data_5506 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5506 _Entry.Title ; Resonance assignments of the central complement control protein module pair of human decay accelerating factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-23 _Entry.Accession_date 2002-08-26 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _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 Stanislava Uhrinova . . . 5506 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5506 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 748 5506 '13C chemical shifts' 348 5506 '15N chemical shifts' 107 5506 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 . . 2002-12-27 2002-08-23 original author . 5506 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5506 _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 ; Resonance assignments of the central complement control protein module pair of human decay accelerating factor (DAF) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167 _Citation.Page_last 168 _Citation.Year 2002 _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 Stanislava Uhrinova . . . 5506 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'decay accelerating factor' 5506 1 'triple resonance experiments' 5506 1 NMR 5506 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5506 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11034410 _Citation.Full_citation ; Brodbeck, W.G., Mold, C., Atkinson, J.P. and Medof, M.E. (2000) J. Immunol., 165, 3999-4006. ; _Citation.Title 'Cooperation between decay-accelerating factor and membrane cofactor protein in protecting cells from autologous complement attack.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Immunol.' _Citation.Journal_name_full 'Journal of immunology (Baltimore, Md. : 1950)' _Citation.Journal_volume 165 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-1767 _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 3999 _Citation.Page_last 4006 _Citation.Year 2000 _Citation.Details ; Decay-accelerating factor (DAF or CD55) and membrane cofactor protein (MCP or CD46) function intrinsically in the membranes of self cells to prevent activation of autologous complement on their surfaces. How these two regulatory proteins cooperate on self-cell surfaces to inhibit autologous complement attack is unknown. In this study, a GPI-anchored form of MCP was generated. The ability of this recombinant protein and that of naturally GPI-anchored DAF to incorporate into cell membranes then was exploited to examine the combined functions of DAF and MCP in regulating complement intermediates assembled from purified alternative pathway components on rabbit erythrocytes. Quantitative studies with complement-coated rabbit erythrocyte intermediates constituted with each protein individually or the two proteins together demonstrated that DAF and MCP synergize the actions of each other in preventing C3b deposition on the cell surface. Further analyses showed that MCP's ability to catalyze the factor I-mediated cleavage of cell-bound C3b is inhibited in the presence of factors B and D and is restored when DAF is incorporated into the cells. Thus, the activities of DAF and MCP, when present together, are greater than the sum of the two proteins individually, and DAF is required for MCP to catalyze the cleavage of cell-bound C3b in the presence of excess factors B and D. These data are relevant to xenotransplantation, pharmacological inhibition of complement in inflammatory diseases, and evasion of tumor cells from humoral immune responses. ; 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 'W G' Brodbeck W. G. . 5506 2 2 C Mold C. . . 5506 2 3 'J P' Atkinson J. P. . 5506 2 4 'M E' Medof M. E. . 5506 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5506 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11516162 _Citation.Full_citation ; Lin, F., Immormino, R.M. and Medof, M.E. (2001) Arch. Biochem. Biophys., 393, 67-72. ; _Citation.Title 'Bulk production and functional analyses of mouse CD55's native and deglycosylated active domains.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full 'Archives of biochemistry and biophysics' _Citation.Journal_volume 393 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0003-9861 _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 67 _Citation.Page_last 72 _Citation.Year 2001 _Citation.Details ; We report the use of methylotrophic yeast Pichia pastoris as a host to efficiently express complement control protein repeats (CCPs) 1-4 of mouse decay accelerating factor (DAF, CD55) as a soluble protein. With this system, the mouse DAF CCP1-4-active-domain-containing module linked to a 6x His tag at its C terminus was secreted into the culture supernatant at 15 mg/L after 24 h of induction with methanol. A mouse DAF CCP1-4 mutant protein in which its two potential N-glycosylation sites were deleted by changing Asn(187) and Asn(262) to Gln was also produced. Using Ni(2+)-immobilized agarose affinity chromatography, the recombinant mouse DAF modules with their 6x His tags could be one-step isolated to SDS-PAGE purity. Polyclonal antibody against native mouse DAF CCP1-4 was raised by immunizing NZW rabbits with the purified product. Measurements of the bioactivities of the wild-type and mutant mouse DAF proteins in C3b uptake assays showed no differences in regulatory activities in either the classical or the alternative pathways. With the use of the mutant DAF protein, small rod-shaped crystals were produced and preliminary data obtained. The production of large quantities of functional recombinant mouse DAF CCP1-4 modules and their antibody offers the opportunity to study DAF structure and DAF function in vivo. ; 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 F Lin F. . . 5506 3 2 'R M' Immormino R. M. . 5506 3 3 M Shoham M. . . 5506 3 4 'M E' Medof M. E. . 5506 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DAF-23 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DAF-23 _Assembly.Entry_ID 5506 _Assembly.ID 1 _Assembly.Name 'double module' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5506 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 'DAF subunit 1' 1 $DAF . . . native . . . . . 5506 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'double module' system 5506 1 DAF~23 abbreviation 5506 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'regulator of complement activation' 5506 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DAF _Entity.Sf_category entity _Entity.Sf_framecode DAF _Entity.Entry_ID 5506 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'central complement control protein' _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 ; FRSCEVPTRLNSASLKQPYI TQNYFPVGTVVEYECRPGYR REPSLSPKLTCLQNLKWSTA VEFCKKKSCPNPGEIRNGQI DVPGGILFGATISFSCNTGY KLFGSTSSFCLISGSSVQWS DPLPECREHHHHHH ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16417 . DAF1234 . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 2 no PDB 1M11 . "Structural Model Of Human Decay-accelerating Factor Bound To Echovirus 7 From Cryo-electron Microscopy" . . . . . 96.27 243 98.45 99.22 4.93e-85 . . . . 5506 1 3 no PDB 1NWV . "Solution Structure Of A Functionally Active Component Of Decay Accelerating Factor" . . . . . 96.27 129 100.00 100.00 1.35e-88 . . . . 5506 1 4 no PDB 1OJV . "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 5 no PDB 1OJW . "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 6 no PDB 1OJY . "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 7 no PDB 1OK1 . "Decay Accelerating Factor (cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 8 no PDB 1OK2 . "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 9 no PDB 1OK3 . "Decay Accelerating Factor (cd55): The Structure Of An Intact Human Complement Regulator" . . . . . 96.27 254 98.45 99.22 2.40e-84 . . . . 5506 1 10 no PDB 1OK9 . "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 11 no PDB 2QZH . "Scr23 OF DAF FROM THE NMR STRUCTURE 1NWV FITTED INTO A Cryoem Reconstruction Of Cvb3-Rd Complexed With Daf" . . . . . 96.27 129 100.00 100.00 1.35e-88 . . . . 5506 1 12 no PDB 3IYP . "The Interaction Of Decay-Accelerating Factor With Echovirus 7" . . . . . 96.27 381 98.45 99.22 2.27e-84 . . . . 5506 1 13 no PDB 3J24 . "Cryoem Reconstruction Of Complement Decay-Accelerating Factor" . . . . . 96.27 254 98.45 99.22 1.66e-84 . . . . 5506 1 14 no DBJ BAE97422 . "decay-accelerating factor splicing variant 1 [Homo sapiens]" . . . . . 94.78 439 100.00 100.00 1.58e-83 . . . . 5506 1 15 no DBJ BAE97423 . "decay-accelerating factor splicing variant 2 [Homo sapiens]" . . . . . 96.27 364 98.45 99.22 2.05e-84 . . . . 5506 1 16 no DBJ BAE97424 . "decay-accelerating factor splicing variant 3 [Homo sapiens]" . . . . . 96.27 384 98.45 99.22 2.58e-84 . . . . 5506 1 17 no DBJ BAE97425 . "decay-accelerating factor splicing variant 4 [Homo sapiens]" . . . . . 94.78 525 100.00 100.00 9.18e-85 . . . . 5506 1 18 no DBJ BAE97426 . "decay-accelerating factor splicing variant 5 [Homo sapiens]" . . . . . 94.78 551 100.00 100.00 1.44e-84 . . . . 5506 1 19 no GB AAA52167 . "decay-accelerating factor precursor, partial [Homo sapiens]" . . . . . 96.27 376 98.45 99.22 3.45e-84 . . . . 5506 1 20 no GB AAA52168 . "decay-accelerating factor A [Homo sapiens]" . . . . . 96.27 381 98.45 99.22 2.76e-84 . . . . 5506 1 21 no GB AAA52169 . "decay-accelerating factor [Homo sapiens]" . . . . . 96.27 381 98.45 99.22 2.76e-84 . . . . 5506 1 22 no GB AAB48622 . "decay-acceleration factor [Homo sapiens]" . . . . . 94.78 347 99.21 100.00 2.53e-84 . . . . 5506 1 23 no GB AAF73176 . "decay-accelerating factor [Pan troglodytes]" . . . . . 96.27 347 97.67 97.67 2.55e-83 . . . . 5506 1 24 no PRF 1303335A . "decay accelerating factor long" . . . . . 94.78 440 100.00 100.00 1.95e-83 . . . . 5506 1 25 no PRF 1303335B . "decay accelerating factor short" . . . . . 96.27 381 98.45 99.22 2.76e-84 . . . . 5506 1 26 no REF NP_000565 . "complement decay-accelerating factor isoform 1 preproprotein [Homo sapiens]" . . . . . 96.27 381 98.45 99.22 2.76e-84 . . . . 5506 1 27 no REF NP_001108224 . "complement decay-accelerating factor isoform 2 precursor [Homo sapiens]" . . . . . 94.78 440 100.00 100.00 1.95e-83 . . . . 5506 1 28 no REF NP_001287831 . "complement decay-accelerating factor isoform 5 precursor [Homo sapiens]" . . . . . 96.27 444 98.45 99.22 1.29e-82 . . . . 5506 1 29 no REF NP_001287832 . "complement decay-accelerating factor isoform 6 precursor [Homo sapiens]" . . . . . 94.78 439 100.00 100.00 1.58e-83 . . . . 5506 1 30 no REF NP_001287833 . "complement decay-accelerating factor isoform 7 precursor [Homo sapiens]" . . . . . 96.27 384 98.45 99.22 2.58e-84 . . . . 5506 1 31 no SP P08174 . "RecName: Full=Complement decay-accelerating factor; AltName: CD_antigen=CD55; Flags: Precursor [Homo sapiens]" . . . . . 96.27 381 98.45 99.22 2.76e-84 . . . . 5506 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'central complement control protein' common 5506 1 DAF abbreviation 5506 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 61 PHE . 5506 1 2 62 ARG . 5506 1 3 63 SER . 5506 1 4 64 CYS . 5506 1 5 65 GLU . 5506 1 6 66 VAL . 5506 1 7 67 PRO . 5506 1 8 68 THR . 5506 1 9 69 ARG . 5506 1 10 70 LEU . 5506 1 11 71 ASN . 5506 1 12 72 SER . 5506 1 13 73 ALA . 5506 1 14 74 SER . 5506 1 15 75 LEU . 5506 1 16 76 LYS . 5506 1 17 77 GLN . 5506 1 18 78 PRO . 5506 1 19 79 TYR . 5506 1 20 80 ILE . 5506 1 21 81 THR . 5506 1 22 82 GLN . 5506 1 23 83 ASN . 5506 1 24 84 TYR . 5506 1 25 85 PHE . 5506 1 26 86 PRO . 5506 1 27 87 VAL . 5506 1 28 88 GLY . 5506 1 29 89 THR . 5506 1 30 90 VAL . 5506 1 31 91 VAL . 5506 1 32 92 GLU . 5506 1 33 93 TYR . 5506 1 34 94 GLU . 5506 1 35 95 CYS . 5506 1 36 96 ARG . 5506 1 37 97 PRO . 5506 1 38 98 GLY . 5506 1 39 99 TYR . 5506 1 40 100 ARG . 5506 1 41 101 ARG . 5506 1 42 102 GLU . 5506 1 43 103 PRO . 5506 1 44 104 SER . 5506 1 45 105 LEU . 5506 1 46 106 SER . 5506 1 47 107 PRO . 5506 1 48 108 LYS . 5506 1 49 109 LEU . 5506 1 50 110 THR . 5506 1 51 111 CYS . 5506 1 52 112 LEU . 5506 1 53 113 GLN . 5506 1 54 114 ASN . 5506 1 55 115 LEU . 5506 1 56 116 LYS . 5506 1 57 117 TRP . 5506 1 58 118 SER . 5506 1 59 119 THR . 5506 1 60 120 ALA . 5506 1 61 121 VAL . 5506 1 62 122 GLU . 5506 1 63 123 PHE . 5506 1 64 124 CYS . 5506 1 65 125 LYS . 5506 1 66 126 LYS . 5506 1 67 127 LYS . 5506 1 68 128 SER . 5506 1 69 129 CYS . 5506 1 70 130 PRO . 5506 1 71 131 ASN . 5506 1 72 132 PRO . 5506 1 73 133 GLY . 5506 1 74 134 GLU . 5506 1 75 135 ILE . 5506 1 76 136 ARG . 5506 1 77 137 ASN . 5506 1 78 138 GLY . 5506 1 79 139 GLN . 5506 1 80 140 ILE . 5506 1 81 141 ASP . 5506 1 82 142 VAL . 5506 1 83 143 PRO . 5506 1 84 144 GLY . 5506 1 85 145 GLY . 5506 1 86 146 ILE . 5506 1 87 147 LEU . 5506 1 88 148 PHE . 5506 1 89 149 GLY . 5506 1 90 150 ALA . 5506 1 91 151 THR . 5506 1 92 152 ILE . 5506 1 93 153 SER . 5506 1 94 154 PHE . 5506 1 95 155 SER . 5506 1 96 156 CYS . 5506 1 97 157 ASN . 5506 1 98 158 THR . 5506 1 99 159 GLY . 5506 1 100 160 TYR . 5506 1 101 161 LYS . 5506 1 102 162 LEU . 5506 1 103 163 PHE . 5506 1 104 164 GLY . 5506 1 105 165 SER . 5506 1 106 166 THR . 5506 1 107 167 SER . 5506 1 108 168 SER . 5506 1 109 169 PHE . 5506 1 110 170 CYS . 5506 1 111 171 LEU . 5506 1 112 172 ILE . 5506 1 113 173 SER . 5506 1 114 174 GLY . 5506 1 115 175 SER . 5506 1 116 176 SER . 5506 1 117 177 VAL . 5506 1 118 178 GLN . 5506 1 119 179 TRP . 5506 1 120 180 SER . 5506 1 121 181 ASP . 5506 1 122 182 PRO . 5506 1 123 183 LEU . 5506 1 124 184 PRO . 5506 1 125 185 GLU . 5506 1 126 186 CYS . 5506 1 127 187 ARG . 5506 1 128 188 GLU . 5506 1 129 189 HIS . 5506 1 130 190 HIS . 5506 1 131 191 HIS . 5506 1 132 192 HIS . 5506 1 133 193 HIS . 5506 1 134 194 HIS . 5506 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 . PHE 1 1 5506 1 . ARG 2 2 5506 1 . SER 3 3 5506 1 . CYS 4 4 5506 1 . GLU 5 5 5506 1 . VAL 6 6 5506 1 . PRO 7 7 5506 1 . THR 8 8 5506 1 . ARG 9 9 5506 1 . LEU 10 10 5506 1 . ASN 11 11 5506 1 . SER 12 12 5506 1 . ALA 13 13 5506 1 . SER 14 14 5506 1 . LEU 15 15 5506 1 . LYS 16 16 5506 1 . GLN 17 17 5506 1 . PRO 18 18 5506 1 . TYR 19 19 5506 1 . ILE 20 20 5506 1 . THR 21 21 5506 1 . GLN 22 22 5506 1 . ASN 23 23 5506 1 . TYR 24 24 5506 1 . PHE 25 25 5506 1 . PRO 26 26 5506 1 . VAL 27 27 5506 1 . GLY 28 28 5506 1 . THR 29 29 5506 1 . VAL 30 30 5506 1 . VAL 31 31 5506 1 . GLU 32 32 5506 1 . TYR 33 33 5506 1 . GLU 34 34 5506 1 . CYS 35 35 5506 1 . ARG 36 36 5506 1 . PRO 37 37 5506 1 . GLY 38 38 5506 1 . TYR 39 39 5506 1 . ARG 40 40 5506 1 . ARG 41 41 5506 1 . GLU 42 42 5506 1 . PRO 43 43 5506 1 . SER 44 44 5506 1 . LEU 45 45 5506 1 . SER 46 46 5506 1 . PRO 47 47 5506 1 . LYS 48 48 5506 1 . LEU 49 49 5506 1 . THR 50 50 5506 1 . CYS 51 51 5506 1 . LEU 52 52 5506 1 . GLN 53 53 5506 1 . ASN 54 54 5506 1 . LEU 55 55 5506 1 . LYS 56 56 5506 1 . TRP 57 57 5506 1 . SER 58 58 5506 1 . THR 59 59 5506 1 . ALA 60 60 5506 1 . VAL 61 61 5506 1 . GLU 62 62 5506 1 . PHE 63 63 5506 1 . CYS 64 64 5506 1 . LYS 65 65 5506 1 . LYS 66 66 5506 1 . LYS 67 67 5506 1 . SER 68 68 5506 1 . CYS 69 69 5506 1 . PRO 70 70 5506 1 . ASN 71 71 5506 1 . PRO 72 72 5506 1 . GLY 73 73 5506 1 . GLU 74 74 5506 1 . ILE 75 75 5506 1 . ARG 76 76 5506 1 . ASN 77 77 5506 1 . GLY 78 78 5506 1 . GLN 79 79 5506 1 . ILE 80 80 5506 1 . ASP 81 81 5506 1 . VAL 82 82 5506 1 . PRO 83 83 5506 1 . GLY 84 84 5506 1 . GLY 85 85 5506 1 . ILE 86 86 5506 1 . LEU 87 87 5506 1 . PHE 88 88 5506 1 . GLY 89 89 5506 1 . ALA 90 90 5506 1 . THR 91 91 5506 1 . ILE 92 92 5506 1 . SER 93 93 5506 1 . PHE 94 94 5506 1 . SER 95 95 5506 1 . CYS 96 96 5506 1 . ASN 97 97 5506 1 . THR 98 98 5506 1 . GLY 99 99 5506 1 . TYR 100 100 5506 1 . LYS 101 101 5506 1 . LEU 102 102 5506 1 . PHE 103 103 5506 1 . GLY 104 104 5506 1 . SER 105 105 5506 1 . THR 106 106 5506 1 . SER 107 107 5506 1 . SER 108 108 5506 1 . PHE 109 109 5506 1 . CYS 110 110 5506 1 . LEU 111 111 5506 1 . ILE 112 112 5506 1 . SER 113 113 5506 1 . GLY 114 114 5506 1 . SER 115 115 5506 1 . SER 116 116 5506 1 . VAL 117 117 5506 1 . GLN 118 118 5506 1 . TRP 119 119 5506 1 . SER 120 120 5506 1 . ASP 121 121 5506 1 . PRO 122 122 5506 1 . LEU 123 123 5506 1 . PRO 124 124 5506 1 . GLU 125 125 5506 1 . CYS 126 126 5506 1 . ARG 127 127 5506 1 . GLU 128 128 5506 1 . HIS 129 129 5506 1 . HIS 130 130 5506 1 . HIS 131 131 5506 1 . HIS 132 132 5506 1 . HIS 133 133 5506 1 . HIS 134 134 5506 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 5506 _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 $DAF . 4922 . . 'Pichia pastoris' 'Pichia pastoris' . . Eukaryota Fungi Pichia pastoris . . . . . . . . . . . . . . . . . . . . . 5506 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 5506 _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 $DAF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5506 _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 'central complement control protein' '[U-98% 15N; U-98% 13C]' . . 1 $DAF . . 1 0.8 1.0 mM . . . . 5506 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5506 _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* 5.0 0.15 n/a 5506 1 temperature 310 1 K 5506 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5506 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5506 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Inova . 600 . . . 5506 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 5506 _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 'triple resonance experiments:' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 4 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 5 HBHA(CBCA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 7 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5506 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'triple resonance experiments:' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CBCA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5506 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5506 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5506 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5506 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5506 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5506 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5506 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE N N 15 122.13 0.1 . 1 . . . . . . . . 5506 1 2 . 1 1 1 1 PHE H H 1 8.06 0.02 . 1 . . . . . . . . 5506 1 3 . 1 1 1 1 PHE CA C 13 57.66 0.25 . 1 . . . . . . . . 5506 1 4 . 1 1 1 1 PHE HA H 1 4.16 0.02 . 1 . . . . . . . . 5506 1 5 . 1 1 1 1 PHE CB C 13 39.61 0.25 . 1 . . . . . . . . 5506 1 6 . 1 1 1 1 PHE HB2 H 1 3.22 0.02 . 1 . . . . . . . . 5506 1 7 . 1 1 1 1 PHE HB3 H 1 3.00 0.02 . 1 . . . . . . . . 5506 1 8 . 1 1 2 2 ARG N N 15 124.57 0.1 . 1 . . . . . . . . 5506 1 9 . 1 1 2 2 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 5506 1 10 . 1 1 2 2 ARG CA C 13 56.15 0.25 . 1 . . . . . . . . 5506 1 11 . 1 1 2 2 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5506 1 12 . 1 1 2 2 ARG CB C 13 31.32 0.25 . 1 . . . . . . . . 5506 1 13 . 1 1 2 2 ARG HB2 H 1 1.61 0.02 . 1 . . . . . . . . 5506 1 14 . 1 1 2 2 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5506 1 15 . 1 1 2 2 ARG HG2 H 1 1.84 0.02 . 1 . . . . . . . . 5506 1 16 . 1 1 2 2 ARG CD C 13 43.49 0.25 . 1 . . . . . . . . 5506 1 17 . 1 1 2 2 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5506 1 18 . 1 1 2 2 ARG HH11 H 1 6.69 0.02 . 1 . . . . . . . . 5506 1 19 . 1 1 2 2 ARG HH21 H 1 6.62 0.02 . 1 . . . . . . . . 5506 1 20 . 1 1 2 2 ARG HH22 H 1 6.62 0.02 . 1 . . . . . . . . 5506 1 21 . 1 1 3 3 SER N N 15 116.30 0.1 . 1 . . . . . . . . 5506 1 22 . 1 1 3 3 SER H H 1 7.91 0.02 . 1 . . . . . . . . 5506 1 23 . 1 1 3 3 SER CA C 13 56.41 0.25 . 1 . . . . . . . . 5506 1 24 . 1 1 3 3 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 5506 1 25 . 1 1 3 3 SER CB C 13 66.36 0.25 . 1 . . . . . . . . 5506 1 26 . 1 1 3 3 SER HB2 H 1 3.56 0.02 . 1 . . . . . . . . 5506 1 27 . 1 1 3 3 SER HB3 H 1 3.49 0.02 . 1 . . . . . . . . 5506 1 28 . 1 1 4 4 CYS N N 15 123.47 0.1 . 1 . . . . . . . . 5506 1 29 . 1 1 4 4 CYS H H 1 8.79 0.02 . 1 . . . . . . . . 5506 1 30 . 1 1 4 4 CYS CA C 13 61.73 0.25 . 1 . . . . . . . . 5506 1 31 . 1 1 4 4 CYS HA H 1 4.39 0.02 . 1 . . . . . . . . 5506 1 32 . 1 1 4 4 CYS CB C 13 43.42 0.25 . 1 . . . . . . . . 5506 1 33 . 1 1 4 4 CYS HB2 H 1 2.35 0.02 . 1 . . . . . . . . 5506 1 34 . 1 1 4 4 CYS HB3 H 1 2.90 0.02 . 1 . . . . . . . . 5506 1 35 . 1 1 5 5 GLU N N 15 122.04 0.1 . 1 . . . . . . . . 5506 1 36 . 1 1 5 5 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 5506 1 37 . 1 1 5 5 GLU CA C 13 56.19 0.25 . 1 . . . . . . . . 5506 1 38 . 1 1 5 5 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . 5506 1 39 . 1 1 5 5 GLU CB C 13 31.39 0.25 . 1 . . . . . . . . 5506 1 40 . 1 1 5 5 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5506 1 41 . 1 1 5 5 GLU HB3 H 1 2.85 0.02 . 1 . . . . . . . . 5506 1 42 . 1 1 5 5 GLU CG C 13 36.62 0.25 . 1 . . . . . . . . 5506 1 43 . 1 1 6 6 VAL N N 15 123.67 0.1 . 1 . . . . . . . . 5506 1 44 . 1 1 6 6 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5506 1 45 . 1 1 6 6 VAL CA C 13 62.65 0.25 . 1 . . . . . . . . 5506 1 46 . 1 1 6 6 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5506 1 47 . 1 1 6 6 VAL CB C 13 33.27 0.25 . 1 . . . . . . . . 5506 1 48 . 1 1 6 6 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5506 1 49 . 1 1 6 6 VAL CG1 C 13 21.35 0.25 . 1 . . . . . . . . 5506 1 50 . 1 1 6 6 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 5506 1 51 . 1 1 6 6 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 5506 1 52 . 1 1 6 6 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 5506 1 53 . 1 1 6 6 VAL CG2 C 13 21.15 0.25 . 1 . . . . . . . . 5506 1 54 . 1 1 6 6 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 55 . 1 1 6 6 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 56 . 1 1 6 6 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 57 . 1 1 7 7 PRO CA C 13 63.2 0.25 . 1 . . . . . . . . 5506 1 58 . 1 1 7 7 PRO HA H 1 2.79 0.02 . 1 . . . . . . . . 5506 1 59 . 1 1 7 7 PRO HD2 H 1 3.03 0.02 . 1 . . . . . . . . 5506 1 60 . 1 1 7 7 PRO HD3 H 1 3.03 0.02 . 1 . . . . . . . . 5506 1 61 . 1 1 7 7 PRO CB C 13 31.9 0.25 . 1 . . . . . . . . 5506 1 62 . 1 1 7 7 PRO HB2 H 1 0.76 0.02 . 1 . . . . . . . . 5506 1 63 . 1 1 7 7 PRO HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5506 1 64 . 1 1 7 7 PRO CG C 13 27.2 0.25 . 1 . . . . . . . . 5506 1 65 . 1 1 7 7 PRO HG2 H 1 1.11 0.02 . 1 . . . . . . . . 5506 1 66 . 1 1 7 7 PRO HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5506 1 67 . 1 1 8 8 THR N N 15 115.81 0.1 . 1 . . . . . . . . 5506 1 68 . 1 1 8 8 THR H H 1 6.52 0.02 . 1 . . . . . . . . 5506 1 69 . 1 1 8 8 THR CA C 13 63.20 0.25 . 1 . . . . . . . . 5506 1 70 . 1 1 8 8 THR HA H 1 3.77 0.02 . 1 . . . . . . . . 5506 1 71 . 1 1 8 8 THR CB C 13 70.12 0.25 . 1 . . . . . . . . 5506 1 72 . 1 1 8 8 THR HB H 1 3.60 0.02 . 1 . . . . . . . . 5506 1 73 . 1 1 8 8 THR CG2 C 13 22.02 0.25 . 1 . . . . . . . . 5506 1 74 . 1 1 8 8 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5506 1 75 . 1 1 8 8 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5506 1 76 . 1 1 8 8 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5506 1 77 . 1 1 9 9 ARG N N 15 130.01 0.1 . 1 . . . . . . . . 5506 1 78 . 1 1 9 9 ARG H H 1 8.49 0.02 . 1 . . . . . . . . 5506 1 79 . 1 1 9 9 ARG CA C 13 56.80 0.25 . 1 . . . . . . . . 5506 1 80 . 1 1 9 9 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5506 1 81 . 1 1 9 9 ARG CB C 13 30.44 0.25 . 1 . . . . . . . . 5506 1 82 . 1 1 9 9 ARG HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5506 1 83 . 1 1 9 9 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5506 1 84 . 1 1 9 9 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5506 1 85 . 1 1 9 9 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5506 1 86 . 1 1 10 10 LEU N N 15 128.17 0.1 . 1 . . . . . . . . 5506 1 87 . 1 1 10 10 LEU H H 1 8.89 0.02 . 1 . . . . . . . . 5506 1 88 . 1 1 10 10 LEU CA C 13 53.67 0.25 . 1 . . . . . . . . 5506 1 89 . 1 1 10 10 LEU HA H 1 4.61 0.02 . 1 . . . . . . . . 5506 1 90 . 1 1 10 10 LEU CB C 13 44.37 0.25 . 1 . . . . . . . . 5506 1 91 . 1 1 10 10 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5506 1 92 . 1 1 10 10 LEU HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5506 1 93 . 1 1 10 10 LEU HG H 1 1.24 0.02 . 1 . . . . . . . . 5506 1 94 . 1 1 10 10 LEU CD1 C 13 26.35 0.25 . 1 . . . . . . . . 5506 1 95 . 1 1 10 10 LEU HD11 H 1 0.06 0.02 . 1 . . . . . . . . 5506 1 96 . 1 1 10 10 LEU HD12 H 1 0.06 0.02 . 1 . . . . . . . . 5506 1 97 . 1 1 10 10 LEU HD13 H 1 0.06 0.02 . 1 . . . . . . . . 5506 1 98 . 1 1 10 10 LEU CD2 C 13 23.30 0.25 . 1 . . . . . . . . 5506 1 99 . 1 1 10 10 LEU HD21 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 100 . 1 1 10 10 LEU HD22 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 101 . 1 1 10 10 LEU HD23 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 102 . 1 1 11 11 ASN N N 15 122.15 0.1 . 1 . . . . . . . . 5506 1 103 . 1 1 11 11 ASN H H 1 9.52 0.02 . 1 . . . . . . . . 5506 1 104 . 1 1 11 11 ASN CA C 13 55.67 0.25 . 1 . . . . . . . . 5506 1 105 . 1 1 11 11 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5506 1 106 . 1 1 11 11 ASN CB C 13 38.88 0.25 . 1 . . . . . . . . 5506 1 107 . 1 1 11 11 ASN HB2 H 1 2.65 0.02 . 1 . . . . . . . . 5506 1 108 . 1 1 11 11 ASN HB3 H 1 2.70 0.02 . 1 . . . . . . . . 5506 1 109 . 1 1 11 11 ASN HD21 H 1 6.76 0.02 . 1 . . . . . . . . 5506 1 110 . 1 1 11 11 ASN HD22 H 1 7.02 0.02 . 1 . . . . . . . . 5506 1 111 . 1 1 12 12 SER N N 15 112.03 0.1 . 1 . . . . . . . . 5506 1 112 . 1 1 12 12 SER H H 1 8.13 0.02 . 1 . . . . . . . . 5506 1 113 . 1 1 12 12 SER CA C 13 57.94 0.25 . 1 . . . . . . . . 5506 1 114 . 1 1 12 12 SER HA H 1 2.70 0.02 . 1 . . . . . . . . 5506 1 115 . 1 1 12 12 SER CB C 13 65.74 0.25 . 1 . . . . . . . . 5506 1 116 . 1 1 12 12 SER HB2 H 1 3.14 0.02 . 1 . . . . . . . . 5506 1 117 . 1 1 12 12 SER HB3 H 1 3.14 0.02 . 1 . . . . . . . . 5506 1 118 . 1 1 13 13 ALA N N 15 122.92 0.1 . 1 . . . . . . . . 5506 1 119 . 1 1 13 13 ALA H H 1 6.69 0.02 . 1 . . . . . . . . 5506 1 120 . 1 1 13 13 ALA CA C 13 52.00 0.25 . 1 . . . . . . . . 5506 1 121 . 1 1 13 13 ALA HA H 1 5.12 0.02 . 1 . . . . . . . . 5506 1 122 . 1 1 13 13 ALA CB C 13 25.16 0.25 . 1 . . . . . . . . 5506 1 123 . 1 1 13 13 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5506 1 124 . 1 1 13 13 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5506 1 125 . 1 1 13 13 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5506 1 126 . 1 1 14 14 SER N N 15 116.36 0.1 . 1 . . . . . . . . 5506 1 127 . 1 1 14 14 SER H H 1 9.29 0.02 . 1 . . . . . . . . 5506 1 128 . 1 1 14 14 SER CA C 13 56.80 0.25 . 1 . . . . . . . . 5506 1 129 . 1 1 14 14 SER HA H 1 4.79 0.02 . 1 . . . . . . . . 5506 1 130 . 1 1 14 14 SER CB C 13 66.18 0.25 . 1 . . . . . . . . 5506 1 131 . 1 1 14 14 SER HB2 H 1 3.77 0.02 . 1 . . . . . . . . 5506 1 132 . 1 1 14 14 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 5506 1 133 . 1 1 15 15 LEU N N 15 127.39 0.1 . 1 . . . . . . . . 5506 1 134 . 1 1 15 15 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 5506 1 135 . 1 1 15 15 LEU CA C 13 56.11 0.25 . 1 . . . . . . . . 5506 1 136 . 1 1 15 15 LEU HA H 1 3.63 0.02 . 1 . . . . . . . . 5506 1 137 . 1 1 15 15 LEU CB C 13 43.68 0.25 . 1 . . . . . . . . 5506 1 138 . 1 1 15 15 LEU HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5506 1 139 . 1 1 15 15 LEU HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5506 1 140 . 1 1 15 15 LEU CG C 13 26.88 0.25 . 1 . . . . . . . . 5506 1 141 . 1 1 15 15 LEU CD1 C 13 25.24 0.25 . 1 . . . . . . . . 5506 1 142 . 1 1 15 15 LEU HD11 H 1 0.43 0.02 . 1 . . . . . . . . 5506 1 143 . 1 1 15 15 LEU HD12 H 1 0.43 0.02 . 1 . . . . . . . . 5506 1 144 . 1 1 15 15 LEU HD13 H 1 0.43 0.02 . 1 . . . . . . . . 5506 1 145 . 1 1 15 15 LEU CD2 C 13 23.57 0.25 . 1 . . . . . . . . 5506 1 146 . 1 1 15 15 LEU HD21 H 1 -0.02 0.02 . 1 . . . . . . . . 5506 1 147 . 1 1 15 15 LEU HD22 H 1 -0.02 0.02 . 1 . . . . . . . . 5506 1 148 . 1 1 15 15 LEU HD23 H 1 -0.02 0.02 . 1 . . . . . . . . 5506 1 149 . 1 1 16 16 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 5506 1 150 . 1 1 17 17 GLN H H 1 7.45 0.02 . 1 . . . . . . . . 5506 1 151 . 1 1 17 17 GLN CG C 13 36.08 0.25 . 1 . . . . . . . . 5506 1 152 . 1 1 17 17 GLN HE21 H 1 6.55 0.02 . 1 . . . . . . . . 5506 1 153 . 1 1 18 18 PRO CA C 13 63.70 0.25 . 1 . . . . . . . . 5506 1 154 . 1 1 18 18 PRO HA H 1 4.87 0.02 . 1 . . . . . . . . 5506 1 155 . 1 1 18 18 PRO CD C 13 49.2 0.25 . 1 . . . . . . . . 5506 1 156 . 1 1 18 18 PRO HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5506 1 157 . 1 1 18 18 PRO CB C 13 34.26 0.25 . 1 . . . . . . . . 5506 1 158 . 1 1 18 18 PRO HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5506 1 159 . 1 1 18 18 PRO HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5506 1 160 . 1 1 18 18 PRO CG C 13 24.27 0.25 . 1 . . . . . . . . 5506 1 161 . 1 1 19 19 TYR N N 15 126.79 0.1 . 1 . . . . . . . . 5506 1 162 . 1 1 19 19 TYR H H 1 7.07 0.02 . 1 . . . . . . . . 5506 1 163 . 1 1 19 19 TYR CA C 13 59.65 0.25 . 1 . . . . . . . . 5506 1 164 . 1 1 19 19 TYR HA H 1 4.48 0.02 . 1 . . . . . . . . 5506 1 165 . 1 1 19 19 TYR CB C 13 38.21 0.25 . 1 . . . . . . . . 5506 1 166 . 1 1 19 19 TYR HB2 H 1 3.06 0.02 . 1 . . . . . . . . 5506 1 167 . 1 1 19 19 TYR HB3 H 1 3.20 0.02 . 1 . . . . . . . . 5506 1 168 . 1 1 19 19 TYR HD1 H 1 7.43 0.02 . 1 . . . . . . . . 5506 1 169 . 1 1 19 19 TYR HD2 H 1 7.43 0.02 . 1 . . . . . . . . 5506 1 170 . 1 1 19 19 TYR HE1 H 1 7.05 0.02 . 1 . . . . . . . . 5506 1 171 . 1 1 19 19 TYR HE2 H 1 7.05 0.02 . 1 . . . . . . . . 5506 1 172 . 1 1 20 20 ILE N N 15 115.85 0.1 . 1 . . . . . . . . 5506 1 173 . 1 1 20 20 ILE H H 1 7.34 0.02 . 1 . . . . . . . . 5506 1 174 . 1 1 20 20 ILE CA C 13 63.34 0.25 . 1 . . . . . . . . 5506 1 175 . 1 1 20 20 ILE HA H 1 4.00 0.02 . 1 . . . . . . . . 5506 1 176 . 1 1 20 20 ILE CB C 13 38.52 0.25 . 1 . . . . . . . . 5506 1 177 . 1 1 20 20 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 5506 1 178 . 1 1 20 20 ILE CG2 C 13 17.85 0.25 . 1 . . . . . . . . 5506 1 179 . 1 1 20 20 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 180 . 1 1 20 20 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 181 . 1 1 20 20 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 182 . 1 1 20 20 ILE CG1 C 13 29.78 0.25 . 1 . . . . . . . . 5506 1 183 . 1 1 20 20 ILE HG12 H 1 1.47 0.02 . 1 . . . . . . . . 5506 1 184 . 1 1 20 20 ILE HG13 H 1 1.23 0.02 . 1 . . . . . . . . 5506 1 185 . 1 1 20 20 ILE CD1 C 13 14.36 0.25 . 1 . . . . . . . . 5506 1 186 . 1 1 20 20 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 187 . 1 1 20 20 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 188 . 1 1 20 20 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 189 . 1 1 21 21 THR N N 15 131.69 0.1 . 1 . . . . . . . . 5506 1 190 . 1 1 21 21 THR H H 1 7.43 0.02 . 1 . . . . . . . . 5506 1 191 . 1 1 21 21 THR CA C 13 61.30 0.25 . 1 . . . . . . . . 5506 1 192 . 1 1 21 21 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 5506 1 193 . 1 1 21 21 THR CB C 13 69.34 0.25 . 1 . . . . . . . . 5506 1 194 . 1 1 21 21 THR HB H 1 4.56 0.02 . 1 . . . . . . . . 5506 1 195 . 1 1 21 21 THR CG2 C 13 22.76 0.25 . 1 . . . . . . . . 5506 1 196 . 1 1 21 21 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5506 1 197 . 1 1 21 21 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5506 1 198 . 1 1 21 21 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5506 1 199 . 1 1 22 22 GLN N N 15 124.80 0.1 . 1 . . . . . . . . 5506 1 200 . 1 1 22 22 GLN H H 1 7.39 0.02 . 1 . . . . . . . . 5506 1 201 . 1 1 22 22 GLN CA C 13 56.36 0.25 . 1 . . . . . . . . 5506 1 202 . 1 1 22 22 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 5506 1 203 . 1 1 22 22 GLN CB C 13 30.33 0.25 . 1 . . . . . . . . 5506 1 204 . 1 1 22 22 GLN HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5506 1 205 . 1 1 22 22 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5506 1 206 . 1 1 23 23 ASN N N 15 118.70 0.1 . 1 . . . . . . . . 5506 1 207 . 1 1 23 23 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 5506 1 208 . 1 1 23 23 ASN CA C 13 53.49 0.25 . 1 . . . . . . . . 5506 1 209 . 1 1 23 23 ASN HA H 1 4.88 0.02 . 1 . . . . . . . . 5506 1 210 . 1 1 23 23 ASN CB C 13 40.70 0.25 . 1 . . . . . . . . 5506 1 211 . 1 1 23 23 ASN HB2 H 1 2.71 0.02 . 1 . . . . . . . . 5506 1 212 . 1 1 23 23 ASN HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5506 1 213 . 1 1 24 24 TYR N N 15 121.69 0.1 . 1 . . . . . . . . 5506 1 214 . 1 1 24 24 TYR H H 1 7.03 0.02 . 1 . . . . . . . . 5506 1 215 . 1 1 24 24 TYR CA C 13 57.09 0.25 . 1 . . . . . . . . 5506 1 216 . 1 1 24 24 TYR HA H 1 4.83 0.02 . 1 . . . . . . . . 5506 1 217 . 1 1 24 24 TYR CB C 13 40.43 0.25 . 1 . . . . . . . . 5506 1 218 . 1 1 24 24 TYR HB2 H 1 2.80 0.02 . 1 . . . . . . . . 5506 1 219 . 1 1 24 24 TYR HB3 H 1 2.86 0.02 . 1 . . . . . . . . 5506 1 220 . 1 1 24 24 TYR HE1 H 1 6.70 0.02 . 1 . . . . . . . . 5506 1 221 . 1 1 24 24 TYR HE2 H 1 6.70 0.02 . 1 . . . . . . . . 5506 1 222 . 1 1 25 25 PHE N N 15 125.23 0.1 . 1 . . . . . . . . 5506 1 223 . 1 1 25 25 PHE H H 1 8.73 0.02 . 1 . . . . . . . . 5506 1 224 . 1 1 25 25 PHE HA H 1 4.66 0.02 . 1 . . . . . . . . 5506 1 225 . 1 1 25 25 PHE HB2 H 1 2.88 0.02 . 1 . . . . . . . . 5506 1 226 . 1 1 25 25 PHE HB3 H 1 3.48 0.02 . 1 . . . . . . . . 5506 1 227 . 1 1 25 25 PHE HD1 H 1 7.23 0.02 . 1 . . . . . . . . 5506 1 228 . 1 1 25 25 PHE HD2 H 1 7.23 0.02 . 1 . . . . . . . . 5506 1 229 . 1 1 25 25 PHE HE1 H 1 6.69 0.02 . 1 . . . . . . . . 5506 1 230 . 1 1 25 25 PHE HE2 H 1 6.69 0.02 . 1 . . . . . . . . 5506 1 231 . 1 1 26 26 PRO CA C 13 62.25 0.25 . 1 . . . . . . . . 5506 1 232 . 1 1 26 26 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5506 1 233 . 1 1 26 26 PRO HD2 H 1 2.73 0.02 . 1 . . . . . . . . 5506 1 234 . 1 1 26 26 PRO HD3 H 1 2.73 0.02 . 1 . . . . . . . . 5506 1 235 . 1 1 26 26 PRO CB C 13 30.97 0.25 . 1 . . . . . . . . 5506 1 236 . 1 1 27 27 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5506 1 237 . 1 1 27 27 VAL CA C 13 66.06 0.25 . 1 . . . . . . . . 5506 1 238 . 1 1 27 27 VAL HA H 1 3.22 0.02 . 1 . . . . . . . . 5506 1 239 . 1 1 27 27 VAL CB C 13 32.08 0.25 . 1 . . . . . . . . 5506 1 240 . 1 1 27 27 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 5506 1 241 . 1 1 27 27 VAL CG1 C 13 23.07 0.25 . 1 . . . . . . . . 5506 1 242 . 1 1 27 27 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 243 . 1 1 27 27 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 244 . 1 1 27 27 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 245 . 1 1 27 27 VAL CG2 C 13 21.36 0.25 . 1 . . . . . . . . 5506 1 246 . 1 1 27 27 VAL HG21 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 247 . 1 1 27 27 VAL HG22 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 248 . 1 1 27 27 VAL HG23 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 249 . 1 1 28 28 GLY N N 15 117.40 0.1 . 1 . . . . . . . . 5506 1 250 . 1 1 28 28 GLY H H 1 8.95 0.02 . 1 . . . . . . . . 5506 1 251 . 1 1 28 28 GLY HA2 H 1 4.40 0.02 . 1 . . . . . . . . 5506 1 252 . 1 1 28 28 GLY HA3 H 1 4.40 0.02 . 1 . . . . . . . . 5506 1 253 . 1 1 29 29 THR H H 1 8.25 0.02 . 1 . . . . . . . . 5506 1 254 . 1 1 29 29 THR CA C 13 65.85 0.25 . 1 . . . . . . . . 5506 1 255 . 1 1 29 29 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 5506 1 256 . 1 1 29 29 THR CB C 13 69.93 0.25 . 1 . . . . . . . . 5506 1 257 . 1 1 29 29 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 5506 1 258 . 1 1 29 29 THR CG2 C 13 23.06 0.25 . 1 . . . . . . . . 5506 1 259 . 1 1 29 29 THR HG21 H 1 1.57 0.02 . 1 . . . . . . . . 5506 1 260 . 1 1 29 29 THR HG22 H 1 1.57 0.02 . 1 . . . . . . . . 5506 1 261 . 1 1 29 29 THR HG23 H 1 1.57 0.02 . 1 . . . . . . . . 5506 1 262 . 1 1 30 30 VAL N N 15 128.02 0.1 . 1 . . . . . . . . 5506 1 263 . 1 1 30 30 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 5506 1 264 . 1 1 30 30 VAL CA C 13 60.94 0.25 . 1 . . . . . . . . 5506 1 265 . 1 1 30 30 VAL HA H 1 5.24 0.02 . 1 . . . . . . . . 5506 1 266 . 1 1 30 30 VAL CB C 13 34.35 0.25 . 1 . . . . . . . . 5506 1 267 . 1 1 30 30 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 268 . 1 1 30 30 VAL CG1 C 13 22.27 0.25 . 1 . . . . . . . . 5506 1 269 . 1 1 30 30 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 270 . 1 1 30 30 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 271 . 1 1 30 30 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 272 . 1 1 30 30 VAL CG2 C 13 21.40 0.25 . 1 . . . . . . . . 5506 1 273 . 1 1 30 30 VAL HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 274 . 1 1 30 30 VAL HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 275 . 1 1 30 30 VAL HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 276 . 1 1 31 31 VAL N N 15 118.83 0.1 . 1 . . . . . . . . 5506 1 277 . 1 1 31 31 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 5506 1 278 . 1 1 31 31 VAL CA C 13 58.71 0.25 . 1 . . . . . . . . 5506 1 279 . 1 1 31 31 VAL HA H 1 3.44 0.02 . 1 . . . . . . . . 5506 1 280 . 1 1 31 31 VAL CB C 13 34.23 0.25 . 1 . . . . . . . . 5506 1 281 . 1 1 31 31 VAL HB H 1 1.06 0.02 . 1 . . . . . . . . 5506 1 282 . 1 1 31 31 VAL CG1 C 13 22.40 0.25 . 1 . . . . . . . . 5506 1 283 . 1 1 31 31 VAL HG11 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 284 . 1 1 31 31 VAL HG12 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 285 . 1 1 31 31 VAL HG13 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 286 . 1 1 31 31 VAL CG2 C 13 18.67 0.25 . 1 . . . . . . . . 5506 1 287 . 1 1 31 31 VAL HG21 H 1 0.13 0.02 . 1 . . . . . . . . 5506 1 288 . 1 1 31 31 VAL HG22 H 1 0.13 0.02 . 1 . . . . . . . . 5506 1 289 . 1 1 31 31 VAL HG23 H 1 0.13 0.02 . 1 . . . . . . . . 5506 1 290 . 1 1 32 32 GLU N N 15 119.69 0.1 . 1 . . . . . . . . 5506 1 291 . 1 1 32 32 GLU H H 1 5.58 0.02 . 1 . . . . . . . . 5506 1 292 . 1 1 32 32 GLU CA C 13 55.35 0.25 . 1 . . . . . . . . 5506 1 293 . 1 1 32 32 GLU HA H 1 5.00 0.02 . 1 . . . . . . . . 5506 1 294 . 1 1 32 32 GLU CB C 13 34.5 0.25 . 1 . . . . . . . . 5506 1 295 . 1 1 33 33 TYR H H 1 8.19 0.02 . 1 . . . . . . . . 5506 1 296 . 1 1 33 33 TYR CA C 13 57.45 0.25 . 1 . . . . . . . . 5506 1 297 . 1 1 33 33 TYR HA H 1 5.03 0.02 . 1 . . . . . . . . 5506 1 298 . 1 1 33 33 TYR CB C 13 43.25 0.25 . 1 . . . . . . . . 5506 1 299 . 1 1 33 33 TYR HB2 H 1 2.68 0.02 . 1 . . . . . . . . 5506 1 300 . 1 1 33 33 TYR HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5506 1 301 . 1 1 33 33 TYR HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5506 1 302 . 1 1 33 33 TYR HD2 H 1 6.73 0.02 . 1 . . . . . . . . 5506 1 303 . 1 1 33 33 TYR CE1 C 13 117.99 0.1 . 1 . . . . . . . . 5506 1 304 . 1 1 33 33 TYR HE1 H 1 6.54 0.02 . 1 . . . . . . . . 5506 1 305 . 1 1 33 33 TYR CE2 C 13 117.99 0.1 . 1 . . . . . . . . 5506 1 306 . 1 1 33 33 TYR HE2 H 1 6.54 0.02 . 1 . . . . . . . . 5506 1 307 . 1 1 34 34 GLU N N 15 117.80 0.1 . 1 . . . . . . . . 5506 1 308 . 1 1 34 34 GLU H H 1 9.34 0.02 . 1 . . . . . . . . 5506 1 309 . 1 1 34 34 GLU CA C 13 53.63 0.25 . 1 . . . . . . . . 5506 1 310 . 1 1 34 34 GLU HA H 1 4.84 0.02 . 1 . . . . . . . . 5506 1 311 . 1 1 34 34 GLU CB C 13 33.44 0.25 . 1 . . . . . . . . 5506 1 312 . 1 1 34 34 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5506 1 313 . 1 1 34 34 GLU HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5506 1 314 . 1 1 34 34 GLU CG C 13 35.01 0.25 . 1 . . . . . . . . 5506 1 315 . 1 1 34 34 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5506 1 316 . 1 1 35 35 CYS N N 15 121.00 0.1 . 1 . . . . . . . . 5506 1 317 . 1 1 35 35 CYS H H 1 8.90 0.02 . 1 . . . . . . . . 5506 1 318 . 1 1 35 35 CYS CA C 13 53.81 0.25 . 1 . . . . . . . . 5506 1 319 . 1 1 35 35 CYS HA H 1 5.00 0.02 . 1 . . . . . . . . 5506 1 320 . 1 1 35 35 CYS CB C 13 36.73 0.25 . 1 . . . . . . . . 5506 1 321 . 1 1 35 35 CYS HB2 H 1 2.69 0.02 . 1 . . . . . . . . 5506 1 322 . 1 1 35 35 CYS HB3 H 1 3.11 0.02 . 1 . . . . . . . . 5506 1 323 . 1 1 36 36 ARG N N 15 125.12 0.1 . 1 . . . . . . . . 5506 1 324 . 1 1 36 36 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 5506 1 325 . 1 1 36 36 ARG HA H 1 4.46 0.02 . 1 . . . . . . . . 5506 1 326 . 1 1 36 36 ARG HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5506 1 327 . 1 1 37 37 PRO CA C 13 64.44 0.25 . 1 . . . . . . . . 5506 1 328 . 1 1 37 37 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 5506 1 329 . 1 1 37 37 PRO CD C 13 50.5 0.25 . 1 . . . . . . . . 5506 1 330 . 1 1 37 37 PRO CB C 13 32.1 0.25 . 1 . . . . . . . . 5506 1 331 . 1 1 37 37 PRO CG C 13 28.17 0.25 . 1 . . . . . . . . 5506 1 332 . 1 1 38 38 GLY N N 15 112.00 0.1 . 1 . . . . . . . . 5506 1 333 . 1 1 38 38 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 5506 1 334 . 1 1 38 38 GLY CA C 13 44.20 0.25 . 1 . . . . . . . . 5506 1 335 . 1 1 38 38 GLY HA2 H 1 2.26 0.02 . 1 . . . . . . . . 5506 1 336 . 1 1 38 38 GLY HA3 H 1 2.98 0.02 . 1 . . . . . . . . 5506 1 337 . 1 1 39 39 TYR N N 15 118.14 0.1 . 1 . . . . . . . . 5506 1 338 . 1 1 39 39 TYR H H 1 8.00 0.02 . 1 . . . . . . . . 5506 1 339 . 1 1 39 39 TYR CA C 13 56.86 0.25 . 1 . . . . . . . . 5506 1 340 . 1 1 39 39 TYR HA H 1 5.06 0.02 . 1 . . . . . . . . 5506 1 341 . 1 1 39 39 TYR CB C 13 41.37 0.25 . 1 . . . . . . . . 5506 1 342 . 1 1 39 39 TYR HB2 H 1 2.58 0.02 . 1 . . . . . . . . 5506 1 343 . 1 1 39 39 TYR HB3 H 1 3.35 0.02 . 1 . . . . . . . . 5506 1 344 . 1 1 39 39 TYR HD1 H 1 6.63 0.02 . 1 . . . . . . . . 5506 1 345 . 1 1 39 39 TYR HD2 H 1 6.63 0.02 . 1 . . . . . . . . 5506 1 346 . 1 1 39 39 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 347 . 1 1 39 39 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 348 . 1 1 40 40 ARG N N 15 118.95 0.1 . 1 . . . . . . . . 5506 1 349 . 1 1 40 40 ARG H H 1 9.84 0.02 . 1 . . . . . . . . 5506 1 350 . 1 1 40 40 ARG CA C 13 53.53 0.25 . 1 . . . . . . . . 5506 1 351 . 1 1 40 40 ARG HA H 1 4.93 0.02 . 1 . . . . . . . . 5506 1 352 . 1 1 40 40 ARG CB C 13 33.95 0.25 . 1 . . . . . . . . 5506 1 353 . 1 1 40 40 ARG HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5506 1 354 . 1 1 40 40 ARG HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5506 1 355 . 1 1 40 40 ARG CG C 13 28.91 0.25 . 1 . . . . . . . . 5506 1 356 . 1 1 40 40 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5506 1 357 . 1 1 40 40 ARG CD C 13 43.87 0.25 . 1 . . . . . . . . 5506 1 358 . 1 1 40 40 ARG HD2 H 1 3.13 0.02 . 1 . . . . . . . . 5506 1 359 . 1 1 40 40 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5506 1 360 . 1 1 41 41 ARG N N 15 125.77 0.1 . 1 . . . . . . . . 5506 1 361 . 1 1 41 41 ARG H H 1 8.83 0.02 . 1 . . . . . . . . 5506 1 362 . 1 1 41 41 ARG CA C 13 56.41 0.25 . 1 . . . . . . . . 5506 1 363 . 1 1 41 41 ARG HA H 1 4.61 0.02 . 1 . . . . . . . . 5506 1 364 . 1 1 41 41 ARG CB C 13 30.84 0.25 . 1 . . . . . . . . 5506 1 365 . 1 1 41 41 ARG HB2 H 1 1.69 0.02 . 1 . . . . . . . . 5506 1 366 . 1 1 41 41 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5506 1 367 . 1 1 41 41 ARG CG C 13 27.90 0.25 . 1 . . . . . . . . 5506 1 368 . 1 1 41 41 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 5506 1 369 . 1 1 41 41 ARG HG3 H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 370 . 1 1 41 41 ARG CD C 13 42.80 0.25 . 1 . . . . . . . . 5506 1 371 . 1 1 41 41 ARG HD2 H 1 3.31 0.02 . 1 . . . . . . . . 5506 1 372 . 1 1 41 41 ARG HH11 H 1 7.04 0.02 . 1 . . . . . . . . 5506 1 373 . 1 1 41 41 ARG HH12 H 1 7.04 0.02 . 1 . . . . . . . . 5506 1 374 . 1 1 41 41 ARG HH21 H 1 6.83 0.02 . 1 . . . . . . . . 5506 1 375 . 1 1 41 41 ARG HH22 H 1 6.83 0.02 . 1 . . . . . . . . 5506 1 376 . 1 1 42 42 GLU N N 15 128.12 0.1 . 1 . . . . . . . . 5506 1 377 . 1 1 42 42 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5506 1 378 . 1 1 42 42 GLU CA C 13 52.6 0.25 . 1 . . . . . . . . 5506 1 379 . 1 1 42 42 GLU HA H 1 4.99 0.02 . 1 . . . . . . . . 5506 1 380 . 1 1 42 42 GLU CB C 13 30.5 0.25 . 1 . . . . . . . . 5506 1 381 . 1 1 42 42 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 382 . 1 1 42 42 GLU CG C 13 36.3 0.25 . 1 . . . . . . . . 5506 1 383 . 1 1 43 43 PRO CA C 13 65.42 0.25 . 1 . . . . . . . . 5506 1 384 . 1 1 43 43 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . 5506 1 385 . 1 1 43 43 PRO CD C 13 51.90 0.25 . 1 . . . . . . . . 5506 1 386 . 1 1 43 43 PRO HD2 H 1 3.06 0.02 . 1 . . . . . . . . 5506 1 387 . 1 1 43 43 PRO CB C 13 32.65 0.25 . 1 . . . . . . . . 5506 1 388 . 1 1 43 43 PRO HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5506 1 389 . 1 1 43 43 PRO HB3 H 1 2.39 0.02 . 1 . . . . . . . . 5506 1 390 . 1 1 43 43 PRO CG C 13 27.84 0.25 . 1 . . . . . . . . 5506 1 391 . 1 1 44 44 SER N N 15 112.49 0.1 . 1 . . . . . . . . 5506 1 392 . 1 1 44 44 SER H H 1 8.23 0.02 . 1 . . . . . . . . 5506 1 393 . 1 1 44 44 SER CA C 13 59.91 0.25 . 1 . . . . . . . . 5506 1 394 . 1 1 44 44 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 5506 1 395 . 1 1 44 44 SER CB C 13 63.60 0.25 . 1 . . . . . . . . 5506 1 396 . 1 1 44 44 SER HB2 H 1 4.06 0.02 . 1 . . . . . . . . 5506 1 397 . 1 1 44 44 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 5506 1 398 . 1 1 45 45 LEU N N 15 123.87 0.1 . 1 . . . . . . . . 5506 1 399 . 1 1 45 45 LEU H H 1 7.70 0.02 . 1 . . . . . . . . 5506 1 400 . 1 1 45 45 LEU CA C 13 53.66 0.25 . 1 . . . . . . . . 5506 1 401 . 1 1 45 45 LEU HA H 1 4.78 0.02 . 1 . . . . . . . . 5506 1 402 . 1 1 45 45 LEU CB C 13 44.80 0.25 . 1 . . . . . . . . 5506 1 403 . 1 1 45 45 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5506 1 404 . 1 1 45 45 LEU HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5506 1 405 . 1 1 45 45 LEU CG C 13 26.9 0.25 . 1 . . . . . . . . 5506 1 406 . 1 1 45 45 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5506 1 407 . 1 1 45 45 LEU CD1 C 13 26.50 0.25 . 1 . . . . . . . . 5506 1 408 . 1 1 45 45 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 409 . 1 1 45 45 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 410 . 1 1 45 45 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 411 . 1 1 45 45 LEU CD2 C 13 23.63 0.25 . 1 . . . . . . . . 5506 1 412 . 1 1 45 45 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 413 . 1 1 45 45 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 414 . 1 1 45 45 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 5506 1 415 . 1 1 46 46 SER N N 15 118.70 0.1 . 1 . . . . . . . . 5506 1 416 . 1 1 46 46 SER H H 1 8.39 0.02 . 1 . . . . . . . . 5506 1 417 . 1 1 46 46 SER CA C 13 56.42 0.25 . 1 . . . . . . . . 5506 1 418 . 1 1 46 46 SER HA H 1 4.72 0.02 . 1 . . . . . . . . 5506 1 419 . 1 1 46 46 SER CB C 13 64.5 0.25 . 1 . . . . . . . . 5506 1 420 . 1 1 46 46 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 5506 1 421 . 1 1 46 46 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 5506 1 422 . 1 1 47 47 PRO CA C 13 61.58 0.25 . 1 . . . . . . . . 5506 1 423 . 1 1 47 47 PRO HA H 1 2.70 0.02 . 1 . . . . . . . . 5506 1 424 . 1 1 47 47 PRO CD C 13 51.4 0.25 . 1 . . . . . . . . 5506 1 425 . 1 1 47 47 PRO HD2 H 1 3.55 0.02 . 1 . . . . . . . . 5506 1 426 . 1 1 47 47 PRO HD3 H 1 3.68 0.02 . 1 . . . . . . . . 5506 1 427 . 1 1 47 47 PRO CB C 13 30.01 0.25 . 1 . . . . . . . . 5506 1 428 . 1 1 47 47 PRO HB2 H 1 2.21 0.02 . 1 . . . . . . . . 5506 1 429 . 1 1 47 47 PRO HB3 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 430 . 1 1 47 47 PRO CG C 13 27.8 0.25 . 1 . . . . . . . . 5506 1 431 . 1 1 47 47 PRO HG2 H 1 1.86 0.02 . 1 . . . . . . . . 5506 1 432 . 1 1 47 47 PRO HG3 H 1 1.75 0.02 . 1 . . . . . . . . 5506 1 433 . 1 1 48 48 LYS N N 15 120.19 0.1 . 1 . . . . . . . . 5506 1 434 . 1 1 48 48 LYS H H 1 7.25 0.02 . 1 . . . . . . . . 5506 1 435 . 1 1 48 48 LYS CA C 13 55.2 0.25 . 1 . . . . . . . . 5506 1 436 . 1 1 48 48 LYS HA H 1 5.32 0.02 . 1 . . . . . . . . 5506 1 437 . 1 1 48 48 LYS CB C 13 36.7 0.25 . 1 . . . . . . . . 5506 1 438 . 1 1 49 49 LEU N N 15 122.04 0.1 . 1 . . . . . . . . 5506 1 439 . 1 1 49 49 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5506 1 440 . 1 1 49 49 LEU CA C 13 54.27 0.25 . 1 . . . . . . . . 5506 1 441 . 1 1 49 49 LEU HA H 1 4.63 0.02 . 1 . . . . . . . . 5506 1 442 . 1 1 49 49 LEU CB C 13 47.44 0.25 . 1 . . . . . . . . 5506 1 443 . 1 1 49 49 LEU HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5506 1 444 . 1 1 49 49 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5506 1 445 . 1 1 49 49 LEU CG C 13 28.11 0.25 . 1 . . . . . . . . 5506 1 446 . 1 1 49 49 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 5506 1 447 . 1 1 49 49 LEU CD1 C 13 25.90 0.25 . 1 . . . . . . . . 5506 1 448 . 1 1 49 49 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 449 . 1 1 49 49 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 450 . 1 1 49 49 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 451 . 1 1 49 49 LEU CD2 C 13 23.87 0.25 . 1 . . . . . . . . 5506 1 452 . 1 1 49 49 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5506 1 453 . 1 1 49 49 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5506 1 454 . 1 1 49 49 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5506 1 455 . 1 1 50 50 THR N N 15 117.86 0.1 . 1 . . . . . . . . 5506 1 456 . 1 1 50 50 THR H H 1 8.64 0.02 . 1 . . . . . . . . 5506 1 457 . 1 1 50 50 THR CA C 13 61.78 0.25 . 1 . . . . . . . . 5506 1 458 . 1 1 50 50 THR HA H 1 5.50 0.02 . 1 . . . . . . . . 5506 1 459 . 1 1 50 50 THR CB C 13 72.10 0.25 . 1 . . . . . . . . 5506 1 460 . 1 1 50 50 THR HB H 1 3.77 0.02 . 1 . . . . . . . . 5506 1 461 . 1 1 50 50 THR CG2 C 13 21.29 0.25 . 1 . . . . . . . . 5506 1 462 . 1 1 50 50 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 463 . 1 1 50 50 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 464 . 1 1 50 50 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 465 . 1 1 51 51 CYS N N 15 128.49 0.1 . 1 . . . . . . . . 5506 1 466 . 1 1 51 51 CYS H H 1 8.58 0.02 . 1 . . . . . . . . 5506 1 467 . 1 1 51 51 CYS CA C 13 55.60 0.25 . 1 . . . . . . . . 5506 1 468 . 1 1 51 51 CYS HA H 1 3.75 0.02 . 1 . . . . . . . . 5506 1 469 . 1 1 51 51 CYS CB C 13 38.35 0.25 . 1 . . . . . . . . 5506 1 470 . 1 1 51 51 CYS HB2 H 1 2.37 0.02 . 1 . . . . . . . . 5506 1 471 . 1 1 51 51 CYS HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5506 1 472 . 1 1 52 52 LEU N N 15 112.98 0.1 . 1 . . . . . . . . 5506 1 473 . 1 1 52 52 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5506 1 474 . 1 1 52 52 LEU CA C 13 54.90 0.25 . 1 . . . . . . . . 5506 1 475 . 1 1 52 52 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 5506 1 476 . 1 1 52 52 LEU CB C 13 42.58 0.25 . 1 . . . . . . . . 5506 1 477 . 1 1 52 52 LEU HB2 H 1 2.39 0.02 . 1 . . . . . . . . 5506 1 478 . 1 1 52 52 LEU HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5506 1 479 . 1 1 52 52 LEU CG C 13 26.27 0.25 . 1 . . . . . . . . 5506 1 480 . 1 1 52 52 LEU CD1 C 13 25.88 0.25 . 1 . . . . . . . . 5506 1 481 . 1 1 52 52 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5506 1 482 . 1 1 52 52 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5506 1 483 . 1 1 52 52 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5506 1 484 . 1 1 52 52 LEU CD2 C 13 22.45 0.25 . 1 . . . . . . . . 5506 1 485 . 1 1 52 52 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 5506 1 486 . 1 1 52 52 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 5506 1 487 . 1 1 52 52 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 5506 1 488 . 1 1 53 53 GLN N N 15 117.41 0.1 . 1 . . . . . . . . 5506 1 489 . 1 1 53 53 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 5506 1 490 . 1 1 53 53 GLN CA C 13 58.77 0.25 . 1 . . . . . . . . 5506 1 491 . 1 1 53 53 GLN HA H 1 3.95 0.02 . 1 . . . . . . . . 5506 1 492 . 1 1 53 53 GLN CB C 13 28.54 0.25 . 1 . . . . . . . . 5506 1 493 . 1 1 53 53 GLN HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5506 1 494 . 1 1 53 53 GLN HB3 H 1 2.42 0.02 . 1 . . . . . . . . 5506 1 495 . 1 1 54 54 ASN N N 15 115.89 0.1 . 1 . . . . . . . . 5506 1 496 . 1 1 54 54 ASN H H 1 7.65 0.02 . 1 . . . . . . . . 5506 1 497 . 1 1 54 54 ASN CA C 13 52.49 0.25 . 1 . . . . . . . . 5506 1 498 . 1 1 54 54 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 5506 1 499 . 1 1 54 54 ASN CB C 13 36.58 0.25 . 1 . . . . . . . . 5506 1 500 . 1 1 54 54 ASN HB2 H 1 3.12 0.02 . 1 . . . . . . . . 5506 1 501 . 1 1 54 54 ASN HB3 H 1 2.65 0.02 . 1 . . . . . . . . 5506 1 502 . 1 1 54 54 ASN HD21 H 1 6.59 0.02 . 1 . . . . . . . . 5506 1 503 . 1 1 54 54 ASN HD22 H 1 7.19 0.02 . 1 . . . . . . . . 5506 1 504 . 1 1 55 55 LEU N N 15 115.24 0.1 . 1 . . . . . . . . 5506 1 505 . 1 1 55 55 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5506 1 506 . 1 1 55 55 LEU CA C 13 56.47 0.25 . 1 . . . . . . . . 5506 1 507 . 1 1 55 55 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 5506 1 508 . 1 1 55 55 LEU CB C 13 36.91 0.25 . 1 . . . . . . . . 5506 1 509 . 1 1 55 55 LEU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5506 1 510 . 1 1 55 55 LEU HB3 H 1 1.47 0.02 . 1 . . . . . . . . 5506 1 511 . 1 1 55 55 LEU CG C 13 27.31 0.25 . 1 . . . . . . . . 5506 1 512 . 1 1 55 55 LEU HG H 1 1.31 0.02 . 1 . . . . . . . . 5506 1 513 . 1 1 55 55 LEU CD1 C 13 25.79 0.25 . 1 . . . . . . . . 5506 1 514 . 1 1 55 55 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 515 . 1 1 55 55 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 516 . 1 1 55 55 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 517 . 1 1 55 55 LEU CD2 C 13 23.16 0.25 . 1 . . . . . . . . 5506 1 518 . 1 1 55 55 LEU HD21 H 1 0.52 0.02 . 1 . . . . . . . . 5506 1 519 . 1 1 55 55 LEU HD22 H 1 0.52 0.02 . 1 . . . . . . . . 5506 1 520 . 1 1 55 55 LEU HD23 H 1 0.52 0.02 . 1 . . . . . . . . 5506 1 521 . 1 1 56 56 LYS N N 15 119.31 0.1 . 1 . . . . . . . . 5506 1 522 . 1 1 56 56 LYS H H 1 7.04 0.02 . 1 . . . . . . . . 5506 1 523 . 1 1 56 56 LYS CA C 13 53.72 0.25 . 1 . . . . . . . . 5506 1 524 . 1 1 56 56 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 5506 1 525 . 1 1 56 56 LYS CB C 13 34.81 0.25 . 1 . . . . . . . . 5506 1 526 . 1 1 56 56 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5506 1 527 . 1 1 56 56 LYS HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5506 1 528 . 1 1 56 56 LYS CG C 13 25.55 0.25 . 1 . . . . . . . . 5506 1 529 . 1 1 56 56 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 530 . 1 1 56 56 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 531 . 1 1 56 56 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5506 1 532 . 1 1 56 56 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5506 1 533 . 1 1 56 56 LYS CE C 13 42.95 0.25 . 1 . . . . . . . . 5506 1 534 . 1 1 56 56 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5506 1 535 . 1 1 57 57 TRP N N 15 121.63 0.1 . 1 . . . . . . . . 5506 1 536 . 1 1 57 57 TRP H H 1 7.96 0.02 . 1 . . . . . . . . 5506 1 537 . 1 1 57 57 TRP CA C 13 57.41 0.25 . 1 . . . . . . . . 5506 1 538 . 1 1 57 57 TRP HA H 1 4.93 0.02 . 1 . . . . . . . . 5506 1 539 . 1 1 57 57 TRP CB C 13 31.30 0.25 . 1 . . . . . . . . 5506 1 540 . 1 1 57 57 TRP HB2 H 1 2.96 0.02 . 1 . . . . . . . . 5506 1 541 . 1 1 57 57 TRP HB3 H 1 3.43 0.02 . 1 . . . . . . . . 5506 1 542 . 1 1 57 57 TRP CD1 C 13 125.99 0.1 . 1 . . . . . . . . 5506 1 543 . 1 1 57 57 TRP HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5506 1 544 . 1 1 57 57 TRP HE1 H 1 9.99 0.02 . 1 . . . . . . . . 5506 1 545 . 1 1 57 57 TRP HE3 H 1 8.62 0.02 . 1 . . . . . . . . 5506 1 546 . 1 1 57 57 TRP CZ2 C 13 113.55 0.1 . 1 . . . . . . . . 5506 1 547 . 1 1 57 57 TRP HZ2 H 1 6.69 0.02 . 1 . . . . . . . . 5506 1 548 . 1 1 57 57 TRP HZ3 H 1 7.16 0.02 . 1 . . . . . . . . 5506 1 549 . 1 1 57 57 TRP HH2 H 1 7.24 0.02 . 1 . . . . . . . . 5506 1 550 . 1 1 58 58 SER N N 15 118.78 0.1 . 1 . . . . . . . . 5506 1 551 . 1 1 58 58 SER H H 1 9.04 0.02 . 1 . . . . . . . . 5506 1 552 . 1 1 58 58 SER CA C 13 59.17 0.25 . 1 . . . . . . . . 5506 1 553 . 1 1 58 58 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5506 1 554 . 1 1 58 58 SER CB C 13 63.97 0.25 . 1 . . . . . . . . 5506 1 555 . 1 1 58 58 SER HB2 H 1 4.37 0.02 . 1 . . . . . . . . 5506 1 556 . 1 1 58 58 SER HB3 H 1 4.10 0.02 . 1 . . . . . . . . 5506 1 557 . 1 1 59 59 THR N N 15 115.92 0.1 . 1 . . . . . . . . 5506 1 558 . 1 1 59 59 THR H H 1 8.05 0.02 . 1 . . . . . . . . 5506 1 559 . 1 1 59 59 THR CA C 13 64.47 0.25 . 1 . . . . . . . . 5506 1 560 . 1 1 59 59 THR HA H 1 4.05 0.02 . 1 . . . . . . . . 5506 1 561 . 1 1 59 59 THR CB C 13 69.93 0.25 . 1 . . . . . . . . 5506 1 562 . 1 1 59 59 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 5506 1 563 . 1 1 59 59 THR CG2 C 13 22.48 0.25 . 1 . . . . . . . . 5506 1 564 . 1 1 59 59 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 565 . 1 1 59 59 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 566 . 1 1 59 59 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 567 . 1 1 60 60 ALA N N 15 131.91 0.1 . 1 . . . . . . . . 5506 1 568 . 1 1 60 60 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 5506 1 569 . 1 1 60 60 ALA CA C 13 52.14 0.25 . 1 . . . . . . . . 5506 1 570 . 1 1 60 60 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 5506 1 571 . 1 1 60 60 ALA CB C 13 19.91 0.25 . 1 . . . . . . . . 5506 1 572 . 1 1 60 60 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5506 1 573 . 1 1 60 60 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5506 1 574 . 1 1 60 60 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5506 1 575 . 1 1 61 61 VAL N N 15 117.64 0.1 . 1 . . . . . . . . 5506 1 576 . 1 1 61 61 VAL H H 1 7.19 0.02 . 1 . . . . . . . . 5506 1 577 . 1 1 61 61 VAL CA C 13 59.82 0.25 . 1 . . . . . . . . 5506 1 578 . 1 1 61 61 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 5506 1 579 . 1 1 61 61 VAL CB C 13 33.75 0.25 . 1 . . . . . . . . 5506 1 580 . 1 1 61 61 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . 5506 1 581 . 1 1 61 61 VAL CG1 C 13 21.96 0.25 . 1 . . . . . . . . 5506 1 582 . 1 1 61 61 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 583 . 1 1 61 61 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 584 . 1 1 61 61 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 5506 1 585 . 1 1 61 61 VAL CG2 C 13 20.02 0.25 . 1 . . . . . . . . 5506 1 586 . 1 1 61 61 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 587 . 1 1 61 61 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 588 . 1 1 61 61 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 589 . 1 1 62 62 GLU N N 15 121.93 0.1 . 1 . . . . . . . . 5506 1 590 . 1 1 62 62 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5506 1 591 . 1 1 62 62 GLU CA C 13 56.13 0.25 . 1 . . . . . . . . 5506 1 592 . 1 1 62 62 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5506 1 593 . 1 1 62 62 GLU CB C 13 27.90 0.25 . 1 . . . . . . . . 5506 1 594 . 1 1 62 62 GLU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5506 1 595 . 1 1 62 62 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5506 1 596 . 1 1 62 62 GLU CG C 13 35.90 0.25 . 1 . . . . . . . . 5506 1 597 . 1 1 62 62 GLU HG2 H 1 2.13 0.02 . 1 . . . . . . . . 5506 1 598 . 1 1 62 62 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5506 1 599 . 1 1 63 63 PHE N N 15 120.19 0.1 . 1 . . . . . . . . 5506 1 600 . 1 1 63 63 PHE H H 1 6.82 0.02 . 1 . . . . . . . . 5506 1 601 . 1 1 63 63 PHE CA C 13 58.31 0.25 . 1 . . . . . . . . 5506 1 602 . 1 1 63 63 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 5506 1 603 . 1 1 63 63 PHE CB C 13 39.33 0.25 . 1 . . . . . . . . 5506 1 604 . 1 1 63 63 PHE HB2 H 1 2.75 0.02 . 1 . . . . . . . . 5506 1 605 . 1 1 63 63 PHE HB3 H 1 2.81 0.02 . 1 . . . . . . . . 5506 1 606 . 1 1 63 63 PHE CD1 C 13 130.88 0.1 . 1 . . . . . . . . 5506 1 607 . 1 1 63 63 PHE HD1 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 608 . 1 1 63 63 PHE CD2 C 13 130.88 0.1 . 1 . . . . . . . . 5506 1 609 . 1 1 63 63 PHE HD2 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 610 . 1 1 63 63 PHE HE1 H 1 7.04 0.02 . 1 . . . . . . . . 5506 1 611 . 1 1 63 63 PHE HZ H 1 6.44 0.02 . 1 . . . . . . . . 5506 1 612 . 1 1 64 64 CYS N N 15 120.95 0.1 . 1 . . . . . . . . 5506 1 613 . 1 1 64 64 CYS H H 1 7.66 0.02 . 1 . . . . . . . . 5506 1 614 . 1 1 64 64 CYS CA C 13 55.48 0.25 . 1 . . . . . . . . 5506 1 615 . 1 1 64 64 CYS HA H 1 5.48 0.02 . 1 . . . . . . . . 5506 1 616 . 1 1 64 64 CYS CB C 13 46.01 0.25 . 1 . . . . . . . . 5506 1 617 . 1 1 64 64 CYS HB2 H 1 2.76 0.02 . 1 . . . . . . . . 5506 1 618 . 1 1 64 64 CYS HB3 H 1 2.85 0.02 . 1 . . . . . . . . 5506 1 619 . 1 1 65 65 LYS N N 15 122.67 0.1 . 1 . . . . . . . . 5506 1 620 . 1 1 65 65 LYS H H 1 9.34 0.02 . 1 . . . . . . . . 5506 1 621 . 1 1 65 65 LYS CA C 13 54.32 0.25 . 1 . . . . . . . . 5506 1 622 . 1 1 65 65 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 5506 1 623 . 1 1 65 65 LYS CB C 13 36.45 0.25 . 1 . . . . . . . . 5506 1 624 . 1 1 65 65 LYS HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5506 1 625 . 1 1 65 65 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5506 1 626 . 1 1 65 65 LYS CG C 13 25.19 0.25 . 1 . . . . . . . . 5506 1 627 . 1 1 65 65 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5506 1 628 . 1 1 65 65 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5506 1 629 . 1 1 65 65 LYS CD C 13 29.67 0.25 . 1 . . . . . . . . 5506 1 630 . 1 1 65 65 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 5506 1 631 . 1 1 65 65 LYS CE C 13 42.60 0.25 . 1 . . . . . . . . 5506 1 632 . 1 1 65 65 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5506 1 633 . 1 1 65 65 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5506 1 634 . 1 1 65 65 LYS HZ1 H 1 7.5 0.02 . 1 . . . . . . . . 5506 1 635 . 1 1 65 65 LYS HZ2 H 1 7.5 0.02 . 1 . . . . . . . . 5506 1 636 . 1 1 65 65 LYS HZ3 H 1 7.5 0.02 . 1 . . . . . . . . 5506 1 637 . 1 1 66 66 LYS N N 15 124.34 0.1 . 1 . . . . . . . . 5506 1 638 . 1 1 66 66 LYS H H 1 8.92 0.02 . 1 . . . . . . . . 5506 1 639 . 1 1 66 66 LYS CA C 13 59.13 0.25 . 1 . . . . . . . . 5506 1 640 . 1 1 66 66 LYS HA H 1 3.55 0.02 . 1 . . . . . . . . 5506 1 641 . 1 1 66 66 LYS CB C 13 35.77 0.25 . 1 . . . . . . . . 5506 1 642 . 1 1 66 66 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5506 1 643 . 1 1 66 66 LYS HB3 H 1 1.23 0.02 . 1 . . . . . . . . 5506 1 644 . 1 1 66 66 LYS HD2 H 1 0.80 0.02 . 1 . . . . . . . . 5506 1 645 . 1 1 66 66 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 5506 1 646 . 1 1 66 66 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 5506 1 647 . 1 1 67 67 LYS N N 15 122.25 0.1 . 1 . . . . . . . . 5506 1 648 . 1 1 67 67 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 5506 1 649 . 1 1 67 67 LYS CA C 13 57.25 0.25 . 1 . . . . . . . . 5506 1 650 . 1 1 67 67 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 5506 1 651 . 1 1 67 67 LYS CB C 13 30.04 0.25 . 1 . . . . . . . . 5506 1 652 . 1 1 67 67 LYS HB2 H 1 1.19 0.02 . 1 . . . . . . . . 5506 1 653 . 1 1 67 67 LYS HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5506 1 654 . 1 1 67 67 LYS HG2 H 1 1.23 0.02 . 1 . . . . . . . . 5506 1 655 . 1 1 67 67 LYS HD2 H 1 2.79 0.02 . 1 . . . . . . . . 5506 1 656 . 1 1 67 67 LYS CE C 13 40.6 0.25 . 1 . . . . . . . . 5506 1 657 . 1 1 67 67 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 5506 1 658 . 1 1 67 67 LYS HE3 H 1 2.33 0.02 . 1 . . . . . . . . 5506 1 659 . 1 1 68 68 SER N N 15 122.56 0.1 . 1 . . . . . . . . 5506 1 660 . 1 1 68 68 SER H H 1 9.99 0.02 . 1 . . . . . . . . 5506 1 661 . 1 1 68 68 SER CA C 13 61.37 0.25 . 1 . . . . . . . . 5506 1 662 . 1 1 68 68 SER HA H 1 4.67 0.02 . 1 . . . . . . . . 5506 1 663 . 1 1 68 68 SER CB C 13 63.87 0.25 . 1 . . . . . . . . 5506 1 664 . 1 1 68 68 SER HB2 H 1 3.69 0.02 . 1 . . . . . . . . 5506 1 665 . 1 1 68 68 SER HB3 H 1 3.51 0.02 . 1 . . . . . . . . 5506 1 666 . 1 1 69 69 CYS N N 15 122.76 0.1 . 1 . . . . . . . . 5506 1 667 . 1 1 69 69 CYS H H 1 8.07 0.02 . 1 . . . . . . . . 5506 1 668 . 1 1 69 69 CYS CA C 13 51.70 0.25 . 1 . . . . . . . . 5506 1 669 . 1 1 69 69 CYS HA H 1 4.26 0.02 . 1 . . . . . . . . 5506 1 670 . 1 1 69 69 CYS CB C 13 43.4 0.25 . 1 . . . . . . . . 5506 1 671 . 1 1 69 69 CYS HB2 H 1 2.48 0.02 . 1 . . . . . . . . 5506 1 672 . 1 1 69 69 CYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5506 1 673 . 1 1 70 70 PRO CD C 13 50.5 0.25 . 1 . . . . . . . . 5506 1 674 . 1 1 70 70 PRO HD2 H 1 3.00 0.02 . 1 . . . . . . . . 5506 1 675 . 1 1 70 70 PRO HD3 H 1 2.78 0.02 . 1 . . . . . . . . 5506 1 676 . 1 1 71 71 ASN HA H 1 4.02 0.02 . 1 . . . . . . . . 5506 1 677 . 1 1 72 72 PRO CA C 13 64.30 0.25 . 1 . . . . . . . . 5506 1 678 . 1 1 72 72 PRO HA H 1 4.14 0.02 . 1 . . . . . . . . 5506 1 679 . 1 1 72 72 PRO CD C 13 51.22 0.25 . 1 . . . . . . . . 5506 1 680 . 1 1 72 72 PRO HD2 H 1 3.56 0.02 . 1 . . . . . . . . 5506 1 681 . 1 1 72 72 PRO HD3 H 1 3.65 0.02 . 1 . . . . . . . . 5506 1 682 . 1 1 72 72 PRO CB C 13 32.20 0.25 . 1 . . . . . . . . 5506 1 683 . 1 1 72 72 PRO HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5506 1 684 . 1 1 72 72 PRO HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 685 . 1 1 72 72 PRO CG C 13 25.8 0.25 . 1 . . . . . . . . 5506 1 686 . 1 1 72 72 PRO HG2 H 1 2.06 0.02 . 1 . . . . . . . . 5506 1 687 . 1 1 73 73 GLY N N 15 127.17 0.1 . 1 . . . . . . . . 5506 1 688 . 1 1 73 73 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 5506 1 689 . 1 1 73 73 GLY CA C 13 44.77 0.25 . 1 . . . . . . . . 5506 1 690 . 1 1 73 73 GLY HA2 H 1 4.15 0.02 . 1 . . . . . . . . 5506 1 691 . 1 1 73 73 GLY HA3 H 1 3.59 0.02 . 1 . . . . . . . . 5506 1 692 . 1 1 74 74 GLU N N 15 120.50 0.1 . 1 . . . . . . . . 5506 1 693 . 1 1 74 74 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 5506 1 694 . 1 1 74 74 GLU CA C 13 55.23 0.25 . 1 . . . . . . . . 5506 1 695 . 1 1 74 74 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5506 1 696 . 1 1 74 74 GLU CB C 13 33.18 0.25 . 1 . . . . . . . . 5506 1 697 . 1 1 74 74 GLU HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5506 1 698 . 1 1 74 74 GLU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 699 . 1 1 74 74 GLU HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5506 1 700 . 1 1 74 74 GLU HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5506 1 701 . 1 1 75 75 ILE N N 15 123.03 0.1 . 1 . . . . . . . . 5506 1 702 . 1 1 75 75 ILE H H 1 8.64 0.02 . 1 . . . . . . . . 5506 1 703 . 1 1 75 75 ILE CA C 13 59.98 0.25 . 1 . . . . . . . . 5506 1 704 . 1 1 75 75 ILE HA H 1 4.06 0.02 . 1 . . . . . . . . 5506 1 705 . 1 1 75 75 ILE CB C 13 41.18 0.25 . 1 . . . . . . . . 5506 1 706 . 1 1 75 75 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 5506 1 707 . 1 1 75 75 ILE CG2 C 13 18.08 0.25 . 1 . . . . . . . . 5506 1 708 . 1 1 75 75 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 5506 1 709 . 1 1 75 75 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 5506 1 710 . 1 1 75 75 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 5506 1 711 . 1 1 75 75 ILE CG1 C 13 27.66 0.25 . 1 . . . . . . . . 5506 1 712 . 1 1 75 75 ILE HG12 H 1 1.25 0.02 . 1 . . . . . . . . 5506 1 713 . 1 1 75 75 ILE HG13 H 1 1.27 0.02 . 1 . . . . . . . . 5506 1 714 . 1 1 75 75 ILE CD1 C 13 14.43 0.25 . 1 . . . . . . . . 5506 1 715 . 1 1 75 75 ILE HD11 H 1 0.48 0.02 . 1 . . . . . . . . 5506 1 716 . 1 1 75 75 ILE HD12 H 1 0.48 0.02 . 1 . . . . . . . . 5506 1 717 . 1 1 75 75 ILE HD13 H 1 0.48 0.02 . 1 . . . . . . . . 5506 1 718 . 1 1 76 76 ARG N N 15 130.95 0.1 . 1 . . . . . . . . 5506 1 719 . 1 1 76 76 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 5506 1 720 . 1 1 76 76 ARG CA C 13 57.90 0.25 . 1 . . . . . . . . 5506 1 721 . 1 1 76 76 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5506 1 722 . 1 1 76 76 ARG CB C 13 29.47 0.25 . 1 . . . . . . . . 5506 1 723 . 1 1 76 76 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5506 1 724 . 1 1 76 76 ARG CG C 13 26.40 0.25 . 1 . . . . . . . . 5506 1 725 . 1 1 76 76 ARG HG2 H 1 1.76 0.02 . 1 . . . . . . . . 5506 1 726 . 1 1 76 76 ARG HG3 H 1 1.76 0.02 . 1 . . . . . . . . 5506 1 727 . 1 1 76 76 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5506 1 728 . 1 1 76 76 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 5506 1 729 . 1 1 77 77 ASN N N 15 119.41 0.1 . 1 . . . . . . . . 5506 1 730 . 1 1 77 77 ASN H H 1 9.01 0.02 . 1 . . . . . . . . 5506 1 731 . 1 1 77 77 ASN CA C 13 56.10 0.25 . 1 . . . . . . . . 5506 1 732 . 1 1 77 77 ASN HA H 1 3.83 0.02 . 1 . . . . . . . . 5506 1 733 . 1 1 77 77 ASN CB C 13 36.36 0.25 . 1 . . . . . . . . 5506 1 734 . 1 1 77 77 ASN HB2 H 1 2.30 0.02 . 1 . . . . . . . . 5506 1 735 . 1 1 77 77 ASN HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5506 1 736 . 1 1 77 77 ASN HD21 H 1 6.74 0.02 . 1 . . . . . . . . 5506 1 737 . 1 1 77 77 ASN HD22 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 738 . 1 1 78 78 GLY N N 15 126.61 0.1 . 1 . . . . . . . . 5506 1 739 . 1 1 78 78 GLY H H 1 7.53 0.02 . 1 . . . . . . . . 5506 1 740 . 1 1 78 78 GLY CA C 13 46.61 0.25 . 1 . . . . . . . . 5506 1 741 . 1 1 78 78 GLY HA2 H 1 4.41 0.02 . 1 . . . . . . . . 5506 1 742 . 1 1 78 78 GLY HA3 H 1 4.06 0.02 . 1 . . . . . . . . 5506 1 743 . 1 1 79 79 GLN N N 15 119.33 0.1 . 1 . . . . . . . . 5506 1 744 . 1 1 79 79 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 5506 1 745 . 1 1 79 79 GLN CA C 13 55.18 0.25 . 1 . . . . . . . . 5506 1 746 . 1 1 79 79 GLN HA H 1 4.74 0.02 . 1 . . . . . . . . 5506 1 747 . 1 1 79 79 GLN CB C 13 33.88 0.25 . 1 . . . . . . . . 5506 1 748 . 1 1 79 79 GLN HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5506 1 749 . 1 1 79 79 GLN HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5506 1 750 . 1 1 79 79 GLN HG2 H 1 1.77 0.02 . 1 . . . . . . . . 5506 1 751 . 1 1 80 80 ILE N N 15 123.05 0.1 . 1 . . . . . . . . 5506 1 752 . 1 1 80 80 ILE H H 1 8.30 0.02 . 1 . . . . . . . . 5506 1 753 . 1 1 80 80 ILE CA C 13 60.81 0.25 . 1 . . . . . . . . 5506 1 754 . 1 1 80 80 ILE HA H 1 4.67 0.02 . 1 . . . . . . . . 5506 1 755 . 1 1 80 80 ILE CB C 13 40.02 0.25 . 1 . . . . . . . . 5506 1 756 . 1 1 80 80 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 5506 1 757 . 1 1 80 80 ILE CG2 C 13 18.23 0.25 . 1 . . . . . . . . 5506 1 758 . 1 1 80 80 ILE HG21 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 759 . 1 1 80 80 ILE HG22 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 760 . 1 1 80 80 ILE HG23 H 1 0.64 0.02 . 1 . . . . . . . . 5506 1 761 . 1 1 80 80 ILE CG1 C 13 27.62 0.25 . 1 . . . . . . . . 5506 1 762 . 1 1 80 80 ILE HG12 H 1 1.54 0.02 . 1 . . . . . . . . 5506 1 763 . 1 1 80 80 ILE HG13 H 1 1.88 0.02 . 1 . . . . . . . . 5506 1 764 . 1 1 80 80 ILE CD1 C 13 15.30 0.25 . 1 . . . . . . . . 5506 1 765 . 1 1 80 80 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5506 1 766 . 1 1 80 80 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5506 1 767 . 1 1 80 80 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5506 1 768 . 1 1 81 81 ASP N N 15 131.21 0.1 . 1 . . . . . . . . 5506 1 769 . 1 1 81 81 ASP H H 1 9.31 0.02 . 1 . . . . . . . . 5506 1 770 . 1 1 81 81 ASP CA C 13 53.91 0.25 . 1 . . . . . . . . 5506 1 771 . 1 1 81 81 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 5506 1 772 . 1 1 81 81 ASP CB C 13 42.67 0.25 . 1 . . . . . . . . 5506 1 773 . 1 1 81 81 ASP HB2 H 1 2.45 0.02 . 1 . . . . . . . . 5506 1 774 . 1 1 81 81 ASP HB3 H 1 2.59 0.02 . 1 . . . . . . . . 5506 1 775 . 1 1 82 82 VAL N N 15 110.04 0.1 . 1 . . . . . . . . 5506 1 776 . 1 1 82 82 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 5506 1 777 . 1 1 82 82 VAL CA C 13 59.12 0.25 . 1 . . . . . . . . 5506 1 778 . 1 1 82 82 VAL HA H 1 4.69 0.02 . 1 . . . . . . . . 5506 1 779 . 1 1 82 82 VAL CB C 13 32.06 0.25 . 1 . . . . . . . . 5506 1 780 . 1 1 82 82 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 5506 1 781 . 1 1 82 82 VAL CG1 C 13 23.04 0.25 . 1 . . . . . . . . 5506 1 782 . 1 1 82 82 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 783 . 1 1 82 82 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 784 . 1 1 82 82 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 5506 1 785 . 1 1 82 82 VAL CG2 C 13 20.83 0.25 . 1 . . . . . . . . 5506 1 786 . 1 1 82 82 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5506 1 787 . 1 1 82 82 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5506 1 788 . 1 1 82 82 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5506 1 789 . 1 1 83 83 PRO CA C 13 64.84 0.25 . 1 . . . . . . . . 5506 1 790 . 1 1 83 83 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 5506 1 791 . 1 1 83 83 PRO CD C 13 50.90 0.25 . 1 . . . . . . . . 5506 1 792 . 1 1 83 83 PRO HD2 H 1 3.38 0.02 . 1 . . . . . . . . 5506 1 793 . 1 1 83 83 PRO HD3 H 1 3.95 0.02 . 1 . . . . . . . . 5506 1 794 . 1 1 83 83 PRO CB C 13 32.36 0.25 . 1 . . . . . . . . 5506 1 795 . 1 1 83 83 PRO HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5506 1 796 . 1 1 83 83 PRO HB3 H 1 2.28 0.02 . 1 . . . . . . . . 5506 1 797 . 1 1 83 83 PRO CG C 13 27.30 0.25 . 1 . . . . . . . . 5506 1 798 . 1 1 83 83 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . 5506 1 799 . 1 1 84 84 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 5506 1 800 . 1 1 84 84 GLY H H 1 9.07 0.02 . 1 . . . . . . . . 5506 1 801 . 1 1 84 84 GLY CA C 13 46.09 0.25 . 1 . . . . . . . . 5506 1 802 . 1 1 84 84 GLY HA2 H 1 4.66 0.02 . 1 . . . . . . . . 5506 1 803 . 1 1 84 84 GLY HA3 H 1 3.58 0.02 . 1 . . . . . . . . 5506 1 804 . 1 1 85 85 GLY N N 15 109.93 0.1 . 1 . . . . . . . . 5506 1 805 . 1 1 85 85 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 5506 1 806 . 1 1 85 85 GLY CA C 13 44.92 0.25 . 1 . . . . . . . . 5506 1 807 . 1 1 85 85 GLY HA2 H 1 4.19 0.02 . 1 . . . . . . . . 5506 1 808 . 1 1 85 85 GLY HA3 H 1 3.82 0.02 . 1 . . . . . . . . 5506 1 809 . 1 1 86 86 ILE N N 15 131.17 0.1 . 1 . . . . . . . . 5506 1 810 . 1 1 86 86 ILE H H 1 8.07 0.02 . 1 . . . . . . . . 5506 1 811 . 1 1 86 86 ILE CA C 13 60.89 0.25 . 1 . . . . . . . . 5506 1 812 . 1 1 86 86 ILE HA H 1 4.80 0.02 . 1 . . . . . . . . 5506 1 813 . 1 1 86 86 ILE CB C 13 39.26 0.25 . 1 . . . . . . . . 5506 1 814 . 1 1 86 86 ILE HB H 1 2.50 0.02 . 1 . . . . . . . . 5506 1 815 . 1 1 86 86 ILE CG2 C 13 18.65 0.25 . 1 . . . . . . . . 5506 1 816 . 1 1 86 86 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5506 1 817 . 1 1 86 86 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5506 1 818 . 1 1 86 86 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5506 1 819 . 1 1 86 86 ILE CG1 C 13 25.92 0.25 . 1 . . . . . . . . 5506 1 820 . 1 1 86 86 ILE HG12 H 1 1.32 0.02 . 1 . . . . . . . . 5506 1 821 . 1 1 86 86 ILE CD1 C 13 14.30 0.25 . 1 . . . . . . . . 5506 1 822 . 1 1 86 86 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 823 . 1 1 86 86 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 824 . 1 1 86 86 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5506 1 825 . 1 1 87 87 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5506 1 826 . 1 1 87 87 LEU CA C 13 54.23 0.25 . 1 . . . . . . . . 5506 1 827 . 1 1 87 87 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 5506 1 828 . 1 1 87 87 LEU CB C 13 43.60 0.25 . 1 . . . . . . . . 5506 1 829 . 1 1 87 87 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5506 1 830 . 1 1 87 87 LEU HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5506 1 831 . 1 1 87 87 LEU CD1 C 13 26.68 0.25 . 1 . . . . . . . . 5506 1 832 . 1 1 87 87 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 833 . 1 1 87 87 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 834 . 1 1 87 87 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 835 . 1 1 87 87 LEU CD2 C 13 22.56 0.25 . 1 . . . . . . . . 5506 1 836 . 1 1 87 87 LEU HD21 H 1 0.73 0.02 . 1 . . . . . . . . 5506 1 837 . 1 1 87 87 LEU HD22 H 1 0.73 0.02 . 1 . . . . . . . . 5506 1 838 . 1 1 87 87 LEU HD23 H 1 0.73 0.02 . 1 . . . . . . . . 5506 1 839 . 1 1 88 88 PHE N N 15 118.31 0.1 . 1 . . . . . . . . 5506 1 840 . 1 1 88 88 PHE H H 1 8.06 0.02 . 1 . . . . . . . . 5506 1 841 . 1 1 88 88 PHE CA C 13 59.06 0.25 . 1 . . . . . . . . 5506 1 842 . 1 1 88 88 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 5506 1 843 . 1 1 88 88 PHE CB C 13 40.40 0.25 . 1 . . . . . . . . 5506 1 844 . 1 1 88 88 PHE HB2 H 1 2.36 0.02 . 1 . . . . . . . . 5506 1 845 . 1 1 88 88 PHE HB3 H 1 3.08 0.02 . 1 . . . . . . . . 5506 1 846 . 1 1 88 88 PHE HD1 H 1 6.74 0.02 . 1 . . . . . . . . 5506 1 847 . 1 1 88 88 PHE HD2 H 1 6.74 0.02 . 1 . . . . . . . . 5506 1 848 . 1 1 89 89 GLY N N 15 119.44 0.1 . 1 . . . . . . . . 5506 1 849 . 1 1 89 89 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 5506 1 850 . 1 1 89 89 GLY CA C 13 44.52 0.25 . 1 . . . . . . . . 5506 1 851 . 1 1 89 89 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5506 1 852 . 1 1 89 89 GLY HA3 H 1 3.18 0.02 . 1 . . . . . . . . 5506 1 853 . 1 1 90 90 ALA N N 15 125.56 0.1 . 1 . . . . . . . . 5506 1 854 . 1 1 90 90 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5506 1 855 . 1 1 90 90 ALA CA C 13 53.05 0.25 . 1 . . . . . . . . 5506 1 856 . 1 1 90 90 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 5506 1 857 . 1 1 90 90 ALA CB C 13 21.79 0.25 . 1 . . . . . . . . 5506 1 858 . 1 1 90 90 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5506 1 859 . 1 1 90 90 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5506 1 860 . 1 1 90 90 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5506 1 861 . 1 1 91 91 THR N N 15 115.25 0.1 . 1 . . . . . . . . 5506 1 862 . 1 1 91 91 THR H H 1 8.07 0.02 . 1 . . . . . . . . 5506 1 863 . 1 1 91 91 THR CA C 13 61.65 0.25 . 1 . . . . . . . . 5506 1 864 . 1 1 91 91 THR HA H 1 5.38 0.02 . 1 . . . . . . . . 5506 1 865 . 1 1 91 91 THR CB C 13 71.40 0.25 . 1 . . . . . . . . 5506 1 866 . 1 1 91 91 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 5506 1 867 . 1 1 91 91 THR CG2 C 13 21.15 0.25 . 1 . . . . . . . . 5506 1 868 . 1 1 91 91 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 869 . 1 1 91 91 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 870 . 1 1 91 91 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5506 1 871 . 1 1 92 92 ILE N N 15 123.31 0.1 . 1 . . . . . . . . 5506 1 872 . 1 1 92 92 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 5506 1 873 . 1 1 92 92 ILE CA C 13 59.95 0.25 . 1 . . . . . . . . 5506 1 874 . 1 1 92 92 ILE HA H 1 4.91 0.02 . 1 . . . . . . . . 5506 1 875 . 1 1 92 92 ILE CB C 13 40.56 0.25 . 1 . . . . . . . . 5506 1 876 . 1 1 92 92 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . 5506 1 877 . 1 1 92 92 ILE CG2 C 13 20.16 0.25 . 1 . . . . . . . . 5506 1 878 . 1 1 92 92 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 879 . 1 1 92 92 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 880 . 1 1 92 92 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5506 1 881 . 1 1 92 92 ILE CG1 C 13 23.99 0.25 . 1 . . . . . . . . 5506 1 882 . 1 1 92 92 ILE HG12 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 883 . 1 1 92 92 ILE HG13 H 1 0.52 0.02 . 1 . . . . . . . . 5506 1 884 . 1 1 92 92 ILE CD1 C 13 12.45 0.25 . 1 . . . . . . . . 5506 1 885 . 1 1 92 92 ILE HD11 H 1 -0.39 0.02 . 1 . . . . . . . . 5506 1 886 . 1 1 92 92 ILE HD12 H 1 -0.39 0.02 . 1 . . . . . . . . 5506 1 887 . 1 1 92 92 ILE HD13 H 1 -0.39 0.02 . 1 . . . . . . . . 5506 1 888 . 1 1 93 93 SER N N 15 115.13 0.1 . 1 . . . . . . . . 5506 1 889 . 1 1 93 93 SER H H 1 8.02 0.02 . 1 . . . . . . . . 5506 1 890 . 1 1 93 93 SER CA C 13 57.16 0.25 . 1 . . . . . . . . 5506 1 891 . 1 1 93 93 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5506 1 892 . 1 1 93 93 SER CB C 13 66.17 0.25 . 1 . . . . . . . . 5506 1 893 . 1 1 93 93 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 5506 1 894 . 1 1 93 93 SER HB3 H 1 3.69 0.02 . 1 . . . . . . . . 5506 1 895 . 1 1 94 94 PHE N N 15 122.90 0.1 . 1 . . . . . . . . 5506 1 896 . 1 1 94 94 PHE H H 1 7.81 0.02 . 1 . . . . . . . . 5506 1 897 . 1 1 94 94 PHE CA C 13 54.69 0.25 . 1 . . . . . . . . 5506 1 898 . 1 1 94 94 PHE HA H 1 5.59 0.02 . 1 . . . . . . . . 5506 1 899 . 1 1 94 94 PHE CB C 13 43.64 0.25 . 1 . . . . . . . . 5506 1 900 . 1 1 94 94 PHE HB2 H 1 2.63 0.02 . 1 . . . . . . . . 5506 1 901 . 1 1 94 94 PHE HB3 H 1 2.86 0.02 . 1 . . . . . . . . 5506 1 902 . 1 1 94 94 PHE CD1 C 13 132.2 0.1 . 1 . . . . . . . . 5506 1 903 . 1 1 94 94 PHE HD1 H 1 6.99 0.02 . 1 . . . . . . . . 5506 1 904 . 1 1 94 94 PHE CD2 C 13 132.2 0.1 . 1 . . . . . . . . 5506 1 905 . 1 1 94 94 PHE HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5506 1 906 . 1 1 94 94 PHE CE1 C 13 129.5 0.1 . 1 . . . . . . . . 5506 1 907 . 1 1 94 94 PHE HE1 H 1 6.61 0.02 . 1 . . . . . . . . 5506 1 908 . 1 1 94 94 PHE CE2 C 13 129.5 0.1 . 1 . . . . . . . . 5506 1 909 . 1 1 94 94 PHE HE2 H 1 6.61 0.02 . 1 . . . . . . . . 5506 1 910 . 1 1 94 94 PHE CZ C 13 129.5 0.1 . 1 . . . . . . . . 5506 1 911 . 1 1 94 94 PHE HZ H 1 6.78 0.02 . 1 . . . . . . . . 5506 1 912 . 1 1 95 95 SER N N 15 114.70 0.1 . 1 . . . . . . . . 5506 1 913 . 1 1 95 95 SER H H 1 8.44 0.02 . 1 . . . . . . . . 5506 1 914 . 1 1 95 95 SER CA C 13 57.84 0.25 . 1 . . . . . . . . 5506 1 915 . 1 1 95 95 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5506 1 916 . 1 1 95 95 SER CB C 13 66.02 0.25 . 1 . . . . . . . . 5506 1 917 . 1 1 95 95 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 5506 1 918 . 1 1 96 96 CYS N N 15 117.37 0.1 . 1 . . . . . . . . 5506 1 919 . 1 1 96 96 CYS H H 1 8.67 0.02 . 1 . . . . . . . . 5506 1 920 . 1 1 96 96 CYS CA C 13 53.40 0.25 . 1 . . . . . . . . 5506 1 921 . 1 1 96 96 CYS HA H 1 5.36 0.02 . 1 . . . . . . . . 5506 1 922 . 1 1 96 96 CYS CB C 13 41.61 0.25 . 1 . . . . . . . . 5506 1 923 . 1 1 96 96 CYS HB2 H 1 2.49 0.02 . 1 . . . . . . . . 5506 1 924 . 1 1 96 96 CYS HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5506 1 925 . 1 1 97 97 ASN N N 15 123.43 0.1 . 1 . . . . . . . . 5506 1 926 . 1 1 97 97 ASN H H 1 8.70 0.02 . 1 . . . . . . . . 5506 1 927 . 1 1 97 97 ASN CA C 13 52.77 0.25 . 1 . . . . . . . . 5506 1 928 . 1 1 97 97 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5506 1 929 . 1 1 97 97 ASN CB C 13 38.64 0.25 . 1 . . . . . . . . 5506 1 930 . 1 1 97 97 ASN HB2 H 1 2.47 0.02 . 1 . . . . . . . . 5506 1 931 . 1 1 97 97 ASN HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5506 1 932 . 1 1 97 97 ASN HD21 H 1 6.70 0.02 . 1 . . . . . . . . 5506 1 933 . 1 1 97 97 ASN HD22 H 1 7.58 0.02 . 1 . . . . . . . . 5506 1 934 . 1 1 98 98 THR N N 15 116.77 0.1 . 1 . . . . . . . . 5506 1 935 . 1 1 98 98 THR H H 1 8.34 0.02 . 1 . . . . . . . . 5506 1 936 . 1 1 98 98 THR CA C 13 65.24 0.25 . 1 . . . . . . . . 5506 1 937 . 1 1 98 98 THR HA H 1 4.12 0.02 . 1 . . . . . . . . 5506 1 938 . 1 1 98 98 THR CB C 13 69.36 0.25 . 1 . . . . . . . . 5506 1 939 . 1 1 98 98 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 5506 1 940 . 1 1 98 98 THR CG2 C 13 21.90 0.25 . 1 . . . . . . . . 5506 1 941 . 1 1 98 98 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 5506 1 942 . 1 1 98 98 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 5506 1 943 . 1 1 98 98 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 5506 1 944 . 1 1 99 99 GLY N N 15 115.97 0.1 . 1 . . . . . . . . 5506 1 945 . 1 1 99 99 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 5506 1 946 . 1 1 99 99 GLY CA C 13 45.05 0.25 . 1 . . . . . . . . 5506 1 947 . 1 1 99 99 GLY HA2 H 1 4.23 0.02 . 1 . . . . . . . . 5506 1 948 . 1 1 99 99 GLY HA3 H 1 3.51 0.02 . 1 . . . . . . . . 5506 1 949 . 1 1 100 100 TYR N N 15 120.31 0.1 . 1 . . . . . . . . 5506 1 950 . 1 1 100 100 TYR H H 1 8.22 0.02 . 1 . . . . . . . . 5506 1 951 . 1 1 100 100 TYR CA C 13 57.43 0.25 . 1 . . . . . . . . 5506 1 952 . 1 1 100 100 TYR HA H 1 4.82 0.02 . 1 . . . . . . . . 5506 1 953 . 1 1 100 100 TYR CB C 13 41.49 0.25 . 1 . . . . . . . . 5506 1 954 . 1 1 100 100 TYR HB2 H 1 2.46 0.02 . 1 . . . . . . . . 5506 1 955 . 1 1 100 100 TYR HB3 H 1 3.28 0.02 . 1 . . . . . . . . 5506 1 956 . 1 1 100 100 TYR HD1 H 1 6.68 0.02 . 1 . . . . . . . . 5506 1 957 . 1 1 100 100 TYR HD2 H 1 6.68 0.02 . 1 . . . . . . . . 5506 1 958 . 1 1 100 100 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 5506 1 959 . 1 1 100 100 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . 5506 1 960 . 1 1 101 101 LYS N N 15 124.60 0.1 . 1 . . . . . . . . 5506 1 961 . 1 1 101 101 LYS H H 1 9.35 0.02 . 1 . . . . . . . . 5506 1 962 . 1 1 101 101 LYS CA C 13 54.82 0.25 . 1 . . . . . . . . 5506 1 963 . 1 1 101 101 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 5506 1 964 . 1 1 101 101 LYS CB C 13 36.64 0.25 . 1 . . . . . . . . 5506 1 965 . 1 1 101 101 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5506 1 966 . 1 1 101 101 LYS HG2 H 1 1.18 0.02 . 1 . . . . . . . . 5506 1 967 . 1 1 101 101 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 5506 1 968 . 1 1 101 101 LYS HD2 H 1 2.67 0.02 . 1 . . . . . . . . 5506 1 969 . 1 1 101 101 LYS HD3 H 1 2.67 0.02 . 1 . . . . . . . . 5506 1 970 . 1 1 102 102 LEU N N 15 130.36 0.1 . 1 . . . . . . . . 5506 1 971 . 1 1 102 102 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 5506 1 972 . 1 1 102 102 LEU CA C 13 57.66 0.25 . 1 . . . . . . . . 5506 1 973 . 1 1 102 102 LEU HA H 1 4.66 0.02 . 1 . . . . . . . . 5506 1 974 . 1 1 102 102 LEU CB C 13 44.06 0.25 . 1 . . . . . . . . 5506 1 975 . 1 1 102 102 LEU HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5506 1 976 . 1 1 102 102 LEU HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5506 1 977 . 1 1 102 102 LEU CG C 13 28.80 0.25 . 1 . . . . . . . . 5506 1 978 . 1 1 102 102 LEU CD1 C 13 26.33 0.25 . 1 . . . . . . . . 5506 1 979 . 1 1 102 102 LEU HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 980 . 1 1 102 102 LEU HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 981 . 1 1 102 102 LEU HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5506 1 982 . 1 1 102 102 LEU CD2 C 13 26.22 0.25 . 1 . . . . . . . . 5506 1 983 . 1 1 102 102 LEU HD21 H 1 0.56 0.02 . 1 . . . . . . . . 5506 1 984 . 1 1 102 102 LEU HD22 H 1 0.56 0.02 . 1 . . . . . . . . 5506 1 985 . 1 1 102 102 LEU HD23 H 1 0.56 0.02 . 1 . . . . . . . . 5506 1 986 . 1 1 103 103 PHE N N 15 129.83 0.1 . 1 . . . . . . . . 5506 1 987 . 1 1 103 103 PHE H H 1 9.49 0.02 . 1 . . . . . . . . 5506 1 988 . 1 1 103 103 PHE CA C 13 58.41 0.25 . 1 . . . . . . . . 5506 1 989 . 1 1 103 103 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 5506 1 990 . 1 1 103 103 PHE CB C 13 40.94 0.25 . 1 . . . . . . . . 5506 1 991 . 1 1 103 103 PHE HB2 H 1 2.91 0.02 . 1 . . . . . . . . 5506 1 992 . 1 1 103 103 PHE HB3 H 1 2.95 0.02 . 1 . . . . . . . . 5506 1 993 . 1 1 103 103 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 5506 1 994 . 1 1 103 103 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5506 1 995 . 1 1 104 104 GLY N N 15 115.64 0.1 . 1 . . . . . . . . 5506 1 996 . 1 1 104 104 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 5506 1 997 . 1 1 104 104 GLY CA C 13 43.63 0.25 . 1 . . . . . . . . 5506 1 998 . 1 1 104 104 GLY HA2 H 1 4.62 0.02 . 1 . . . . . . . . 5506 1 999 . 1 1 104 104 GLY HA3 H 1 3.66 0.02 . 1 . . . . . . . . 5506 1 1000 . 1 1 105 105 SER N N 15 119.44 0.1 . 1 . . . . . . . . 5506 1 1001 . 1 1 105 105 SER H H 1 8.77 0.02 . 1 . . . . . . . . 5506 1 1002 . 1 1 105 105 SER CA C 13 58.95 0.25 . 1 . . . . . . . . 5506 1 1003 . 1 1 105 105 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5506 1 1004 . 1 1 105 105 SER CB C 13 64.47 0.25 . 1 . . . . . . . . 5506 1 1005 . 1 1 105 105 SER HB2 H 1 4.22 0.02 . 1 . . . . . . . . 5506 1 1006 . 1 1 105 105 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 5506 1 1007 . 1 1 106 106 THR N N 15 130.89 0.1 . 1 . . . . . . . . 5506 1 1008 . 1 1 106 106 THR H H 1 8.23 0.02 . 1 . . . . . . . . 5506 1 1009 . 1 1 106 106 THR CA C 13 63.01 0.25 . 1 . . . . . . . . 5506 1 1010 . 1 1 106 106 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 5506 1 1011 . 1 1 106 106 THR CB C 13 69.89 0.25 . 1 . . . . . . . . 5506 1 1012 . 1 1 106 106 THR HB H 1 4.46 0.02 . 1 . . . . . . . . 5506 1 1013 . 1 1 106 106 THR CG2 C 13 23.36 0.25 . 1 . . . . . . . . 5506 1 1014 . 1 1 106 106 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 5506 1 1015 . 1 1 106 106 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 5506 1 1016 . 1 1 106 106 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 5506 1 1017 . 1 1 107 107 SER N N 15 116.81 0.1 . 1 . . . . . . . . 5506 1 1018 . 1 1 107 107 SER H H 1 7.83 0.02 . 1 . . . . . . . . 5506 1 1019 . 1 1 107 107 SER CA C 13 57.41 0.25 . 1 . . . . . . . . 5506 1 1020 . 1 1 107 107 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5506 1 1021 . 1 1 107 107 SER CB C 13 66.49 0.25 . 1 . . . . . . . . 5506 1 1022 . 1 1 107 107 SER HB2 H 1 3.65 0.02 . 1 . . . . . . . . 5506 1 1023 . 1 1 107 107 SER HB3 H 1 3.73 0.02 . 1 . . . . . . . . 5506 1 1024 . 1 1 108 108 SER N N 15 113.94 0.1 . 1 . . . . . . . . 5506 1 1025 . 1 1 108 108 SER H H 1 8.01 0.02 . 1 . . . . . . . . 5506 1 1026 . 1 1 108 108 SER CA C 13 57.95 0.25 . 1 . . . . . . . . 5506 1 1027 . 1 1 108 108 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 5506 1 1028 . 1 1 108 108 SER CB C 13 65.52 0.25 . 1 . . . . . . . . 5506 1 1029 . 1 1 108 108 SER HB2 H 1 3.45 0.02 . 1 . . . . . . . . 5506 1 1030 . 1 1 108 108 SER HB3 H 1 3.80 0.02 . 1 . . . . . . . . 5506 1 1031 . 1 1 109 109 PHE N N 15 126.03 0.1 . 1 . . . . . . . . 5506 1 1032 . 1 1 109 109 PHE H H 1 9.26 0.02 . 1 . . . . . . . . 5506 1 1033 . 1 1 109 109 PHE CA C 13 56.03 0.25 . 1 . . . . . . . . 5506 1 1034 . 1 1 109 109 PHE HA H 1 5.99 0.02 . 1 . . . . . . . . 5506 1 1035 . 1 1 109 109 PHE CB C 13 43.38 0.25 . 1 . . . . . . . . 5506 1 1036 . 1 1 109 109 PHE HB2 H 1 3.02 0.02 . 1 . . . . . . . . 5506 1 1037 . 1 1 109 109 PHE HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5506 1 1038 . 1 1 109 109 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 5506 1 1039 . 1 1 109 109 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5506 1 1040 . 1 1 109 109 PHE HE1 H 1 8.11 0.02 . 1 . . . . . . . . 5506 1 1041 . 1 1 110 110 CYS N N 15 126.21 0.1 . 1 . . . . . . . . 5506 1 1042 . 1 1 110 110 CYS H H 1 8.71 0.02 . 1 . . . . . . . . 5506 1 1043 . 1 1 110 110 CYS CA C 13 55.8 0.25 . 1 . . . . . . . . 5506 1 1044 . 1 1 110 110 CYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5506 1 1045 . 1 1 110 110 CYS CB C 13 40.01 0.25 . 1 . . . . . . . . 5506 1 1046 . 1 1 110 110 CYS HB2 H 1 2.73 0.02 . 1 . . . . . . . . 5506 1 1047 . 1 1 110 110 CYS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5506 1 1048 . 1 1 111 111 LEU CA C 13 53.40 0.25 . 1 . . . . . . . . 5506 1 1049 . 1 1 111 111 LEU CB C 13 41.08 0.25 . 1 . . . . . . . . 5506 1 1050 . 1 1 112 112 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 5506 1 1051 . 1 1 112 112 ILE CA C 13 61.74 0.25 . 1 . . . . . . . . 5506 1 1052 . 1 1 112 112 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 5506 1 1053 . 1 1 112 112 ILE CB C 13 39.34 0.25 . 1 . . . . . . . . 5506 1 1054 . 1 1 112 112 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 5506 1 1055 . 1 1 112 112 ILE CG2 C 13 18.10 0.25 . 1 . . . . . . . . 5506 1 1056 . 1 1 112 112 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 1057 . 1 1 112 112 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 1058 . 1 1 112 112 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5506 1 1059 . 1 1 112 112 ILE CG1 C 13 28.75 0.25 . 1 . . . . . . . . 5506 1 1060 . 1 1 112 112 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . 5506 1 1061 . 1 1 112 112 ILE HG13 H 1 0.65 0.02 . 1 . . . . . . . . 5506 1 1062 . 1 1 112 112 ILE CD1 C 13 14.49 0.25 . 1 . . . . . . . . 5506 1 1063 . 1 1 112 112 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1064 . 1 1 112 112 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1065 . 1 1 112 112 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1066 . 1 1 113 113 SER N N 15 123.44 0.1 . 1 . . . . . . . . 5506 1 1067 . 1 1 113 113 SER H H 1 8.15 0.02 . 1 . . . . . . . . 5506 1 1068 . 1 1 113 113 SER CA C 13 56.78 0.25 . 1 . . . . . . . . 5506 1 1069 . 1 1 113 113 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 5506 1 1070 . 1 1 113 113 SER CB C 13 63.53 0.25 . 1 . . . . . . . . 5506 1 1071 . 1 1 113 113 SER HB2 H 1 3.46 0.02 . 1 . . . . . . . . 5506 1 1072 . 1 1 114 114 GLY N N 15 120.08 0.1 . 1 . . . . . . . . 5506 1 1073 . 1 1 114 114 GLY H H 1 9.01 0.02 . 1 . . . . . . . . 5506 1 1074 . 1 1 114 114 GLY CA C 13 47.49 0.25 . 1 . . . . . . . . 5506 1 1075 . 1 1 114 114 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 5506 1 1076 . 1 1 114 114 GLY HA3 H 1 3.67 0.02 . 1 . . . . . . . . 5506 1 1077 . 1 1 115 115 SER N N 15 123.47 0.1 . 1 . . . . . . . . 5506 1 1078 . 1 1 115 115 SER H H 1 8.79 0.02 . 1 . . . . . . . . 5506 1 1079 . 1 1 115 115 SER CA C 13 58.47 0.25 . 1 . . . . . . . . 5506 1 1080 . 1 1 115 115 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 5506 1 1081 . 1 1 115 115 SER CB C 13 64.03 0.25 . 1 . . . . . . . . 5506 1 1082 . 1 1 115 115 SER HB2 H 1 4.04 0.02 . 1 . . . . . . . . 5506 1 1083 . 1 1 115 115 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 5506 1 1084 . 1 1 116 116 SER N N 15 119.28 0.1 . 1 . . . . . . . . 5506 1 1085 . 1 1 116 116 SER H H 1 8.01 0.02 . 1 . . . . . . . . 5506 1 1086 . 1 1 116 116 SER CA C 13 56.55 0.25 . 1 . . . . . . . . 5506 1 1087 . 1 1 116 116 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 5506 1 1088 . 1 1 116 116 SER CB C 13 65.27 0.25 . 1 . . . . . . . . 5506 1 1089 . 1 1 116 116 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 5506 1 1090 . 1 1 116 116 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 5506 1 1091 . 1 1 117 117 VAL N N 15 118.31 0.1 . 1 . . . . . . . . 5506 1 1092 . 1 1 117 117 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5506 1 1093 . 1 1 117 117 VAL CA C 13 59.85 0.25 . 1 . . . . . . . . 5506 1 1094 . 1 1 117 117 VAL HA H 1 5.07 0.02 . 1 . . . . . . . . 5506 1 1095 . 1 1 117 117 VAL CB C 13 33.58 0.25 . 1 . . . . . . . . 5506 1 1096 . 1 1 117 117 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 5506 1 1097 . 1 1 117 117 VAL CG1 C 13 23.01 0.25 . 1 . . . . . . . . 5506 1 1098 . 1 1 117 117 VAL HG11 H 1 0.50 0.02 . 1 . . . . . . . . 5506 1 1099 . 1 1 117 117 VAL HG12 H 1 0.50 0.02 . 1 . . . . . . . . 5506 1 1100 . 1 1 117 117 VAL HG13 H 1 0.50 0.02 . 1 . . . . . . . . 5506 1 1101 . 1 1 117 117 VAL CG2 C 13 20.71 0.25 . 1 . . . . . . . . 5506 1 1102 . 1 1 117 117 VAL HG21 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1103 . 1 1 117 117 VAL HG22 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1104 . 1 1 117 117 VAL HG23 H 1 0.45 0.02 . 1 . . . . . . . . 5506 1 1105 . 1 1 118 118 GLN N N 15 121.95 0.1 . 1 . . . . . . . . 5506 1 1106 . 1 1 118 118 GLN H H 1 8.99 0.02 . 1 . . . . . . . . 5506 1 1107 . 1 1 118 118 GLN CA C 13 54.3 0.25 . 1 . . . . . . . . 5506 1 1108 . 1 1 118 118 GLN HA H 1 4.61 0.02 . 1 . . . . . . . . 5506 1 1109 . 1 1 118 118 GLN CB C 13 33.55 0.25 . 1 . . . . . . . . 5506 1 1110 . 1 1 118 118 GLN HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5506 1 1111 . 1 1 118 118 GLN HB3 H 1 2.11 0.02 . 1 . . . . . . . . 5506 1 1112 . 1 1 118 118 GLN HE21 H 1 6.75 0.02 . 1 . . . . . . . . 5506 1 1113 . 1 1 119 119 TRP H H 1 8.31 0.02 . 1 . . . . . . . . 5506 1 1114 . 1 1 119 119 TRP CA C 13 57.1 0.25 . 1 . . . . . . . . 5506 1 1115 . 1 1 119 119 TRP HA H 1 5.02 0.02 . 1 . . . . . . . . 5506 1 1116 . 1 1 119 119 TRP CB C 13 30.44 0.25 . 1 . . . . . . . . 5506 1 1117 . 1 1 119 119 TRP HB2 H 1 2.92 0.02 . 1 . . . . . . . . 5506 1 1118 . 1 1 119 119 TRP HB3 H 1 3.62 0.02 . 1 . . . . . . . . 5506 1 1119 . 1 1 119 119 TRP CD1 C 13 125.99 0.1 . 1 . . . . . . . . 5506 1 1120 . 1 1 119 119 TRP HD1 H 1 7.38 0.02 . 1 . . . . . . . . 5506 1 1121 . 1 1 119 119 TRP HE1 H 1 10.57 0.02 . 1 . . . . . . . . 5506 1 1122 . 1 1 119 119 TRP HE3 H 1 8.34 0.02 . 1 . . . . . . . . 5506 1 1123 . 1 1 119 119 TRP CZ2 C 13 113.55 0.1 . 1 . . . . . . . . 5506 1 1124 . 1 1 119 119 TRP HZ2 H 1 7.26 0.02 . 1 . . . . . . . . 5506 1 1125 . 1 1 119 119 TRP CZ3 C 13 121.1 0.1 . 1 . . . . . . . . 5506 1 1126 . 1 1 119 119 TRP HZ3 H 1 7.44 0.02 . 1 . . . . . . . . 5506 1 1127 . 1 1 119 119 TRP CH2 C 13 122.88 0.1 . 1 . . . . . . . . 5506 1 1128 . 1 1 119 119 TRP HH2 H 1 6.91 0.02 . 1 . . . . . . . . 5506 1 1129 . 1 1 120 120 SER N N 15 114.13 0.1 . 1 . . . . . . . . 5506 1 1130 . 1 1 120 120 SER H H 1 8.27 0.02 . 1 . . . . . . . . 5506 1 1131 . 1 1 120 120 SER CA C 13 57.18 0.25 . 1 . . . . . . . . 5506 1 1132 . 1 1 120 120 SER HA H 1 4.09 0.02 . 1 . . . . . . . . 5506 1 1133 . 1 1 120 120 SER CB C 13 65.53 0.25 . 1 . . . . . . . . 5506 1 1134 . 1 1 121 121 ASP N N 15 126.62 0.1 . 1 . . . . . . . . 5506 1 1135 . 1 1 121 121 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 5506 1 1136 . 1 1 121 121 ASP CA C 13 54.1 0.25 . 1 . . . . . . . . 5506 1 1137 . 1 1 121 121 ASP HA H 1 5.46 0.02 . 1 . . . . . . . . 5506 1 1138 . 1 1 121 121 ASP CB C 13 39.9 0.25 . 1 . . . . . . . . 5506 1 1139 . 1 1 121 121 ASP HB2 H 1 2.51 0.02 . 1 . . . . . . . . 5506 1 1140 . 1 1 122 122 PRO CA C 13 62.36 0.25 . 1 . . . . . . . . 5506 1 1141 . 1 1 122 122 PRO CB C 13 33.59 0.25 . 1 . . . . . . . . 5506 1 1142 . 1 1 123 123 LEU H H 1 7.32 0.02 . 1 . . . . . . . . 5506 1 1143 . 1 1 123 123 LEU CA C 13 53.67 0.25 . 1 . . . . . . . . 5506 1 1144 . 1 1 123 123 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 5506 1 1145 . 1 1 123 123 LEU CB C 13 45.17 0.25 . 1 . . . . . . . . 5506 1 1146 . 1 1 123 123 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5506 1 1147 . 1 1 123 123 LEU CD1 C 13 25.21 0.25 . 1 . . . . . . . . 5506 1 1148 . 1 1 123 123 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 1149 . 1 1 123 123 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 1150 . 1 1 123 123 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5506 1 1151 . 1 1 123 123 LEU CD2 C 13 24.60 0.25 . 1 . . . . . . . . 5506 1 1152 . 1 1 123 123 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5506 1 1153 . 1 1 123 123 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5506 1 1154 . 1 1 123 123 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5506 1 1155 . 1 1 124 124 PRO CA C 13 62.5 0.25 . 1 . . . . . . . . 5506 1 1156 . 1 1 124 124 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5506 1 1157 . 1 1 124 124 PRO CD C 13 49.5 0.25 . 1 . . . . . . . . 5506 1 1158 . 1 1 124 124 PRO HD2 H 1 2.86 0.02 . 1 . . . . . . . . 5506 1 1159 . 1 1 124 124 PRO HD3 H 1 3.07 0.02 . 1 . . . . . . . . 5506 1 1160 . 1 1 124 124 PRO CB C 13 33.8 0.25 . 1 . . . . . . . . 5506 1 1161 . 1 1 124 124 PRO HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5506 1 1162 . 1 1 124 124 PRO HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5506 1 1163 . 1 1 124 124 PRO CG C 13 26.59 0.25 . 1 . . . . . . . . 5506 1 1164 . 1 1 125 125 GLU N N 15 115.23 0.1 . 1 . . . . . . . . 5506 1 1165 . 1 1 125 125 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 5506 1 1166 . 1 1 125 125 GLU CA C 13 54.65 0.25 . 1 . . . . . . . . 5506 1 1167 . 1 1 125 125 GLU HA H 1 4.55 0.02 . 1 . . . . . . . . 5506 1 1168 . 1 1 125 125 GLU CB C 13 34.12 0.25 . 1 . . . . . . . . 5506 1 1169 . 1 1 125 125 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5506 1 1170 . 1 1 125 125 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5506 1 1171 . 1 1 125 125 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5506 1 1172 . 1 1 125 125 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 5506 1 1173 . 1 1 126 126 CYS N N 15 123.65 0.1 . 1 . . . . . . . . 5506 1 1174 . 1 1 126 126 CYS H H 1 8.98 0.02 . 1 . . . . . . . . 5506 1 1175 . 1 1 126 126 CYS CA C 13 54.10 0.25 . 1 . . . . . . . . 5506 1 1176 . 1 1 126 126 CYS HA H 1 5.41 0.02 . 1 . . . . . . . . 5506 1 1177 . 1 1 126 126 CYS CB C 13 40.37 0.25 . 1 . . . . . . . . 5506 1 1178 . 1 1 126 126 CYS HB2 H 1 2.53 0.02 . 1 . . . . . . . . 5506 1 1179 . 1 1 126 126 CYS HB3 H 1 2.86 0.02 . 1 . . . . . . . . 5506 1 1180 . 1 1 127 127 ARG N N 15 125.17 0.1 . 1 . . . . . . . . 5506 1 1181 . 1 1 127 127 ARG H H 1 9.21 0.02 . 1 . . . . . . . . 5506 1 1182 . 1 1 127 127 ARG CA C 13 55.32 0.25 . 1 . . . . . . . . 5506 1 1183 . 1 1 127 127 ARG HA H 1 4.88 0.02 . 1 . . . . . . . . 5506 1 1184 . 1 1 127 127 ARG CB C 13 33.45 0.25 . 1 . . . . . . . . 5506 1 1185 . 1 1 127 127 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5506 1 1186 . 1 1 127 127 ARG HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5506 1 1187 . 1 1 127 127 ARG CG C 13 27.90 0.25 . 1 . . . . . . . . 5506 1 1188 . 1 1 127 127 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5506 1 1189 . 1 1 127 127 ARG CD C 13 43.51 0.25 . 1 . . . . . . . . 5506 1 1190 . 1 1 127 127 ARG HD2 H 1 2.47 0.02 . 1 . . . . . . . . 5506 1 1191 . 1 1 127 127 ARG HD3 H 1 2.87 0.02 . 1 . . . . . . . . 5506 1 1192 . 1 1 128 128 GLU N N 15 127.28 0.1 . 1 . . . . . . . . 5506 1 1193 . 1 1 128 128 GLU H H 1 9.15 0.02 . 1 . . . . . . . . 5506 1 1194 . 1 1 128 128 GLU CA C 13 58.26 0.25 . 1 . . . . . . . . 5506 1 1195 . 1 1 128 128 GLU HA H 1 3.58 0.02 . 1 . . . . . . . . 5506 1 1196 . 1 1 128 128 GLU CB C 13 30.16 0.25 . 1 . . . . . . . . 5506 1 1197 . 1 1 128 128 GLU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5506 1 1198 . 1 1 128 128 GLU HB3 H 1 1.82 0.02 . 1 . . . . . . . . 5506 1 1199 . 1 1 128 128 GLU CG C 13 36.51 0.25 . 1 . . . . . . . . 5506 1 1200 . 1 1 128 128 GLU HG2 H 1 2.01 0.02 . 1 . . . . . . . . 5506 1 1201 . 1 1 128 128 GLU HG3 H 1 2.01 0.02 . 1 . . . . . . . . 5506 1 1202 . 1 1 129 129 HIS N N 15 125.11 0.1 . 1 . . . . . . . . 5506 1 1203 . 1 1 129 129 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 5506 1 stop_ save_