 ASP HB2 H 1 2.772 0.01 . 2 . . . . . . . . 4675 1 574 . 1 1 80 80 LYS N N 15 119.63 0.1 . 1 . . . . . . . . 4675 1 575 . 1 1 80 80 LYS H H 1 7.763 0.01 . 1 . . . . . . . . 4675 1 576 . 1 1 80 80 LYS CA C 13 55.56 0.1 . 1 . . . . . . . . 4675 1 577 . 1 1 80 80 LYS HA H 1 4.612 0.01 . 1 . . . . . . . . 4675 1 578 . 1 1 80 80 LYS C C 13 177.24 0.1 . 1 . . . . . . . . 4675 1 579 . 1 1 80 80 LYS CB C 13 32.68 0.1 . 1 . . . . . . . . 4675 1 580 . 1 1 80 80 LYS HB3 H 1 2.147 0.01 . 1 . . . . . . . . 4675 1 581 . 1 1 80 80 LYS HB2 H 1 1.614 0.01 . 1 . . . . . . . . 4675 1 582 . 1 1 80 80 LYS CG C 13 24.88 0.1 . 1 . . . . . . . . 4675 1 583 . 1 1 80 80 LYS HG3 H 1 1.213 0.01 . 2 . . . . . . . . 4675 1 584 . 1 1 80 80 LYS HG2 H 1 1.350 0.01 . 2 . . . . . . . . 4675 1 585 . 1 1 80 80 LYS CD C 13 28.66 0.1 . 1 . . . . . . . . 4675 1 586 . 1 1 80 80 LYS HD3 H 1 1.594 0.01 . 2 . . . . . . . . 4675 1 587 . 1 1 80 80 LYS HD2 H 1 1.250 0.01 . 2 . . . . . . . . 4675 1 588 . 1 1 80 80 LYS CE C 13 42.21 0.1 . 1 . . . . . . . . 4675 1 589 . 1 1 80 80 LYS HE3 H 1 2.853 0.01 . 2 . . . . . . . . 4675 1 590 . 1 1 80 80 LYS HE2 H 1 2.687 0.01 . 2 . . . . . . . . 4675 1 591 . 1 1 81 81 GLY N N 15 108.27 0.1 . 1 . . . . . . . . 4675 1 592 . 1 1 81 81 GLY H H 1 8.476 0.01 . 1 . . . . . . . . 4675 1 593 . 1 1 81 81 GLY CA C 13 46.30 0.1 . 1 . . . . . . . . 4675 1 594 . 1 1 81 81 GLY HA3 H 1 4.169 0.01 . 2 . . . . . . . . 4675 1 595 . 1 1 81 81 GLY HA2 H 1 3.937 0.01 . 2 . . . . . . . . 4675 1 596 . 1 1 81 81 GLY C C 13 174.41 0.1 . 1 . . . . . . . . 4675 1 597 . 1 1 82 82 ASP N N 15 119.51 0.1 . 1 . . . . . . . . 4675 1 598 . 1 1 82 82 ASP H H 1 8.167 0.01 . 1 . . . . . . . . 4675 1 599 . 1 1 82 82 ASP CA C 13 53.74 0.1 . 1 . . . . . . . . 4675 1 600 . 1 1 82 82 ASP HA H 1 4.718 0.01 . 1 . . . . . . . . 4675 1 601 . 1 1 82 82 ASP C C 13 176.84 0.1 . 1 . . . . . . . . 4675 1 602 . 1 1 82 82 ASP CB C 13 41.39 0.1 . 1 . . . . . . . . 4675 1 603 . 1 1 82 82 ASP HB3 H 1 2.804 0.01 . 2 . . . . . . . . 4675 1 604 . 1 1 82 82 ASP HB2 H 1 2.732 0.01 . 2 . . . . . . . . 4675 1 605 . 1 1 83 83 SER N N 15 116.44 0.1 . 1 . . . . . . . . 4675 1 606 . 1 1 83 83 SER H H 1 8.442 0.01 . 1 . . . . . . . . 4675 1 607 . 1 1 83 83 SER CA C 13 60.21 0.1 . 1 . . . . . . . . 4675 1 608 . 1 1 83 83 SER HA H 1 4.208 0.01 . 1 . . . . . . . . 4675 1 609 . 1 1 83 83 SER C C 13 175.38 0.1 . 1 . . . . . . . . 4675 1 610 . 1 1 83 83 SER CB C 13 63.42 0.1 . 1 . . . . . . . . 4675 1 611 . 1 1 84 84 ASN N N 15 119.99 0.1 . 1 . . . . . . . . 4675 1 612 . 1 1 84 84 ASN H H 1 8.494 0.01 . 1 . . . . . . . . 4675 1 613 . 1 1 84 84 ASN CA C 13 54.62 0.1 . 1 . . . . . . . . 4675 1 614 . 1 1 84 84 ASN HA H 1 4.647 0.01 . 1 . . . . . . . . 4675 1 615 . 1 1 84 84 ASN C C 13 176.65 0.1 . 1 . . . . . . . . 4675 1 616 . 1 1 84 84 ASN CB C 13 38.76 0.1 . 1 . . . . . . . . 4675 1 617 . 1 1 84 84 ASN ND2 N 15 113.43 0.1 . 1 . . . . . . . . 4675 1 618 . 1 1 84 84 ASN HD21 H 1 6.925 0.01 . 1 . . . . . . . . 4675 1 619 . 1 1 84 84 ASN HD22 H 1 7.661 0.01 . 1 . . . . . . . . 4675 1 620 . 1 1 85 85 SER N N 15 115.88 0.1 . 1 . . . . . . . . 4675 1 621 . 1 1 85 85 SER H H 1 8.292 0.01 . 1 . . . . . . . . 4675 1 622 . 1 1 85 85 SER CA C 13 59.86 0.1 . 1 . . . . . . . . 4675 1 623 . 1 1 85 85 SER C C 13 175.46 0.1 . 1 . . . . . . . . 4675 1 624 . 1 1 85 85 SER CB C 13 63.70 0.1 . 1 . . . . . . . . 4675 1 625 . 1 1 86 86 SER N N 15 116.07 0.1 . 1 . . . . . . . . 4675 1 626 . 1 1 86 86 SER H H 1 8.122 0.01 . 1 . . . . . . . . 4675 1 627 . 1 1 86 86 SER CA C 13 59.23 0.1 . 1 . . . . . . . . 4675 1 628 . 1 1 86 86 SER HA H 1 4.279 0.01 . 1 . . . . . . . . 4675 1 629 . 1 1 86 86 SER C C 13 174.41 0.1 . 1 . . . . . . . . 4675 1 630 . 1 1 86 86 SER CB C 13 64.05 0.1 . 1 . . . . . . . . 4675 1 631 . 1 1 86 86 SER HB3 H 1 3.553 0.01 . 2 . . . . . . . . 4675 1 632 . 1 1 86 86 SER HB2 H 1 3.937 0.01 . 2 . . . . . . . . 4675 1 633 . 1 1 87 87 ALA N N 15 124.01 0.1 . 1 . . . . . . . . 4675 1 634 . 1 1 87 87 ALA H H 1 7.579 0.01 . 1 . . . . . . . . 4675 1 635 . 1 1 87 87 ALA CA C 13 54.08 0.1 . 1 . . . . . . . . 4675 1 636 . 1 1 87 87 ALA HA H 1 4.012 0.01 . 1 . . . . . . . . 4675 1 637 . 1 1 87 87 ALA C C 13 179.21 0.1 . 1 . . . . . . . . 4675 1 638 . 1 1 87 87 ALA CB C 13 18.89 0.1 . 1 . . . . . . . . 4675 1 639 . 1 1 88 88 GLY N N 15 106.88 0.1 . 1 . . . . . . . . 4675 1 640 . 1 1 88 88 GLY H H 1 8.240 0.01 . 1 . . . . . . . . 4675 1 641 . 1 1 88 88 GLY CA C 13 47.02 0.1 . 1 . . . . . . . . 4675 1 642 . 1 1 88 88 GLY HA3 H 1 3.888 0.01 . 2 . . . . . . . . 4675 1 643 . 1 1 88 88 GLY HA2 H 1 3.996 0.01 . 2 . . . . . . . . 4675 1 644 . 1 1 88 88 GLY C C 13 176.68 0.1 . 1 . . . . . . . . 4675 1 645 . 1 1 89 89 TRP N N 15 122.72 0.1 . 1 . . . . . . . . 4675 1 646 . 1 1 89 89 TRP H H 1 8.104 0.01 . 1 . . . . . . . . 4675 1 647 . 1 1 89 89 TRP CA C 13 59.50 0.1 . 1 . . . . . . . . 4675 1 648 . 1 1 89 89 TRP HA H 1 4.531 0.01 . 1 . . . . . . . . 4675 1 649 . 1 1 89 89 TRP C C 13 178.63 0.1 . 1 . . . . . . . . 4675 1 650 . 1 1 89 89 TRP CB C 13 28.79 0.1 . 1 . . . . . . . . 4675 1 651 . 1 1 89 89 TRP HB3 H 1 3.467 0.01 . 2 . . . . . . . . 4675 1 652 . 1 1 89 89 TRP HB2 H 1 3.348 0.01 . 2 . . . . . . . . 4675 1 653 . 1 1 89 89 TRP CD1 C 13 127.57 0.1 . 1 . . . . . . . . 4675 1 654 . 1 1 89 89 TRP HD1 H 1 7.548 0.01 . 1 . . . . . . . . 4675 1 655 . 1 1 89 89 TRP NE1 N 15 129.11 0.1 . 1 . . . . . . . . 4675 1 656 . 1 1 89 89 TRP HE1 H 1 10.114 0.1 . 1 . . . . . . . . 4675 1 657 . 1 1 89 89 TRP CZ2 C 13 114.25 0.1 . 1 . . . . . . . . 4675 1 658 . 1 1 89 89 TRP HZ2 H 1 7.211 0.01 . 1 . . . . . . . . 4675 1 659 . 1 1 89 89 TRP CZ3 C 13 121.25 0.1 . 1 . . . . . . . . 4675 1 660 . 1 1 89 89 TRP HZ3 H 1 6.739 0.01 . 1 . . . . . . . . 4675 1 661 . 1 1 89 89 TRP CH2 C 13 124.10 0.1 . 1 . . . . . . . . 4675 1 662 . 1 1 89 89 TRP HH2 H 1 7.078 0.01 . 1 . . . . . . . . 4675 1 663 . 1 1 90 90 LYS N N 15 122.04 0.1 . 1 . . . . . . . . 4675 1 664 . 1 1 90 90 LYS H H 1 7.365 0.01 . 1 . . . . . . . . 4675 1 665 . 1 1 90 90 LYS CA C 13 60.77 0.1 . 1 . . . . . . . . 4675 1 666 . 1 1 90 90 LYS HA H 1 3.348 0.01 . 1 . . . . . . . . 4675 1 667 . 1 1 90 90 LYS C C 13 179.77 0.1 . 1 . . . . . . . . 4675 1 668 . 1 1 90 90 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 4675 1 669 . 1 1 90 90 LYS HB3 H 1 1.149 0.01 . 2 . . . . . . . . 4675 1 670 . 1 1 90 90 LYS HB2 H 1 1.204 0.01 . 2 . . . . . . . . 4675 1 671 . 1 1 91 91 ASN N N 15 119.04 0.1 . 1 . . . . . . . . 4675 1 672 . 1 1 91 91 ASN H H 1 7.781 0.01 . 1 . . . . . . . . 4675 1 673 . 1 1 91 91 ASN CA C 13 56.22 0.1 . 1 . . . . . . . . 4675 1 674 . 1 1 91 91 ASN HA H 1 4.341 0.01 . 1 . . . . . . . . 4675 1 675 . 1 1 91 91 ASN C C 13 177.85 0.1 . 1 . . . . . . . . 4675 1 676 . 1 1 91 91 ASN CB C 13 38.06 0.1 . 1 . . . . . . . . 4675 1 677 . 1 1 91 91 ASN HB3 H 1 2.812 0.01 . 2 . . . . . . . . 4675 1 678 . 1 1 91 91 ASN HB2 H 1 2.786 0.01 . 2 . . . . . . . . 4675 1 679 . 1 1 91 91 ASN ND2 N 15 113.44 0.1 . 1 . . . . . . . . 4675 1 680 . 1 1 91 91 ASN HD21 H 1 6.903 0.01 . 1 . . . . . . . . 4675 1 681 . 1 1 91 91 ASN HD22 H 1 7.617 0.01 . 1 . . . . . . . . 4675 1 682 . 1 1 92 92 SER N N 15 117.47 0.1 . 1 . . . . . . . . 4675 1 683 . 1 1 92 92 SER H H 1 8.097 0.01 . 1 . . . . . . . . 4675 1 684 . 1 1 92 92 SER CA C 13 62.58 0.1 . 1 . . . . . . . . 4675 1 685 . 1 1 92 92 SER HA H 1 4.217 0.01 . 1 . . . . . . . . 4675 1 686 . 1 1 92 92 SER C C 13 177.63 0.1 . 1 . . . . . . . . 4675 1 687 . 1 1 92 92 SER CB C 13 62.56 0.1 . 1 . . . . . . . . 4675 1 688 . 1 1 92 92 SER HB3 H 1 3.782 0.01 . 1 . . . . . . . . 4675 1 689 . 1 1 92 92 SER HB2 H 1 3.327 0.01 . 1 . . . . . . . . 4675 1 690 . 1 1 93 93 ILE N N 15 124.57 0.1 . 1 . . . . . . . . 4675 1 691 . 1 1 93 93 ILE H H 1 8.179 0.01 . 1 . . . . . . . . 4675 1 692 . 1 1 93 93 ILE CA C 13 64.83 0.1 . 1 . . . . . . . . 4675 1 693 . 1 1 93 93 ILE HA H 1 3.469 0.01 . 1 . . . . . . . . 4675 1 694 . 1 1 93 93 ILE C C 13 176.51 0.1 . 1 . . . . . . . . 4675 1 695 . 1 1 93 93 ILE CB C 13 36.84 0.1 . 1 . . . . . . . . 4675 1 696 . 1 1 93 93 ILE HB H 1 2.258 0.01 . 1 . . . . . . . . 4675 1 697 . 1 1 93 93 ILE CG1 C 13 29.10 0.1 . 1 . . . . . . . . 4675 1 698 . 1 1 93 93 ILE HG13 H 1 1.311 0.01 . 2 . . . . . . . . 4675 1 699 . 1 1 93 93 ILE HG12 H 1 1.796 0.01 . 2 . . . . . . . . 4675 1 700 . 1 1 93 93 ILE CG2 C 13 16.88 0.1 . 1 . . . . . . . . 4675 1 701 . 1 1 93 93 ILE CD1 C 13 13.19 0.1 . 1 . . . . . . . . 4675 1 702 . 1 1 94 94 ARG N N 15 118.75 0.1 . 1 . . . . . . . . 4675 1 703 . 1 1 94 94 ARG H H 1 7.753 0.01 . 1 . . . . . . . . 4675 1 704 . 1 1 94 94 ARG CA C 13 60.31 0.1 . 1 . . . . . . . . 4675 1 705 . 1 1 94 94 ARG HA H 1 3.629 0.01 . 1 . . . . . . . . 4675 1 706 . 1 1 94 94 ARG C C 13 178.86 0.1 . 1 . . . . . . . . 4675 1 707 . 1 1 94 94 ARG CB C 13 29.92 0.1 . 1 . . . . . . . . 4675 1 708 . 1 1 94 94 ARG CG C 13 28.00 0.1 . 1 . . . . . . . . 4675 1 709 . 1 1 94 94 ARG HG3 H 1 1.823 0.01 . 2 . . . . . . . . 4675 1 710 . 1 1 94 94 ARG HG2 H 1 1.535 0.01 . 2 . . . . . . . . 4675 1 711 . 1 1 94 94 ARG CD C 13 43.35 0.1 . 1 . . . . . . . . 4675 1 712 . 1 1 95 95 HIS N N 15 117.52 0.1 . 1 . . . . . . . . 4675 1 713 . 1 1 95 95 HIS H H 1 8.361 0.01 . 1 . . . . . . . . 4675 1 714 . 1 1 95 95 HIS CA C 13 59.17 0.1 . 1 . . . . . . . . 4675 1 715 . 1 1 95 95 HIS HA H 1 4.341 0.01 . 1 . . . . . . . . 4675 1 716 . 1 1 95 95 HIS C C 13 177.69 0.1 . 1 . . . . . . . . 4675 1 717 . 1 1 95 95 HIS CB C 13 30.42 0.1 . 1 . . . . . . . . 4675 1 718 . 1 1 95 95 HIS CD2 C 13 119.52 0.1 . 1 . . . . . . . . 4675 1 719 . 1 1 95 95 HIS HD2 H 1 6.946 0.01 . 1 . . . . . . . . 4675 1 720 . 1 1 96 96 ASN N N 15 117.50 0.1 . 1 . . . . . . . . 4675 1 721 . 1 1 96 96 ASN H H 1 7.930 0.01 . 1 . . . . . . . . 4675 1 722 . 1 1 96 96 ASN CA C 13 57.70 0.1 . 1 . . . . . . . . 4675 1 723 . 1 1 96 96 ASN HA H 1 4.253 0.01 . 1 . . . . . . . . 4675 1 724 . 1 1 96 96 ASN C C 13 176.99 0.1 . 1 . . . . . . . . 4675 1 725 . 1 1 96 96 ASN CB C 13 40.74 0.1 . 1 . . . . . . . . 4675 1 726 . 1 1 96 96 ASN HB3 H 1 2.243 0.01 . 1 . . . . . . . . 4675 1 727 . 1 1 96 96 ASN HB2 H 1 2.719 0.01 . 1 . . . . . . . . 4675 1 728 . 1 1 96 96 ASN ND2 N 15 112.92 0.1 . 1 . . . . . . . . 4675 1 729 . 1 1 96 96 ASN HD21 H 1 7.590 0.01 . 1 . . . . . . . . 4675 1 730 . 1 1 96 96 ASN HD22 H 1 7.525 0.01 . 1 . . . . . . . . 4675 1 731 . 1 1 97 97 LEU N N 15 119.65 0.1 . 1 . . . . . . . . 4675 1 732 . 1 1 97 97 LEU H H 1 7.803 0.01 . 1 . . . . . . . . 4675 1 733 . 1 1 97 97 LEU CA C 13 57.57 0.1 . 1 . . . . . . . . 4675 1 734 . 1 1 97 97 LEU HA H 1 3.704 0.01 . 1 . . . . . . . . 4675 1 735 . 1 1 97 97 LEU C C 13 176.92 0.1 . 1 . . . . . . . . 4675 1 736 . 1 1 97 97 LEU CB C 13 40.60 0.1 . 1 . . . . . . . . 4675 1 737 . 1 1 97 97 LEU HB3 H 1 -0.131 0.01 . 1 . . . . . . . . 4675 1 738 . 1 1 97 97 LEU HB2 H 1 1.033 0.01 . 1 . . . . . . . . 4675 1 739 . 1 1 97 97 LEU CG C 13 25.73 0.1 . 1 . . . . . . . . 4675 1 740 . 1 1 97 97 LEU HG H 1 0.871 0.01 . 1 . . . . . . . . 4675 1 741 . 1 1 97 97 LEU CD1 C 13 25.32 0.1 . 1 . . . . . . . . 4675 1 742 . 1 1 97 97 LEU CD2 C 13 21.72 0.1 . 1 . . . . . . . . 4675 1 743 . 1 1 98 98 SER N N 15 109.57 0.1 . 1 . . . . . . . . 4675 1 744 . 1 1 98 98 SER H H 1 7.126 0.01 . 1 . . . . . . . . 4675 1 745 . 1 1 98 98 SER CA C 13 60.13 0.1 . 1 . . . . . . . . 4675 1 746 . 1 1 98 98 SER HA H 1 4.418 0.01 . 1 . . . . . . . . 4675 1 747 . 1 1 98 98 SER C C 13 175.01 0.1 . 1 . . . . . . . . 4675 1 748 . 1 1 98 98 SER CB C 13 63.99 0.1 . 1 . . . . . . . . 4675 1 749 . 1 1 98 98 SER HB3 H 1 3.989 0.01 . 2 . . . . . . . . 4675 1 750 . 1 1 98 98 SER HB2 H 1 4.017 0.01 . 2 . . . . . . . . 4675 1 751 . 1 1 99 99 LEU N N 15 121.02 0.1 . 1 . . . . . . . . 4675 1 752 . 1 1 99 99 LEU H H 1 7.430 0.01 . 1 . . . . . . . . 4675 1 753 . 1 1 99 99 LEU CA C 13 55.63 0.1 . 1 . . . . . . . . 4675 1 754 . 1 1 99 99 LEU HA H 1 4.288 0.01 . 1 . . . . . . . . 4675 1 755 . 1 1 99 99 LEU CB C 13 43.24 0.1 . 1 . . . . . . . . 4675 1 756 . 1 1 99 99 LEU HB3 H 1 1.313 0.01 . 1 . . . . . . . . 4675 1 757 . 1 1 99 99 LEU HB2 H 1 1.558 0.01 . 1 . . . . . . . . 4675 1 758 . 1 1 99 99 LEU CG C 13 26.53 0.1 . 1 . . . . . . . . 4675 1 759 . 1 1 99 99 LEU HG H 1 1.412 0.01 . 1 . . . . . . . . 4675 1 760 . 1 1 99 99 LEU CD1 C 13 24.53 0.1 . 1 . . . . . . . . 4675 1 761 . 1 1 99 99 LEU CD2 C 13 23.78 0.1 . 1 . . . . . . . . 4675 1 762 . 1 1 100 100 HIS CA C 13 56.94 0.1 . 1 . . . . . . . . 4675 1 763 . 1 1 100 100 HIS HA H 1 4.767 0.01 . 1 . . . . . . . . 4675 1 764 . 1 1 100 100 HIS CB C 13 30.69 0.1 . 1 . . . . . . . . 4675 1 765 . 1 1 100 100 HIS HB3 H 1 3.226 0.01 . 1 . . . . . . . . 4675 1 766 . 1 1 100 100 HIS HB2 H 1 3.299 0.01 . 1 . . . . . . . . 4675 1 767 . 1 1 101 101 SER CA C 13 59.82 0.1 . 1 . . . . . . . . 4675 1 768 . 1 1 101 101 SER C C 13 174.55 0.1 . 1 . . . . . . . . 4675 1 769 . 1 1 101 101 SER CB C 13 62.95 0.1 . 1 . . . . . . . . 4675 1 770 . 1 1 102 102 LYS N N 15 119.22 0.1 . 1 . . . . . . . . 4675 1 771 . 1 1 102 102 LYS H H 1 7.770 0.01 . 1 . . . . . . . . 4675 1 772 . 1 1 102 102 LYS CA C 13 57.51 0.1 . 1 . . . . . . . . 4675 1 773 . 1 1 102 102 LYS HA H 1 4.112 0.01 . 1 . . . . . . . . 4675 1 774 . 1 1 102 102 LYS C C 13 175.54 0.1 . 1 . . . . . . . . 4675 1 775 . 1 1 102 102 LYS CB C 13 32.85 0.1 . 1 . . . . . . . . 4675 1 776 . 1 1 102 102 LYS HB3 H 1 1.008 0.01 . 2 . . . . . . . . 4675 1 777 . 1 1 102 102 LYS HB2 H 1 1.424 0.01 . 2 . . . . . . . . 4675 1 778 . 1 1 102 102 LYS CG C 13 24.22 0.1 . 1 . . . . . . . . 4675 1 779 . 1 1 102 102 LYS HG3 H 1 0.670 0.01 . 2 . . . . . . . . 4675 1 780 . 1 1 102 102 LYS HG2 H 1 0.855 0.01 . 2 . . . . . . . . 4675 1 781 . 1 1 102 102 LYS CD C 13 28.94 0.1 . 1 . . . . . . . . 4675 1 782 . 1 1 102 102 LYS HD3 H 1 1.345 0.01 . 2 . . . . . . . . 4675 1 783 . 1 1 102 102 LYS HD2 H 1 1.312 0.01 . 2 . . . . . . . . 4675 1 784 . 1 1 102 102 LYS CE C 13 41.55 0.1 . 1 . . . . . . . . 4675 1 785 . 1 1 103 103 PHE N N 15 118.69 0.1 . 1 . . . . . . . . 4675 1 786 . 1 1 103 103 PHE H H 1 7.971 0.01 . 1 . . . . . . . . 4675 1 787 . 1 1 103 103 PHE CA C 13 55.89 0.1 . 1 . . . . . . . . 4675 1 788 . 1 1 103 103 PHE HA H 1 5.649 0.01 . 1 . . . . . . . . 4675 1 789 . 1 1 103 103 PHE C C 13 174.76 0.1 . 1 . . . . . . . . 4675 1 790 . 1 1 103 103 PHE CB C 13 41.56 0.1 . 1 . . . . . . . . 4675 1 791 . 1 1 103 103 PHE CZ C 13 129.23 0.1 . 1 . . . . . . . . 4675 1 792 . 1 1 103 103 PHE HZ H 1 7.453 0.01 . 1 . . . . . . . . 4675 1 793 . 1 1 104 104 ILE N N 15 119.07 0.1 . 1 . . . . . . . . 4675 1 794 . 1 1 104 104 ILE H H 1 9.284 0.01 . 1 . . . . . . . . 4675 1 795 . 1 1 104 104 ILE CA C 13 59.52 0.1 . 1 . . . . . . . . 4675 1 796 . 1 1 104 104 ILE HA H 1 4.729 0.01 . 1 . . . . . . . . 4675 1 797 . 1 1 104 104 ILE C C 13 172.75 0.1 . 1 . . . . . . . . 4675 1 798 . 1 1 104 104 ILE CB C 13 42.20 0.1 . 1 . . . . . . . . 4675 1 799 . 1 1 104 104 ILE HB H 1 1.680 0.01 . 1 . . . . . . . . 4675 1 800 . 1 1 104 104 ILE CG1 C 13 27.27 0.1 . 1 . . . . . . . . 4675 1 801 . 1 1 104 104 ILE HG13 H 1 0.919 0.01 . 2 . . . . . . . . 4675 1 802 . 1 1 104 104 ILE HG12 H 1 1.433 0.01 . 2 . . . . . . . . 4675 1 803 . 1 1 104 104 ILE CG2 C 13 17.70 0.1 . 1 . . . . . . . . 4675 1 804 . 1 1 104 104 ILE CD1 C 13 13.92 0.1 . 1 . . . . . . . . 4675 1 805 . 1 1 105 105 LYS N N 15 125.52 0.1 . 1 . . . . . . . . 4675 1 806 . 1 1 105 105 LYS H H 1 8.013 0.01 . 1 . . . . . . . . 4675 1 807 . 1 1 105 105 LYS CA C 13 54.58 0.1 . 1 . . . . . . . . 4675 1 808 . 1 1 105 105 LYS HA H 1 4.235 0.01 . 1 . . . . . . . . 4675 1 809 . 1 1 105 105 LYS C C 13 176.52 0.1 . 1 . . . . . . . . 4675 1 810 . 1 1 105 105 LYS CB C 13 32.90 0.1 . 1 . . . . . . . . 4675 1 811 . 1 1 105 105 LYS HB3 H 1 0.953 0.01 . 1 . . . . . . . . 4675 1 812 . 1 1 105 105 LYS HB2 H 1 0.471 0.01 . 1 . . . . . . . . 4675 1 813 . 1 1 105 105 LYS CG C 13 24.37 0.1 . 1 . . . . . . . . 4675 1 814 . 1 1 105 105 LYS HG3 H 1 0.173 0.01 . 2 . . . . . . . . 4675 1 815 . 1 1 105 105 LYS HG2 H 1 0.398 0.01 . 2 . . . . . . . . 4675 1 816 . 1 1 105 105 LYS CD C 13 29.18 0.1 . 1 . . . . . . . . 4675 1 817 . 1 1 105 105 LYS HD3 H 1 1.279 0.01 . 2 . . . . . . . . 4675 1 818 . 1 1 105 105 LYS HD2 H 1 1.315 0.01 . 2 . . . . . . . . 4675 1 819 . 1 1 105 105 LYS CE C 13 41.62 0.1 . 1 . . . . . . . . 4675 1 820 . 1 1 106 106 VAL N N 15 126.41 0.1 . 1 . . . . . . . . 4675 1 821 . 1 1 106 106 VAL H H 1 8.978 0.01 . 1 . . . . . . . . 4675 1 822 . 1 1 106 106 VAL CA C 13 61.14 0.1 . 1 . . . . . . . . 4675 1 823 . 1 1 106 106 VAL HA H 1 4.143 0.01 . 1 . . . . . . . . 4675 1 824 . 1 1 106 106 VAL C C 13 174.76 0.1 . 1 . . . . . . . . 4675 1 825 . 1 1 106 106 VAL CB C 13 34.73 0.1 . 1 . . . . . . . . 4675 1 826 . 1 1 106 106 VAL HB H 1 1.859 0.01 . 1 . . . . . . . . 4675 1 827 . 1 1 106 106 VAL CG1 C 13 21.09 0.1 . 1 . . . . . . . . 4675 1 828 . 1 1 106 106 VAL CG2 C 13 21.00 0.1 . 1 . . . . . . . . 4675 1 829 . 1 1 107 107 HIS N N 15 124.05 0.1 . 1 . . . . . . . . 4675 1 830 . 1 1 107 107 HIS H H 1 8.473 0.01 . 1 . . . . . . . . 4675 1 831 . 1 1 107 107 HIS CA C 13 56.36 0.1 . 1 . . . . . . . . 4675 1 832 . 1 1 107 107 HIS HA H 1 4.465 0.01 . 1 . . . . . . . . 4675 1 833 . 1 1 107 107 HIS C C 13 174.12 0.1 . 1 . . . . . . . . 4675 1 834 . 1 1 107 107 HIS CB C 13 30.55 0.1 . 1 . . . . . . . . 4675 1 835 . 1 1 107 107 HIS HB3 H 1 3.023 0.01 . 2 . . . . . . . . 4675 1 836 . 1 1 107 107 HIS HB2 H 1 2.978 0.01 . 2 . . . . . . . . 4675 1 837 . 1 1 107 107 HIS HD2 H 1 6.961 0.01 . 1 . . . . . . . . 4675 1 838 . 1 1 107 107 HIS HE1 H 1 7.254 0.01 . 1 . . . . . . . . 4675 1 839 . 1 1 108 108 ASN N N 15 122.95 0.1 . 1 . . . . . . . . 4675 1 840 . 1 1 108 108 ASN H H 1 8.356 0.01 . 1 . . . . . . . . 4675 1 841 . 1 1 108 108 ASN CA C 13 52.60 0.1 . 1 . . . . . . . . 4675 1 842 . 1 1 108 108 ASN HA H 1 4.501 0.01 . 1 . . . . . . . . 4675 1 843 . 1 1 108 108 ASN C C 13 175.13 0.1 . 1 . . . . . . . . 4675 1 844 . 1 1 108 108 ASN CB C 13 38.97 0.1 . 1 . . . . . . . . 4675 1 845 . 1 1 108 108 ASN HB3 H 1 2.597 0.01 . 1 . . . . . . . . 4675 1 846 . 1 1 108 108 ASN HB2 H 1 2.126 0.02 . 1 . . . . . . . . 4675 1 847 . 1 1 108 108 ASN ND2 N 15 112.02 0.1 . 1 . . . . . . . . 4675 1 848 . 1 1 108 108 ASN HD21 H 1 6.472 0.01 . 1 . . . . . . . . 4675 1 849 . 1 1 108 108 ASN HD22 H 1 6.940 0.01 . 1 . . . . . . . . 4675 1 850 . 1 1 109 109 GLU N N 15 123.55 0.1 . 1 . . . . . . . . 4675 1 851 . 1 1 109 109 GLU H H 1 8.705 0.01 . 1 . . . . . . . . 4675 1 852 . 1 1 109 109 GLU CA C 13 57.98 0.1 . 1 . . . . . . . . 4675 1 853 . 1 1 109 109 GLU HA H 1 4.061 0.01 . 1 . . . . . . . . 4675 1 854 . 1 1 109 109 GLU C C 13 176.93 0.1 . 1 . . . . . . . . 4675 1 855 . 1 1 109 109 GLU CB C 13 29.70 0.1 . 1 . . . . . . . . 4675 1 856 . 1 1 109 109 GLU HB3 H 1 2.102 0.01 . 1 . . . . . . . . 4675 1 857 . 1 1 109 109 GLU HB2 H 1 1.992 0.01 . 1 . . . . . . . . 4675 1 858 . 1 1 109 109 GLU CG C 13 36.39 0.1 . 1 . . . . . . . . 4675 1 859 . 1 1 110 110 ALA N N 15 122.37 0.1 . 1 . . . . . . . . 4675 1 860 . 1 1 110 110 ALA H H 1 8.270 0.01 . 1 . . . . . . . . 4675 1 861 . 1 1 110 110 ALA CA C 13 52.96 0.1 . 1 . . . . . . . . 4675 1 862 . 1 1 110 110 ALA HA H 1 4.318 0.01 . 1 . . . . . . . . 4675 1 863 . 1 1 110 110 ALA C C 13 178.14 0.1 . 1 . . . . . . . . 4675 1 864 . 1 1 110 110 ALA CB C 13 19.02 0.1 . 1 . . . . . . . . 4675 1 865 . 1 1 111 111 THR N N 15 111.73 0.1 . 1 . . . . . . . . 4675 1 866 . 1 1 111 111 THR H H 1 7.806 0.01 . 1 . . . . . . . . 4675 1 867 . 1 1 111 111 THR CA C 13 62.42 0.1 . 1 . . . . . . . . 4675 1 868 . 1 1 111 111 THR HA H 1 4.195 0.01 . 1 . . . . . . . . 4675 1 869 . 1 1 111 111 THR C C 13 175.71 0.1 . 1 . . . . . . . . 4675 1 870 . 1 1 111 111 THR CB C 13 69.52 0.1 . 1 . . . . . . . . 4675 1 871 . 1 1 111 111 THR HB H 1 4.171 0.01 . 1 . . . . . . . . 4675 1 872 . 1 1 111 111 THR CG2 C 13 21.41 0.1 . 1 . . . . . . . . 4675 1 873 . 1 1 112 112 GLY N N 15 111.89 0.1 . 1 . . . . . . . . 4675 1 874 . 1 1 112 112 GLY H H 1 8.334 0.01 . 1 . . . . . . . . 4675 1 875 . 1 1 112 112 GLY CA C 13 45.75 0.1 . 1 . . . . . . . . 4675 1 876 . 1 1 112 112 GLY HA3 H 1 4.070 0.01 . 2 . . . . . . . . 4675 1 877 . 1 1 112 112 GLY HA2 H 1 3.788 0.01 . 2 . . . . . . . . 4675 1 878 . 1 1 112 112 GLY C C 13 174.37 0.1 . 1 . . . . . . . . 4675 1 879 . 1 1 113 113 LYS N N 15 119.50 0.1 . 1 . . . . . . . . 4675 1 880 . 1 1 113 113 LYS H H 1 7.866 0.01 . 1 . . . . . . . . 4675 1 881 . 1 1 113 113 LYS CA C 13 55.66 0.1 . 1 . . . . . . . . 4675 1 882 . 1 1 113 113 LYS HA H 1 4.402 0.01 . 1 . . . . . . . . 4675 1 883 . 1 1 113 113 LYS C C 13 176.60 0.1 . 1 . . . . . . . . 4675 1 884 . 1 1 113 113 LYS CB C 13 33.32 0.1 . 1 . . . . . . . . 4675 1 885 . 1 1 113 113 LYS HB3 H 1 1.641 0.01 . 2 . . . . . . . . 4675 1 886 . 1 1 113 113 LYS HB2 H 1 1.781 0.01 . 2 . . . . . . . . 4675 1 887 . 1 1 113 113 LYS CG C 13 25.07 0.1 . 1 . . . . . . . . 4675 1 888 . 1 1 113 113 LYS HG3 H 1 1.362 0.01 . 2 . . . . . . . . 4675 1 889 . 1 1 113 113 LYS HG2 H 1 1.272 0.01 . 2 . . . . . . . . 4675 1 890 . 1 1 113 113 LYS CD C 13 28.63 0.1 . 1 . . . . . . . . 4675 1 891 . 1 1 113 113 LYS CE C 13 42.08 0.1 . 1 . . . . . . . . 4675 1 892 . 1 1 114 114 SER N N 15 116.08 0.1 . 1 . . . . . . . . 4675 1 893 . 1 1 114 114 SER H H 1 8.070 0.01 . 1 . . . . . . . . 4675 1 894 . 1 1 114 114 SER CA C 13 58.42 0.1 . 1 . . . . . . . . 4675 1 895 . 1 1 114 114 SER HA H 1 4.425 0.01 . 1 . . . . . . . . 4675 1 896 . 1 1 114 114 SER C C 13 173.34 0.1 . 1 . . . . . . . . 4675 1 897 . 1 1 114 114 SER CB C 13 63.93 0.1 . 1 . . . . . . . . 4675 1 898 . 1 1 114 114 SER HB3 H 1 3.659 0.01 . 2 . . . . . . . . 4675 1 899 . 1 1 114 114 SER HB2 H 1 3.743 0.01 . 2 . . . . . . . . 4675 1 900 . 1 1 115 115 SER N N 15 116.90 0.1 . 1 . . . . . . . . 4675 1 901 . 1 1 115 115 SER H H 1 8.145 0.01 . 1 . . . . . . . . 4675 1 902 . 1 1 115 115 SER CA C 13 58.89 0.1 . 1 . . . . . . . . 4675 1 903 . 1 1 115 115 SER HA H 1 4.285 0.01 . 1 . . . . . . . . 4675 1 904 . 1 1 115 115 SER C C 13 173.16 0.1 . 1 . . . . . . . . 4675 1 905 . 1 1 115 115 SER CB C 13 64.02 0.1 . 1 . . . . . . . . 4675 1 906 . 1 1 115 115 SER HB3 H 1 3.431 0.01 . 1 . . . . . . . . 4675 1 907 . 1 1 115 115 SER HB2 H 1 3.341 0.01 . 1 . . . . . . . . 4675 1 908 . 1 1 116 116 TRP N N 15 120.49 0.1 . 1 . . . . . . . . 4675 1 909 . 1 1 116 116 TRP H H 1 8.346 0.01 . 1 . . . . . . . . 4675 1 910 . 1 1 116 116 TRP CA C 13 56.38 0.1 . 1 . . . . . . . . 4675 1 911 . 1 1 116 116 TRP HA H 1 4.661 0.01 . 1 . . . . . . . . 4675 1 912 . 1 1 116 116 TRP C C 13 174.43 0.1 . 1 . . . . . . . . 4675 1 913 . 1 1 116 116 TRP CB C 13 32.54 0.1 . 1 . . . . . . . . 4675 1 914 . 1 1 116 116 TRP HB3 H 1 2.864 0.01 . 1 . . . . . . . . 4675 1 915 . 1 1 116 116 TRP HB2 H 1 2.952 0.01 . 1 . . . . . . . . 4675 1 916 . 1 1 116 116 TRP CD1 C 13 126.60 0.1 . 1 . . . . . . . . 4675 1 917 . 1 1 116 116 TRP HD1 H 1 6.931 0.01 . 1 . . . . . . . . 4675 1 918 . 1 1 116 116 TRP NE1 N 15 129.92 0.1 . 1 . . . . . . . . 4675 1 919 . 1 1 116 116 TRP HE1 H 1 10.234 0.1 . 1 . . . . . . . . 4675 1 920 . 1 1 116 116 TRP CE3 C 13 119.97 0.1 . 1 . . . . . . . . 4675 1 921 . 1 1 116 116 TRP HE3 H 1 7.211 0.01 . 1 . . . . . . . . 4675 1 922 . 1 1 116 116 TRP CZ2 C 13 114.84 0.1 . 1 . . . . . . . . 4675 1 923 . 1 1 116 116 TRP HZ2 H 1 7.433 0.01 . 1 . . . . . . . . 4675 1 924 . 1 1 116 116 TRP CZ3 C 13 122.58 0.1 . 1 . . . . . . . . 4675 1 925 . 1 1 116 116 TRP HZ3 H 1 7.261 0.01 . 1 . . . . . . . . 4675 1 926 . 1 1 116 116 TRP CH2 C 13 124.74 0.1 . 1 . . . . . . . . 4675 1 927 . 1 1 116 116 TRP HH2 H 1 7.223 0.01 . 1 . . . . . . . . 4675 1 928 . 1 1 117 117 TRP N N 15 121.76 0.1 . 1 . . . . . . . . 4675 1 929 . 1 1 117 117 TRP H H 1 9.173 0.01 . 1 . . . . . . . . 4675 1 930 . 1 1 117 117 TRP CA C 13 56.86 0.1 . 1 . . . . . . . . 4675 1 931 . 1 1 117 117 TRP HA H 1 5.312 0.01 . 1 . . . . . . . . 4675 1 932 . 1 1 117 117 TRP C C 13 175.35 0.1 . 1 . . . . . . . . 4675 1 933 . 1 1 117 117 TRP CB C 13 31.01 0.1 . 1 . . . . . . . . 4675 1 934 . 1 1 117 117 TRP HB3 H 1 2.846 0.01 . 1 . . . . . . . . 4675 1 935 . 1 1 117 117 TRP HB2 H 1 2.961 0.01 . 1 . . . . . . . . 4675 1 936 . 1 1 117 117 TRP CD1 C 13 125.48 0.1 . 1 . . . . . . . . 4675 1 937 . 1 1 117 117 TRP HD1 H 1 6.874 0.01 . 1 . . . . . . . . 4675 1 938 . 1 1 117 117 TRP NE1 N 15 126.85 0.1 . 1 . . . . . . . . 4675 1 939 . 1 1 117 117 TRP HE1 H 1 9.758 0.01 . 1 . . . . . . . . 4675 1 940 . 1 1 117 117 TRP CE3 C 13 120.62 0.1 . 1 . . . . . . . . 4675 1 941 . 1 1 117 117 TRP HE3 H 1 7.317 0.01 . 1 . . . . . . . . 4675 1 942 . 1 1 117 117 TRP CZ2 C 13 114.04 0.1 . 1 . . . . . . . . 4675 1 943 . 1 1 117 117 TRP HZ2 H 1 7.324 0.01 . 1 . . . . . . . . 4675 1 944 . 1 1 117 117 TRP CZ3 C 13 122.61 0.1 . 1 . . . . . . . . 4675 1 945 . 1 1 117 117 TRP HZ3 H 1 6.961 0.01 . 1 . . . . . . . . 4675 1 946 . 1 1 117 117 TRP CH2 C 13 124.21 0.1 . 1 . . . . . . . . 4675 1 947 . 1 1 117 117 TRP HH2 H 1 7.016 0.01 . 1 . . . . . . . . 4675 1 948 . 1 1 118 118 MET N N 15 117.74 0.1 . 1 . . . . . . . . 4675 1 949 . 1 1 118 118 MET H H 1 9.195 0.01 . 1 . . . . . . . . 4675 1 950 . 1 1 118 118 MET CA C 13 54.30 0.1 . 1 . . . . . . . . 4675 1 951 . 1 1 118 118 MET HA H 1 5.057 0.01 . 1 . . . . . . . . 4675 1 952 . 1 1 118 118 MET C C 13 174.84 0.1 . 1 . . . . . . . . 4675 1 953 . 1 1 118 118 MET CB C 13 38.08 0.1 . 1 . . . . . . . . 4675 1 954 . 1 1 118 118 MET HB3 H 1 2.323 0.01 . 1 . . . . . . . . 4675 1 955 . 1 1 118 118 MET HB2 H 1 2.013 0.01 . 1 . . . . . . . . 4675 1 956 . 1 1 118 118 MET CG C 13 31.93 0.1 . 1 . . . . . . . . 4675 1 957 . 1 1 118 118 MET HG3 H 1 2.758 0.01 . 2 . . . . . . . . 4675 1 958 . 1 1 118 118 MET HG2 H 1 2.274 0.01 . 2 . . . . . . . . 4675 1 959 . 1 1 119 119 LEU N N 15 120.72 0.1 . 1 . . . . . . . . 4675 1 960 . 1 1 119 119 LEU H H 1 9.167 0.01 . 1 . . . . . . . . 4675 1 961 . 1 1 119 119 LEU CA C 13 54.83 0.1 . 1 . . . . . . . . 4675 1 962 . 1 1 119 119 LEU HA H 1 4.909 0.01 . 1 . . . . . . . . 4675 1 963 . 1 1 119 119 LEU C C 13 177.49 0.1 . 1 . . . . . . . . 4675 1 964 . 1 1 119 119 LEU CB C 13 41.97 0.1 . 1 . . . . . . . . 4675 1 965 . 1 1 119 119 LEU HB3 H 1 1.443 0.01 . 1 . . . . . . . . 4675 1 966 . 1 1 119 119 LEU HB2 H 1 1.702 0.01 . 1 . . . . . . . . 4675 1 967 . 1 1 119 119 LEU CG C 13 27.98 0.1 . 1 . . . . . . . . 4675 1 968 . 1 1 119 119 LEU HG H 1 1.776 0.01 . 1 . . . . . . . . 4675 1 969 . 1 1 119 119 LEU CD1 C 13 25.50 0.1 . 1 . . . . . . . . 4675 1 970 . 1 1 119 119 LEU CD2 C 13 24.41 0.1 . 1 . . . . . . . . 4675 1 971 . 1 1 120 120 ASN N N 15 121.54 0.1 . 1 . . . . . . . . 4675 1 972 . 1 1 120 120 ASN H H 1 8.580 0.01 . 1 . . . . . . . . 4675 1 973 . 1 1 120 120 ASN CA C 13 50.63 0.1 . 1 . . . . . . . . 4675 1 974 . 1 1 120 120 ASN HA H 1 4.668 0.01 . 1 . . . . . . . . 4675 1 975 . 1 1 120 120 ASN CB C 13 39.19 0.1 . 1 . . . . . . . . 4675 1 976 . 1 1 120 120 ASN HB3 H 1 2.398 0.01 . 2 . . . . . . . . 4675 1 977 . 1 1 120 120 ASN HB2 H 1 2.950 0.01 . 2 . . . . . . . . 4675 1 978 . 1 1 120 120 ASN ND2 N 15 112.02 0.1 . 1 . . . . . . . . 4675 1 979 . 1 1 120 120 ASN HD21 H 1 7.040 0.01 . 1 . . . . . . . . 4675 1 980 . 1 1 120 120 ASN HD22 H 1 7.645 0.01 . 1 . . . . . . . . 4675 1 981 . 1 1 121 121 PRO CA C 13 64.03 0.1 . 1 . . . . . . . . 4675 1 982 . 1 1 121 121 PRO HA H 1 4.403 0.01 . 1 . . . . . . . . 4675 1 983 . 1 1 121 121 PRO C C 13 177.31 0.1 . 1 . . . . . . . . 4675 1 984 . 1 1 121 121 PRO CB C 13 32.24 0.1 . 1 . . . . . . . . 4675 1 985 . 1 1 121 121 PRO HB3 H 1 2.000 0.01 . 2 . . . . . . . . 4675 1 986 . 1 1 121 121 PRO HB2 H 1 2.285 0.01 . 2 . . . . . . . . 4675 1 987 . 1 1 121 121 PRO CG C 13 27.14 0.1 . 1 . . . . . . . . 4675 1 988 . 1 1 121 121 PRO CD C 13 51.23 0.1 . 1 . . . . . . . . 4675 1 989 . 1 1 121 121 PRO HD3 H 1 3.913 0.01 . 2 . . . . . . . . 4675 1 990 . 1 1 121 121 PRO HD2 H 1 4.031 0.01 . 2 . . . . . . . . 4675 1 991 . 1 1 122 122 GLU N N 15 118.95 0.1 . 1 . . . . . . . . 4675 1 992 . 1 1 122 122 GLU H H 1 8.002 0.01 . 1 . . . . . . . . 4675 1 993 . 1 1 122 122 GLU CA C 13 56.59 0.1 . 1 . . . . . . . . 4675 1 994 . 1 1 122 122 GLU HA H 1 4.238 0.01 . 1 . . . . . . . . 4675 1 995 . 1 1 122 122 GLU C C 13 177.18 0.1 . 1 . . . . . . . . 4675 1 996 . 1 1 122 122 GLU CB C 13 29.94 0.1 . 1 . . . . . . . . 4675 1 997 . 1 1 122 122 GLU HB3 H 1 1.875 0.01 . 1 . . . . . . . . 4675 1 998 . 1 1 122 122 GLU HB2 H 1 2.071 0.01 . 1 . . . . . . . . 4675 1 999 . 1 1 122 122 GLU CG C 13 36.48 0.1 . 1 . . . . . . . . 4675 1 1000 . 1 1 122 122 GLU HG3 H 1 2.259 0.01 . 2 . . . . . . . . 4675 1 1001 . 1 1 122 122 GLU HG2 H 1 2.182 0.01 . 2 . . . . . . . . 4675 1 1002 . 1 1 123 123 GLY N N 15 108.73 0.1 . 1 . . . . . . . . 4675 1 1003 . 1 1 123 123 GLY H H 1 8.084 0.01 . 1 . . . . . . . . 4675 1 1004 . 1 1 123 123 GLY CA C 13 45.75 0.1 . 1 . . . . . . . . 4675 1 1005 . 1 1 123 123 GLY HA3 H 1 3.907 0.01 . 2 . . . . . . . . 4675 1 1006 . 1 1 123 123 GLY HA2 H 1 3.937 0.01 . 2 . . . . . . . . 4675 1 1007 . 1 1 123 123 GLY C C 13 174.78 0.1 . 1 . . . . . . . . 4675 1 1008 . 1 1 124 124 GLY N N 15 108.50 0.1 . 1 . . . . . . . . 4675 1 1009 . 1 1 124 124 GLY H H 1 8.159 0.01 . 1 . . . . . . . . 4675 1 1010 . 1 1 124 124 GLY CA C 13 45.47 0.1 . 1 . . . . . . . . 4675 1 1011 . 1 1 124 124 GLY HA3 H 1 3.914 0.01 . 2 . . . . . . . . 4675 1 1012 . 1 1 124 124 GLY HA2 H 1 3.969 0.01 . 2 . . . . . . . . 4675 1 1013 . 1 1 124 124 GLY C C 13 174.47 0.1 . 1 . . . . . . . . 4675 1 1014 . 1 1 125 125 LYS N N 15 120.56 0.1 . 1 . . . . . . . . 4675 1 1015 . 1 1 125 125 LYS H H 1 8.116 0.01 . 1 . . . . . . . . 4675 1 1016 . 1 1 125 125 LYS CA C 13 56.49 0.1 . 1 . . . . . . . . 4675 1 1017 . 1 1 125 125 LYS HA H 1 4.335 0.01 . 1 . . . . . . . . 4675 1 1018 . 1 1 125 125 LYS C C 13 176.92 0.1 . 1 . . . . . . . . 4675 1 1019 . 1 1 125 125 LYS CB C 13 32.99 0.1 . 1 . . . . . . . . 4675 1 1020 . 1 1 126 126 SER N N 15 116.32 0.1 . 1 . . . . . . . . 4675 1 1021 . 1 1 126 126 SER H H 1 8.300 0.01 . 1 . . . . . . . . 4675 1 1022 . 1 1 126 126 SER CA C 13 58.64 0.1 . 1 . . . . . . . . 4675 1 1023 . 1 1 126 126 SER C C 13 175.11 0.1 . 1 . . . . . . . . 4675 1 1024 . 1 1 126 126 SER CB C 13 63.82 0.1 . 1 . . . . . . . . 4675 1 1025 . 1 1 127 127 GLY N N 15 110.77 0.1 . 1 . . . . . . . . 4675 1 1026 . 1 1 127 127 GLY H H 1 8.331 0.01 . 1 . . . . . . . . 4675 1 1027 . 1 1 127 127 GLY CA C 13 45.42 0.1 . 1 . . . . . . . . 4675 1 1028 . 1 1 128 128 LYS N N 15 120.44 0.1 . 1 . . . . . . . . 4675 1 1029 . 1 1 128 128 LYS H H 1 8.065 0.01 . 1 . . . . . . . . 4675 1 1030 . 1 1 128 128 LYS CA C 13 55.93 0.1 . 1 . . . . . . . . 4675 1 1031 . 1 1 128 128 LYS HA H 1 4.317 0.01 . 1 . . . . . . . . 4675 1 1032 . 1 1 128 128 LYS C C 13 176.04 0.1 . 1 . . . . . . . . 4675 1 1033 . 1 1 128 128 LYS CB C 13 33.22 0.1 . 1 . . . . . . . . 4675 1 1034 . 1 1 129 129 ALA N N 15 126.47 0.1 . 1 . . . . . . . . 4675 1 1035 . 1 1 129 129 ALA H H 1 8.241 0.01 . 1 . . . . . . . . 4675 1 1036 . 1 1 129 129 ALA CA C 13 50.58 0.1 . 1 . . . . . . . . 4675 1 1037 . 1 1 129 129 ALA HA H 1 4.557 0.01 . 1 . . . . . . . . 4675 1 1038 . 1 1 129 129 ALA CB C 13 18.24 0.1 . 1 . . . . . . . . 4675 1 1039 . 1 1 133 133 ARG N N 15 123.16 0.1 . 1 . . . . . . . . 4675 1 1040 . 1 1 133 133 ARG H H 1 8.394 0.01 . 1 . . . . . . . . 4675 1 1041 . 1 1 133 133 ARG CA C 13 56.08 0.1 . 1 . . . . . . . . 4675 1 1042 . 1 1 133 133 ARG HA H 1 4.291 0.01 . 1 . . . . . . . . 4675 1 1043 . 1 1 133 133 ARG C C 13 175.92 0.1 . 1 . . . . . . . . 4675 1 1044 . 1 1 133 133 ARG CB C 13 30.99 0.1 . 1 . . . . . . . . 4675 1 1045 . 1 1 134 134 ALA N N 15 125.93 0.1 . 1 . . . . . . . . 4675 1 1046 . 1 1 134 134 ALA H H 1 8.337 0.01 . 1 . . . . . . . . 4675 1 1047 . 1 1 134 134 ALA CA C 13 52.48 0.1 . 1 . . . . . . . . 4675 1 1048 . 1 1 134 134 ALA HA H 1 4.280 0.01 . 1 . . . . . . . . 4675 1 1049 . 1 1 134 134 ALA C C 13 177.41 0.1 . 1 . . . . . . . . 4675 1 1050 . 1 1 134 134 ALA CB C 13 19.34 0.1 . 1 . . . . . . . . 4675 1 1051 . 1 1 135 135 ALA N N 15 123.56 0.1 . 1 . . . . . . . . 4675 1 1052 . 1 1 135 135 ALA H H 1 8.292 0.01 . 1 . . . . . . . . 4675 1 1053 . 1 1 135 135 ALA CA C 13 52.59 0.1 . 1 . . . . . . . . 4675 1 1054 . 1 1 135 135 ALA HA H 1 4.301 0.01 . 1 . . . . . . . . 4675 1 1055 . 1 1 135 135 ALA C C 13 177.82 0.1 . 1 . . . . . . . . 4675 1 1056 . 1 1 135 135 ALA CB C 13 19.27 0.1 . 1 . . . . . . . . 4675 1 1057 . 1 1 136 136 SER N N 15 114.67 0.1 . 1 . . . . . . . . 4675 1 1058 . 1 1 136 136 SER H H 1 8.205 0.01 . 1 . . . . . . . . 4675 1 1059 . 1 1 136 136 SER CA C 13 58.37 0.1 . 1 . . . . . . . . 4675 1 1060 . 1 1 136 136 SER HA H 1 4.410 0.01 . 1 . . . . . . . . 4675 1 1061 . 1 1 136 136 SER C C 13 174.74 0.1 . 1 . . . . . . . . 4675 1 1062 . 1 1 136 136 SER CB C 13 63.80 0.1 . 1 . . . . . . . . 4675 1 1063 . 1 1 137 137 MET N N 15 122.03 0.1 . 1 . . . . . . . . 4675 1 1064 . 1 1 137 137 MET H H 1 8.343 0.01 . 1 . . . . . . . . 4675 1 1065 . 1 1 137 137 MET CA C 13 55.64 0.1 . 1 . . . . . . . . 4675 1 1066 . 1 1 137 137 MET HA H 1 4.495 0.01 . 1 . . . . . . . . 4675 1 1067 . 1 1 137 137 MET C C 13 175.94 0.1 . 1 . . . . . . . . 4675 1 1068 . 1 1 137 137 MET CB C 13 32.98 0.1 . 1 . . . . . . . . 4675 1 1069 . 1 1 137 137 MET HB3 H 1 2.109 0.01 . 2 . . . . . . . . 4675 1 1070 . 1 1 137 137 MET HB2 H 1 1.997 0.01 . 2 . . . . . . . . 4675 1 1071 . 1 1 137 137 MET CG C 13 32.12 0.1 . 1 . . . . . . . . 4675 1 1072 . 1 1 137 137 MET HG3 H 1 2.515 0.01 . 2 . . . . . . . . 4675 1 1073 . 1 1 137 137 MET HG2 H 1 2.590 0.01 . 2 . . . . . . . . 4675 1 1074 . 1 1 138 138 ASP N N 15 121.46 0.1 . 1 . . . . . . . . 4675 1 1075 . 1 1 138 138 ASP H H 1 8.263 0.01 . 1 . . . . . . . . 4675 1 1076 . 1 1 138 138 ASP CA C 13 54.40 0.1 . 1 . . . . . . . . 4675 1 1077 . 1 1 138 138 ASP HA H 1 4.629 0.01 . 1 . . . . . . . . 4675 1 1078 . 1 1 138 138 ASP C C 13 176.61 0.1 . 1 . . . . . . . . 4675 1 1079 . 1 1 138 138 ASP CB C 13 41.44 0.1 . 1 . . . . . . . . 4675 1 1080 . 1 1 138 138 ASP HB3 H 1 2.713 0.01 . 2 . . . . . . . . 4675 1 1081 . 1 1 138 138 ASP HB2 H 1 2.668 0.01 . 2 . . . . . . . . 4675 1 1082 . 1 1 139 139 SER N N 15 116.88 0.1 . 1 . . . . . . . . 4675 1 1083 . 1 1 139 139 SER H H 1 8.340 0.01 . 1 . . . . . . . . 4675 1 1084 . 1 1 139 139 SER CA C 13 59.04 0.1 . 1 . . . . . . . . 4675 1 1085 . 1 1 139 139 SER HA H 1 4.413 0.01 . 1 . . . . . . . . 4675 1 1086 . 1 1 139 139 SER C C 13 175.21 0.1 . 1 . . . . . . . . 4675 1 1087 . 1 1 139 139 SER CB C 13 63.66 0.1 . 1 . . . . . . . . 4675 1 1088 . 1 1 140 140 SER N N 15 117.75 0.1 . 1 . . . . . . . . 4675 1 1089 . 1 1 140 140 SER H H 1 8.381 0.01 . 1 . . . . . . . . 4675 1 1090 . 1 1 140 140 SER CA C 13 59.39 0.1 . 1 . . . . . . . . 4675 1 1091 . 1 1 140 140 SER HA H 1 4.412 0.01 . 1 . . . . . . . . 4675 1 1092 . 1 1 140 140 SER C C 13 175.17 0.1 . 1 . . . . . . . . 4675 1 1093 . 1 1 140 140 SER CB C 13 63.60 0.1 . 1 . . . . . . . . 4675 1 1094 . 1 1 141 141 SER N N 15 117.50 0.1 . 1 . . . . . . . . 4675 1 1095 . 1 1 141 141 SER H H 1 8.190 0.01 . 1 . . . . . . . . 4675 1 1096 . 1 1 141 141 SER CA C 13 59.14 0.1 . 1 . . . . . . . . 4675 1 1097 . 1 1 141 141 SER HA H 1 4.380 0.01 . 1 . . . . . . . . 4675 1 1098 . 1 1 141 141 SER C C 13 175.10 0.1 . 1 . . . . . . . . 4675 1 1099 . 1 1 141 141 SER CB C 13 63.53 0.1 . 1 . . . . . . . . 4675 1 1100 . 1 1 142 142 LYS N N 15 122.77 0.1 . 1 . . . . . . . . 4675 1 1101 . 1 1 142 142 LYS H H 1 8.146 0.01 . 1 . . . . . . . . 4675 1 1102 . 1 1 142 142 LYS CA C 13 56.99 0.1 . 1 . . . . . . . . 4675 1 1103 . 1 1 142 142 LYS HA H 1 4.236 0.01 . 1 . . . . . . . . 4675 1 1104 . 1 1 142 142 LYS C C 13 176.77 0.1 . 1 . . . . . . . . 4675 1 1105 . 1 1 142 142 LYS CB C 13 32.75 0.1 . 1 . . . . . . . . 4675 1 1106 . 1 1 142 142 LYS HB3 H 1 1.764 0.01 . 2 . . . . . . . . 4675 1 1107 . 1 1 142 142 LYS HB2 H 1 1.851 0.01 . 2 . . . . . . . . 4675 1 1108 . 1 1 142 142 LYS CG C 13 25.00 0.1 . 1 . . . . . . . . 4675 1 1109 . 1 1 142 142 LYS HG3 H 1 1.393 0.01 . 2 . . . . . . . . 4675 1 1110 . 1 1 142 142 LYS HG2 H 1 1.446 0.01 . 2 . . . . . . . . 4675 1 1111 . 1 1 142 142 LYS CD C 13 29.03 0.1 . 1 . . . . . . . . 4675 1 1112 . 1 1 142 142 LYS CE C 13 42.05 0.1 . 1 . . . . . . . . 4675 1 1113 . 1 1 143 143 LEU N N 15 121.39 0.1 . 1 . . . . . . . . 4675 1 1114 . 1 1 143 143 LEU H H 1 7.942 0.01 . 1 . . . . . . . . 4675 1 1115 . 1 1 143 143 LEU CA C 13 55.52 0.1 . 1 . . . . . . . . 4675 1 1116 . 1 1 143 143 LEU HA H 1 4.285 0.01 . 1 . . . . . . . . 4675 1 1117 . 1 1 143 143 LEU C C 13 177.35 0.1 . 1 . . . . . . . . 4675 1 1118 . 1 1 143 143 LEU CB C 13 42.25 0.1 . 1 . . . . . . . . 4675 1 1119 . 1 1 143 143 LEU HB3 H 1 1.565 0.01 . 2 . . . . . . . . 4675 1 1120 . 1 1 143 143 LEU HB2 H 1 1.632 0.01 . 2 . . . . . . . . 4675 1 1121 . 1 1 143 143 LEU CD1 C 13 24.91 0.1 . 1 . . . . . . . . 4675 1 1122 . 1 1 143 143 LEU CD2 C 13 23.52 0.1 . 1 . . . . . . . . 4675 1 1123 . 1 1 144 144 LEU N N 15 122.16 0.1 . 1 . . . . . . . . 4675 1 1124 . 1 1 144 144 LEU H H 1 7.991 0.01 . 1 . . . . . . . . 4675 1 1125 . 1 1 144 144 LEU CA C 13 55.32 0.1 . 1 . . . . . . . . 4675 1 1126 . 1 1 144 144 LEU HA H 1 4.313 0.01 . 1 . . . . . . . . 4675 1 1127 . 1 1 144 144 LEU CB C 13 42.21 0.1 . 1 . . . . . . . . 4675 1 1128 . 1 1 144 144 LEU HB2 H 1 1.656 0.01 . 2 . . . . . . . . 4675 1 1129 . 1 1 145 145 ARG N N 15 121.17 0.1 . 1 . . . . . . . . 4675 1 1130 . 1 1 145 145 ARG H H 1 8.145 0.01 . 1 . . . . . . . . 4675 1 1131 . 1 1 145 145 ARG CA C 13 56.36 0.1 . 1 . . . . . . . . 4675 1 1132 . 1 1 145 145 ARG HA H 1 4.303 0.01 . 1 . . . . . . . . 4675 1 1133 . 1 1 145 145 ARG C C 13 176.83 0.1 . 1 . . . . . . . . 4675 1 1134 . 1 1 145 145 ARG CB C 13 30.68 0.1 . 1 . . . . . . . . 4675 1 1135 . 1 1 145 145 ARG HB3 H 1 1.862 0.01 . 2 . . . . . . . . 4675 1 1136 . 1 1 145 145 ARG HB2 H 1 1.752 0.01 . 2 . . . . . . . . 4675 1 1137 . 1 1 146 146 GLY N N 15 109.57 0.1 . 1 . . . . . . . . 4675 1 1138 . 1 1 146 146 GLY H H 1 8.324 0.01 . 1 . . . . . . . . 4675 1 1139 . 1 1 146 146 GLY CA C 13 45.41 0.1 . 1 . . . . . . . . 4675 1 1140 . 1 1 146 146 GLY C C 13 174.06 0.1 . 1 . . . . . . . . 4675 1 1141 . 1 1 147 147 ARG N N 15 120.36 0.1 . 1 . . . . . . . . 4675 1 1142 . 1 1 147 147 ARG H H 1 8.115 0.01 . 1 . . . . . . . . 4675 1 1143 . 1 1 147 147 ARG CA C 13 56.02 0.1 . 1 . . . . . . . . 4675 1 1144 . 1 1 147 147 ARG HA H 1 4.389 0.01 . 1 . . . . . . . . 4675 1 1145 . 1 1 147 147 ARG C C 13 176.40 0.1 . 1 . . . . . . . . 4675 1 1146 . 1 1 147 147 ARG CB C 13 30.94 0.1 . 1 . . . . . . . . 4675 1 1147 . 1 1 148 148 SER N N 15 117.08 0.1 . 1 . . . . . . . . 4675 1 1148 . 1 1 148 148 SER H H 1 8.329 0.01 . 1 . . . . . . . . 4675 1 1149 . 1 1 148 148 SER CA C 13 58.50 0.1 . 1 . . . . . . . . 4675 1 1150 . 1 1 148 148 SER C C 13 174.22 0.1 . 1 . . . . . . . . 4675 1 1151 . 1 1 148 148 SER CB C 13 63.86 0.1 . 1 . . . . . . . . 4675 1 1152 . 1 1 149 149 LYS N N 15 123.45 0.1 . 1 . . . . . . . . 4675 1 1153 . 1 1 149 149 LYS H H 1 8.261 0.01 . 1 . . . . . . . . 4675 1 1154 . 1 1 149 149 LYS CA C 13 56.34 0.1 . 1 . . . . . . . . 4675 1 1155 . 1 1 149 149 LYS HA H 1 4.320 0.01 . 1 . . . . . . . . 4675 1 1156 . 1 1 149 149 LYS C C 13 175.12 0.1 . 1 . . . . . . . . 4675 1 1157 . 1 1 149 149 LYS CB C 13 33.20 0.1 . 1 . . . . . . . . 4675 1 1158 . 1 1 150 150 ALA N N 15 131.00 0.1 . 1 . . . . . . . . 4675 1 1159 . 1 1 150 150 ALA H H 1 7.936 0.01 . 1 . . . . . . . . 4675 1 1160 . 1 1 150 150 ALA CA C 13 53.88 0.1 . 1 . . . . . . . . 4675 1 1161 . 1 1 150 150 ALA HA H 1 4.091 0.01 . 1 . . . . . . . . 4675 1 1162 . 1 1 150 150 ALA CB C 13 20.22 0.1 . 1 . . . . . . . . 4675 1 stop_ save_