data_6995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6995 _Entry.Title ; Solution structure of GDP-bound form of the GTP/GDP binding domain of translation initiation factor IF2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-20 _Entry.Accession_date 2006-02-20 _Entry.Last_release_date 2006-11-07 _Entry.Original_release_date 2006-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; structure of GDP-bound GTPase domain of IF2 from Bacillus stearothermophilus. Amino acid sequence is GSHM+ residues 241-415 from B.st. IF2. ; _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 Eugene Tischenko . V. . 6995 2 Gert Folkers . . . 6995 3 Rolf Boelens . . . 6995 4 Claudio Gualerzi . O. . 6995 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . BCBMR . 6995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 620 6995 '15N chemical shifts' 142 6995 '1H chemical shifts' 933 6995 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 . . 2006-11-07 2006-02-19 original author . 6995 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKD 'BMRB Entry Tracking System' 6995 . 6946 'chemical shifts of a free IF2G2' 6995 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6995 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16968770 _Citation.Full_citation . _Citation.Title 'The nucleotide-binding site of bacterial translation initiation factor 2 (IF2) as a metabolic sensor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue 38 _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 13962 _Citation.Page_last 13967 _Citation.Year 2006 _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 P. Milon . . . 6995 1 2 Eugene Tischenko . V. . 6995 1 3 J. Tomsic . . . 6995 1 4 E. Caserta . . . 6995 1 5 Gert Folkers . . . 6995 1 6 A. 'La Teana' . . . 6995 1 7 M. Rodnina . V. . 6995 1 8 C. Pon . L. . 6995 1 9 Rolf Boelens . . . 6995 1 10 Claudio Gualerzi . O. . 6995 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GTPase 6995 1 'initiation factor' 6995 1 NMR 6995 1 translation 6995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6995 _Assembly.ID 1 _Assembly.Name 'g2 complexed with GDP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites yes _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 19500 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'g2 complexed with GDP' 1 $GTPase_domain_from_IF2 . . yes native yes no . . . 6995 1 2 GDP 2 $GDP . . no native . no . . . 6995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GTPase_domain_from_IF2 _Entity.Sf_category entity _Entity.Sf_framecode GTPase_domain_from_IF2 _Entity.Entry_ID 6995 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IF2G2-GDP _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 ; GSHMVERPPVVTIMGHVDHG KTTLLDAIRHSKVTEQEAGG ITQHIGAYQVTVNDKKITFL DTPGHEAFTTMRARGAQVTD IVILVVAADDGVMPQTVEAI NHAKAANVPIIVAINKMDKP EANPDRVMQELMEYNLVPEE WGGDTIFCKLSAKTKEGLDH LLEMILLVSEMEELKANP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GSHM tag + B.st. IF2(residues 241-415)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19500 _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 6946 . GTPase_domain_from_IF2 . . . . . 100.00 178 100.00 100.00 2.66e-126 . . . . 6995 1 2 no PDB 2LKC . "Free B.St If2-G2" . . . . . 100.00 178 100.00 100.00 2.66e-126 . . . . 6995 1 3 no PDB 2LKD . "If2-G2 Gdp Complex" . . . . . 100.00 178 100.00 100.00 2.66e-126 . . . . 6995 1 4 no DBJ BAD75548 . "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" . . . . . 98.31 709 98.86 100.00 3.33e-118 . . . . 6995 1 5 no DBJ GAD12201 . "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" . . . . . 98.31 734 98.86 100.00 6.08e-118 . . . . 6995 1 6 no DBJ GAJ59418 . "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" . . . . . 98.31 739 98.86 100.00 6.24e-118 . . . . 6995 1 7 no EMBL CAA27987 . "unnamed protein product [Geobacillus stearothermophilus]" . . . . . 98.31 741 98.86 99.43 8.94e-118 . . . . 6995 1 8 no GB ABO66491 . "Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" . . . . . 98.31 735 97.14 99.43 6.65e-116 . . . . 6995 1 9 no GB ACX78663 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" . . . . . 98.31 739 98.86 100.00 6.24e-118 . . . . 6995 1 10 no GB ADI27260 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 98.31 739 98.86 100.00 7.25e-118 . . . . 6995 1 11 no GB ADU93636 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" . . . . . 98.31 739 98.86 100.00 6.24e-118 . . . . 6995 1 12 no GB AEV18768 . "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 98.31 739 98.86 100.00 6.24e-118 . . . . 6995 1 13 no REF WP_008878544 . "translation initiation factor IF-2 [Geobacillus sp. G11MC16]" . . . . . 98.31 735 97.14 99.43 6.65e-116 . . . . 6995 1 14 no REF WP_011230763 . "translation initiation factor IF-2 [Geobacillus kaustophilus]" . . . . . 98.31 709 98.86 100.00 3.33e-118 . . . . 6995 1 15 no REF WP_011887154 . "translation initiation factor IF-2 [Geobacillus thermodenitrificans]" . . . . . 98.31 735 97.14 99.43 6.65e-116 . . . . 6995 1 16 no REF WP_013145729 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 98.31 739 98.86 100.00 7.25e-118 . . . . 6995 1 17 no REF WP_013523417 . "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" . . . . . 98.31 739 98.86 100.00 6.24e-118 . . . . 6995 1 18 no SP A4IMD7 . "RecName: Full=Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" . . . . . 98.31 735 97.14 99.43 6.65e-116 . . . . 6995 1 19 no SP P04766 . "RecName: Full=Translation initiation factor IF-2 [Geobacillus stearothermophilus]" . . . . . 98.31 741 98.86 99.43 8.94e-118 . . . . 6995 1 20 no SP Q5L0I8 . "RecName: Full=Translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" . . . . . 98.31 709 98.86 100.00 3.33e-118 . . . . 6995 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Translation Initiation' 6995 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IF2G2-GDP . 6995 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'initiation factor GTPase' 6995 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 . GLY . 6995 1 2 . SER . 6995 1 3 . HIS . 6995 1 4 . MET . 6995 1 5 . VAL . 6995 1 6 . GLU . 6995 1 7 . ARG . 6995 1 8 . PRO . 6995 1 9 . PRO . 6995 1 10 . VAL . 6995 1 11 . VAL . 6995 1 12 . THR . 6995 1 13 . ILE . 6995 1 14 . MET . 6995 1 15 . GLY . 6995 1 16 . HIS . 6995 1 17 . VAL . 6995 1 18 . ASP . 6995 1 19 . HIS . 6995 1 20 . GLY . 6995 1 21 . LYS . 6995 1 22 . THR . 6995 1 23 . THR . 6995 1 24 . LEU . 6995 1 25 . LEU . 6995 1 26 . ASP . 6995 1 27 . ALA . 6995 1 28 . ILE . 6995 1 29 . ARG . 6995 1 30 . HIS . 6995 1 31 . SER . 6995 1 32 . LYS . 6995 1 33 . VAL . 6995 1 34 . THR . 6995 1 35 . GLU . 6995 1 36 . GLN . 6995 1 37 . GLU . 6995 1 38 . ALA . 6995 1 39 . GLY . 6995 1 40 . GLY . 6995 1 41 . ILE . 6995 1 42 . THR . 6995 1 43 . GLN . 6995 1 44 . HIS . 6995 1 45 . ILE . 6995 1 46 . GLY . 6995 1 47 . ALA . 6995 1 48 . TYR . 6995 1 49 . GLN . 6995 1 50 . VAL . 6995 1 51 . THR . 6995 1 52 . VAL . 6995 1 53 . ASN . 6995 1 54 . ASP . 6995 1 55 . LYS . 6995 1 56 . LYS . 6995 1 57 . ILE . 6995 1 58 . THR . 6995 1 59 . PHE . 6995 1 60 . LEU . 6995 1 61 . ASP . 6995 1 62 . THR . 6995 1 63 . PRO . 6995 1 64 . GLY . 6995 1 65 . HIS . 6995 1 66 . GLU . 6995 1 67 . ALA . 6995 1 68 . PHE . 6995 1 69 . THR . 6995 1 70 . THR . 6995 1 71 . MET . 6995 1 72 . ARG . 6995 1 73 . ALA . 6995 1 74 . ARG . 6995 1 75 . GLY . 6995 1 76 . ALA . 6995 1 77 . GLN . 6995 1 78 . VAL . 6995 1 79 . THR . 6995 1 80 . ASP . 6995 1 81 . ILE . 6995 1 82 . VAL . 6995 1 83 . ILE . 6995 1 84 . LEU . 6995 1 85 . VAL . 6995 1 86 . VAL . 6995 1 87 . ALA . 6995 1 88 . ALA . 6995 1 89 . ASP . 6995 1 90 . ASP . 6995 1 91 . GLY . 6995 1 92 . VAL . 6995 1 93 . MET . 6995 1 94 . PRO . 6995 1 95 . GLN . 6995 1 96 . THR . 6995 1 97 . VAL . 6995 1 98 . GLU . 6995 1 99 . ALA . 6995 1 100 . ILE . 6995 1 101 . ASN . 6995 1 102 . HIS . 6995 1 103 . ALA . 6995 1 104 . LYS . 6995 1 105 . ALA . 6995 1 106 . ALA . 6995 1 107 . ASN . 6995 1 108 . VAL . 6995 1 109 . PRO . 6995 1 110 . ILE . 6995 1 111 . ILE . 6995 1 112 . VAL . 6995 1 113 . ALA . 6995 1 114 . ILE . 6995 1 115 . ASN . 6995 1 116 . LYS . 6995 1 117 . MET . 6995 1 118 . ASP . 6995 1 119 . LYS . 6995 1 120 . PRO . 6995 1 121 . GLU . 6995 1 122 . ALA . 6995 1 123 . ASN . 6995 1 124 . PRO . 6995 1 125 . ASP . 6995 1 126 . ARG . 6995 1 127 . VAL . 6995 1 128 . MET . 6995 1 129 . GLN . 6995 1 130 . GLU . 6995 1 131 . LEU . 6995 1 132 . MET . 6995 1 133 . GLU . 6995 1 134 . TYR . 6995 1 135 . ASN . 6995 1 136 . LEU . 6995 1 137 . VAL . 6995 1 138 . PRO . 6995 1 139 . GLU . 6995 1 140 . GLU . 6995 1 141 . TRP . 6995 1 142 . GLY . 6995 1 143 . GLY . 6995 1 144 . ASP . 6995 1 145 . THR . 6995 1 146 . ILE . 6995 1 147 . PHE . 6995 1 148 . CYS . 6995 1 149 . LYS . 6995 1 150 . LEU . 6995 1 151 . SER . 6995 1 152 . ALA . 6995 1 153 . LYS . 6995 1 154 . THR . 6995 1 155 . LYS . 6995 1 156 . GLU . 6995 1 157 . GLY . 6995 1 158 . LEU . 6995 1 159 . ASP . 6995 1 160 . HIS . 6995 1 161 . LEU . 6995 1 162 . LEU . 6995 1 163 . GLU . 6995 1 164 . MET . 6995 1 165 . ILE . 6995 1 166 . LEU . 6995 1 167 . LEU . 6995 1 168 . VAL . 6995 1 169 . SER . 6995 1 170 . GLU . 6995 1 171 . MET . 6995 1 172 . GLU . 6995 1 173 . GLU . 6995 1 174 . LEU . 6995 1 175 . LYS . 6995 1 176 . ALA . 6995 1 177 . ASN . 6995 1 178 . PRO . 6995 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6995 1 . SER 2 2 6995 1 . HIS 3 3 6995 1 . MET 4 4 6995 1 . VAL 5 5 6995 1 . GLU 6 6 6995 1 . ARG 7 7 6995 1 . PRO 8 8 6995 1 . PRO 9 9 6995 1 . VAL 10 10 6995 1 . VAL 11 11 6995 1 . THR 12 12 6995 1 . ILE 13 13 6995 1 . MET 14 14 6995 1 . GLY 15 15 6995 1 . HIS 16 16 6995 1 . VAL 17 17 6995 1 . ASP 18 18 6995 1 . HIS 19 19 6995 1 . GLY 20 20 6995 1 . LYS 21 21 6995 1 . THR 22 22 6995 1 . THR 23 23 6995 1 . LEU 24 24 6995 1 . LEU 25 25 6995 1 . ASP 26 26 6995 1 . ALA 27 27 6995 1 . ILE 28 28 6995 1 . ARG 29 29 6995 1 . HIS 30 30 6995 1 . SER 31 31 6995 1 . LYS 32 32 6995 1 . VAL 33 33 6995 1 . THR 34 34 6995 1 . GLU 35 35 6995 1 . GLN 36 36 6995 1 . GLU 37 37 6995 1 . ALA 38 38 6995 1 . GLY 39 39 6995 1 . GLY 40 40 6995 1 . ILE 41 41 6995 1 . THR 42 42 6995 1 . GLN 43 43 6995 1 . HIS 44 44 6995 1 . ILE 45 45 6995 1 . GLY 46 46 6995 1 . ALA 47 47 6995 1 . TYR 48 48 6995 1 . GLN 49 49 6995 1 . VAL 50 50 6995 1 . THR 51 51 6995 1 . VAL 52 52 6995 1 . ASN 53 53 6995 1 . ASP 54 54 6995 1 . LYS 55 55 6995 1 . LYS 56 56 6995 1 . ILE 57 57 6995 1 . THR 58 58 6995 1 . PHE 59 59 6995 1 . LEU 60 60 6995 1 . ASP 61 61 6995 1 . THR 62 62 6995 1 . PRO 63 63 6995 1 . GLY 64 64 6995 1 . HIS 65 65 6995 1 . GLU 66 66 6995 1 . ALA 67 67 6995 1 . PHE 68 68 6995 1 . THR 69 69 6995 1 . THR 70 70 6995 1 . MET 71 71 6995 1 . ARG 72 72 6995 1 . ALA 73 73 6995 1 . ARG 74 74 6995 1 . GLY 75 75 6995 1 . ALA 76 76 6995 1 . GLN 77 77 6995 1 . VAL 78 78 6995 1 . THR 79 79 6995 1 . ASP 80 80 6995 1 . ILE 81 81 6995 1 . VAL 82 82 6995 1 . ILE 83 83 6995 1 . LEU 84 84 6995 1 . VAL 85 85 6995 1 . VAL 86 86 6995 1 . ALA 87 87 6995 1 . ALA 88 88 6995 1 . ASP 89 89 6995 1 . ASP 90 90 6995 1 . GLY 91 91 6995 1 . VAL 92 92 6995 1 . MET 93 93 6995 1 . PRO 94 94 6995 1 . GLN 95 95 6995 1 . THR 96 96 6995 1 . VAL 97 97 6995 1 . GLU 98 98 6995 1 . ALA 99 99 6995 1 . ILE 100 100 6995 1 . ASN 101 101 6995 1 . HIS 102 102 6995 1 . ALA 103 103 6995 1 . LYS 104 104 6995 1 . ALA 105 105 6995 1 . ALA 106 106 6995 1 . ASN 107 107 6995 1 . VAL 108 108 6995 1 . PRO 109 109 6995 1 . ILE 110 110 6995 1 . ILE 111 111 6995 1 . VAL 112 112 6995 1 . ALA 113 113 6995 1 . ILE 114 114 6995 1 . ASN 115 115 6995 1 . LYS 116 116 6995 1 . MET 117 117 6995 1 . ASP 118 118 6995 1 . LYS 119 119 6995 1 . PRO 120 120 6995 1 . GLU 121 121 6995 1 . ALA 122 122 6995 1 . ASN 123 123 6995 1 . PRO 124 124 6995 1 . ASP 125 125 6995 1 . ARG 126 126 6995 1 . VAL 127 127 6995 1 . MET 128 128 6995 1 . GLN 129 129 6995 1 . GLU 130 130 6995 1 . LEU 131 131 6995 1 . MET 132 132 6995 1 . GLU 133 133 6995 1 . TYR 134 134 6995 1 . ASN 135 135 6995 1 . LEU 136 136 6995 1 . VAL 137 137 6995 1 . PRO 138 138 6995 1 . GLU 139 139 6995 1 . GLU 140 140 6995 1 . TRP 141 141 6995 1 . GLY 142 142 6995 1 . GLY 143 143 6995 1 . ASP 144 144 6995 1 . THR 145 145 6995 1 . ILE 146 146 6995 1 . PHE 147 147 6995 1 . CYS 148 148 6995 1 . LYS 149 149 6995 1 . LEU 150 150 6995 1 . SER 151 151 6995 1 . ALA 152 152 6995 1 . LYS 153 153 6995 1 . THR 154 154 6995 1 . LYS 155 155 6995 1 . GLU 156 156 6995 1 . GLY 157 157 6995 1 . LEU 158 158 6995 1 . ASP 159 159 6995 1 . HIS 160 160 6995 1 . LEU 161 161 6995 1 . LEU 162 162 6995 1 . GLU 163 163 6995 1 . MET 164 164 6995 1 . ILE 165 165 6995 1 . LEU 166 166 6995 1 . LEU 167 167 6995 1 . VAL 168 168 6995 1 . SER 169 169 6995 1 . GLU 170 170 6995 1 . MET 171 171 6995 1 . GLU 172 172 6995 1 . GLU 173 173 6995 1 . LEU 174 174 6995 1 . LYS 175 175 6995 1 . ALA 176 176 6995 1 . ASN 177 177 6995 1 . PRO 178 178 6995 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 6995 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GDP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . GDP . 6995 2 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 6995 _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 $GTPase_domain_from_IF2 . 1422 organism . 'Bacillus stearothermophilus' 'Bacillus stearothermophilus' . . Bacteria . Geobacillus Geobacillus 'Bacillus stearothermophilus' . . . . . . . . . . . . . . . . . . . . 6995 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 6995 _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 $GTPase_domain_from_IF2 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6995 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 6995 _Chem_comp.ID GDP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 19:06:23 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 6995 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6995 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 6995 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 6995 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 6995 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 6995 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 6995 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6995 GDP 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 6995 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 13.635 . 17.027 . 28.402 . -1.117 -0.328 5.957 1 . 6995 GDP O1B . O1B . . O . . N 0 . . . . no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 6995 GDP O2B . O2B . . O . . N 0 . . . . no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 6995 GDP O3B . O3B . . O . . N 0 . . . . no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 6995 GDP O3A . O3A . . O . . N 0 . . . . no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 6995 GDP PA . PA . . P . . S 0 . . . . no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 6995 GDP O1A . O1A . . O . . N 0 . . . . no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 6995 GDP O2A . O2A . . O . . N 0 . . . . no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 6995 GDP O5' . O5' . . O . . N 0 . . . . no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 6995 GDP C5' . C5' . . C . . N 0 . . . . no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 6995 GDP C4' . C4' . . C . . R 0 . . . . no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 6995 GDP O4' . O4' . . O . . N 0 . . . . no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 6995 GDP C3' . C3' . . C . . S 0 . . . . no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 6995 GDP O3' . O3' . . O . . N 0 . . . . no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 6995 GDP C2' . C2' . . C . . R 0 . . . . no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 6995 GDP O2' . O2' . . O . . N 0 . . . . no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 6995 GDP C1' . C1' . . C . . R 0 . . . . no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 6995 GDP N9 . N9 . . N . . N 0 . . . . yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 6995 GDP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 6995 GDP N7 . N7 . . N . . N 0 . . . . yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 6995 GDP C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 6995 GDP C6 . C6 . . C . . N 0 . . . . no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 6995 GDP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 6995 GDP N1 . N1 . . N . . N 0 . . . . no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 6995 GDP C2 . C2 . . C . . N 0 . . . . no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 6995 GDP N2 . N2 . . N . . N 0 . . . . no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 6995 GDP N3 . N3 . . N . . N 0 . . . . no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 6995 GDP C4 . C4 . . C . . N 0 . . . . yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 6995 GDP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 6995 GDP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 6995 GDP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 6995 GDP H5' . H5' . . H . . N 0 . . . . no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 6995 GDP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 6995 GDP H4' . H4' . . H . . N 0 . . . . no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 6995 GDP H3' . H3' . . H . . N 0 . . . . no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 6995 GDP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 6995 GDP H2' . H2' . . H . . N 0 . . . . no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 6995 GDP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 6995 GDP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 6995 GDP H8 . H8 . . H . . N 0 . . . . no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 6995 GDP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 6995 GDP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 6995 GDP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 6995 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 6995 GDP 2 . SING PB O2B no N 2 . 6995 GDP 3 . SING PB O3B no N 3 . 6995 GDP 4 . SING PB O3A no N 4 . 6995 GDP 5 . SING O2B HOB2 no N 5 . 6995 GDP 6 . SING O3B HOB3 no N 6 . 6995 GDP 7 . SING O3A PA no N 7 . 6995 GDP 8 . DOUB PA O1A no N 8 . 6995 GDP 9 . SING PA O2A no N 9 . 6995 GDP 10 . SING PA O5' no N 10 . 6995 GDP 11 . SING O2A HOA2 no N 11 . 6995 GDP 12 . SING O5' C5' no N 12 . 6995 GDP 13 . SING C5' C4' no N 13 . 6995 GDP 14 . SING C5' H5' no N 14 . 6995 GDP 15 . SING C5' H5'' no N 15 . 6995 GDP 16 . SING C4' O4' no N 16 . 6995 GDP 17 . SING C4' C3' no N 17 . 6995 GDP 18 . SING C4' H4' no N 18 . 6995 GDP 19 . SING O4' C1' no N 19 . 6995 GDP 20 . SING C3' O3' no N 20 . 6995 GDP 21 . SING C3' C2' no N 21 . 6995 GDP 22 . SING C3' H3' no N 22 . 6995 GDP 23 . SING O3' HO3' no N 23 . 6995 GDP 24 . SING C2' O2' no N 24 . 6995 GDP 25 . SING C2' C1' no N 25 . 6995 GDP 26 . SING C2' H2' no N 26 . 6995 GDP 27 . SING O2' HO2' no N 27 . 6995 GDP 28 . SING C1' N9 no N 28 . 6995 GDP 29 . SING C1' H1' no N 29 . 6995 GDP 30 . SING N9 C8 yes N 30 . 6995 GDP 31 . SING N9 C4 yes N 31 . 6995 GDP 32 . DOUB C8 N7 yes N 32 . 6995 GDP 33 . SING C8 H8 no N 33 . 6995 GDP 34 . SING N7 C5 yes N 34 . 6995 GDP 35 . SING C5 C6 no N 35 . 6995 GDP 36 . DOUB C5 C4 yes N 36 . 6995 GDP 37 . DOUB C6 O6 no N 37 . 6995 GDP 38 . SING C6 N1 no N 38 . 6995 GDP 39 . SING N1 C2 no N 39 . 6995 GDP 40 . SING N1 HN1 no N 40 . 6995 GDP 41 . SING C2 N2 no N 41 . 6995 GDP 42 . DOUB C2 N3 no N 42 . 6995 GDP 43 . SING N2 HN21 no N 43 . 6995 GDP 44 . SING N2 HN22 no N 44 . 6995 GDP 45 . SING N3 C4 no N 45 . 6995 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6995 _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 IF2G2 '[U-13C; U-15N]' . . 1 $GTPase_domain_from_IF2 . protein 0.6 . . mM 0.2 . . . 6995 1 2 'potassium phosphate' . . . . . . buffer 20 . . mM 2 . . . 6995 1 3 'potassiumm chloride' . . . . . . salt 150 . . mM 5 . . . 6995 1 4 DTT . . . . . . 'reducing agent' 1 . . mM 0.1 . . . 6995 1 5 GDP . . . . . . additive 1 . . mM 0.1 . . . 6995 1 6 MgCl2 . . . . . . salt 5 . . mM 0.2 . . . 6995 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6995 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 6.5, temperature 315K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6995 1 temperature 315 0.2 K 6995 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6995 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID bruker . . 6995 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data acquisitiuon' 6995 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6995 _Software.ID 2 _Software.Name nmrPipe/draw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6995 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6995 2 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 6995 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Merk . . 6995 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra analysis' 6995 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Bruker AVANCE 600, TXI probe with z gradients ; _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6995 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; Bruker AVANCE 600, cryo probe with z gradients ; _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6995 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details ; Bruker AVANCE 900, TXI probe with z gradients ; _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6995 _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 15N_HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 2 13C_HSQC-CT no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 3 13C_HSQC-CT-aroma no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 4 HNCA no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 5 HNCOCA no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 6 HNCO no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 7 HCCCONH-TOCSY no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 8 hCCCONH-TOCSY no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 9 hCCH-TOCSY no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 10 NOE-15N_HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 11 NOE-13C_HSQC no . . . . . . . . . . 1 $sample_2 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6995 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm . . indirect 0.25144954 . . . 1 $entry_citation . . 1 $entry_citation 6995 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6995 1 N 15 TSP 'methyl protons' . . . . ppm . . indirect 0.10132900 . . . 1 $entry_citation . . 1 $entry_citation 6995 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 . 15N_HSQC 1 $sample_2 isotropic 6995 1 . 13C_HSQC-CT 1 $sample_2 isotropic 6995 1 . 13C_HSQC-CT-aroma 1 $sample_2 isotropic 6995 1 . HNCA 1 $sample_2 isotropic 6995 1 . HNCOCA 1 $sample_2 isotropic 6995 1 . HNCO 1 $sample_2 isotropic 6995 1 . HCCCONH-TOCSY 1 $sample_2 isotropic 6995 1 . hCCCONH-TOCSY 1 $sample_2 isotropic 6995 1 . hCCH-TOCSY 1 $sample_2 isotropic 6995 1 . NOE-13C_HSQC 1 $sample_2 isotropic 6995 1 . NOE-15N_HSQC 1 $sample_2 isotropic 6995 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 GLY HA3 H 1 3.93 0.01 . 2 . . . . 1 GLY HA3 . 6995 1 2 . 1 1 1 1 GLY CA C 13 43.34 0.1 . 1 . . . . 1 GLY CA . 6995 1 3 . 1 1 4 4 MET HA H 1 4.50 0.01 . 1 . . . . 4 MET HA . 6995 1 4 . 1 1 4 4 MET HB2 H 1 2.53 0.01 . 2 . . . . 4 MET HB2 . 6995 1 5 . 1 1 4 4 MET HG2 H 1 2.09 0.01 . 2 . . . . 4 MET HG2 . 6995 1 6 . 1 1 4 4 MET HG3 H 1 2.03 0.01 . 2 . . . . 4 MET HG3 . 6995 1 7 . 1 1 4 4 MET C C 13 175.67 0.1 . 1 . . . . 4 MET C . 6995 1 8 . 1 1 4 4 MET CA C 13 55.68 0.1 . 1 . . . . 4 MET CA . 6995 1 9 . 1 1 4 4 MET CB C 13 32.05 0.1 . 1 . . . . 4 MET CB . 6995 1 10 . 1 1 4 4 MET CG C 13 33.16 0.1 . 1 . . . . 4 MET CG . 6995 1 11 . 1 1 5 5 VAL H H 1 8.09 0.01 . 1 . . . . 5 VAL H . 6995 1 12 . 1 1 5 5 VAL HA H 1 4.16 0.01 . 1 . . . . 5 VAL HA . 6995 1 13 . 1 1 5 5 VAL HB H 1 2.09 0.01 . 1 . . . . 5 VAL HB . 6995 1 14 . 1 1 5 5 VAL HG11 H 1 0.96 0.01 . 2 . . . . 5 VAL HG1 . 6995 1 15 . 1 1 5 5 VAL HG12 H 1 0.96 0.01 . 2 . . . . 5 VAL HG1 . 6995 1 16 . 1 1 5 5 VAL HG13 H 1 0.96 0.01 . 2 . . . . 5 VAL HG1 . 6995 1 17 . 1 1 5 5 VAL C C 13 175.63 0.1 . 1 . . . . 5 VAL C . 6995 1 18 . 1 1 5 5 VAL CA C 13 62.10 0.1 . 1 . . . . 5 VAL CA . 6995 1 19 . 1 1 5 5 VAL CB C 13 32.77 0.1 . 1 . . . . 5 VAL CB . 6995 1 20 . 1 1 5 5 VAL CG1 C 13 20.97 0.1 . 2 . . . . 5 VAL CG1 . 6995 1 21 . 1 1 5 5 VAL N N 15 122.23 0.1 . 1 . . . . 5 VAL N . 6995 1 22 . 1 1 6 6 GLU H H 1 8.49 0.01 . 1 . . . . 6 GLU H . 6995 1 23 . 1 1 6 6 GLU N N 15 126.17 0.1 . 1 . . . . 6 GLU N . 6995 1 24 . 1 1 10 10 VAL HA H 1 4.52 0.01 . 1 . . . . 10 VAL HA . 6995 1 25 . 1 1 10 10 VAL HB H 1 2.04 0.01 . 1 . . . . 10 VAL HB . 6995 1 26 . 1 1 10 10 VAL HG11 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 6995 1 27 . 1 1 10 10 VAL HG12 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 6995 1 28 . 1 1 10 10 VAL HG13 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 6995 1 29 . 1 1 10 10 VAL CA C 13 61.53 0.1 . 1 . . . . 10 VAL CA . 6995 1 30 . 1 1 10 10 VAL CB C 13 33.19 0.1 . 1 . . . . 10 VAL CB . 6995 1 31 . 1 1 10 10 VAL CG1 C 13 21.79 0.1 . 2 . . . . 10 VAL CG1 . 6995 1 32 . 1 1 11 11 VAL HA H 1 4.94 0.01 . 1 . . . . 11 VAL HA . 6995 1 33 . 1 1 11 11 VAL HB H 1 1.43 0.01 . 1 . . . . 11 VAL HB . 6995 1 34 . 1 1 11 11 VAL HG11 H 1 0.75 0.01 . 2 . . . . 11 VAL HG1 . 6995 1 35 . 1 1 11 11 VAL HG12 H 1 0.75 0.01 . 2 . . . . 11 VAL HG1 . 6995 1 36 . 1 1 11 11 VAL HG13 H 1 0.75 0.01 . 2 . . . . 11 VAL HG1 . 6995 1 37 . 1 1 11 11 VAL HG21 H 1 0.37 0.01 . 2 . . . . 11 VAL HG2 . 6995 1 38 . 1 1 11 11 VAL HG22 H 1 0.37 0.01 . 2 . . . . 11 VAL HG2 . 6995 1 39 . 1 1 11 11 VAL HG23 H 1 0.37 0.01 . 2 . . . . 11 VAL HG2 . 6995 1 40 . 1 1 11 11 VAL CA C 13 60.42 0.1 . 1 . . . . 11 VAL CA . 6995 1 41 . 1 1 11 11 VAL CB C 13 33.17 0.1 . 1 . . . . 11 VAL CB . 6995 1 42 . 1 1 11 11 VAL CG1 C 13 22.61 0.1 . 2 . . . . 11 VAL CG1 . 6995 1 43 . 1 1 11 11 VAL CG2 C 13 21.49 0.1 . 2 . . . . 11 VAL CG2 . 6995 1 44 . 1 1 13 13 ILE HA H 1 4.83 0.01 . 1 . . . . 13 ILE HA . 6995 1 45 . 1 1 13 13 ILE HB H 1 2.02 0.01 . 1 . . . . 13 ILE HB . 6995 1 46 . 1 1 13 13 ILE HG12 H 1 1.85 0.01 . 2 . . . . 13 ILE HG12 . 6995 1 47 . 1 1 13 13 ILE HG21 H 1 1.03 0.01 . 1 . . . . 13 ILE HG2 . 6995 1 48 . 1 1 13 13 ILE HG22 H 1 1.03 0.01 . 1 . . . . 13 ILE HG2 . 6995 1 49 . 1 1 13 13 ILE HG23 H 1 1.03 0.01 . 1 . . . . 13 ILE HG2 . 6995 1 50 . 1 1 13 13 ILE HD11 H 1 0.92 0.01 . 1 . . . . 13 ILE HD1 . 6995 1 51 . 1 1 13 13 ILE HD12 H 1 0.92 0.01 . 1 . . . . 13 ILE HD1 . 6995 1 52 . 1 1 13 13 ILE HD13 H 1 0.92 0.01 . 1 . . . . 13 ILE HD1 . 6995 1 53 . 1 1 13 13 ILE C C 13 174.82 0.1 . 1 . . . . 13 ILE C . 6995 1 54 . 1 1 13 13 ILE CA C 13 61.00 0.1 . 1 . . . . 13 ILE CA . 6995 1 55 . 1 1 13 13 ILE CB C 13 38.18 0.1 . 1 . . . . 13 ILE CB . 6995 1 56 . 1 1 13 13 ILE CG1 C 13 28.53 0.1 . 1 . . . . 13 ILE CG1 . 6995 1 57 . 1 1 13 13 ILE CG2 C 13 19.24 0.1 . 1 . . . . 13 ILE CG2 . 6995 1 58 . 1 1 13 13 ILE CD1 C 13 13.49 0.1 . 1 . . . . 13 ILE CD1 . 6995 1 59 . 1 1 14 14 MET H H 1 9.26 0.01 . 1 . . . . 14 MET H . 6995 1 60 . 1 1 14 14 MET HA H 1 4.98 0.01 . 1 . . . . 14 MET HA . 6995 1 61 . 1 1 14 14 MET HB2 H 1 2.30 0.01 . 2 . . . . 14 MET HB2 . 6995 1 62 . 1 1 14 14 MET HB3 H 1 1.53 0.01 . 2 . . . . 14 MET HB3 . 6995 1 63 . 1 1 14 14 MET HG2 H 1 2.42 0.01 . 2 . . . . 14 MET HG2 . 6995 1 64 . 1 1 14 14 MET HE1 H 1 1.84 0.01 . 1 . . . . 14 MET HE . 6995 1 65 . 1 1 14 14 MET HE2 H 1 1.84 0.01 . 1 . . . . 14 MET HE . 6995 1 66 . 1 1 14 14 MET HE3 H 1 1.84 0.01 . 1 . . . . 14 MET HE . 6995 1 67 . 1 1 14 14 MET C C 13 174.14 0.1 . 1 . . . . 14 MET C . 6995 1 68 . 1 1 14 14 MET CA C 13 54.76 0.1 . 1 . . . . 14 MET CA . 6995 1 69 . 1 1 14 14 MET CB C 13 38.89 0.1 . 1 . . . . 14 MET CB . 6995 1 70 . 1 1 14 14 MET CG C 13 33.69 0.1 . 1 . . . . 14 MET CG . 6995 1 71 . 1 1 14 14 MET CE C 13 17.76 0.1 . 1 . . . . 14 MET CE . 6995 1 72 . 1 1 14 14 MET N N 15 125.64 0.1 . 1 . . . . 14 MET N . 6995 1 73 . 1 1 15 15 GLY H H 1 8.84 0.01 . 1 . . . . 15 GLY H . 6995 1 74 . 1 1 15 15 GLY HA2 H 1 3.48 0.01 . 2 . . . . 15 GLY HA2 . 6995 1 75 . 1 1 15 15 GLY HA3 H 1 5.06 0.01 . 2 . . . . 15 GLY HA3 . 6995 1 76 . 1 1 15 15 GLY C C 13 172.10 0.1 . 1 . . . . 15 GLY C . 6995 1 77 . 1 1 15 15 GLY CA C 13 44.00 0.1 . 1 . . . . 15 GLY CA . 6995 1 78 . 1 1 15 15 GLY N N 15 106.92 0.1 . 1 . . . . 15 GLY N . 6995 1 79 . 1 1 16 16 HIS H H 1 9.13 0.01 . 1 . . . . 16 HIS H . 6995 1 80 . 1 1 16 16 HIS HA H 1 4.37 0.01 . 1 . . . . 16 HIS HA . 6995 1 81 . 1 1 16 16 HIS HB2 H 1 2.63 0.01 . 2 . . . . 16 HIS HB2 . 6995 1 82 . 1 1 16 16 HIS HB3 H 1 1.33 0.01 . 2 . . . . 16 HIS HB3 . 6995 1 83 . 1 1 16 16 HIS HD2 H 1 7.28 0.01 . 1 . . . . 16 HIS HD2 . 6995 1 84 . 1 1 16 16 HIS HE1 H 1 7.94 0.01 . 1 . . . . 16 HIS HE1 . 6995 1 85 . 1 1 16 16 HIS C C 13 174.03 0.1 . 1 . . . . 16 HIS C . 6995 1 86 . 1 1 16 16 HIS CA C 13 57.40 0.1 . 1 . . . . 16 HIS CA . 6995 1 87 . 1 1 16 16 HIS CB C 13 31.11 0.1 . 1 . . . . 16 HIS CB . 6995 1 88 . 1 1 16 16 HIS CD2 C 13 121.34 0.1 . 1 . . . . 16 HIS CD2 . 6995 1 89 . 1 1 16 16 HIS CE1 C 13 138.03 0.1 . 1 . . . . 16 HIS CE1 . 6995 1 90 . 1 1 16 16 HIS N N 15 123.42 0.1 . 1 . . . . 16 HIS N . 6995 1 91 . 1 1 16 16 HIS ND1 N 15 249.50 0.1 . 1 . . . . 16 HIS ND1 . 6995 1 92 . 1 1 16 16 HIS NE2 N 15 164.70 0.1 . 1 . . . . 16 HIS NE2 . 6995 1 93 . 1 1 17 17 VAL H H 1 6.51 0.01 . 1 . . . . 17 VAL H . 6995 1 94 . 1 1 17 17 VAL HA H 1 3.82 0.01 . 1 . . . . 17 VAL HA . 6995 1 95 . 1 1 17 17 VAL HB H 1 1.92 0.01 . 1 . . . . 17 VAL HB . 6995 1 96 . 1 1 17 17 VAL HG11 H 1 1.04 0.01 . 2 . . . . 17 VAL HG1 . 6995 1 97 . 1 1 17 17 VAL HG12 H 1 1.04 0.01 . 2 . . . . 17 VAL HG1 . 6995 1 98 . 1 1 17 17 VAL HG13 H 1 1.04 0.01 . 2 . . . . 17 VAL HG1 . 6995 1 99 . 1 1 17 17 VAL HG21 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 6995 1 100 . 1 1 17 17 VAL HG22 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 6995 1 101 . 1 1 17 17 VAL HG23 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 6995 1 102 . 1 1 17 17 VAL C C 13 173.42 0.1 . 1 . . . . 17 VAL C . 6995 1 103 . 1 1 17 17 VAL CA C 13 63.26 0.1 . 1 . . . . 17 VAL CA . 6995 1 104 . 1 1 17 17 VAL CB C 13 31.66 0.1 . 1 . . . . 17 VAL CB . 6995 1 105 . 1 1 17 17 VAL CG1 C 13 21.83 0.1 . 2 . . . . 17 VAL CG1 . 6995 1 106 . 1 1 17 17 VAL CG2 C 13 18.94 0.1 . 2 . . . . 17 VAL CG2 . 6995 1 107 . 1 1 17 17 VAL N N 15 127.41 0.1 . 1 . . . . 17 VAL N . 6995 1 108 . 1 1 18 18 ASP H H 1 10.16 0.01 . 1 . . . . 18 ASP H . 6995 1 109 . 1 1 18 18 ASP HA H 1 4.70 0.01 . 1 . . . . 18 ASP HA . 6995 1 110 . 1 1 18 18 ASP HB2 H 1 3.18 0.01 . 2 . . . . 18 ASP HB2 . 6995 1 111 . 1 1 18 18 ASP HB3 H 1 3.08 0.01 . 2 . . . . 18 ASP HB3 . 6995 1 112 . 1 1 18 18 ASP C C 13 176.69 0.1 . 1 . . . . 18 ASP C . 6995 1 113 . 1 1 18 18 ASP CA C 13 56.12 0.1 . 1 . . . . 18 ASP CA . 6995 1 114 . 1 1 18 18 ASP CB C 13 41.00 0.1 . 1 . . . . 18 ASP CB . 6995 1 115 . 1 1 18 18 ASP N N 15 123.35 0.1 . 1 . . . . 18 ASP N . 6995 1 116 . 1 1 19 19 HIS H H 1 8.41 0.01 . 1 . . . . 19 HIS H . 6995 1 117 . 1 1 19 19 HIS HA H 1 4.48 0.01 . 1 . . . . 19 HIS HA . 6995 1 118 . 1 1 19 19 HIS HB2 H 1 3.44 0.01 . 2 . . . . 19 HIS HB2 . 6995 1 119 . 1 1 19 19 HIS HB3 H 1 2.96 0.01 . 2 . . . . 19 HIS HB3 . 6995 1 120 . 1 1 19 19 HIS HD2 H 1 7.08 0.01 . 1 . . . . 19 HIS HD2 . 6995 1 121 . 1 1 19 19 HIS HE1 H 1 8.61 0.01 . 1 . . . . 19 HIS HE1 . 6995 1 122 . 1 1 19 19 HIS HE2 H 1 13.10 0.01 . 1 . . . . 19 HIS HE2 . 6995 1 123 . 1 1 19 19 HIS C C 13 174.54 0.1 . 1 . . . . 19 HIS C . 6995 1 124 . 1 1 19 19 HIS CA C 13 58.86 0.1 . 1 . . . . 19 HIS CA . 6995 1 125 . 1 1 19 19 HIS CB C 13 30.62 0.1 . 1 . . . . 19 HIS CB . 6995 1 126 . 1 1 19 19 HIS CD2 C 13 117.69 0.1 . 1 . . . . 19 HIS CD2 . 6995 1 127 . 1 1 19 19 HIS CE1 C 13 139.33 0.1 . 1 . . . . 19 HIS CE1 . 6995 1 128 . 1 1 19 19 HIS N N 15 121.20 0.1 . 1 . . . . 19 HIS N . 6995 1 129 . 1 1 19 19 HIS ND1 N 15 243.30 0.1 . 1 . . . . 19 HIS ND1 . 6995 1 130 . 1 1 19 19 HIS NE2 N 15 168.60 0.1 . 1 . . . . 19 HIS NE2 . 6995 1 131 . 1 1 20 20 GLY H H 1 8.83 0.01 . 1 . . . . 20 GLY H . 6995 1 132 . 1 1 20 20 GLY HA2 H 1 4.18 0.01 . 2 . . . . 20 GLY HA2 . 6995 1 133 . 1 1 20 20 GLY HA3 H 1 4.38 0.01 . 2 . . . . 20 GLY HA3 . 6995 1 134 . 1 1 20 20 GLY C C 13 173.40 0.1 . 1 . . . . 20 GLY C . 6995 1 135 . 1 1 20 20 GLY CA C 13 46.76 0.1 . 1 . . . . 20 GLY CA . 6995 1 136 . 1 1 20 20 GLY N N 15 109.54 0.1 . 1 . . . . 20 GLY N . 6995 1 137 . 1 1 21 21 LYS H H 1 10.53 0.01 . 1 . . . . 21 LYS H . 6995 1 138 . 1 1 21 21 LYS N N 15 125.24 0.1 . 1 . . . . 21 LYS N . 6995 1 139 . 1 1 22 22 THR HA H 1 3.86 0.01 . 1 . . . . 22 THR HA . 6995 1 140 . 1 1 22 22 THR HB H 1 4.52 0.01 . 1 . . . . 22 THR HB . 6995 1 141 . 1 1 22 22 THR HG21 H 1 1.28 0.01 . 1 . . . . 22 THR HG2 . 6995 1 142 . 1 1 22 22 THR HG22 H 1 1.28 0.01 . 1 . . . . 22 THR HG2 . 6995 1 143 . 1 1 22 22 THR HG23 H 1 1.28 0.01 . 1 . . . . 22 THR HG2 . 6995 1 144 . 1 1 22 22 THR C C 13 176.70 0.1 . 1 . . . . 22 THR C . 6995 1 145 . 1 1 22 22 THR CA C 13 67.28 0.1 . 1 . . . . 22 THR CA . 6995 1 146 . 1 1 22 22 THR CB C 13 68.37 0.1 . 1 . . . . 22 THR CB . 6995 1 147 . 1 1 22 22 THR CG2 C 13 21.34 0.1 . 1 . . . . 22 THR CG2 . 6995 1 148 . 1 1 23 23 THR H H 1 9.11 0.01 . 1 . . . . 23 THR H . 6995 1 149 . 1 1 23 23 THR HA H 1 3.82 0.01 . 1 . . . . 23 THR HA . 6995 1 150 . 1 1 23 23 THR HB H 1 4.05 0.01 . 1 . . . . 23 THR HB . 6995 1 151 . 1 1 23 23 THR HG21 H 1 0.82 0.01 . 1 . . . . 23 THR HG2 . 6995 1 152 . 1 1 23 23 THR HG22 H 1 0.82 0.01 . 1 . . . . 23 THR HG2 . 6995 1 153 . 1 1 23 23 THR HG23 H 1 0.82 0.01 . 1 . . . . 23 THR HG2 . 6995 1 154 . 1 1 23 23 THR C C 13 176.58 0.1 . 1 . . . . 23 THR C . 6995 1 155 . 1 1 23 23 THR CA C 13 67.25 0.1 . 1 . . . . 23 THR CA . 6995 1 156 . 1 1 23 23 THR CB C 13 67.72 0.1 . 1 . . . . 23 THR CB . 6995 1 157 . 1 1 23 23 THR CG2 C 13 20.57 0.1 . 1 . . . . 23 THR CG2 . 6995 1 158 . 1 1 23 23 THR N N 15 121.83 0.1 . 1 . . . . 23 THR N . 6995 1 159 . 1 1 24 24 LEU H H 1 8.54 0.01 . 1 . . . . 24 LEU H . 6995 1 160 . 1 1 24 24 LEU HA H 1 3.99 0.01 . 1 . . . . 24 LEU HA . 6995 1 161 . 1 1 24 24 LEU HB2 H 1 1.43 0.01 . 2 . . . . 24 LEU HB2 . 6995 1 162 . 1 1 24 24 LEU HB3 H 1 2.17 0.01 . 2 . . . . 24 LEU HB3 . 6995 1 163 . 1 1 24 24 LEU HD11 H 1 0.80 0.01 . 2 . . . . 24 LEU HD1 . 6995 1 164 . 1 1 24 24 LEU HD12 H 1 0.80 0.01 . 2 . . . . 24 LEU HD1 . 6995 1 165 . 1 1 24 24 LEU HD13 H 1 0.80 0.01 . 2 . . . . 24 LEU HD1 . 6995 1 166 . 1 1 24 24 LEU HD21 H 1 0.74 0.01 . 2 . . . . 24 LEU HD2 . 6995 1 167 . 1 1 24 24 LEU HD22 H 1 0.74 0.01 . 2 . . . . 24 LEU HD2 . 6995 1 168 . 1 1 24 24 LEU HD23 H 1 0.74 0.01 . 2 . . . . 24 LEU HD2 . 6995 1 169 . 1 1 24 24 LEU C C 13 177.28 0.1 . 1 . . . . 24 LEU C . 6995 1 170 . 1 1 24 24 LEU CA C 13 58.60 0.1 . 1 . . . . 24 LEU CA . 6995 1 171 . 1 1 24 24 LEU CB C 13 41.01 0.1 . 1 . . . . 24 LEU CB . 6995 1 172 . 1 1 24 24 LEU CD1 C 13 24.50 0.1 . 2 . . . . 24 LEU CD1 . 6995 1 173 . 1 1 24 24 LEU CD2 C 13 26.09 0.1 . 2 . . . . 24 LEU CD2 . 6995 1 174 . 1 1 24 24 LEU N N 15 125.16 0.1 . 1 . . . . 24 LEU N . 6995 1 175 . 1 1 25 25 LEU H H 1 8.17 0.01 . 1 . . . . 25 LEU H . 6995 1 176 . 1 1 25 25 LEU HA H 1 3.76 0.01 . 1 . . . . 25 LEU HA . 6995 1 177 . 1 1 25 25 LEU HB2 H 1 1.91 0.01 . 2 . . . . 25 LEU HB2 . 6995 1 178 . 1 1 25 25 LEU HD11 H 1 0.97 0.01 . 2 . . . . 25 LEU HD1 . 6995 1 179 . 1 1 25 25 LEU HD12 H 1 0.97 0.01 . 2 . . . . 25 LEU HD1 . 6995 1 180 . 1 1 25 25 LEU HD13 H 1 0.97 0.01 . 2 . . . . 25 LEU HD1 . 6995 1 181 . 1 1 25 25 LEU HD21 H 1 0.80 0.01 . 2 . . . . 25 LEU HD2 . 6995 1 182 . 1 1 25 25 LEU HD22 H 1 0.80 0.01 . 2 . . . . 25 LEU HD2 . 6995 1 183 . 1 1 25 25 LEU HD23 H 1 0.80 0.01 . 2 . . . . 25 LEU HD2 . 6995 1 184 . 1 1 25 25 LEU C C 13 179.22 0.1 . 1 . . . . 25 LEU C . 6995 1 185 . 1 1 25 25 LEU CA C 13 58.28 0.1 . 1 . . . . 25 LEU CA . 6995 1 186 . 1 1 25 25 LEU CB C 13 41.51 0.1 . 1 . . . . 25 LEU CB . 6995 1 187 . 1 1 25 25 LEU CG C 13 27.56 0.1 . 1 . . . . 25 LEU CG . 6995 1 188 . 1 1 25 25 LEU CD1 C 13 25.41 0.1 . 2 . . . . 25 LEU CD1 . 6995 1 189 . 1 1 25 25 LEU CD2 C 13 24.10 0.1 . 2 . . . . 25 LEU CD2 . 6995 1 190 . 1 1 25 25 LEU N N 15 121.20 0.1 . 1 . . . . 25 LEU N . 6995 1 191 . 1 1 26 26 ASP H H 1 8.63 0.01 . 1 . . . . 26 ASP H . 6995 1 192 . 1 1 26 26 ASP HA H 1 4.21 0.01 . 1 . . . . 26 ASP HA . 6995 1 193 . 1 1 26 26 ASP HB2 H 1 2.76 0.01 . 2 . . . . 26 ASP HB2 . 6995 1 194 . 1 1 26 26 ASP HB3 H 1 2.56 0.01 . 2 . . . . 26 ASP HB3 . 6995 1 195 . 1 1 26 26 ASP C C 13 177.84 0.1 . 1 . . . . 26 ASP C . 6995 1 196 . 1 1 26 26 ASP CA C 13 57.31 0.1 . 1 . . . . 26 ASP CA . 6995 1 197 . 1 1 26 26 ASP CB C 13 40.46 0.1 . 1 . . . . 26 ASP CB . 6995 1 198 . 1 1 26 26 ASP N N 15 120.64 0.1 . 1 . . . . 26 ASP N . 6995 1 199 . 1 1 27 27 ALA H H 1 8.36 0.01 . 1 . . . . 27 ALA H . 6995 1 200 . 1 1 27 27 ALA HA H 1 4.10 0.01 . 1 . . . . 27 ALA HA . 6995 1 201 . 1 1 27 27 ALA HB1 H 1 1.61 0.01 . 1 . . . . 27 ALA HB . 6995 1 202 . 1 1 27 27 ALA HB2 H 1 1.61 0.01 . 1 . . . . 27 ALA HB . 6995 1 203 . 1 1 27 27 ALA HB3 H 1 1.61 0.01 . 1 . . . . 27 ALA HB . 6995 1 204 . 1 1 27 27 ALA C C 13 180.60 0.1 . 1 . . . . 27 ALA C . 6995 1 205 . 1 1 27 27 ALA CA C 13 55.02 0.1 . 1 . . . . 27 ALA CA . 6995 1 206 . 1 1 27 27 ALA CB C 13 18.47 0.1 . 1 . . . . 27 ALA CB . 6995 1 207 . 1 1 27 27 ALA N N 15 124.40 0.1 . 1 . . . . 27 ALA N . 6995 1 208 . 1 1 28 28 ILE H H 1 8.04 0.01 . 1 . . . . 28 ILE H . 6995 1 209 . 1 1 28 28 ILE HA H 1 3.35 0.01 . 1 . . . . 28 ILE HA . 6995 1 210 . 1 1 28 28 ILE HB H 1 1.71 0.01 . 1 . . . . 28 ILE HB . 6995 1 211 . 1 1 28 28 ILE HG12 H 1 0.61 0.01 . 2 . . . . 28 ILE HG12 . 6995 1 212 . 1 1 28 28 ILE HG21 H 1 0.38 0.01 . 1 . . . . 28 ILE HG2 . 6995 1 213 . 1 1 28 28 ILE HG22 H 1 0.38 0.01 . 1 . . . . 28 ILE HG2 . 6995 1 214 . 1 1 28 28 ILE HG23 H 1 0.38 0.01 . 1 . . . . 28 ILE HG2 . 6995 1 215 . 1 1 28 28 ILE HD11 H 1 0.32 0.01 . 1 . . . . 28 ILE HD1 . 6995 1 216 . 1 1 28 28 ILE HD12 H 1 0.32 0.01 . 1 . . . . 28 ILE HD1 . 6995 1 217 . 1 1 28 28 ILE HD13 H 1 0.32 0.01 . 1 . . . . 28 ILE HD1 . 6995 1 218 . 1 1 28 28 ILE CA C 13 66.03 0.1 . 1 . . . . 28 ILE CA . 6995 1 219 . 1 1 28 28 ILE CB C 13 38.18 0.1 . 1 . . . . 28 ILE CB . 6995 1 220 . 1 1 28 28 ILE CG1 C 13 30.02 0.1 . 1 . . . . 28 ILE CG1 . 6995 1 221 . 1 1 28 28 ILE CG2 C 13 17.35 0.1 . 1 . . . . 28 ILE CG2 . 6995 1 222 . 1 1 28 28 ILE CD1 C 13 13.24 0.1 . 1 . . . . 28 ILE CD1 . 6995 1 223 . 1 1 28 28 ILE N N 15 120.22 0.1 . 1 . . . . 28 ILE N . 6995 1 224 . 1 1 29 29 ARG HA H 1 3.69 0.01 . 1 . . . . 29 ARG HA . 6995 1 225 . 1 1 29 29 ARG HB2 H 1 1.35 0.01 . 2 . . . . 29 ARG HB2 . 6995 1 226 . 1 1 29 29 ARG HB3 H 1 1.47 0.01 . 2 . . . . 29 ARG HB3 . 6995 1 227 . 1 1 29 29 ARG HG2 H 1 1.12 0.01 . 2 . . . . 29 ARG HG2 . 6995 1 228 . 1 1 29 29 ARG HD2 H 1 2.49 0.01 . 2 . . . . 29 ARG HD2 . 6995 1 229 . 1 1 29 29 ARG C C 13 177.19 0.1 . 1 . . . . 29 ARG C . 6995 1 230 . 1 1 29 29 ARG CA C 13 58.45 0.1 . 1 . . . . 29 ARG CA . 6995 1 231 . 1 1 29 29 ARG CB C 13 30.03 0.1 . 1 . . . . 29 ARG CB . 6995 1 232 . 1 1 29 29 ARG CG C 13 26.89 0.1 . 1 . . . . 29 ARG CG . 6995 1 233 . 1 1 29 29 ARG CD C 13 43.34 0.1 . 1 . . . . 29 ARG CD . 6995 1 234 . 1 1 30 30 HIS H H 1 7.84 0.01 . 1 . . . . 30 HIS H . 6995 1 235 . 1 1 30 30 HIS HA H 1 4.66 0.01 . 1 . . . . 30 HIS HA . 6995 1 236 . 1 1 30 30 HIS HB2 H 1 3.39 0.01 . 2 . . . . 30 HIS HB2 . 6995 1 237 . 1 1 30 30 HIS HB3 H 1 3.07 0.01 . 2 . . . . 30 HIS HB3 . 6995 1 238 . 1 1 30 30 HIS HD2 H 1 7.20 0.01 . 1 . . . . 30 HIS HD2 . 6995 1 239 . 1 1 30 30 HIS C C 13 175.86 0.1 . 1 . . . . 30 HIS C . 6995 1 240 . 1 1 30 30 HIS CA C 13 56.77 0.1 . 1 . . . . 30 HIS CA . 6995 1 241 . 1 1 30 30 HIS CB C 13 29.21 0.1 . 1 . . . . 30 HIS CB . 6995 1 242 . 1 1 30 30 HIS CD2 C 13 119.94 0.1 . 1 . . . . 30 HIS CD2 . 6995 1 243 . 1 1 30 30 HIS N N 15 115.39 0.1 . 1 . . . . 30 HIS N . 6995 1 244 . 1 1 31 31 SER H H 1 7.71 0.01 . 1 . . . . 31 SER H . 6995 1 245 . 1 1 31 31 SER HA H 1 4.54 0.01 . 1 . . . . 31 SER HA . 6995 1 246 . 1 1 31 31 SER HB2 H 1 3.98 0.01 . 2 . . . . 31 SER HB2 . 6995 1 247 . 1 1 31 31 SER C C 13 174.35 0.1 . 1 . . . . 31 SER C . 6995 1 248 . 1 1 31 31 SER CA C 13 59.74 0.1 . 1 . . . . 31 SER CA . 6995 1 249 . 1 1 31 31 SER CB C 13 64.28 0.1 . 1 . . . . 31 SER CB . 6995 1 250 . 1 1 31 31 SER N N 15 115.48 0.1 . 1 . . . . 31 SER N . 6995 1 251 . 1 1 32 32 LYS H H 1 7.88 0.01 . 1 . . . . 32 LYS H . 6995 1 252 . 1 1 32 32 LYS HA H 1 4.66 0.01 . 1 . . . . 32 LYS HA . 6995 1 253 . 1 1 32 32 LYS HB2 H 1 1.49 0.01 . 2 . . . . 32 LYS HB2 . 6995 1 254 . 1 1 32 32 LYS HB3 H 1 1.35 0.01 . 2 . . . . 32 LYS HB3 . 6995 1 255 . 1 1 32 32 LYS HG2 H 1 2.04 0.01 . 2 . . . . 32 LYS HG2 . 6995 1 256 . 1 1 32 32 LYS HG3 H 1 1.77 0.01 . 2 . . . . 32 LYS HG3 . 6995 1 257 . 1 1 32 32 LYS HD2 H 1 1.80 0.01 . 2 . . . . 32 LYS HD2 . 6995 1 258 . 1 1 32 32 LYS HE2 H 1 3.03 0.01 . 2 . . . . 32 LYS HE2 . 6995 1 259 . 1 1 32 32 LYS HE3 H 1 2.87 0.01 . 2 . . . . 32 LYS HE3 . 6995 1 260 . 1 1 32 32 LYS C C 13 176.16 0.1 . 1 . . . . 32 LYS C . 6995 1 261 . 1 1 32 32 LYS CA C 13 54.82 0.1 . 1 . . . . 32 LYS CA . 6995 1 262 . 1 1 32 32 LYS CB C 13 33.08 0.1 . 1 . . . . 32 LYS CB . 6995 1 263 . 1 1 32 32 LYS CG C 13 24.59 0.1 . 1 . . . . 32 LYS CG . 6995 1 264 . 1 1 32 32 LYS CD C 13 28.38 0.1 . 1 . . . . 32 LYS CD . 6995 1 265 . 1 1 32 32 LYS CE C 13 42.04 0.1 . 1 . . . . 32 LYS CE . 6995 1 266 . 1 1 32 32 LYS N N 15 121.44 0.1 . 1 . . . . 32 LYS N . 6995 1 267 . 1 1 33 33 VAL H H 1 8.09 0.01 . 1 . . . . 33 VAL H . 6995 1 268 . 1 1 33 33 VAL HA H 1 4.20 0.01 . 1 . . . . 33 VAL HA . 6995 1 269 . 1 1 33 33 VAL HB H 1 2.23 0.01 . 1 . . . . 33 VAL HB . 6995 1 270 . 1 1 33 33 VAL HG11 H 1 1.03 0.01 . 2 . . . . 33 VAL HG1 . 6995 1 271 . 1 1 33 33 VAL HG12 H 1 1.03 0.01 . 2 . . . . 33 VAL HG1 . 6995 1 272 . 1 1 33 33 VAL HG13 H 1 1.03 0.01 . 2 . . . . 33 VAL HG1 . 6995 1 273 . 1 1 33 33 VAL C C 13 176.11 0.1 . 1 . . . . 33 VAL C . 6995 1 274 . 1 1 33 33 VAL CA C 13 63.23 0.1 . 1 . . . . 33 VAL CA . 6995 1 275 . 1 1 33 33 VAL CB C 13 32.05 0.1 . 1 . . . . 33 VAL CB . 6995 1 276 . 1 1 33 33 VAL CG1 C 13 21.33 0.1 . 2 . . . . 33 VAL CG1 . 6995 1 277 . 1 1 33 33 VAL N N 15 121.31 0.1 . 1 . . . . 33 VAL N . 6995 1 278 . 1 1 34 34 THR H H 1 8.17 0.01 . 1 . . . . 34 THR H . 6995 1 279 . 1 1 34 34 THR HA H 1 4.86 0.01 . 1 . . . . 34 THR HA . 6995 1 280 . 1 1 34 34 THR HB H 1 4.22 0.01 . 1 . . . . 34 THR HB . 6995 1 281 . 1 1 34 34 THR HG21 H 1 1.22 0.01 . 1 . . . . 34 THR HG2 . 6995 1 282 . 1 1 34 34 THR HG22 H 1 1.22 0.01 . 1 . . . . 34 THR HG2 . 6995 1 283 . 1 1 34 34 THR HG23 H 1 1.22 0.01 . 1 . . . . 34 THR HG2 . 6995 1 284 . 1 1 34 34 THR C C 13 174.52 0.1 . 1 . . . . 34 THR C . 6995 1 285 . 1 1 34 34 THR CA C 13 61.41 0.1 . 1 . . . . 34 THR CA . 6995 1 286 . 1 1 34 34 THR CB C 13 70.61 0.1 . 1 . . . . 34 THR CB . 6995 1 287 . 1 1 34 34 THR CG2 C 13 22.23 0.1 . 1 . . . . 34 THR CG2 . 6995 1 288 . 1 1 34 34 THR N N 15 119.91 0.1 . 1 . . . . 34 THR N . 6995 1 289 . 1 1 35 35 GLU H H 1 8.58 0.01 . 1 . . . . 35 GLU H . 6995 1 290 . 1 1 35 35 GLU HA H 1 4.54 0.01 . 1 . . . . 35 GLU HA . 6995 1 291 . 1 1 35 35 GLU HB2 H 1 2.03 0.01 . 2 . . . . 35 GLU HB2 . 6995 1 292 . 1 1 35 35 GLU HG2 H 1 2.30 0.01 . 2 . . . . 35 GLU HG2 . 6995 1 293 . 1 1 35 35 GLU C C 13 176.14 0.1 . 1 . . . . 35 GLU C . 6995 1 294 . 1 1 35 35 GLU CA C 13 56.00 0.1 . 1 . . . . 35 GLU CA . 6995 1 295 . 1 1 35 35 GLU CB C 13 31.59 0.1 . 1 . . . . 35 GLU CB . 6995 1 296 . 1 1 35 35 GLU CG C 13 36.24 0.1 . 1 . . . . 35 GLU CG . 6995 1 297 . 1 1 35 35 GLU N N 15 124.24 0.1 . 1 . . . . 35 GLU N . 6995 1 298 . 1 1 36 36 GLN H H 1 8.54 0.01 . 1 . . . . 36 GLN H . 6995 1 299 . 1 1 36 36 GLN HA H 1 4.48 0.01 . 1 . . . . 36 GLN HA . 6995 1 300 . 1 1 36 36 GLN HB2 H 1 2.16 0.01 . 2 . . . . 36 GLN HB2 . 6995 1 301 . 1 1 36 36 GLN HB3 H 1 2.06 0.01 . 2 . . . . 36 GLN HB3 . 6995 1 302 . 1 1 36 36 GLN HG2 H 1 2.41 0.01 . 2 . . . . 36 GLN HG2 . 6995 1 303 . 1 1 36 36 GLN C C 13 175.87 0.1 . 1 . . . . 36 GLN C . 6995 1 304 . 1 1 36 36 GLN CA C 13 56.01 0.1 . 1 . . . . 36 GLN CA . 6995 1 305 . 1 1 36 36 GLN CB C 13 33.91 0.1 . 1 . . . . 36 GLN CB . 6995 1 306 . 1 1 36 36 GLN CG C 13 36.22 0.1 . 1 . . . . 36 GLN CG . 6995 1 307 . 1 1 36 36 GLN N N 15 122.78 0.1 . 1 . . . . 36 GLN N . 6995 1 308 . 1 1 37 37 GLU H H 1 8.43 0.01 . 1 . . . . 37 GLU H . 6995 1 309 . 1 1 37 37 GLU HA H 1 4.37 0.01 . 1 . . . . 37 GLU HA . 6995 1 310 . 1 1 37 37 GLU HB2 H 1 2.10 0.01 . 2 . . . . 37 GLU HB2 . 6995 1 311 . 1 1 37 37 GLU HB3 H 1 1.98 0.01 . 2 . . . . 37 GLU HB3 . 6995 1 312 . 1 1 37 37 GLU HG2 H 1 2.31 0.01 . 2 . . . . 37 GLU HG2 . 6995 1 313 . 1 1 37 37 GLU C C 13 176.24 0.1 . 1 . . . . 37 GLU C . 6995 1 314 . 1 1 37 37 GLU CA C 13 56.50 0.1 . 1 . . . . 37 GLU CA . 6995 1 315 . 1 1 37 37 GLU CB C 13 30.57 0.1 . 1 . . . . 37 GLU CB . 6995 1 316 . 1 1 37 37 GLU CG C 13 36.28 0.1 . 1 . . . . 37 GLU CG . 6995 1 317 . 1 1 37 37 GLU N N 15 124.11 0.1 . 1 . . . . 37 GLU N . 6995 1 318 . 1 1 38 38 ALA H H 1 8.43 0.01 . 1 . . . . 38 ALA H . 6995 1 319 . 1 1 38 38 ALA HA H 1 4.40 0.01 . 1 . . . . 38 ALA HA . 6995 1 320 . 1 1 38 38 ALA HB1 H 1 1.46 0.01 . 1 . . . . 38 ALA HB . 6995 1 321 . 1 1 38 38 ALA HB2 H 1 1.46 0.01 . 1 . . . . 38 ALA HB . 6995 1 322 . 1 1 38 38 ALA HB3 H 1 1.46 0.01 . 1 . . . . 38 ALA HB . 6995 1 323 . 1 1 38 38 ALA C C 13 178.14 0.1 . 1 . . . . 38 ALA C . 6995 1 324 . 1 1 38 38 ALA CA C 13 52.64 0.1 . 1 . . . . 38 ALA CA . 6995 1 325 . 1 1 38 38 ALA CB C 13 19.34 0.1 . 1 . . . . 38 ALA CB . 6995 1 326 . 1 1 38 38 ALA N N 15 127.13 0.1 . 1 . . . . 38 ALA N . 6995 1 327 . 1 1 39 39 GLY H H 1 8.38 0.01 . 1 . . . . 39 GLY H . 6995 1 328 . 1 1 39 39 GLY HA2 H 1 4.02 0.01 . 2 . . . . 39 GLY HA2 . 6995 1 329 . 1 1 39 39 GLY C C 13 174.69 0.1 . 1 . . . . 39 GLY C . 6995 1 330 . 1 1 39 39 GLY CA C 13 45.32 0.1 . 1 . . . . 39 GLY CA . 6995 1 331 . 1 1 39 39 GLY N N 15 109.17 0.1 . 1 . . . . 39 GLY N . 6995 1 332 . 1 1 40 40 GLY H H 1 8.21 0.01 . 1 . . . . 40 GLY H . 6995 1 333 . 1 1 40 40 GLY HA2 H 1 4.02 0.01 . 2 . . . . 40 GLY HA2 . 6995 1 334 . 1 1 40 40 GLY C C 13 174.38 0.1 . 1 . . . . 40 GLY C . 6995 1 335 . 1 1 40 40 GLY CA C 13 45.42 0.1 . 1 . . . . 40 GLY CA . 6995 1 336 . 1 1 40 40 GLY N N 15 109.61 0.1 . 1 . . . . 40 GLY N . 6995 1 337 . 1 1 41 41 ILE H H 1 8.04 0.01 . 1 . . . . 41 ILE H . 6995 1 338 . 1 1 41 41 ILE HA H 1 4.29 0.01 . 1 . . . . 41 ILE HA . 6995 1 339 . 1 1 41 41 ILE HB H 1 1.95 0.01 . 1 . . . . 41 ILE HB . 6995 1 340 . 1 1 41 41 ILE HG12 H 1 1.49 0.01 . 2 . . . . 41 ILE HG12 . 6995 1 341 . 1 1 41 41 ILE HG21 H 1 0.94 0.01 . 1 . . . . 41 ILE HG2 . 6995 1 342 . 1 1 41 41 ILE HG22 H 1 0.94 0.01 . 1 . . . . 41 ILE HG2 . 6995 1 343 . 1 1 41 41 ILE HG23 H 1 0.94 0.01 . 1 . . . . 41 ILE HG2 . 6995 1 344 . 1 1 41 41 ILE HD11 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 6995 1 345 . 1 1 41 41 ILE HD12 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 6995 1 346 . 1 1 41 41 ILE HD13 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 6995 1 347 . 1 1 41 41 ILE C C 13 176.56 0.1 . 1 . . . . 41 ILE C . 6995 1 348 . 1 1 41 41 ILE CA C 13 61.57 0.1 . 1 . . . . 41 ILE CA . 6995 1 349 . 1 1 41 41 ILE CB C 13 38.66 0.1 . 1 . . . . 41 ILE CB . 6995 1 350 . 1 1 41 41 ILE CG1 C 13 27.41 0.1 . 1 . . . . 41 ILE CG1 . 6995 1 351 . 1 1 41 41 ILE CG2 C 13 17.61 0.1 . 1 . . . . 41 ILE CG2 . 6995 1 352 . 1 1 41 41 ILE CD1 C 13 13.00 0.1 . 1 . . . . 41 ILE CD1 . 6995 1 353 . 1 1 41 41 ILE N N 15 120.84 0.1 . 1 . . . . 41 ILE N . 6995 1 354 . 1 1 42 42 THR H H 1 8.13 0.01 . 1 . . . . 42 THR H . 6995 1 355 . 1 1 42 42 THR HA H 1 4.38 0.01 . 1 . . . . 42 THR HA . 6995 1 356 . 1 1 42 42 THR HB H 1 4.26 0.01 . 1 . . . . 42 THR HB . 6995 1 357 . 1 1 42 42 THR HG21 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 6995 1 358 . 1 1 42 42 THR HG22 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 6995 1 359 . 1 1 42 42 THR HG23 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 6995 1 360 . 1 1 42 42 THR C C 13 174.32 0.1 . 1 . . . . 42 THR C . 6995 1 361 . 1 1 42 42 THR CA C 13 61.82 0.1 . 1 . . . . 42 THR CA . 6995 1 362 . 1 1 42 42 THR CB C 13 69.67 0.1 . 1 . . . . 42 THR CB . 6995 1 363 . 1 1 42 42 THR CG2 C 13 21.73 0.1 . 1 . . . . 42 THR CG2 . 6995 1 364 . 1 1 42 42 THR N N 15 117.45 0.1 . 1 . . . . 42 THR N . 6995 1 365 . 1 1 43 43 GLN H H 1 8.22 0.01 . 1 . . . . 43 GLN H . 6995 1 366 . 1 1 43 43 GLN N N 15 122.87 0.1 . 1 . . . . 43 GLN N . 6995 1 367 . 1 1 44 44 HIS HA H 1 4.68 0.01 . 1 . . . . 44 HIS HA . 6995 1 368 . 1 1 44 44 HIS HB2 H 1 3.19 0.01 . 2 . . . . 44 HIS HB2 . 6995 1 369 . 1 1 44 44 HIS HB3 H 1 3.14 0.01 . 2 . . . . 44 HIS HB3 . 6995 1 370 . 1 1 44 44 HIS C C 13 174.84 0.1 . 1 . . . . 44 HIS C . 6995 1 371 . 1 1 44 44 HIS CA C 13 56.12 0.1 . 1 . . . . 44 HIS CA . 6995 1 372 . 1 1 44 44 HIS CB C 13 30.27 0.1 . 1 . . . . 44 HIS CB . 6995 1 373 . 1 1 45 45 ILE H H 1 7.98 0.01 . 1 . . . . 45 ILE H . 6995 1 374 . 1 1 45 45 ILE HA H 1 4.18 0.01 . 1 . . . . 45 ILE HA . 6995 1 375 . 1 1 45 45 ILE HB H 1 1.89 0.01 . 1 . . . . 45 ILE HB . 6995 1 376 . 1 1 45 45 ILE HG12 H 1 1.22 0.01 . 2 . . . . 45 ILE HG12 . 6995 1 377 . 1 1 45 45 ILE HG21 H 1 0.96 0.01 . 1 . . . . 45 ILE HG2 . 6995 1 378 . 1 1 45 45 ILE HG22 H 1 0.96 0.01 . 1 . . . . 45 ILE HG2 . 6995 1 379 . 1 1 45 45 ILE HG23 H 1 0.96 0.01 . 1 . . . . 45 ILE HG2 . 6995 1 380 . 1 1 45 45 ILE HD11 H 1 0.88 0.01 . 1 . . . . 45 ILE HD1 . 6995 1 381 . 1 1 45 45 ILE HD12 H 1 0.88 0.01 . 1 . . . . 45 ILE HD1 . 6995 1 382 . 1 1 45 45 ILE HD13 H 1 0.88 0.01 . 1 . . . . 45 ILE HD1 . 6995 1 383 . 1 1 45 45 ILE C C 13 176.09 0.1 . 1 . . . . 45 ILE C . 6995 1 384 . 1 1 45 45 ILE CA C 13 61.34 0.1 . 1 . . . . 45 ILE CA . 6995 1 385 . 1 1 45 45 ILE CB C 13 38.87 0.1 . 1 . . . . 45 ILE CB . 6995 1 386 . 1 1 45 45 ILE CG1 C 13 27.47 0.1 . 1 . . . . 45 ILE CG1 . 6995 1 387 . 1 1 45 45 ILE CG2 C 13 17.72 0.1 . 1 . . . . 45 ILE CG2 . 6995 1 388 . 1 1 45 45 ILE CD1 C 13 13.05 0.1 . 1 . . . . 45 ILE CD1 . 6995 1 389 . 1 1 45 45 ILE N N 15 122.30 0.1 . 1 . . . . 45 ILE N . 6995 1 390 . 1 1 46 46 GLY H H 1 8.47 0.01 . 1 . . . . 46 GLY H . 6995 1 391 . 1 1 46 46 GLY N N 15 114.76 0.1 . 1 . . . . 46 GLY N . 6995 1 392 . 1 1 47 47 ALA HA H 1 5.11 0.01 . 1 . . . . 47 ALA HA . 6995 1 393 . 1 1 47 47 ALA HB1 H 1 1.21 0.01 . 1 . . . . 47 ALA HB . 6995 1 394 . 1 1 47 47 ALA HB2 H 1 1.21 0.01 . 1 . . . . 47 ALA HB . 6995 1 395 . 1 1 47 47 ALA HB3 H 1 1.21 0.01 . 1 . . . . 47 ALA HB . 6995 1 396 . 1 1 47 47 ALA CA C 13 51.22 0.1 . 1 . . . . 47 ALA CA . 6995 1 397 . 1 1 47 47 ALA CB C 13 22.06 0.1 . 1 . . . . 47 ALA CB . 6995 1 398 . 1 1 48 48 TYR H H 1 8.85 0.01 . 1 . . . . 48 TYR H . 6995 1 399 . 1 1 48 48 TYR HA H 1 5.06 0.01 . 1 . . . . 48 TYR HA . 6995 1 400 . 1 1 48 48 TYR HB2 H 1 3.02 0.01 . 2 . . . . 48 TYR HB2 . 6995 1 401 . 1 1 48 48 TYR HB3 H 1 2.97 0.01 . 2 . . . . 48 TYR HB3 . 6995 1 402 . 1 1 48 48 TYR HD1 H 1 7.01 0.01 . 3 . . . . 48 TYR HD1 . 6995 1 403 . 1 1 48 48 TYR HE1 H 1 6.67 0.01 . 3 . . . . 48 TYR HE1 . 6995 1 404 . 1 1 48 48 TYR CA C 13 56.70 0.1 . 1 . . . . 48 TYR CA . 6995 1 405 . 1 1 48 48 TYR CB C 13 41.29 0.1 . 1 . . . . 48 TYR CB . 6995 1 406 . 1 1 48 48 TYR CD1 C 13 133.11 0.1 . 3 . . . . 48 TYR CD1 . 6995 1 407 . 1 1 48 48 TYR CE1 C 13 118.49 0.1 . 3 . . . . 48 TYR CE1 . 6995 1 408 . 1 1 48 48 TYR N N 15 119.37 0.1 . 1 . . . . 48 TYR N . 6995 1 409 . 1 1 49 49 GLN HA H 1 5.56 0.01 . 1 . . . . 49 GLN HA . 6995 1 410 . 1 1 49 49 GLN HG2 H 1 2.28 0.01 . 2 . . . . 49 GLN HG2 . 6995 1 411 . 1 1 49 49 GLN HE21 H 1 7.27 0.01 . 2 . . . . 49 GLN HE21 . 6995 1 412 . 1 1 49 49 GLN HE22 H 1 6.76 0.01 . 2 . . . . 49 GLN HE22 . 6995 1 413 . 1 1 49 49 GLN C C 13 175.29 0.1 . 1 . . . . 49 GLN C . 6995 1 414 . 1 1 49 49 GLN CA C 13 54.64 0.1 . 1 . . . . 49 GLN CA . 6995 1 415 . 1 1 49 49 GLN CB C 13 31.37 0.1 . 1 . . . . 49 GLN CB . 6995 1 416 . 1 1 49 49 GLN CG C 13 34.53 0.1 . 1 . . . . 49 GLN CG . 6995 1 417 . 1 1 49 49 GLN NE2 N 15 112.15 0.1 . 1 . . . . 49 GLN NE2 . 6995 1 418 . 1 1 50 50 VAL H H 1 9.18 0.01 . 1 . . . . 50 VAL H . 6995 1 419 . 1 1 50 50 VAL HA H 1 4.82 0.01 . 1 . . . . 50 VAL HA . 6995 1 420 . 1 1 50 50 VAL HB H 1 2.15 0.01 . 1 . . . . 50 VAL HB . 6995 1 421 . 1 1 50 50 VAL HG11 H 1 0.96 0.01 . 2 . . . . 50 VAL HG1 . 6995 1 422 . 1 1 50 50 VAL HG12 H 1 0.96 0.01 . 2 . . . . 50 VAL HG1 . 6995 1 423 . 1 1 50 50 VAL HG13 H 1 0.96 0.01 . 2 . . . . 50 VAL HG1 . 6995 1 424 . 1 1 50 50 VAL C C 13 174.47 0.1 . 1 . . . . 50 VAL C . 6995 1 425 . 1 1 50 50 VAL CA C 13 60.00 0.1 . 1 . . . . 50 VAL CA . 6995 1 426 . 1 1 50 50 VAL CB C 13 35.27 0.1 . 1 . . . . 50 VAL CB . 6995 1 427 . 1 1 50 50 VAL CG1 C 13 21.29 0.1 . 2 . . . . 50 VAL CG1 . 6995 1 428 . 1 1 50 50 VAL N N 15 123.98 0.1 . 1 . . . . 50 VAL N . 6995 1 429 . 1 1 51 51 THR H H 1 8.60 0.01 . 1 . . . . 51 THR H . 6995 1 430 . 1 1 51 51 THR HA H 1 5.07 0.01 . 1 . . . . 51 THR HA . 6995 1 431 . 1 1 51 51 THR HB H 1 4.01 0.01 . 1 . . . . 51 THR HB . 6995 1 432 . 1 1 51 51 THR HG21 H 1 1.11 0.01 . 1 . . . . 51 THR HG2 . 6995 1 433 . 1 1 51 51 THR HG22 H 1 1.11 0.01 . 1 . . . . 51 THR HG2 . 6995 1 434 . 1 1 51 51 THR HG23 H 1 1.11 0.01 . 1 . . . . 51 THR HG2 . 6995 1 435 . 1 1 51 51 THR C C 13 174.07 0.1 . 1 . . . . 51 THR C . 6995 1 436 . 1 1 51 51 THR CA C 13 61.98 0.1 . 1 . . . . 51 THR CA . 6995 1 437 . 1 1 51 51 THR CB C 13 69.42 0.1 . 1 . . . . 51 THR CB . 6995 1 438 . 1 1 51 51 THR CG2 C 13 21.50 0.1 . 1 . . . . 51 THR CG2 . 6995 1 439 . 1 1 51 51 THR N N 15 122.08 0.1 . 1 . . . . 51 THR N . 6995 1 440 . 1 1 52 52 VAL H H 1 9.08 0.01 . 1 . . . . 52 VAL H . 6995 1 441 . 1 1 52 52 VAL HA H 1 4.22 0.01 . 1 . . . . 52 VAL HA . 6995 1 442 . 1 1 52 52 VAL HB H 1 2.04 0.01 . 1 . . . . 52 VAL HB . 6995 1 443 . 1 1 52 52 VAL HG11 H 1 0.94 0.01 . 2 . . . . 52 VAL HG1 . 6995 1 444 . 1 1 52 52 VAL HG12 H 1 0.94 0.01 . 2 . . . . 52 VAL HG1 . 6995 1 445 . 1 1 52 52 VAL HG13 H 1 0.94 0.01 . 2 . . . . 52 VAL HG1 . 6995 1 446 . 1 1 52 52 VAL C C 13 174.80 0.1 . 1 . . . . 52 VAL C . 6995 1 447 . 1 1 52 52 VAL CA C 13 60.95 0.1 . 1 . . . . 52 VAL CA . 6995 1 448 . 1 1 52 52 VAL CB C 13 33.73 0.1 . 1 . . . . 52 VAL CB . 6995 1 449 . 1 1 52 52 VAL CG1 C 13 21.24 0.1 . 2 . . . . 52 VAL CG1 . 6995 1 450 . 1 1 52 52 VAL N N 15 129.09 0.1 . 1 . . . . 52 VAL N . 6995 1 451 . 1 1 53 53 ASN H H 1 9.10 0.01 . 1 . . . . 53 ASN H . 6995 1 452 . 1 1 53 53 ASN HA H 1 4.27 0.01 . 1 . . . . 53 ASN HA . 6995 1 453 . 1 1 53 53 ASN HB2 H 1 3.07 0.01 . 2 . . . . 53 ASN HB2 . 6995 1 454 . 1 1 53 53 ASN HB3 H 1 2.91 0.01 . 2 . . . . 53 ASN HB3 . 6995 1 455 . 1 1 53 53 ASN HD21 H 1 7.23 0.01 . 2 . . . . 53 ASN HD21 . 6995 1 456 . 1 1 53 53 ASN HD22 H 1 6.76 0.01 . 2 . . . . 53 ASN HD22 . 6995 1 457 . 1 1 53 53 ASN C C 13 174.03 0.1 . 1 . . . . 53 ASN C . 6995 1 458 . 1 1 53 53 ASN CA C 13 54.80 0.1 . 1 . . . . 53 ASN CA . 6995 1 459 . 1 1 53 53 ASN CB C 13 36.81 0.1 . 1 . . . . 53 ASN CB . 6995 1 460 . 1 1 53 53 ASN N N 15 126.53 0.1 . 1 . . . . 53 ASN N . 6995 1 461 . 1 1 53 53 ASN ND2 N 15 113.00 0.1 . 1 . . . . 53 ASN ND2 . 6995 1 462 . 1 1 54 54 ASP H H 1 8.44 0.01 . 1 . . . . 54 ASP H . 6995 1 463 . 1 1 54 54 ASP HA H 1 4.27 0.01 . 1 . . . . 54 ASP HA . 6995 1 464 . 1 1 54 54 ASP HB2 H 1 2.94 0.01 . 2 . . . . 54 ASP HB2 . 6995 1 465 . 1 1 54 54 ASP HB3 H 1 2.87 0.01 . 2 . . . . 54 ASP HB3 . 6995 1 466 . 1 1 54 54 ASP C C 13 174.76 0.1 . 1 . . . . 54 ASP C . 6995 1 467 . 1 1 54 54 ASP CA C 13 55.56 0.1 . 1 . . . . 54 ASP CA . 6995 1 468 . 1 1 54 54 ASP CB C 13 40.30 0.1 . 1 . . . . 54 ASP CB . 6995 1 469 . 1 1 54 54 ASP N N 15 113.60 0.1 . 1 . . . . 54 ASP N . 6995 1 470 . 1 1 55 55 LYS H H 1 8.18 0.01 . 1 . . . . 55 LYS H . 6995 1 471 . 1 1 55 55 LYS HA H 1 4.68 0.01 . 1 . . . . 55 LYS HA . 6995 1 472 . 1 1 55 55 LYS HB2 H 1 1.89 0.01 . 2 . . . . 55 LYS HB2 . 6995 1 473 . 1 1 55 55 LYS HE2 H 1 3.04 0.01 . 2 . . . . 55 LYS HE2 . 6995 1 474 . 1 1 55 55 LYS CA C 13 54.86 0.1 . 1 . . . . 55 LYS CA . 6995 1 475 . 1 1 55 55 LYS CB C 13 34.73 0.1 . 1 . . . . 55 LYS CB . 6995 1 476 . 1 1 55 55 LYS CG C 13 24.74 0.1 . 1 . . . . 55 LYS CG . 6995 1 477 . 1 1 55 55 LYS CD C 13 28.17 0.1 . 1 . . . . 55 LYS CD . 6995 1 478 . 1 1 55 55 LYS CE C 13 41.99 0.1 . 1 . . . . 55 LYS CE . 6995 1 479 . 1 1 55 55 LYS N N 15 122.90 0.1 . 1 . . . . 55 LYS N . 6995 1 480 . 1 1 57 57 ILE HA H 1 4.13 0.01 . 1 . . . . 57 ILE HA . 6995 1 481 . 1 1 57 57 ILE HB H 1 1.62 0.01 . 1 . . . . 57 ILE HB . 6995 1 482 . 1 1 57 57 ILE HG21 H 1 0.30 0.01 . 1 . . . . 57 ILE HG2 . 6995 1 483 . 1 1 57 57 ILE HG22 H 1 0.30 0.01 . 1 . . . . 57 ILE HG2 . 6995 1 484 . 1 1 57 57 ILE HG23 H 1 0.30 0.01 . 1 . . . . 57 ILE HG2 . 6995 1 485 . 1 1 57 57 ILE HD11 H 1 0.81 0.01 . 1 . . . . 57 ILE HD1 . 6995 1 486 . 1 1 57 57 ILE HD12 H 1 0.81 0.01 . 1 . . . . 57 ILE HD1 . 6995 1 487 . 1 1 57 57 ILE HD13 H 1 0.81 0.01 . 1 . . . . 57 ILE HD1 . 6995 1 488 . 1 1 57 57 ILE CA C 13 60.90 0.1 . 1 . . . . 57 ILE CA . 6995 1 489 . 1 1 57 57 ILE CB C 13 41.90 0.1 . 1 . . . . 57 ILE CB . 6995 1 490 . 1 1 57 57 ILE CG1 C 13 27.34 0.1 . 1 . . . . 57 ILE CG1 . 6995 1 491 . 1 1 57 57 ILE CG2 C 13 19.45 0.1 . 1 . . . . 57 ILE CG2 . 6995 1 492 . 1 1 57 57 ILE CD1 C 13 14.10 0.1 . 1 . . . . 57 ILE CD1 . 6995 1 493 . 1 1 58 58 THR HA H 1 5.01 0.01 . 1 . . . . 58 THR HA . 6995 1 494 . 1 1 58 58 THR HB H 1 4.11 0.01 . 1 . . . . 58 THR HB . 6995 1 495 . 1 1 58 58 THR HG21 H 1 1.06 0.01 . 1 . . . . 58 THR HG2 . 6995 1 496 . 1 1 58 58 THR HG22 H 1 1.06 0.01 . 1 . . . . 58 THR HG2 . 6995 1 497 . 1 1 58 58 THR HG23 H 1 1.06 0.01 . 1 . . . . 58 THR HG2 . 6995 1 498 . 1 1 58 58 THR CA C 13 62.20 0.1 . 1 . . . . 58 THR CA . 6995 1 499 . 1 1 58 58 THR CB C 13 69.50 0.1 . 1 . . . . 58 THR CB . 6995 1 500 . 1 1 58 58 THR CG2 C 13 22.06 0.1 . 1 . . . . 58 THR CG2 . 6995 1 501 . 1 1 59 59 PHE H H 1 9.36 0.01 . 1 . . . . 59 PHE H . 6995 1 502 . 1 1 59 59 PHE HD1 H 1 7.06 0.01 . 3 . . . . 59 PHE HD1 . 6995 1 503 . 1 1 59 59 PHE HE1 H 1 6.95 0.01 . 3 . . . . 59 PHE HE1 . 6995 1 504 . 1 1 59 59 PHE HZ H 1 6.87 0.01 . 1 . . . . 59 PHE HZ . 6995 1 505 . 1 1 59 59 PHE CA C 13 56.80 0.1 . 1 . . . . 59 PHE CA . 6995 1 506 . 1 1 59 59 PHE CD1 C 13 131.90 0.1 . 3 . . . . 59 PHE CD1 . 6995 1 507 . 1 1 59 59 PHE CE1 C 13 130.10 0.1 . 3 . . . . 59 PHE CE1 . 6995 1 508 . 1 1 59 59 PHE CZ C 13 128.10 0.1 . 1 . . . . 59 PHE CZ . 6995 1 509 . 1 1 59 59 PHE N N 15 126.80 0.1 . 1 . . . . 59 PHE N . 6995 1 510 . 1 1 63 63 PRO HA H 1 4.53 0.01 . 1 . . . . 63 PRO HA . 6995 1 511 . 1 1 63 63 PRO HB2 H 1 2.31 0.01 . 2 . . . . 63 PRO HB2 . 6995 1 512 . 1 1 63 63 PRO HB3 H 1 2.17 0.01 . 2 . . . . 63 PRO HB3 . 6995 1 513 . 1 1 63 63 PRO HG2 H 1 1.96 0.01 . 2 . . . . 63 PRO HG2 . 6995 1 514 . 1 1 63 63 PRO HG3 H 1 1.91 0.01 . 2 . . . . 63 PRO HG3 . 6995 1 515 . 1 1 63 63 PRO HD2 H 1 3.58 0.01 . 2 . . . . 63 PRO HD2 . 6995 1 516 . 1 1 63 63 PRO CA C 13 65.07 0.1 . 1 . . . . 63 PRO CA . 6995 1 517 . 1 1 63 63 PRO CB C 13 34.14 0.1 . 1 . . . . 63 PRO CB . 6995 1 518 . 1 1 63 63 PRO CG C 13 24.80 0.1 . 1 . . . . 63 PRO CG . 6995 1 519 . 1 1 63 63 PRO CD C 13 49.99 0.1 . 1 . . . . 63 PRO CD . 6995 1 520 . 1 1 68 68 PHE HA H 1 4.46 0.01 . 1 . . . . 68 PHE HA . 6995 1 521 . 1 1 68 68 PHE HB2 H 1 3.14 0.01 . 2 . . . . 68 PHE HB2 . 6995 1 522 . 1 1 68 68 PHE HD1 H 1 7.16 0.01 . 3 . . . . 68 PHE HD1 . 6995 1 523 . 1 1 68 68 PHE HZ H 1 7.11 0.01 . 1 . . . . 68 PHE HZ . 6995 1 524 . 1 1 68 68 PHE CA C 13 59.23 0.1 . 1 . . . . 68 PHE CA . 6995 1 525 . 1 1 68 68 PHE CB C 13 39.12 0.1 . 1 . . . . 68 PHE CB . 6995 1 526 . 1 1 68 68 PHE CD1 C 13 131.56 0.1 . 3 . . . . 68 PHE CD1 . 6995 1 527 . 1 1 68 68 PHE CZ C 13 129.14 0.1 . 1 . . . . 68 PHE CZ . 6995 1 528 . 1 1 71 71 MET HE1 H 1 1.95 0.01 . 1 . . . . 71 MET HE . 6995 1 529 . 1 1 71 71 MET HE2 H 1 1.95 0.01 . 1 . . . . 71 MET HE . 6995 1 530 . 1 1 71 71 MET HE3 H 1 1.95 0.01 . 1 . . . . 71 MET HE . 6995 1 531 . 1 1 71 71 MET CE C 13 17.09 0.1 . 1 . . . . 71 MET CE . 6995 1 532 . 1 1 81 81 ILE HA H 1 4.28 0.01 . 1 . . . . 81 ILE HA . 6995 1 533 . 1 1 81 81 ILE HB H 1 1.50 0.01 . 1 . . . . 81 ILE HB . 6995 1 534 . 1 1 81 81 ILE HG21 H 1 0.75 0.01 . 1 . . . . 81 ILE HG2 . 6995 1 535 . 1 1 81 81 ILE HG22 H 1 0.75 0.01 . 1 . . . . 81 ILE HG2 . 6995 1 536 . 1 1 81 81 ILE HG23 H 1 0.75 0.01 . 1 . . . . 81 ILE HG2 . 6995 1 537 . 1 1 81 81 ILE HD11 H 1 0.73 0.01 . 1 . . . . 81 ILE HD1 . 6995 1 538 . 1 1 81 81 ILE HD12 H 1 0.73 0.01 . 1 . . . . 81 ILE HD1 . 6995 1 539 . 1 1 81 81 ILE HD13 H 1 0.73 0.01 . 1 . . . . 81 ILE HD1 . 6995 1 540 . 1 1 81 81 ILE C C 13 174.10 0.1 . 1 . . . . 81 ILE C . 6995 1 541 . 1 1 81 81 ILE CA C 13 60.62 0.1 . 1 . . . . 81 ILE CA . 6995 1 542 . 1 1 81 81 ILE CB C 13 44.01 0.1 . 1 . . . . 81 ILE CB . 6995 1 543 . 1 1 81 81 ILE CG1 C 13 27.77 0.1 . 1 . . . . 81 ILE CG1 . 6995 1 544 . 1 1 81 81 ILE CG2 C 13 17.07 0.1 . 1 . . . . 81 ILE CG2 . 6995 1 545 . 1 1 81 81 ILE CD1 C 13 14.73 0.1 . 1 . . . . 81 ILE CD1 . 6995 1 546 . 1 1 82 82 VAL H H 1 8.47 0.01 . 1 . . . . 82 VAL H . 6995 1 547 . 1 1 82 82 VAL HA H 1 4.95 0.01 . 1 . . . . 82 VAL HA . 6995 1 548 . 1 1 82 82 VAL HB H 1 1.87 0.01 . 1 . . . . 82 VAL HB . 6995 1 549 . 1 1 82 82 VAL HG11 H 1 0.93 0.01 . 2 . . . . 82 VAL HG1 . 6995 1 550 . 1 1 82 82 VAL HG12 H 1 0.93 0.01 . 2 . . . . 82 VAL HG1 . 6995 1 551 . 1 1 82 82 VAL HG13 H 1 0.93 0.01 . 2 . . . . 82 VAL HG1 . 6995 1 552 . 1 1 82 82 VAL HG21 H 1 0.76 0.01 . 2 . . . . 82 VAL HG2 . 6995 1 553 . 1 1 82 82 VAL HG22 H 1 0.76 0.01 . 2 . . . . 82 VAL HG2 . 6995 1 554 . 1 1 82 82 VAL HG23 H 1 0.76 0.01 . 2 . . . . 82 VAL HG2 . 6995 1 555 . 1 1 82 82 VAL C C 13 175.22 0.1 . 1 . . . . 82 VAL C . 6995 1 556 . 1 1 82 82 VAL CA C 13 60.66 0.1 . 1 . . . . 82 VAL CA . 6995 1 557 . 1 1 82 82 VAL CB C 13 34.86 0.1 . 1 . . . . 82 VAL CB . 6995 1 558 . 1 1 82 82 VAL CG1 C 13 23.63 0.1 . 2 . . . . 82 VAL CG1 . 6995 1 559 . 1 1 82 82 VAL CG2 C 13 20.43 0.1 . 2 . . . . 82 VAL CG2 . 6995 1 560 . 1 1 82 82 VAL N N 15 127.26 0.1 . 1 . . . . 82 VAL N . 6995 1 561 . 1 1 83 83 ILE H H 1 8.57 0.01 . 1 . . . . 83 ILE H . 6995 1 562 . 1 1 83 83 ILE HA H 1 4.92 0.01 . 1 . . . . 83 ILE HA . 6995 1 563 . 1 1 83 83 ILE HB H 1 1.91 0.01 . 1 . . . . 83 ILE HB . 6995 1 564 . 1 1 83 83 ILE HG12 H 1 1.37 0.01 . 2 . . . . 83 ILE HG12 . 6995 1 565 . 1 1 83 83 ILE HG13 H 1 1.12 0.01 . 2 . . . . 83 ILE HG13 . 6995 1 566 . 1 1 83 83 ILE HG21 H 1 0.72 0.01 . 1 . . . . 83 ILE HG2 . 6995 1 567 . 1 1 83 83 ILE HG22 H 1 0.72 0.01 . 1 . . . . 83 ILE HG2 . 6995 1 568 . 1 1 83 83 ILE HG23 H 1 0.72 0.01 . 1 . . . . 83 ILE HG2 . 6995 1 569 . 1 1 83 83 ILE HD11 H 1 0.80 0.01 . 1 . . . . 83 ILE HD1 . 6995 1 570 . 1 1 83 83 ILE HD12 H 1 0.80 0.01 . 1 . . . . 83 ILE HD1 . 6995 1 571 . 1 1 83 83 ILE HD13 H 1 0.80 0.01 . 1 . . . . 83 ILE HD1 . 6995 1 572 . 1 1 83 83 ILE C C 13 174.01 0.1 . 1 . . . . 83 ILE C . 6995 1 573 . 1 1 83 83 ILE CA C 13 58.40 0.1 . 1 . . . . 83 ILE CA . 6995 1 574 . 1 1 83 83 ILE CB C 13 37.98 0.1 . 1 . . . . 83 ILE CB . 6995 1 575 . 1 1 83 83 ILE CG1 C 13 27.14 0.1 . 1 . . . . 83 ILE CG1 . 6995 1 576 . 1 1 83 83 ILE CG2 C 13 17.97 0.1 . 1 . . . . 83 ILE CG2 . 6995 1 577 . 1 1 83 83 ILE CD1 C 13 13.27 0.1 . 1 . . . . 83 ILE CD1 . 6995 1 578 . 1 1 83 83 ILE N N 15 126.33 0.1 . 1 . . . . 83 ILE N . 6995 1 579 . 1 1 84 84 LEU H H 1 9.01 0.01 . 1 . . . . 84 LEU H . 6995 1 580 . 1 1 84 84 LEU HA H 1 4.58 0.01 . 1 . . . . 84 LEU HA . 6995 1 581 . 1 1 84 84 LEU HB2 H 1 1.81 0.01 . 2 . . . . 84 LEU HB2 . 6995 1 582 . 1 1 84 84 LEU HB3 H 1 0.88 0.01 . 2 . . . . 84 LEU HB3 . 6995 1 583 . 1 1 84 84 LEU HG H 1 1.26 0.01 . 1 . . . . 84 LEU HG . 6995 1 584 . 1 1 84 84 LEU HD11 H 1 0.67 0.01 . 2 . . . . 84 LEU HD1 . 6995 1 585 . 1 1 84 84 LEU HD12 H 1 0.67 0.01 . 2 . . . . 84 LEU HD1 . 6995 1 586 . 1 1 84 84 LEU HD13 H 1 0.67 0.01 . 2 . . . . 84 LEU HD1 . 6995 1 587 . 1 1 84 84 LEU HD21 H 1 0.86 0.01 . 2 . . . . 84 LEU HD2 . 6995 1 588 . 1 1 84 84 LEU HD22 H 1 0.86 0.01 . 2 . . . . 84 LEU HD2 . 6995 1 589 . 1 1 84 84 LEU HD23 H 1 0.86 0.01 . 2 . . . . 84 LEU HD2 . 6995 1 590 . 1 1 84 84 LEU C C 13 174.31 0.1 . 1 . . . . 84 LEU C . 6995 1 591 . 1 1 84 84 LEU CA C 13 52.35 0.1 . 1 . . . . 84 LEU CA . 6995 1 592 . 1 1 84 84 LEU CB C 13 44.38 0.1 . 1 . . . . 84 LEU CB . 6995 1 593 . 1 1 84 84 LEU CG C 13 26.79 0.1 . 1 . . . . 84 LEU CG . 6995 1 594 . 1 1 84 84 LEU CD1 C 13 26.45 0.1 . 2 . . . . 84 LEU CD1 . 6995 1 595 . 1 1 84 84 LEU CD2 C 13 24.14 0.1 . 2 . . . . 84 LEU CD2 . 6995 1 596 . 1 1 84 84 LEU N N 15 131.33 0.1 . 1 . . . . 84 LEU N . 6995 1 597 . 1 1 85 85 VAL H H 1 9.19 0.01 . 1 . . . . 85 VAL H . 6995 1 598 . 1 1 85 85 VAL HA H 1 4.85 0.01 . 1 . . . . 85 VAL HA . 6995 1 599 . 1 1 85 85 VAL HB H 1 1.99 0.01 . 1 . . . . 85 VAL HB . 6995 1 600 . 1 1 85 85 VAL HG11 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 6995 1 601 . 1 1 85 85 VAL HG12 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 6995 1 602 . 1 1 85 85 VAL HG13 H 1 0.96 0.01 . 2 . . . . 85 VAL HG1 . 6995 1 603 . 1 1 85 85 VAL HG21 H 1 0.76 0.01 . 2 . . . . 85 VAL HG2 . 6995 1 604 . 1 1 85 85 VAL HG22 H 1 0.76 0.01 . 2 . . . . 85 VAL HG2 . 6995 1 605 . 1 1 85 85 VAL HG23 H 1 0.76 0.01 . 2 . . . . 85 VAL HG2 . 6995 1 606 . 1 1 85 85 VAL C C 13 175.94 0.1 . 1 . . . . 85 VAL C . 6995 1 607 . 1 1 85 85 VAL CA C 13 61.99 0.1 . 1 . . . . 85 VAL CA . 6995 1 608 . 1 1 85 85 VAL CB C 13 32.10 0.1 . 1 . . . . 85 VAL CB . 6995 1 609 . 1 1 85 85 VAL CG1 C 13 24.69 0.1 . 2 . . . . 85 VAL CG1 . 6995 1 610 . 1 1 85 85 VAL CG2 C 13 22.05 0.1 . 2 . . . . 85 VAL CG2 . 6995 1 611 . 1 1 85 85 VAL N N 15 130.52 0.1 . 1 . . . . 85 VAL N . 6995 1 612 . 1 1 86 86 VAL H H 1 8.94 0.01 . 1 . . . . 86 VAL H . 6995 1 613 . 1 1 86 86 VAL HA H 1 4.74 0.01 . 1 . . . . 86 VAL HA . 6995 1 614 . 1 1 86 86 VAL HB H 1 1.95 0.01 . 1 . . . . 86 VAL HB . 6995 1 615 . 1 1 86 86 VAL HG11 H 1 0.95 0.01 . 2 . . . . 86 VAL HG1 . 6995 1 616 . 1 1 86 86 VAL HG12 H 1 0.95 0.01 . 2 . . . . 86 VAL HG1 . 6995 1 617 . 1 1 86 86 VAL HG13 H 1 0.95 0.01 . 2 . . . . 86 VAL HG1 . 6995 1 618 . 1 1 86 86 VAL C C 13 174.45 0.1 . 1 . . . . 86 VAL C . 6995 1 619 . 1 1 86 86 VAL CA C 13 60.41 0.1 . 1 . . . . 86 VAL CA . 6995 1 620 . 1 1 86 86 VAL CB C 13 34.75 0.1 . 1 . . . . 86 VAL CB . 6995 1 621 . 1 1 86 86 VAL CG1 C 13 21.62 0.1 . 2 . . . . 86 VAL CG1 . 6995 1 622 . 1 1 86 86 VAL N N 15 126.74 0.1 . 1 . . . . 86 VAL N . 6995 1 623 . 1 1 87 87 ALA H H 1 7.86 0.01 . 1 . . . . 87 ALA H . 6995 1 624 . 1 1 87 87 ALA HA H 1 3.96 0.01 . 1 . . . . 87 ALA HA . 6995 1 625 . 1 1 87 87 ALA HB1 H 1 0.94 0.01 . 1 . . . . 87 ALA HB . 6995 1 626 . 1 1 87 87 ALA HB2 H 1 0.94 0.01 . 1 . . . . 87 ALA HB . 6995 1 627 . 1 1 87 87 ALA HB3 H 1 0.94 0.01 . 1 . . . . 87 ALA HB . 6995 1 628 . 1 1 87 87 ALA C C 13 178.25 0.1 . 1 . . . . 87 ALA C . 6995 1 629 . 1 1 87 87 ALA CA C 13 52.26 0.1 . 1 . . . . 87 ALA CA . 6995 1 630 . 1 1 87 87 ALA CB C 13 18.44 0.1 . 1 . . . . 87 ALA CB . 6995 1 631 . 1 1 87 87 ALA N N 15 130.97 0.1 . 1 . . . . 87 ALA N . 6995 1 632 . 1 1 88 88 ALA H H 1 8.98 0.01 . 1 . . . . 88 ALA H . 6995 1 633 . 1 1 88 88 ALA HA H 1 3.86 0.01 . 1 . . . . 88 ALA HA . 6995 1 634 . 1 1 88 88 ALA HB1 H 1 1.34 0.01 . 1 . . . . 88 ALA HB . 6995 1 635 . 1 1 88 88 ALA HB2 H 1 1.34 0.01 . 1 . . . . 88 ALA HB . 6995 1 636 . 1 1 88 88 ALA HB3 H 1 1.34 0.01 . 1 . . . . 88 ALA HB . 6995 1 637 . 1 1 88 88 ALA C C 13 176.71 0.1 . 1 . . . . 88 ALA C . 6995 1 638 . 1 1 88 88 ALA CA C 13 53.95 0.1 . 1 . . . . 88 ALA CA . 6995 1 639 . 1 1 88 88 ALA CB C 13 20.02 0.1 . 1 . . . . 88 ALA CB . 6995 1 640 . 1 1 88 88 ALA N N 15 122.91 0.1 . 1 . . . . 88 ALA N . 6995 1 641 . 1 1 89 89 ASP H H 1 8.63 0.01 . 1 . . . . 89 ASP H . 6995 1 642 . 1 1 89 89 ASP HA H 1 4.59 0.01 . 1 . . . . 89 ASP HA . 6995 1 643 . 1 1 89 89 ASP HB2 H 1 2.85 0.01 . 2 . . . . 89 ASP HB2 . 6995 1 644 . 1 1 89 89 ASP HB3 H 1 1.94 0.01 . 2 . . . . 89 ASP HB3 . 6995 1 645 . 1 1 89 89 ASP C C 13 175.16 0.1 . 1 . . . . 89 ASP C . 6995 1 646 . 1 1 89 89 ASP CA C 13 52.98 0.1 . 1 . . . . 89 ASP CA . 6995 1 647 . 1 1 89 89 ASP CB C 13 39.89 0.1 . 1 . . . . 89 ASP CB . 6995 1 648 . 1 1 89 89 ASP N N 15 115.34 0.1 . 1 . . . . 89 ASP N . 6995 1 649 . 1 1 90 90 ASP H H 1 7.69 0.01 . 1 . . . . 90 ASP H . 6995 1 650 . 1 1 90 90 ASP HA H 1 4.75 0.01 . 1 . . . . 90 ASP HA . 6995 1 651 . 1 1 90 90 ASP HB2 H 1 2.76 0.01 . 2 . . . . 90 ASP HB2 . 6995 1 652 . 1 1 90 90 ASP HB3 H 1 2.17 0.01 . 2 . . . . 90 ASP HB3 . 6995 1 653 . 1 1 90 90 ASP C C 13 175.98 0.1 . 1 . . . . 90 ASP C . 6995 1 654 . 1 1 90 90 ASP CA C 13 54.50 0.1 . 1 . . . . 90 ASP CA . 6995 1 655 . 1 1 90 90 ASP CB C 13 43.24 0.1 . 1 . . . . 90 ASP CB . 6995 1 656 . 1 1 90 90 ASP N N 15 122.88 0.1 . 1 . . . . 90 ASP N . 6995 1 657 . 1 1 91 91 GLY H H 1 7.74 0.01 . 1 . . . . 91 GLY H . 6995 1 658 . 1 1 91 91 GLY HA2 H 1 3.73 0.01 . 2 . . . . 91 GLY HA2 . 6995 1 659 . 1 1 91 91 GLY HA3 H 1 4.21 0.01 . 2 . . . . 91 GLY HA3 . 6995 1 660 . 1 1 91 91 GLY C C 13 171.97 0.1 . 1 . . . . 91 GLY C . 6995 1 661 . 1 1 91 91 GLY CA C 13 44.46 0.1 . 1 . . . . 91 GLY CA . 6995 1 662 . 1 1 91 91 GLY N N 15 106.12 0.1 . 1 . . . . 91 GLY N . 6995 1 663 . 1 1 92 92 VAL H H 1 8.58 0.01 . 1 . . . . 92 VAL H . 6995 1 664 . 1 1 92 92 VAL HA H 1 3.47 0.01 . 1 . . . . 92 VAL HA . 6995 1 665 . 1 1 92 92 VAL HB H 1 2.13 0.01 . 1 . . . . 92 VAL HB . 6995 1 666 . 1 1 92 92 VAL HG11 H 1 1.10 0.01 . 2 . . . . 92 VAL HG1 . 6995 1 667 . 1 1 92 92 VAL HG12 H 1 1.10 0.01 . 2 . . . . 92 VAL HG1 . 6995 1 668 . 1 1 92 92 VAL HG13 H 1 1.10 0.01 . 2 . . . . 92 VAL HG1 . 6995 1 669 . 1 1 92 92 VAL HG21 H 1 0.76 0.01 . 2 . . . . 92 VAL HG2 . 6995 1 670 . 1 1 92 92 VAL HG22 H 1 0.76 0.01 . 2 . . . . 92 VAL HG2 . 6995 1 671 . 1 1 92 92 VAL HG23 H 1 0.76 0.01 . 2 . . . . 92 VAL HG2 . 6995 1 672 . 1 1 92 92 VAL C C 13 175.71 0.1 . 1 . . . . 92 VAL C . 6995 1 673 . 1 1 92 92 VAL CA C 13 65.35 0.1 . 1 . . . . 92 VAL CA . 6995 1 674 . 1 1 92 92 VAL CB C 13 31.11 0.1 . 1 . . . . 92 VAL CB . 6995 1 675 . 1 1 92 92 VAL CG1 C 13 24.56 0.1 . 2 . . . . 92 VAL CG1 . 6995 1 676 . 1 1 92 92 VAL CG2 C 13 21.74 0.1 . 2 . . . . 92 VAL CG2 . 6995 1 677 . 1 1 92 92 VAL N N 15 119.41 0.1 . 1 . . . . 92 VAL N . 6995 1 678 . 1 1 93 93 MET H H 1 7.60 0.01 . 1 . . . . 93 MET H . 6995 1 679 . 1 1 93 93 MET HA H 1 5.21 0.01 . 1 . . . . 93 MET HA . 6995 1 680 . 1 1 93 93 MET HB2 H 1 0.97 0.01 . 2 . . . . 93 MET HB2 . 6995 1 681 . 1 1 93 93 MET HG2 H 1 2.51 0.01 . 2 . . . . 93 MET HG2 . 6995 1 682 . 1 1 93 93 MET HE1 H 1 2.05 0.01 . 1 . . . . 93 MET HE . 6995 1 683 . 1 1 93 93 MET HE2 H 1 2.05 0.01 . 1 . . . . 93 MET HE . 6995 1 684 . 1 1 93 93 MET HE3 H 1 2.05 0.01 . 1 . . . . 93 MET HE . 6995 1 685 . 1 1 93 93 MET CA C 13 52.69 0.1 . 1 . . . . 93 MET CA . 6995 1 686 . 1 1 93 93 MET CB C 13 32.14 0.1 . 1 . . . . 93 MET CB . 6995 1 687 . 1 1 93 93 MET CG C 13 32.91 0.1 . 1 . . . . 93 MET CG . 6995 1 688 . 1 1 93 93 MET CE C 13 17.93 0.1 . 1 . . . . 93 MET CE . 6995 1 689 . 1 1 93 93 MET N N 15 129.34 0.1 . 1 . . . . 93 MET N . 6995 1 690 . 1 1 94 94 PRO HA H 1 4.28 0.01 . 1 . . . . 94 PRO HA . 6995 1 691 . 1 1 94 94 PRO HB2 H 1 2.55 0.01 . 2 . . . . 94 PRO HB2 . 6995 1 692 . 1 1 94 94 PRO HB3 H 1 2.09 0.01 . 2 . . . . 94 PRO HB3 . 6995 1 693 . 1 1 94 94 PRO HG2 H 1 2.35 0.01 . 2 . . . . 94 PRO HG2 . 6995 1 694 . 1 1 94 94 PRO HG3 H 1 2.12 0.01 . 2 . . . . 94 PRO HG3 . 6995 1 695 . 1 1 94 94 PRO HD2 H 1 3.92 0.01 . 2 . . . . 94 PRO HD2 . 6995 1 696 . 1 1 94 94 PRO HD3 H 1 3.58 0.01 . 2 . . . . 94 PRO HD3 . 6995 1 697 . 1 1 94 94 PRO C C 13 179.83 0.1 . 1 . . . . 94 PRO C . 6995 1 698 . 1 1 94 94 PRO CA C 13 67.77 0.1 . 1 . . . . 94 PRO CA . 6995 1 699 . 1 1 94 94 PRO CB C 13 32.47 0.1 . 1 . . . . 94 PRO CB . 6995 1 700 . 1 1 94 94 PRO CG C 13 28.22 0.1 . 1 . . . . 94 PRO CG . 6995 1 701 . 1 1 94 94 PRO CD C 13 50.97 0.1 . 1 . . . . 94 PRO CD . 6995 1 702 . 1 1 95 95 GLN H H 1 9.86 0.01 . 1 . . . . 95 GLN H . 6995 1 703 . 1 1 95 95 GLN HA H 1 4.39 0.01 . 1 . . . . 95 GLN HA . 6995 1 704 . 1 1 95 95 GLN HB2 H 1 2.04 0.01 . 2 . . . . 95 GLN HB2 . 6995 1 705 . 1 1 95 95 GLN HG2 H 1 2.57 0.01 . 2 . . . . 95 GLN HG2 . 6995 1 706 . 1 1 95 95 GLN HE21 H 1 7.47 0.01 . 2 . . . . 95 GLN HE21 . 6995 1 707 . 1 1 95 95 GLN HE22 H 1 6.45 0.01 . 2 . . . . 95 GLN HE22 . 6995 1 708 . 1 1 95 95 GLN C C 13 179.61 0.1 . 1 . . . . 95 GLN C . 6995 1 709 . 1 1 95 95 GLN CA C 13 58.87 0.1 . 1 . . . . 95 GLN CA . 6995 1 710 . 1 1 95 95 GLN CB C 13 27.47 0.1 . 1 . . . . 95 GLN CB . 6995 1 711 . 1 1 95 95 GLN CG C 13 34.51 0.1 . 1 . . . . 95 GLN CG . 6995 1 712 . 1 1 95 95 GLN N N 15 115.60 0.1 . 1 . . . . 95 GLN N . 6995 1 713 . 1 1 95 95 GLN NE2 N 15 111.76 0.1 . 1 . . . . 95 GLN NE2 . 6995 1 714 . 1 1 96 96 THR H H 1 8.04 0.01 . 1 . . . . 96 THR H . 6995 1 715 . 1 1 96 96 THR HA H 1 3.74 0.01 . 1 . . . . 96 THR HA . 6995 1 716 . 1 1 96 96 THR HB H 1 4.68 0.01 . 1 . . . . 96 THR HB . 6995 1 717 . 1 1 96 96 THR HG21 H 1 1.37 0.01 . 1 . . . . 96 THR HG2 . 6995 1 718 . 1 1 96 96 THR HG22 H 1 1.37 0.01 . 1 . . . . 96 THR HG2 . 6995 1 719 . 1 1 96 96 THR HG23 H 1 1.37 0.01 . 1 . . . . 96 THR HG2 . 6995 1 720 . 1 1 96 96 THR C C 13 175.62 0.1 . 1 . . . . 96 THR C . 6995 1 721 . 1 1 96 96 THR CA C 13 67.37 0.1 . 1 . . . . 96 THR CA . 6995 1 722 . 1 1 96 96 THR CB C 13 67.75 0.1 . 1 . . . . 96 THR CB . 6995 1 723 . 1 1 96 96 THR CG2 C 13 24.37 0.1 . 1 . . . . 96 THR CG2 . 6995 1 724 . 1 1 96 96 THR N N 15 120.23 0.1 . 1 . . . . 96 THR N . 6995 1 725 . 1 1 97 97 VAL H H 1 7.17 0.01 . 1 . . . . 97 VAL H . 6995 1 726 . 1 1 97 97 VAL HA H 1 3.07 0.01 . 1 . . . . 97 VAL HA . 6995 1 727 . 1 1 97 97 VAL HB H 1 2.09 0.01 . 1 . . . . 97 VAL HB . 6995 1 728 . 1 1 97 97 VAL HG11 H 1 0.58 0.01 . 2 . . . . 97 VAL HG1 . 6995 1 729 . 1 1 97 97 VAL HG12 H 1 0.58 0.01 . 2 . . . . 97 VAL HG1 . 6995 1 730 . 1 1 97 97 VAL HG13 H 1 0.58 0.01 . 2 . . . . 97 VAL HG1 . 6995 1 731 . 1 1 97 97 VAL HG21 H 1 0.83 0.01 . 2 . . . . 97 VAL HG2 . 6995 1 732 . 1 1 97 97 VAL HG22 H 1 0.83 0.01 . 2 . . . . 97 VAL HG2 . 6995 1 733 . 1 1 97 97 VAL HG23 H 1 0.83 0.01 . 2 . . . . 97 VAL HG2 . 6995 1 734 . 1 1 97 97 VAL C C 13 177.46 0.1 . 1 . . . . 97 VAL C . 6995 1 735 . 1 1 97 97 VAL CA C 13 66.51 0.1 . 1 . . . . 97 VAL CA . 6995 1 736 . 1 1 97 97 VAL CB C 13 31.65 0.1 . 1 . . . . 97 VAL CB . 6995 1 737 . 1 1 97 97 VAL CG1 C 13 21.83 0.1 . 2 . . . . 97 VAL CG1 . 6995 1 738 . 1 1 97 97 VAL CG2 C 13 21.02 0.1 . 2 . . . . 97 VAL CG2 . 6995 1 739 . 1 1 97 97 VAL N N 15 121.05 0.1 . 1 . . . . 97 VAL N . 6995 1 740 . 1 1 98 98 GLU H H 1 7.62 0.01 . 1 . . . . 98 GLU H . 6995 1 741 . 1 1 98 98 GLU HA H 1 3.98 0.01 . 1 . . . . 98 GLU HA . 6995 1 742 . 1 1 98 98 GLU HB2 H 1 2.02 0.01 . 2 . . . . 98 GLU HB2 . 6995 1 743 . 1 1 98 98 GLU HG2 H 1 2.41 0.01 . 2 . . . . 98 GLU HG2 . 6995 1 744 . 1 1 98 98 GLU HG3 H 1 2.22 0.01 . 2 . . . . 98 GLU HG3 . 6995 1 745 . 1 1 98 98 GLU C C 13 178.40 0.1 . 1 . . . . 98 GLU C . 6995 1 746 . 1 1 98 98 GLU CA C 13 59.44 0.1 . 1 . . . . 98 GLU CA . 6995 1 747 . 1 1 98 98 GLU CB C 13 29.98 0.1 . 1 . . . . 98 GLU CB . 6995 1 748 . 1 1 98 98 GLU CG C 13 36.52 0.1 . 1 . . . . 98 GLU CG . 6995 1 749 . 1 1 98 98 GLU N N 15 118.82 0.1 . 1 . . . . 98 GLU N . 6995 1 750 . 1 1 99 99 ALA H H 1 7.45 0.01 . 1 . . . . 99 ALA H . 6995 1 751 . 1 1 99 99 ALA HA H 1 4.02 0.01 . 1 . . . . 99 ALA HA . 6995 1 752 . 1 1 99 99 ALA HB1 H 1 1.56 0.01 . 1 . . . . 99 ALA HB . 6995 1 753 . 1 1 99 99 ALA HB2 H 1 1.56 0.01 . 1 . . . . 99 ALA HB . 6995 1 754 . 1 1 99 99 ALA HB3 H 1 1.56 0.01 . 1 . . . . 99 ALA HB . 6995 1 755 . 1 1 99 99 ALA C C 13 178.77 0.1 . 1 . . . . 99 ALA C . 6995 1 756 . 1 1 99 99 ALA CA C 13 55.49 0.1 . 1 . . . . 99 ALA CA . 6995 1 757 . 1 1 99 99 ALA CB C 13 18.98 0.1 . 1 . . . . 99 ALA CB . 6995 1 758 . 1 1 99 99 ALA N N 15 121.43 0.1 . 1 . . . . 99 ALA N . 6995 1 759 . 1 1 100 100 ILE H H 1 7.74 0.01 . 1 . . . . 100 ILE H . 6995 1 760 . 1 1 100 100 ILE HA H 1 3.37 0.01 . 1 . . . . 100 ILE HA . 6995 1 761 . 1 1 100 100 ILE HB H 1 1.92 0.01 . 1 . . . . 100 ILE HB . 6995 1 762 . 1 1 100 100 ILE HG12 H 1 0.65 0.01 . 2 . . . . 100 ILE HG12 . 6995 1 763 . 1 1 100 100 ILE HG21 H 1 0.92 0.01 . 1 . . . . 100 ILE HG2 . 6995 1 764 . 1 1 100 100 ILE HG22 H 1 0.92 0.01 . 1 . . . . 100 ILE HG2 . 6995 1 765 . 1 1 100 100 ILE HG23 H 1 0.92 0.01 . 1 . . . . 100 ILE HG2 . 6995 1 766 . 1 1 100 100 ILE HD11 H 1 0.50 0.01 . 1 . . . . 100 ILE HD1 . 6995 1 767 . 1 1 100 100 ILE HD12 H 1 0.50 0.01 . 1 . . . . 100 ILE HD1 . 6995 1 768 . 1 1 100 100 ILE HD13 H 1 0.50 0.01 . 1 . . . . 100 ILE HD1 . 6995 1 769 . 1 1 100 100 ILE C C 13 177.51 0.1 . 1 . . . . 100 ILE C . 6995 1 770 . 1 1 100 100 ILE CA C 13 66.00 0.1 . 1 . . . . 100 ILE CA . 6995 1 771 . 1 1 100 100 ILE CB C 13 38.14 0.1 . 1 . . . . 100 ILE CB . 6995 1 772 . 1 1 100 100 ILE CG1 C 13 29.89 0.1 . 1 . . . . 100 ILE CG1 . 6995 1 773 . 1 1 100 100 ILE CG2 C 13 17.38 0.1 . 1 . . . . 100 ILE CG2 . 6995 1 774 . 1 1 100 100 ILE CD1 C 13 13.88 0.1 . 1 . . . . 100 ILE CD1 . 6995 1 775 . 1 1 100 100 ILE N N 15 118.72 0.1 . 1 . . . . 100 ILE N . 6995 1 776 . 1 1 101 101 ASN H H 1 8.20 0.01 . 1 . . . . 101 ASN H . 6995 1 777 . 1 1 101 101 ASN HA H 1 4.49 0.01 . 1 . . . . 101 ASN HA . 6995 1 778 . 1 1 101 101 ASN HB2 H 1 2.86 0.01 . 2 . . . . 101 ASN HB2 . 6995 1 779 . 1 1 101 101 ASN HB3 H 1 2.76 0.01 . 2 . . . . 101 ASN HB3 . 6995 1 780 . 1 1 101 101 ASN HD21 H 1 7.40 0.01 . 2 . . . . 101 ASN HD21 . 6995 1 781 . 1 1 101 101 ASN HD22 H 1 6.72 0.01 . 2 . . . . 101 ASN HD22 . 6995 1 782 . 1 1 101 101 ASN C C 13 178.96 0.1 . 1 . . . . 101 ASN C . 6995 1 783 . 1 1 101 101 ASN CA C 13 56.03 0.1 . 1 . . . . 101 ASN CA . 6995 1 784 . 1 1 101 101 ASN CB C 13 37.35 0.1 . 1 . . . . 101 ASN CB . 6995 1 785 . 1 1 101 101 ASN N N 15 117.90 0.1 . 1 . . . . 101 ASN N . 6995 1 786 . 1 1 101 101 ASN ND2 N 15 112.16 0.1 . 1 . . . . 101 ASN ND2 . 6995 1 787 . 1 1 102 102 HIS H H 1 8.30 0.01 . 1 . . . . 102 HIS H . 6995 1 788 . 1 1 102 102 HIS HA H 1 4.43 0.01 . 1 . . . . 102 HIS HA . 6995 1 789 . 1 1 102 102 HIS HB2 H 1 3.11 0.01 . 2 . . . . 102 HIS HB2 . 6995 1 790 . 1 1 102 102 HIS HB3 H 1 2.92 0.01 . 2 . . . . 102 HIS HB3 . 6995 1 791 . 1 1 102 102 HIS HD2 H 1 6.84 0.01 . 1 . . . . 102 HIS HD2 . 6995 1 792 . 1 1 102 102 HIS HE1 H 1 7.91 0.01 . 1 . . . . 102 HIS HE1 . 6995 1 793 . 1 1 102 102 HIS C C 13 177.81 0.1 . 1 . . . . 102 HIS C . 6995 1 794 . 1 1 102 102 HIS CA C 13 59.23 0.1 . 1 . . . . 102 HIS CA . 6995 1 795 . 1 1 102 102 HIS CB C 13 30.11 0.1 . 1 . . . . 102 HIS CB . 6995 1 796 . 1 1 102 102 HIS CD2 C 13 119.51 0.1 . 1 . . . . 102 HIS CD2 . 6995 1 797 . 1 1 102 102 HIS CE1 C 13 138.12 0.1 . 1 . . . . 102 HIS CE1 . 6995 1 798 . 1 1 102 102 HIS N N 15 121.36 0.1 . 1 . . . . 102 HIS N . 6995 1 799 . 1 1 103 103 ALA H H 1 8.44 0.01 . 1 . . . . 103 ALA H . 6995 1 800 . 1 1 103 103 ALA HA H 1 3.99 0.01 . 1 . . . . 103 ALA HA . 6995 1 801 . 1 1 103 103 ALA HB1 H 1 1.46 0.01 . 1 . . . . 103 ALA HB . 6995 1 802 . 1 1 103 103 ALA HB2 H 1 1.46 0.01 . 1 . . . . 103 ALA HB . 6995 1 803 . 1 1 103 103 ALA HB3 H 1 1.46 0.01 . 1 . . . . 103 ALA HB . 6995 1 804 . 1 1 103 103 ALA C C 13 179.88 0.1 . 1 . . . . 103 ALA C . 6995 1 805 . 1 1 103 103 ALA CA C 13 55.50 0.1 . 1 . . . . 103 ALA CA . 6995 1 806 . 1 1 103 103 ALA CB C 13 17.89 0.1 . 1 . . . . 103 ALA CB . 6995 1 807 . 1 1 103 103 ALA N N 15 123.52 0.1 . 1 . . . . 103 ALA N . 6995 1 808 . 1 1 104 104 LYS H H 1 8.81 0.01 . 1 . . . . 104 LYS H . 6995 1 809 . 1 1 104 104 LYS HA H 1 4.26 0.01 . 1 . . . . 104 LYS HA . 6995 1 810 . 1 1 104 104 LYS HB2 H 1 2.08 0.01 . 2 . . . . 104 LYS HB2 . 6995 1 811 . 1 1 104 104 LYS HB3 H 1 1.91 0.01 . 2 . . . . 104 LYS HB3 . 6995 1 812 . 1 1 104 104 LYS HG2 H 1 1.59 0.01 . 2 . . . . 104 LYS HG2 . 6995 1 813 . 1 1 104 104 LYS HD2 H 1 1.79 0.01 . 2 . . . . 104 LYS HD2 . 6995 1 814 . 1 1 104 104 LYS HE2 H 1 3.09 0.01 . 2 . . . . 104 LYS HE2 . 6995 1 815 . 1 1 104 104 LYS HE3 H 1 2.97 0.01 . 2 . . . . 104 LYS HE3 . 6995 1 816 . 1 1 104 104 LYS C C 13 180.84 0.1 . 1 . . . . 104 LYS C . 6995 1 817 . 1 1 104 104 LYS CA C 13 59.20 0.1 . 1 . . . . 104 LYS CA . 6995 1 818 . 1 1 104 104 LYS CB C 13 32.45 0.1 . 1 . . . . 104 LYS CB . 6995 1 819 . 1 1 104 104 LYS CG C 13 25.74 0.1 . 1 . . . . 104 LYS CG . 6995 1 820 . 1 1 104 104 LYS CD C 13 29.25 0.1 . 1 . . . . 104 LYS CD . 6995 1 821 . 1 1 104 104 LYS CE C 13 41.96 0.1 . 1 . . . . 104 LYS CE . 6995 1 822 . 1 1 104 104 LYS N N 15 118.10 0.1 . 1 . . . . 104 LYS N . 6995 1 823 . 1 1 105 105 ALA H H 1 7.88 0.01 . 1 . . . . 105 ALA H . 6995 1 824 . 1 1 105 105 ALA HA H 1 4.21 0.01 . 1 . . . . 105 ALA HA . 6995 1 825 . 1 1 105 105 ALA HB1 H 1 1.57 0.01 . 1 . . . . 105 ALA HB . 6995 1 826 . 1 1 105 105 ALA HB2 H 1 1.57 0.01 . 1 . . . . 105 ALA HB . 6995 1 827 . 1 1 105 105 ALA HB3 H 1 1.57 0.01 . 1 . . . . 105 ALA HB . 6995 1 828 . 1 1 105 105 ALA C C 13 178.66 0.1 . 1 . . . . 105 ALA C . 6995 1 829 . 1 1 105 105 ALA CA C 13 54.61 0.1 . 1 . . . . 105 ALA CA . 6995 1 830 . 1 1 105 105 ALA CB C 13 17.99 0.1 . 1 . . . . 105 ALA CB . 6995 1 831 . 1 1 105 105 ALA N N 15 122.73 0.1 . 1 . . . . 105 ALA N . 6995 1 832 . 1 1 106 106 ALA H H 1 7.39 0.01 . 1 . . . . 106 ALA H . 6995 1 833 . 1 1 106 106 ALA HA H 1 4.44 0.01 . 1 . . . . 106 ALA HA . 6995 1 834 . 1 1 106 106 ALA HB1 H 1 1.52 0.01 . 1 . . . . 106 ALA HB . 6995 1 835 . 1 1 106 106 ALA HB2 H 1 1.52 0.01 . 1 . . . . 106 ALA HB . 6995 1 836 . 1 1 106 106 ALA HB3 H 1 1.52 0.01 . 1 . . . . 106 ALA HB . 6995 1 837 . 1 1 106 106 ALA C C 13 176.17 0.1 . 1 . . . . 106 ALA C . 6995 1 838 . 1 1 106 106 ALA CA C 13 51.74 0.1 . 1 . . . . 106 ALA CA . 6995 1 839 . 1 1 106 106 ALA CB C 13 19.57 0.1 . 1 . . . . 106 ALA CB . 6995 1 840 . 1 1 106 106 ALA N N 15 119.04 0.1 . 1 . . . . 106 ALA N . 6995 1 841 . 1 1 107 107 ASN H H 1 8.00 0.01 . 1 . . . . 107 ASN H . 6995 1 842 . 1 1 107 107 ASN HA H 1 4.41 0.01 . 1 . . . . 107 ASN HA . 6995 1 843 . 1 1 107 107 ASN HB2 H 1 3.27 0.01 . 2 . . . . 107 ASN HB2 . 6995 1 844 . 1 1 107 107 ASN HB3 H 1 2.77 0.01 . 2 . . . . 107 ASN HB3 . 6995 1 845 . 1 1 107 107 ASN HD21 H 1 7.48 0.01 . 2 . . . . 107 ASN HD21 . 6995 1 846 . 1 1 107 107 ASN HD22 H 1 6.76 0.01 . 2 . . . . 107 ASN HD22 . 6995 1 847 . 1 1 107 107 ASN C C 13 173.94 0.1 . 1 . . . . 107 ASN C . 6995 1 848 . 1 1 107 107 ASN CA C 13 54.08 0.1 . 1 . . . . 107 ASN CA . 6995 1 849 . 1 1 107 107 ASN CB C 13 37.27 0.1 . 1 . . . . 107 ASN CB . 6995 1 850 . 1 1 107 107 ASN N N 15 116.95 0.1 . 1 . . . . 107 ASN N . 6995 1 851 . 1 1 107 107 ASN ND2 N 15 113.00 0.1 . 1 . . . . 107 ASN ND2 . 6995 1 852 . 1 1 108 108 VAL H H 1 7.66 0.01 . 1 . . . . 108 VAL H . 6995 1 853 . 1 1 108 108 VAL HA H 1 4.66 0.01 . 1 . . . . 108 VAL HA . 6995 1 854 . 1 1 108 108 VAL HB H 1 2.04 0.01 . 1 . . . . 108 VAL HB . 6995 1 855 . 1 1 108 108 VAL HG11 H 1 1.00 0.01 . 2 . . . . 108 VAL HG1 . 6995 1 856 . 1 1 108 108 VAL HG12 H 1 1.00 0.01 . 2 . . . . 108 VAL HG1 . 6995 1 857 . 1 1 108 108 VAL HG13 H 1 1.00 0.01 . 2 . . . . 108 VAL HG1 . 6995 1 858 . 1 1 108 108 VAL HG21 H 1 0.89 0.01 . 2 . . . . 108 VAL HG2 . 6995 1 859 . 1 1 108 108 VAL HG22 H 1 0.89 0.01 . 2 . . . . 108 VAL HG2 . 6995 1 860 . 1 1 108 108 VAL HG23 H 1 0.89 0.01 . 2 . . . . 108 VAL HG2 . 6995 1 861 . 1 1 108 108 VAL CA C 13 58.55 0.1 . 1 . . . . 108 VAL CA . 6995 1 862 . 1 1 108 108 VAL CB C 13 33.00 0.1 . 1 . . . . 108 VAL CB . 6995 1 863 . 1 1 108 108 VAL CG1 C 13 22.05 0.1 . 2 . . . . 108 VAL CG1 . 6995 1 864 . 1 1 108 108 VAL CG2 C 13 20.72 0.1 . 2 . . . . 108 VAL CG2 . 6995 1 865 . 1 1 108 108 VAL N N 15 117.10 0.1 . 1 . . . . 108 VAL N . 6995 1 866 . 1 1 109 109 PRO HA H 1 4.39 0.01 . 1 . . . . 109 PRO HA . 6995 1 867 . 1 1 109 109 PRO HB2 H 1 2.31 0.01 . 2 . . . . 109 PRO HB2 . 6995 1 868 . 1 1 109 109 PRO HB3 H 1 1.74 0.01 . 2 . . . . 109 PRO HB3 . 6995 1 869 . 1 1 109 109 PRO HG2 H 1 1.94 0.01 . 2 . . . . 109 PRO HG2 . 6995 1 870 . 1 1 109 109 PRO HD2 H 1 3.82 0.01 . 2 . . . . 109 PRO HD2 . 6995 1 871 . 1 1 109 109 PRO HD3 H 1 4.26 0.01 . 2 . . . . 109 PRO HD3 . 6995 1 872 . 1 1 109 109 PRO C C 13 174.53 0.1 . 1 . . . . 109 PRO C . 6995 1 873 . 1 1 109 109 PRO CA C 13 63.09 0.1 . 1 . . . . 109 PRO CA . 6995 1 874 . 1 1 109 109 PRO CB C 13 32.85 0.1 . 1 . . . . 109 PRO CB . 6995 1 875 . 1 1 109 109 PRO CG C 13 27.79 0.1 . 1 . . . . 109 PRO CG . 6995 1 876 . 1 1 109 109 PRO CD C 13 50.77 0.1 . 1 . . . . 109 PRO CD . 6995 1 877 . 1 1 110 110 ILE H H 1 7.67 0.01 . 1 . . . . 110 ILE H . 6995 1 878 . 1 1 110 110 ILE HA H 1 4.89 0.01 . 1 . . . . 110 ILE HA . 6995 1 879 . 1 1 110 110 ILE HB H 1 1.53 0.01 . 1 . . . . 110 ILE HB . 6995 1 880 . 1 1 110 110 ILE HG12 H 1 1.89 0.01 . 2 . . . . 110 ILE HG12 . 6995 1 881 . 1 1 110 110 ILE HG13 H 1 0.54 0.01 . 2 . . . . 110 ILE HG13 . 6995 1 882 . 1 1 110 110 ILE HG21 H 1 0.62 0.01 . 1 . . . . 110 ILE HG2 . 6995 1 883 . 1 1 110 110 ILE HG22 H 1 0.62 0.01 . 1 . . . . 110 ILE HG2 . 6995 1 884 . 1 1 110 110 ILE HG23 H 1 0.62 0.01 . 1 . . . . 110 ILE HG2 . 6995 1 885 . 1 1 110 110 ILE HD11 H 1 0.93 0.01 . 1 . . . . 110 ILE HD1 . 6995 1 886 . 1 1 110 110 ILE HD12 H 1 0.93 0.01 . 1 . . . . 110 ILE HD1 . 6995 1 887 . 1 1 110 110 ILE HD13 H 1 0.93 0.01 . 1 . . . . 110 ILE HD1 . 6995 1 888 . 1 1 110 110 ILE C C 13 176.10 0.1 . 1 . . . . 110 ILE C . 6995 1 889 . 1 1 110 110 ILE CA C 13 59.50 0.1 . 1 . . . . 110 ILE CA . 6995 1 890 . 1 1 110 110 ILE CB C 13 42.24 0.1 . 1 . . . . 110 ILE CB . 6995 1 891 . 1 1 110 110 ILE CG1 C 13 27.77 0.1 . 1 . . . . 110 ILE CG1 . 6995 1 892 . 1 1 110 110 ILE CG2 C 13 18.56 0.1 . 1 . . . . 110 ILE CG2 . 6995 1 893 . 1 1 110 110 ILE CD1 C 13 15.37 0.1 . 1 . . . . 110 ILE CD1 . 6995 1 894 . 1 1 110 110 ILE N N 15 120.77 0.1 . 1 . . . . 110 ILE N . 6995 1 895 . 1 1 111 111 ILE H H 1 8.73 0.01 . 1 . . . . 111 ILE H . 6995 1 896 . 1 1 111 111 ILE HA H 1 4.32 0.01 . 1 . . . . 111 ILE HA . 6995 1 897 . 1 1 111 111 ILE HB H 1 1.52 0.01 . 1 . . . . 111 ILE HB . 6995 1 898 . 1 1 111 111 ILE HG12 H 1 1.54 0.01 . 2 . . . . 111 ILE HG12 . 6995 1 899 . 1 1 111 111 ILE HG21 H 1 0.62 0.01 . 1 . . . . 111 ILE HG2 . 6995 1 900 . 1 1 111 111 ILE HG22 H 1 0.62 0.01 . 1 . . . . 111 ILE HG2 . 6995 1 901 . 1 1 111 111 ILE HG23 H 1 0.62 0.01 . 1 . . . . 111 ILE HG2 . 6995 1 902 . 1 1 111 111 ILE HD11 H 1 0.67 0.01 . 1 . . . . 111 ILE HD1 . 6995 1 903 . 1 1 111 111 ILE HD12 H 1 0.67 0.01 . 1 . . . . 111 ILE HD1 . 6995 1 904 . 1 1 111 111 ILE HD13 H 1 0.67 0.01 . 1 . . . . 111 ILE HD1 . 6995 1 905 . 1 1 111 111 ILE C C 13 175.15 0.1 . 1 . . . . 111 ILE C . 6995 1 906 . 1 1 111 111 ILE CA C 13 60.24 0.1 . 1 . . . . 111 ILE CA . 6995 1 907 . 1 1 111 111 ILE CB C 13 41.06 0.1 . 1 . . . . 111 ILE CB . 6995 1 908 . 1 1 111 111 ILE CG1 C 13 27.49 0.1 . 1 . . . . 111 ILE CG1 . 6995 1 909 . 1 1 111 111 ILE CG2 C 13 16.59 0.1 . 1 . . . . 111 ILE CG2 . 6995 1 910 . 1 1 111 111 ILE CD1 C 13 14.76 0.1 . 1 . . . . 111 ILE CD1 . 6995 1 911 . 1 1 111 111 ILE N N 15 127.66 0.1 . 1 . . . . 111 ILE N . 6995 1 912 . 1 1 112 112 VAL H H 1 8.50 0.01 . 1 . . . . 112 VAL H . 6995 1 913 . 1 1 112 112 VAL HA H 1 4.22 0.01 . 1 . . . . 112 VAL HA . 6995 1 914 . 1 1 112 112 VAL HB H 1 0.90 0.01 . 1 . . . . 112 VAL HB . 6995 1 915 . 1 1 112 112 VAL HG11 H 1 0.25 0.01 . 2 . . . . 112 VAL HG1 . 6995 1 916 . 1 1 112 112 VAL HG12 H 1 0.25 0.01 . 2 . . . . 112 VAL HG1 . 6995 1 917 . 1 1 112 112 VAL HG13 H 1 0.25 0.01 . 2 . . . . 112 VAL HG1 . 6995 1 918 . 1 1 112 112 VAL HG21 H 1 0.49 0.01 . 2 . . . . 112 VAL HG2 . 6995 1 919 . 1 1 112 112 VAL HG22 H 1 0.49 0.01 . 2 . . . . 112 VAL HG2 . 6995 1 920 . 1 1 112 112 VAL HG23 H 1 0.49 0.01 . 2 . . . . 112 VAL HG2 . 6995 1 921 . 1 1 112 112 VAL C C 13 173.51 0.1 . 1 . . . . 112 VAL C . 6995 1 922 . 1 1 112 112 VAL CA C 13 62.11 0.1 . 1 . . . . 112 VAL CA . 6995 1 923 . 1 1 112 112 VAL CB C 13 32.05 0.1 . 1 . . . . 112 VAL CB . 6995 1 924 . 1 1 112 112 VAL CG1 C 13 22.02 0.1 . 2 . . . . 112 VAL CG1 . 6995 1 925 . 1 1 112 112 VAL CG2 C 13 21.48 0.1 . 2 . . . . 112 VAL CG2 . 6995 1 926 . 1 1 112 112 VAL N N 15 128.60 0.1 . 1 . . . . 112 VAL N . 6995 1 927 . 1 1 113 113 ALA H H 1 9.09 0.01 . 1 . . . . 113 ALA H . 6995 1 928 . 1 1 113 113 ALA HA H 1 4.98 0.01 . 1 . . . . 113 ALA HA . 6995 1 929 . 1 1 113 113 ALA HB1 H 1 1.02 0.01 . 1 . . . . 113 ALA HB . 6995 1 930 . 1 1 113 113 ALA HB2 H 1 1.02 0.01 . 1 . . . . 113 ALA HB . 6995 1 931 . 1 1 113 113 ALA HB3 H 1 1.02 0.01 . 1 . . . . 113 ALA HB . 6995 1 932 . 1 1 113 113 ALA C C 13 174.83 0.1 . 1 . . . . 113 ALA C . 6995 1 933 . 1 1 113 113 ALA CA C 13 49.24 0.1 . 1 . . . . 113 ALA CA . 6995 1 934 . 1 1 113 113 ALA CB C 13 19.96 0.1 . 1 . . . . 113 ALA CB . 6995 1 935 . 1 1 113 113 ALA N N 15 133.30 0.1 . 1 . . . . 113 ALA N . 6995 1 936 . 1 1 114 114 ILE H H 1 9.01 0.01 . 1 . . . . 114 ILE H . 6995 1 937 . 1 1 114 114 ILE HA H 1 4.65 0.01 . 1 . . . . 114 ILE HA . 6995 1 938 . 1 1 114 114 ILE HB H 1 2.14 0.01 . 1 . . . . 114 ILE HB . 6995 1 939 . 1 1 114 114 ILE HG12 H 1 1.74 0.01 . 2 . . . . 114 ILE HG12 . 6995 1 940 . 1 1 114 114 ILE HG13 H 1 1.05 0.01 . 2 . . . . 114 ILE HG13 . 6995 1 941 . 1 1 114 114 ILE HG21 H 1 1.02 0.01 . 1 . . . . 114 ILE HG2 . 6995 1 942 . 1 1 114 114 ILE HG22 H 1 1.02 0.01 . 1 . . . . 114 ILE HG2 . 6995 1 943 . 1 1 114 114 ILE HG23 H 1 1.02 0.01 . 1 . . . . 114 ILE HG2 . 6995 1 944 . 1 1 114 114 ILE HD11 H 1 0.98 0.01 . 1 . . . . 114 ILE HD1 . 6995 1 945 . 1 1 114 114 ILE HD12 H 1 0.98 0.01 . 1 . . . . 114 ILE HD1 . 6995 1 946 . 1 1 114 114 ILE HD13 H 1 0.98 0.01 . 1 . . . . 114 ILE HD1 . 6995 1 947 . 1 1 114 114 ILE C C 13 173.44 0.1 . 1 . . . . 114 ILE C . 6995 1 948 . 1 1 114 114 ILE CA C 13 60.66 0.1 . 1 . . . . 114 ILE CA . 6995 1 949 . 1 1 114 114 ILE CB C 13 36.36 0.1 . 1 . . . . 114 ILE CB . 6995 1 950 . 1 1 114 114 ILE CG1 C 13 27.20 0.1 . 1 . . . . 114 ILE CG1 . 6995 1 951 . 1 1 114 114 ILE CG2 C 13 18.44 0.1 . 1 . . . . 114 ILE CG2 . 6995 1 952 . 1 1 114 114 ILE CD1 C 13 13.68 0.1 . 1 . . . . 114 ILE CD1 . 6995 1 953 . 1 1 114 114 ILE N N 15 126.03 0.1 . 1 . . . . 114 ILE N . 6995 1 954 . 1 1 115 115 ASN H H 1 8.49 0.01 . 1 . . . . 115 ASN H . 6995 1 955 . 1 1 115 115 ASN HA H 1 5.69 0.01 . 1 . . . . 115 ASN HA . 6995 1 956 . 1 1 115 115 ASN HB2 H 1 2.43 0.01 . 2 . . . . 115 ASN HB2 . 6995 1 957 . 1 1 115 115 ASN HD21 H 1 8.17 0.01 . 2 . . . . 115 ASN HD21 . 6995 1 958 . 1 1 115 115 ASN HD22 H 1 7.67 0.01 . 2 . . . . 115 ASN HD22 . 6995 1 959 . 1 1 115 115 ASN C C 13 175.25 0.1 . 1 . . . . 115 ASN C . 6995 1 960 . 1 1 115 115 ASN CA C 13 51.08 0.1 . 1 . . . . 115 ASN CA . 6995 1 961 . 1 1 115 115 ASN CB C 13 43.00 0.1 . 1 . . . . 115 ASN CB . 6995 1 962 . 1 1 115 115 ASN N N 15 125.17 0.1 . 1 . . . . 115 ASN N . 6995 1 963 . 1 1 115 115 ASN ND2 N 15 117.20 0.1 . 1 . . . . 115 ASN ND2 . 6995 1 964 . 1 1 116 116 LYS H H 1 7.97 0.01 . 1 . . . . 116 LYS H . 6995 1 965 . 1 1 116 116 LYS HA H 1 4.40 0.01 . 1 . . . . 116 LYS HA . 6995 1 966 . 1 1 116 116 LYS HB2 H 1 2.35 0.01 . 2 . . . . 116 LYS HB2 . 6995 1 967 . 1 1 116 116 LYS HB3 H 1 1.57 0.01 . 2 . . . . 116 LYS HB3 . 6995 1 968 . 1 1 116 116 LYS HG2 H 1 0.79 0.01 . 2 . . . . 116 LYS HG2 . 6995 1 969 . 1 1 116 116 LYS HG3 H 1 0.65 0.01 . 2 . . . . 116 LYS HG3 . 6995 1 970 . 1 1 116 116 LYS C C 13 176.89 0.1 . 1 . . . . 116 LYS C . 6995 1 971 . 1 1 116 116 LYS CA C 13 56.99 0.1 . 1 . . . . 116 LYS CA . 6995 1 972 . 1 1 116 116 LYS CB C 13 29.05 0.1 . 1 . . . . 116 LYS CB . 6995 1 973 . 1 1 116 116 LYS CG C 13 25.88 0.1 . 1 . . . . 116 LYS CG . 6995 1 974 . 1 1 116 116 LYS CD C 13 31.05 0.1 . 1 . . . . 116 LYS CD . 6995 1 975 . 1 1 116 116 LYS CE C 13 41.64 0.1 . 1 . . . . 116 LYS CE . 6995 1 976 . 1 1 116 116 LYS N N 15 113.49 0.1 . 1 . . . . 116 LYS N . 6995 1 977 . 1 1 117 117 MET H H 1 7.87 0.01 . 1 . . . . 117 MET H . 6995 1 978 . 1 1 117 117 MET HA H 1 4.31 0.01 . 1 . . . . 117 MET HA . 6995 1 979 . 1 1 117 117 MET HB2 H 1 2.06 0.01 . 2 . . . . 117 MET HB2 . 6995 1 980 . 1 1 117 117 MET HB3 H 1 1.61 0.01 . 2 . . . . 117 MET HB3 . 6995 1 981 . 1 1 117 117 MET HG2 H 1 2.67 0.01 . 2 . . . . 117 MET HG2 . 6995 1 982 . 1 1 117 117 MET HE1 H 1 2.04 0.01 . 1 . . . . 117 MET HE . 6995 1 983 . 1 1 117 117 MET HE2 H 1 2.04 0.01 . 1 . . . . 117 MET HE . 6995 1 984 . 1 1 117 117 MET HE3 H 1 2.04 0.01 . 1 . . . . 117 MET HE . 6995 1 985 . 1 1 117 117 MET C C 13 175.65 0.1 . 1 . . . . 117 MET C . 6995 1 986 . 1 1 117 117 MET CA C 13 54.72 0.1 . 1 . . . . 117 MET CA . 6995 1 987 . 1 1 117 117 MET CB C 13 29.51 0.1 . 1 . . . . 117 MET CB . 6995 1 988 . 1 1 117 117 MET CG C 13 32.56 0.1 . 1 . . . . 117 MET CG . 6995 1 989 . 1 1 117 117 MET CE C 13 14.72 0.1 . 1 . . . . 117 MET CE . 6995 1 990 . 1 1 117 117 MET N N 15 114.17 0.1 . 1 . . . . 117 MET N . 6995 1 991 . 1 1 118 118 ASP H H 1 9.17 0.01 . 1 . . . . 118 ASP H . 6995 1 992 . 1 1 118 118 ASP HA H 1 4.50 0.01 . 1 . . . . 118 ASP HA . 6995 1 993 . 1 1 118 118 ASP HB2 H 1 2.75 0.01 . 2 . . . . 118 ASP HB2 . 6995 1 994 . 1 1 118 118 ASP C C 13 176.16 0.1 . 1 . . . . 118 ASP C . 6995 1 995 . 1 1 118 118 ASP CA C 13 54.10 0.1 . 1 . . . . 118 ASP CA . 6995 1 996 . 1 1 118 118 ASP CB C 13 41.45 0.1 . 1 . . . . 118 ASP CB . 6995 1 997 . 1 1 118 118 ASP N N 15 114.94 0.1 . 1 . . . . 118 ASP N . 6995 1 998 . 1 1 119 119 LYS H H 1 7.54 0.01 . 1 . . . . 119 LYS H . 6995 1 999 . 1 1 119 119 LYS HA H 1 4.54 0.01 . 1 . . . . 119 LYS HA . 6995 1 1000 . 1 1 119 119 LYS HB2 H 1 2.20 0.01 . 2 . . . . 119 LYS HB2 . 6995 1 1001 . 1 1 119 119 LYS HB3 H 1 1.70 0.01 . 2 . . . . 119 LYS HB3 . 6995 1 1002 . 1 1 119 119 LYS HG2 H 1 1.78 0.01 . 2 . . . . 119 LYS HG2 . 6995 1 1003 . 1 1 119 119 LYS HG3 H 1 1.44 0.01 . 2 . . . . 119 LYS HG3 . 6995 1 1004 . 1 1 119 119 LYS HD2 H 1 2.20 0.01 . 2 . . . . 119 LYS HD2 . 6995 1 1005 . 1 1 119 119 LYS HE2 H 1 3.17 0.01 . 2 . . . . 119 LYS HE2 . 6995 1 1006 . 1 1 119 119 LYS CA C 13 55.48 0.1 . 1 . . . . 119 LYS CA . 6995 1 1007 . 1 1 119 119 LYS CB C 13 30.89 0.1 . 1 . . . . 119 LYS CB . 6995 1 1008 . 1 1 119 119 LYS CG C 13 26.41 0.1 . 1 . . . . 119 LYS CG . 6995 1 1009 . 1 1 119 119 LYS CD C 13 30.89 0.1 . 1 . . . . 119 LYS CD . 6995 1 1010 . 1 1 119 119 LYS CE C 13 41.92 0.1 . 1 . . . . 119 LYS CE . 6995 1 1011 . 1 1 119 119 LYS N N 15 122.13 0.1 . 1 . . . . 119 LYS N . 6995 1 1012 . 1 1 120 120 PRO HA H 1 4.41 0.01 . 1 . . . . 120 PRO HA . 6995 1 1013 . 1 1 120 120 PRO HB2 H 1 2.46 0.01 . 2 . . . . 120 PRO HB2 . 6995 1 1014 . 1 1 120 120 PRO HB3 H 1 1.99 0.01 . 2 . . . . 120 PRO HB3 . 6995 1 1015 . 1 1 120 120 PRO HG2 H 1 2.19 0.01 . 2 . . . . 120 PRO HG2 . 6995 1 1016 . 1 1 120 120 PRO HD2 H 1 3.95 0.01 . 2 . . . . 120 PRO HD2 . 6995 1 1017 . 1 1 120 120 PRO HD3 H 1 3.93 0.01 . 2 . . . . 120 PRO HD3 . 6995 1 1018 . 1 1 120 120 PRO C C 13 177.90 0.1 . 1 . . . . 120 PRO C . 6995 1 1019 . 1 1 120 120 PRO CA C 13 64.98 0.1 . 1 . . . . 120 PRO CA . 6995 1 1020 . 1 1 120 120 PRO CB C 13 31.82 0.1 . 1 . . . . 120 PRO CB . 6995 1 1021 . 1 1 120 120 PRO CG C 13 27.69 0.1 . 1 . . . . 120 PRO CG . 6995 1 1022 . 1 1 120 120 PRO CD C 13 50.67 0.1 . 1 . . . . 120 PRO CD . 6995 1 1023 . 1 1 121 121 GLU H H 1 8.77 0.01 . 1 . . . . 121 GLU H . 6995 1 1024 . 1 1 121 121 GLU HA H 1 4.32 0.01 . 1 . . . . 121 GLU HA . 6995 1 1025 . 1 1 121 121 GLU HG2 H 1 2.30 0.01 . 1 . . . . 121 GLU HG2 . 6995 1 1026 . 1 1 121 121 GLU HG3 H 1 2.30 0.01 . 1 . . . . 121 GLU HG3 . 6995 1 1027 . 1 1 121 121 GLU C C 13 176.11 0.1 . 1 . . . . 121 GLU C . 6995 1 1028 . 1 1 121 121 GLU CA C 13 56.56 0.1 . 1 . . . . 121 GLU CA . 6995 1 1029 . 1 1 121 121 GLU CB C 13 28.87 0.1 . 1 . . . . 121 GLU CB . 6995 1 1030 . 1 1 121 121 GLU CG C 13 36.49 0.1 . 1 . . . . 121 GLU CG . 6995 1 1031 . 1 1 121 121 GLU N N 15 115.19 0.1 . 1 . . . . 121 GLU N . 6995 1 1032 . 1 1 122 122 ALA H H 1 7.70 0.01 . 1 . . . . 122 ALA H . 6995 1 1033 . 1 1 122 122 ALA HA H 1 3.37 0.01 . 1 . . . . 122 ALA HA . 6995 1 1034 . 1 1 122 122 ALA HB1 H 1 1.57 0.01 . 1 . . . . 122 ALA HB . 6995 1 1035 . 1 1 122 122 ALA HB2 H 1 1.57 0.01 . 1 . . . . 122 ALA HB . 6995 1 1036 . 1 1 122 122 ALA HB3 H 1 1.57 0.01 . 1 . . . . 122 ALA HB . 6995 1 1037 . 1 1 122 122 ALA C C 13 177.37 0.1 . 1 . . . . 122 ALA C . 6995 1 1038 . 1 1 122 122 ALA CA C 13 53.95 0.1 . 1 . . . . 122 ALA CA . 6995 1 1039 . 1 1 122 122 ALA CB C 13 19.48 0.1 . 1 . . . . 122 ALA CB . 6995 1 1040 . 1 1 122 122 ALA N N 15 123.39 0.1 . 1 . . . . 122 ALA N . 6995 1 1041 . 1 1 123 123 ASN H H 1 7.96 0.01 . 1 . . . . 123 ASN H . 6995 1 1042 . 1 1 123 123 ASN HA H 1 5.25 0.01 . 1 . . . . 123 ASN HA . 6995 1 1043 . 1 1 123 123 ASN HB2 H 1 3.40 0.01 . 2 . . . . 123 ASN HB2 . 6995 1 1044 . 1 1 123 123 ASN HB3 H 1 2.69 0.01 . 2 . . . . 123 ASN HB3 . 6995 1 1045 . 1 1 123 123 ASN HD21 H 1 7.73 0.01 . 2 . . . . 123 ASN HD21 . 6995 1 1046 . 1 1 123 123 ASN HD22 H 1 6.94 0.01 . 2 . . . . 123 ASN HD22 . 6995 1 1047 . 1 1 123 123 ASN CA C 13 49.91 0.1 . 1 . . . . 123 ASN CA . 6995 1 1048 . 1 1 123 123 ASN CB C 13 37.85 0.1 . 1 . . . . 123 ASN CB . 6995 1 1049 . 1 1 123 123 ASN N N 15 119.46 0.1 . 1 . . . . 123 ASN N . 6995 1 1050 . 1 1 123 123 ASN ND2 N 15 112.58 0.1 . 1 . . . . 123 ASN ND2 . 6995 1 1051 . 1 1 124 124 PRO HA H 1 4.22 0.01 . 1 . . . . 124 PRO HA . 6995 1 1052 . 1 1 124 124 PRO HB2 H 1 2.28 0.01 . 2 . . . . 124 PRO HB2 . 6995 1 1053 . 1 1 124 124 PRO HB3 H 1 2.21 0.01 . 2 . . . . 124 PRO HB3 . 6995 1 1054 . 1 1 124 124 PRO HG2 H 1 2.04 0.01 . 2 . . . . 124 PRO HG2 . 6995 1 1055 . 1 1 124 124 PRO HD2 H 1 3.22 0.01 . 2 . . . . 124 PRO HD2 . 6995 1 1056 . 1 1 124 124 PRO HD3 H 1 4.23 0.01 . 2 . . . . 124 PRO HD3 . 6995 1 1057 . 1 1 124 124 PRO C C 13 177.01 0.1 . 1 . . . . 124 PRO C . 6995 1 1058 . 1 1 124 124 PRO CA C 13 64.97 0.1 . 1 . . . . 124 PRO CA . 6995 1 1059 . 1 1 124 124 PRO CB C 13 31.94 0.1 . 1 . . . . 124 PRO CB . 6995 1 1060 . 1 1 124 124 PRO CG C 13 27.43 0.1 . 1 . . . . 124 PRO CG . 6995 1 1061 . 1 1 124 124 PRO CD C 13 50.27 0.1 . 1 . . . . 124 PRO CD . 6995 1 1062 . 1 1 125 125 ASP H H 1 8.33 0.01 . 1 . . . . 125 ASP H . 6995 1 1063 . 1 1 125 125 ASP HA H 1 4.53 0.01 . 1 . . . . 125 ASP HA . 6995 1 1064 . 1 1 125 125 ASP HB2 H 1 2.83 0.01 . 2 . . . . 125 ASP HB2 . 6995 1 1065 . 1 1 125 125 ASP C C 13 178.22 0.1 . 1 . . . . 125 ASP C . 6995 1 1066 . 1 1 125 125 ASP CA C 13 58.25 0.1 . 1 . . . . 125 ASP CA . 6995 1 1067 . 1 1 125 125 ASP CB C 13 40.43 0.1 . 1 . . . . 125 ASP CB . 6995 1 1068 . 1 1 125 125 ASP N N 15 119.50 0.1 . 1 . . . . 125 ASP N . 6995 1 1069 . 1 1 126 126 ARG H H 1 7.29 0.01 . 1 . . . . 126 ARG H . 6995 1 1070 . 1 1 126 126 ARG HA H 1 4.18 0.01 . 1 . . . . 126 ARG HA . 6995 1 1071 . 1 1 126 126 ARG HB2 H 1 1.97 0.01 . 2 . . . . 126 ARG HB2 . 6995 1 1072 . 1 1 126 126 ARG HB3 H 1 1.90 0.01 . 2 . . . . 126 ARG HB3 . 6995 1 1073 . 1 1 126 126 ARG HG2 H 1 1.56 0.01 . 2 . . . . 126 ARG HG2 . 6995 1 1074 . 1 1 126 126 ARG HD2 H 1 3.22 0.01 . 2 . . . . 126 ARG HD2 . 6995 1 1075 . 1 1 126 126 ARG HD3 H 1 3.35 0.01 . 2 . . . . 126 ARG HD3 . 6995 1 1076 . 1 1 126 126 ARG C C 13 178.37 0.1 . 1 . . . . 126 ARG C . 6995 1 1077 . 1 1 126 126 ARG CA C 13 58.92 0.1 . 1 . . . . 126 ARG CA . 6995 1 1078 . 1 1 126 126 ARG CB C 13 30.07 0.1 . 1 . . . . 126 ARG CB . 6995 1 1079 . 1 1 126 126 ARG CG C 13 27.13 0.1 . 1 . . . . 126 ARG CG . 6995 1 1080 . 1 1 126 126 ARG CD C 13 43.51 0.1 . 1 . . . . 126 ARG CD . 6995 1 1081 . 1 1 126 126 ARG N N 15 120.75 0.1 . 1 . . . . 126 ARG N . 6995 1 1082 . 1 1 127 127 VAL H H 1 7.37 0.01 . 1 . . . . 127 VAL H . 6995 1 1083 . 1 1 127 127 VAL HA H 1 3.86 0.01 . 1 . . . . 127 VAL HA . 6995 1 1084 . 1 1 127 127 VAL HB H 1 2.29 0.01 . 1 . . . . 127 VAL HB . 6995 1 1085 . 1 1 127 127 VAL HG11 H 1 1.15 0.01 . 2 . . . . 127 VAL HG1 . 6995 1 1086 . 1 1 127 127 VAL HG12 H 1 1.15 0.01 . 2 . . . . 127 VAL HG1 . 6995 1 1087 . 1 1 127 127 VAL HG13 H 1 1.15 0.01 . 2 . . . . 127 VAL HG1 . 6995 1 1088 . 1 1 127 127 VAL HG21 H 1 1.01 0.01 . 2 . . . . 127 VAL HG2 . 6995 1 1089 . 1 1 127 127 VAL HG22 H 1 1.01 0.01 . 2 . . . . 127 VAL HG2 . 6995 1 1090 . 1 1 127 127 VAL HG23 H 1 1.01 0.01 . 2 . . . . 127 VAL HG2 . 6995 1 1091 . 1 1 127 127 VAL C C 13 177.71 0.1 . 1 . . . . 127 VAL C . 6995 1 1092 . 1 1 127 127 VAL CA C 13 66.44 0.1 . 1 . . . . 127 VAL CA . 6995 1 1093 . 1 1 127 127 VAL CB C 13 31.63 0.1 . 1 . . . . 127 VAL CB . 6995 1 1094 . 1 1 127 127 VAL CG1 C 13 23.56 0.1 . 2 . . . . 127 VAL CG1 . 6995 1 1095 . 1 1 127 127 VAL CG2 C 13 22.47 0.1 . 2 . . . . 127 VAL CG2 . 6995 1 1096 . 1 1 127 127 VAL N N 15 119.08 0.1 . 1 . . . . 127 VAL N . 6995 1 1097 . 1 1 128 128 MET H H 1 8.40 0.01 . 1 . . . . 128 MET H . 6995 1 1098 . 1 1 128 128 MET HA H 1 3.88 0.01 . 1 . . . . 128 MET HA . 6995 1 1099 . 1 1 128 128 MET HB2 H 1 2.68 0.01 . 2 . . . . 128 MET HB2 . 6995 1 1100 . 1 1 128 128 MET HB3 H 1 1.88 0.01 . 2 . . . . 128 MET HB3 . 6995 1 1101 . 1 1 128 128 MET HG2 H 1 2.09 0.01 . 2 . . . . 128 MET HG2 . 6995 1 1102 . 1 1 128 128 MET HG3 H 1 1.40 0.01 . 2 . . . . 128 MET HG3 . 6995 1 1103 . 1 1 128 128 MET HE1 H 1 1.33 0.01 . 1 . . . . 128 MET HE . 6995 1 1104 . 1 1 128 128 MET HE2 H 1 1.33 0.01 . 1 . . . . 128 MET HE . 6995 1 1105 . 1 1 128 128 MET HE3 H 1 1.33 0.01 . 1 . . . . 128 MET HE . 6995 1 1106 . 1 1 128 128 MET C C 13 177.53 0.1 . 1 . . . . 128 MET C . 6995 1 1107 . 1 1 128 128 MET CA C 13 60.90 0.1 . 1 . . . . 128 MET CA . 6995 1 1108 . 1 1 128 128 MET CB C 13 33.37 0.1 . 1 . . . . 128 MET CB . 6995 1 1109 . 1 1 128 128 MET CG C 13 33.32 0.1 . 1 . . . . 128 MET CG . 6995 1 1110 . 1 1 128 128 MET CE C 13 16.35 0.1 . 1 . . . . 128 MET CE . 6995 1 1111 . 1 1 128 128 MET N N 15 119.51 0.1 . 1 . . . . 128 MET N . 6995 1 1112 . 1 1 129 129 GLN H H 1 8.18 0.01 . 1 . . . . 129 GLN H . 6995 1 1113 . 1 1 129 129 GLN HA H 1 4.29 0.01 . 1 . . . . 129 GLN HA . 6995 1 1114 . 1 1 129 129 GLN HB2 H 1 2.49 0.01 . 2 . . . . 129 GLN HB2 . 6995 1 1115 . 1 1 129 129 GLN HB3 H 1 2.35 0.01 . 2 . . . . 129 GLN HB3 . 6995 1 1116 . 1 1 129 129 GLN HG2 H 1 2.76 0.01 . 2 . . . . 129 GLN HG2 . 6995 1 1117 . 1 1 129 129 GLN HG3 H 1 2.55 0.01 . 2 . . . . 129 GLN HG3 . 6995 1 1118 . 1 1 129 129 GLN C C 13 179.41 0.1 . 1 . . . . 129 GLN C . 6995 1 1119 . 1 1 129 129 GLN CA C 13 59.67 0.1 . 1 . . . . 129 GLN CA . 6995 1 1120 . 1 1 129 129 GLN CB C 13 28.30 0.1 . 1 . . . . 129 GLN CB . 6995 1 1121 . 1 1 129 129 GLN CG C 13 34.18 0.1 . 1 . . . . 129 GLN CG . 6995 1 1122 . 1 1 129 129 GLN N N 15 118.50 0.1 . 1 . . . . 129 GLN N . 6995 1 1123 . 1 1 130 130 GLU H H 1 8.36 0.01 . 1 . . . . 130 GLU H . 6995 1 1124 . 1 1 130 130 GLU HA H 1 4.24 0.01 . 1 . . . . 130 GLU HA . 6995 1 1125 . 1 1 130 130 GLU HB2 H 1 2.16 0.01 . 2 . . . . 130 GLU HB2 . 6995 1 1126 . 1 1 130 130 GLU HG2 H 1 2.84 0.01 . 2 . . . . 130 GLU HG2 . 6995 1 1127 . 1 1 130 130 GLU HG3 H 1 2.43 0.01 . 2 . . . . 130 GLU HG3 . 6995 1 1128 . 1 1 130 130 GLU C C 13 180.43 0.1 . 1 . . . . 130 GLU C . 6995 1 1129 . 1 1 130 130 GLU CA C 13 59.66 0.1 . 1 . . . . 130 GLU CA . 6995 1 1130 . 1 1 130 130 GLU CB C 13 30.11 0.1 . 1 . . . . 130 GLU CB . 6995 1 1131 . 1 1 130 130 GLU CG C 13 36.64 0.1 . 1 . . . . 130 GLU CG . 6995 1 1132 . 1 1 130 130 GLU N N 15 120.61 0.1 . 1 . . . . 130 GLU N . 6995 1 1133 . 1 1 131 131 LEU H H 1 8.38 0.01 . 1 . . . . 131 LEU H . 6995 1 1134 . 1 1 131 131 LEU HA H 1 4.45 0.01 . 1 . . . . 131 LEU HA . 6995 1 1135 . 1 1 131 131 LEU HB2 H 1 2.35 0.01 . 2 . . . . 131 LEU HB2 . 6995 1 1136 . 1 1 131 131 LEU HB3 H 1 1.95 0.01 . 2 . . . . 131 LEU HB3 . 6995 1 1137 . 1 1 131 131 LEU HG H 1 1.91 0.01 . 1 . . . . 131 LEU HG . 6995 1 1138 . 1 1 131 131 LEU HD11 H 1 0.99 0.01 . 2 . . . . 131 LEU HD1 . 6995 1 1139 . 1 1 131 131 LEU HD12 H 1 0.99 0.01 . 2 . . . . 131 LEU HD1 . 6995 1 1140 . 1 1 131 131 LEU HD13 H 1 0.99 0.01 . 2 . . . . 131 LEU HD1 . 6995 1 1141 . 1 1 131 131 LEU HD21 H 1 0.89 0.01 . 2 . . . . 131 LEU HD2 . 6995 1 1142 . 1 1 131 131 LEU HD22 H 1 0.89 0.01 . 2 . . . . 131 LEU HD2 . 6995 1 1143 . 1 1 131 131 LEU HD23 H 1 0.89 0.01 . 2 . . . . 131 LEU HD2 . 6995 1 1144 . 1 1 131 131 LEU C C 13 179.52 0.1 . 1 . . . . 131 LEU C . 6995 1 1145 . 1 1 131 131 LEU CA C 13 57.92 0.1 . 1 . . . . 131 LEU CA . 6995 1 1146 . 1 1 131 131 LEU CB C 13 41.20 0.1 . 1 . . . . 131 LEU CB . 6995 1 1147 . 1 1 131 131 LEU CG C 13 27.46 0.1 . 1 . . . . 131 LEU CG . 6995 1 1148 . 1 1 131 131 LEU CD1 C 13 28.74 0.1 . 2 . . . . 131 LEU CD1 . 6995 1 1149 . 1 1 131 131 LEU CD2 C 13 24.81 0.1 . 2 . . . . 131 LEU CD2 . 6995 1 1150 . 1 1 131 131 LEU N N 15 119.70 0.1 . 1 . . . . 131 LEU N . 6995 1 1151 . 1 1 132 132 MET H H 1 8.15 0.01 . 1 . . . . 132 MET H . 6995 1 1152 . 1 1 132 132 MET HA H 1 4.09 0.01 . 1 . . . . 132 MET HA . 6995 1 1153 . 1 1 132 132 MET HB2 H 1 3.17 0.01 . 2 . . . . 132 MET HB2 . 6995 1 1154 . 1 1 132 132 MET HB3 H 1 2.83 0.01 . 2 . . . . 132 MET HB3 . 6995 1 1155 . 1 1 132 132 MET HG2 H 1 2.47 0.01 . 2 . . . . 132 MET HG2 . 6995 1 1156 . 1 1 132 132 MET HE1 H 1 2.24 0.01 . 1 . . . . 132 MET HE . 6995 1 1157 . 1 1 132 132 MET HE2 H 1 2.24 0.01 . 1 . . . . 132 MET HE . 6995 1 1158 . 1 1 132 132 MET HE3 H 1 2.24 0.01 . 1 . . . . 132 MET HE . 6995 1 1159 . 1 1 132 132 MET C C 13 179.78 0.1 . 1 . . . . 132 MET C . 6995 1 1160 . 1 1 132 132 MET CA C 13 59.76 0.1 . 1 . . . . 132 MET CA . 6995 1 1161 . 1 1 132 132 MET CB C 13 32.33 0.1 . 1 . . . . 132 MET CB . 6995 1 1162 . 1 1 132 132 MET CG C 13 32.82 0.1 . 1 . . . . 132 MET CG . 6995 1 1163 . 1 1 132 132 MET CE C 13 16.63 0.1 . 1 . . . . 132 MET CE . 6995 1 1164 . 1 1 132 132 MET N N 15 122.34 0.1 . 1 . . . . 132 MET N . 6995 1 1165 . 1 1 133 133 GLU H H 1 7.54 0.01 . 1 . . . . 133 GLU H . 6995 1 1166 . 1 1 133 133 GLU HA H 1 4.09 0.01 . 1 . . . . 133 GLU HA . 6995 1 1167 . 1 1 133 133 GLU HB2 H 1 2.01 0.01 . 2 . . . . 133 GLU HB2 . 6995 1 1168 . 1 1 133 133 GLU HB3 H 1 1.84 0.01 . 2 . . . . 133 GLU HB3 . 6995 1 1169 . 1 1 133 133 GLU HG2 H 1 2.33 0.01 . 2 . . . . 133 GLU HG2 . 6995 1 1170 . 1 1 133 133 GLU HG3 H 1 2.17 0.01 . 2 . . . . 133 GLU HG3 . 6995 1 1171 . 1 1 133 133 GLU C C 13 176.69 0.1 . 1 . . . . 133 GLU C . 6995 1 1172 . 1 1 133 133 GLU CA C 13 58.16 0.1 . 1 . . . . 133 GLU CA . 6995 1 1173 . 1 1 133 133 GLU CB C 13 28.98 0.1 . 1 . . . . 133 GLU CB . 6995 1 1174 . 1 1 133 133 GLU CG C 13 35.99 0.1 . 1 . . . . 133 GLU CG . 6995 1 1175 . 1 1 133 133 GLU N N 15 120.01 0.1 . 1 . . . . 133 GLU N . 6995 1 1176 . 1 1 134 134 TYR H H 1 7.53 0.01 . 1 . . . . 134 TYR H . 6995 1 1177 . 1 1 134 134 TYR HA H 1 4.53 0.01 . 1 . . . . 134 TYR HA . 6995 1 1178 . 1 1 134 134 TYR HB2 H 1 3.55 0.01 . 2 . . . . 134 TYR HB2 . 6995 1 1179 . 1 1 134 134 TYR HB3 H 1 2.70 0.01 . 2 . . . . 134 TYR HB3 . 6995 1 1180 . 1 1 134 134 TYR HD1 H 1 7.27 0.01 . 3 . . . . 134 TYR HD1 . 6995 1 1181 . 1 1 134 134 TYR HE1 H 1 6.82 0.01 . 3 . . . . 134 TYR HE1 . 6995 1 1182 . 1 1 134 134 TYR C C 13 174.62 0.1 . 1 . . . . 134 TYR C . 6995 1 1183 . 1 1 134 134 TYR CA C 13 57.98 0.1 . 1 . . . . 134 TYR CA . 6995 1 1184 . 1 1 134 134 TYR CB C 13 38.08 0.1 . 1 . . . . 134 TYR CB . 6995 1 1185 . 1 1 134 134 TYR CD1 C 13 132.99 0.1 . 3 . . . . 134 TYR CD1 . 6995 1 1186 . 1 1 134 134 TYR CE1 C 13 118.41 0.1 . 3 . . . . 134 TYR CE1 . 6995 1 1187 . 1 1 134 134 TYR N N 15 118.37 0.1 . 1 . . . . 134 TYR N . 6995 1 1188 . 1 1 135 135 ASN H H 1 8.00 0.01 . 1 . . . . 135 ASN H . 6995 1 1189 . 1 1 135 135 ASN HA H 1 4.30 0.01 . 1 . . . . 135 ASN HA . 6995 1 1190 . 1 1 135 135 ASN HB2 H 1 3.26 0.01 . 2 . . . . 135 ASN HB2 . 6995 1 1191 . 1 1 135 135 ASN HB3 H 1 2.90 0.01 . 2 . . . . 135 ASN HB3 . 6995 1 1192 . 1 1 135 135 ASN HD21 H 1 7.53 0.01 . 2 . . . . 135 ASN HD21 . 6995 1 1193 . 1 1 135 135 ASN HD22 H 1 6.83 0.01 . 2 . . . . 135 ASN HD22 . 6995 1 1194 . 1 1 135 135 ASN C C 13 174.01 0.1 . 1 . . . . 135 ASN C . 6995 1 1195 . 1 1 135 135 ASN CA C 13 54.80 0.1 . 1 . . . . 135 ASN CA . 6995 1 1196 . 1 1 135 135 ASN CB C 13 36.94 0.1 . 1 . . . . 135 ASN CB . 6995 1 1197 . 1 1 135 135 ASN N N 15 113.94 0.1 . 1 . . . . 135 ASN N . 6995 1 1198 . 1 1 135 135 ASN ND2 N 15 112.73 0.1 . 1 . . . . 135 ASN ND2 . 6995 1 1199 . 1 1 136 136 LEU H H 1 7.36 0.01 . 1 . . . . 136 LEU H . 6995 1 1200 . 1 1 136 136 LEU HA H 1 4.81 0.01 . 1 . . . . 136 LEU HA . 6995 1 1201 . 1 1 136 136 LEU HB2 H 1 1.94 0.01 . 2 . . . . 136 LEU HB2 . 6995 1 1202 . 1 1 136 136 LEU HB3 H 1 1.32 0.01 . 2 . . . . 136 LEU HB3 . 6995 1 1203 . 1 1 136 136 LEU HG H 1 1.68 0.01 . 1 . . . . 136 LEU HG . 6995 1 1204 . 1 1 136 136 LEU HD11 H 1 0.86 0.01 . 2 . . . . 136 LEU HD1 . 6995 1 1205 . 1 1 136 136 LEU HD12 H 1 0.86 0.01 . 2 . . . . 136 LEU HD1 . 6995 1 1206 . 1 1 136 136 LEU HD13 H 1 0.86 0.01 . 2 . . . . 136 LEU HD1 . 6995 1 1207 . 1 1 136 136 LEU HD21 H 1 0.89 0.01 . 2 . . . . 136 LEU HD2 . 6995 1 1208 . 1 1 136 136 LEU HD22 H 1 0.89 0.01 . 2 . . . . 136 LEU HD2 . 6995 1 1209 . 1 1 136 136 LEU HD23 H 1 0.89 0.01 . 2 . . . . 136 LEU HD2 . 6995 1 1210 . 1 1 136 136 LEU C C 13 173.43 0.1 . 1 . . . . 136 LEU C . 6995 1 1211 . 1 1 136 136 LEU CA C 13 53.85 0.1 . 1 . . . . 136 LEU CA . 6995 1 1212 . 1 1 136 136 LEU CB C 13 41.39 0.1 . 1 . . . . 136 LEU CB . 6995 1 1213 . 1 1 136 136 LEU CG C 13 26.71 0.1 . 1 . . . . 136 LEU CG . 6995 1 1214 . 1 1 136 136 LEU CD1 C 13 26.78 0.1 . 2 . . . . 136 LEU CD1 . 6995 1 1215 . 1 1 136 136 LEU CD2 C 13 24.57 0.1 . 2 . . . . 136 LEU CD2 . 6995 1 1216 . 1 1 136 136 LEU N N 15 123.02 0.1 . 1 . . . . 136 LEU N . 6995 1 1217 . 1 1 137 137 VAL H H 1 8.01 0.01 . 1 . . . . 137 VAL H . 6995 1 1218 . 1 1 137 137 VAL HA H 1 4.50 0.01 . 1 . . . . 137 VAL HA . 6995 1 1219 . 1 1 137 137 VAL HB H 1 2.23 0.01 . 1 . . . . 137 VAL HB . 6995 1 1220 . 1 1 137 137 VAL HG11 H 1 1.10 0.01 . 2 . . . . 137 VAL HG1 . 6995 1 1221 . 1 1 137 137 VAL HG12 H 1 1.10 0.01 . 2 . . . . 137 VAL HG1 . 6995 1 1222 . 1 1 137 137 VAL HG13 H 1 1.10 0.01 . 2 . . . . 137 VAL HG1 . 6995 1 1223 . 1 1 137 137 VAL CA C 13 59.20 0.1 . 1 . . . . 137 VAL CA . 6995 1 1224 . 1 1 137 137 VAL CB C 13 33.58 0.1 . 1 . . . . 137 VAL CB . 6995 1 1225 . 1 1 137 137 VAL CG1 C 13 20.96 0.1 . 2 . . . . 137 VAL CG1 . 6995 1 1226 . 1 1 137 137 VAL N N 15 122.22 0.1 . 1 . . . . 137 VAL N . 6995 1 1227 . 1 1 138 138 PRO HA H 1 4.71 0.01 . 1 . . . . 138 PRO HA . 6995 1 1228 . 1 1 138 138 PRO HB2 H 1 1.36 0.01 . 2 . . . . 138 PRO HB2 . 6995 1 1229 . 1 1 138 138 PRO HB3 H 1 1.15 0.01 . 2 . . . . 138 PRO HB3 . 6995 1 1230 . 1 1 138 138 PRO HG2 H 1 0.01 0.01 . 2 . . . . 138 PRO HG2 . 6995 1 1231 . 1 1 138 138 PRO HG3 H 1 0.54 0.01 . 2 . . . . 138 PRO HG3 . 6995 1 1232 . 1 1 138 138 PRO HD2 H 1 3.71 0.01 . 2 . . . . 138 PRO HD2 . 6995 1 1233 . 1 1 138 138 PRO HD3 H 1 3.46 0.01 . 2 . . . . 138 PRO HD3 . 6995 1 1234 . 1 1 138 138 PRO C C 13 179.90 0.1 . 1 . . . . 138 PRO C . 6995 1 1235 . 1 1 138 138 PRO CA C 13 62.55 0.1 . 1 . . . . 138 PRO CA . 6995 1 1236 . 1 1 138 138 PRO CB C 13 31.93 0.1 . 1 . . . . 138 PRO CB . 6995 1 1237 . 1 1 138 138 PRO CG C 13 25.98 0.1 . 1 . . . . 138 PRO CG . 6995 1 1238 . 1 1 138 138 PRO CD C 13 51.01 0.1 . 1 . . . . 138 PRO CD . 6995 1 1239 . 1 1 139 139 GLU H H 1 8.69 0.01 . 1 . . . . 139 GLU H . 6995 1 1240 . 1 1 139 139 GLU HA H 1 4.14 0.01 . 1 . . . . 139 GLU HA . 6995 1 1241 . 1 1 139 139 GLU HB2 H 1 2.00 0.01 . 2 . . . . 139 GLU HB2 . 6995 1 1242 . 1 1 139 139 GLU HG2 H 1 2.19 0.01 . 2 . . . . 139 GLU HG2 . 6995 1 1243 . 1 1 139 139 GLU HG3 H 1 2.31 0.01 . 2 . . . . 139 GLU HG3 . 6995 1 1244 . 1 1 139 139 GLU C C 13 180.14 0.1 . 1 . . . . 139 GLU C . 6995 1 1245 . 1 1 139 139 GLU CA C 13 59.16 0.1 . 1 . . . . 139 GLU CA . 6995 1 1246 . 1 1 139 139 GLU CB C 13 29.98 0.1 . 1 . . . . 139 GLU CB . 6995 1 1247 . 1 1 139 139 GLU CG C 13 36.22 0.1 . 1 . . . . 139 GLU CG . 6995 1 1248 . 1 1 139 139 GLU N N 15 129.03 0.1 . 1 . . . . 139 GLU N . 6995 1 1249 . 1 1 140 140 GLU H H 1 9.99 0.01 . 1 . . . . 140 GLU H . 6995 1 1250 . 1 1 140 140 GLU HA H 1 4.28 0.01 . 1 . . . . 140 GLU HA . 6995 1 1251 . 1 1 140 140 GLU HB2 H 1 2.10 0.01 . 2 . . . . 140 GLU HB2 . 6995 1 1252 . 1 1 140 140 GLU HG2 H 1 2.16 0.01 . 2 . . . . 140 GLU HG2 . 6995 1 1253 . 1 1 140 140 GLU HG3 H 1 1.94 0.01 . 2 . . . . 140 GLU HG3 . 6995 1 1254 . 1 1 140 140 GLU C C 13 176.87 0.1 . 1 . . . . 140 GLU C . 6995 1 1255 . 1 1 140 140 GLU CA C 13 58.70 0.1 . 1 . . . . 140 GLU CA . 6995 1 1256 . 1 1 140 140 GLU CB C 13 28.99 0.1 . 1 . . . . 140 GLU CB . 6995 1 1257 . 1 1 140 140 GLU CG C 13 36.22 0.1 . 1 . . . . 140 GLU CG . 6995 1 1258 . 1 1 140 140 GLU N N 15 119.87 0.1 . 1 . . . . 140 GLU N . 6995 1 1259 . 1 1 141 141 TRP H H 1 7.63 0.01 . 1 . . . . 141 TRP H . 6995 1 1260 . 1 1 141 141 TRP HA H 1 5.24 0.01 . 1 . . . . 141 TRP HA . 6995 1 1261 . 1 1 141 141 TRP HB2 H 1 3.66 0.01 . 2 . . . . 141 TRP HB2 . 6995 1 1262 . 1 1 141 141 TRP HB3 H 1 2.96 0.01 . 2 . . . . 141 TRP HB3 . 6995 1 1263 . 1 1 141 141 TRP HD1 H 1 6.92 0.01 . 1 . . . . 141 TRP HD1 . 6995 1 1264 . 1 1 141 141 TRP HE1 H 1 10.09 0.01 . 1 . . . . 141 TRP HE1 . 6995 1 1265 . 1 1 141 141 TRP HE3 H 1 7.67 0.01 . 1 . . . . 141 TRP HE3 . 6995 1 1266 . 1 1 141 141 TRP HZ2 H 1 7.52 0.01 . 1 . . . . 141 TRP HZ2 . 6995 1 1267 . 1 1 141 141 TRP HZ3 H 1 6.92 0.01 . 1 . . . . 141 TRP HZ3 . 6995 1 1268 . 1 1 141 141 TRP HH2 H 1 7.28 0.01 . 1 . . . . 141 TRP HH2 . 6995 1 1269 . 1 1 141 141 TRP C C 13 175.75 0.1 . 1 . . . . 141 TRP C . 6995 1 1270 . 1 1 141 141 TRP CA C 13 53.81 0.1 . 1 . . . . 141 TRP CA . 6995 1 1271 . 1 1 141 141 TRP CB C 13 29.32 0.1 . 1 . . . . 141 TRP CB . 6995 1 1272 . 1 1 141 141 TRP CD1 C 13 123.71 0.1 . 1 . . . . 141 TRP CD1 . 6995 1 1273 . 1 1 141 141 TRP CE3 C 13 120.45 0.1 . 1 . . . . 141 TRP CE3 . 6995 1 1274 . 1 1 141 141 TRP CZ2 C 13 114.75 0.1 . 1 . . . . 141 TRP CZ2 . 6995 1 1275 . 1 1 141 141 TRP CZ3 C 13 121.45 0.1 . 1 . . . . 141 TRP CZ3 . 6995 1 1276 . 1 1 141 141 TRP CH2 C 13 125.04 0.1 . 1 . . . . 141 TRP CH2 . 6995 1 1277 . 1 1 141 141 TRP N N 15 120.58 0.1 . 1 . . . . 141 TRP N . 6995 1 1278 . 1 1 141 141 TRP NE1 N 15 128.97 0.1 . 1 . . . . 141 TRP NE1 . 6995 1 1279 . 1 1 142 142 GLY H H 1 8.02 0.01 . 1 . . . . 142 GLY H . 6995 1 1280 . 1 1 142 142 GLY HA2 H 1 3.93 0.01 . 2 . . . . 142 GLY HA2 . 6995 1 1281 . 1 1 142 142 GLY HA3 H 1 4.42 0.01 . 2 . . . . 142 GLY HA3 . 6995 1 1282 . 1 1 142 142 GLY C C 13 174.94 0.1 . 1 . . . . 142 GLY C . 6995 1 1283 . 1 1 142 142 GLY CA C 13 45.35 0.1 . 1 . . . . 142 GLY CA . 6995 1 1284 . 1 1 142 142 GLY N N 15 108.54 0.1 . 1 . . . . 142 GLY N . 6995 1 1285 . 1 1 143 143 GLY H H 1 7.98 0.01 . 1 . . . . 143 GLY H . 6995 1 1286 . 1 1 143 143 GLY HA2 H 1 3.63 0.01 . 2 . . . . 143 GLY HA2 . 6995 1 1287 . 1 1 143 143 GLY HA3 H 1 4.49 0.01 . 2 . . . . 143 GLY HA3 . 6995 1 1288 . 1 1 143 143 GLY C C 13 172.90 0.1 . 1 . . . . 143 GLY C . 6995 1 1289 . 1 1 143 143 GLY CA C 13 43.77 0.1 . 1 . . . . 143 GLY CA . 6995 1 1290 . 1 1 143 143 GLY N N 15 109.89 0.1 . 1 . . . . 143 GLY N . 6995 1 1291 . 1 1 144 144 ASP H H 1 7.84 0.01 . 1 . . . . 144 ASP H . 6995 1 1292 . 1 1 144 144 ASP HA H 1 4.99 0.01 . 1 . . . . 144 ASP HA . 6995 1 1293 . 1 1 144 144 ASP HB2 H 1 2.98 0.01 . 2 . . . . 144 ASP HB2 . 6995 1 1294 . 1 1 144 144 ASP HB3 H 1 2.75 0.01 . 2 . . . . 144 ASP HB3 . 6995 1 1295 . 1 1 144 144 ASP C C 13 176.63 0.1 . 1 . . . . 144 ASP C . 6995 1 1296 . 1 1 144 144 ASP CA C 13 53.06 0.1 . 1 . . . . 144 ASP CA . 6995 1 1297 . 1 1 144 144 ASP CB C 13 42.20 0.1 . 1 . . . . 144 ASP CB . 6995 1 1298 . 1 1 144 144 ASP N N 15 117.20 0.1 . 1 . . . . 144 ASP N . 6995 1 1299 . 1 1 145 145 THR H H 1 8.32 0.01 . 1 . . . . 145 THR H . 6995 1 1300 . 1 1 145 145 THR HA H 1 4.72 0.01 . 1 . . . . 145 THR HA . 6995 1 1301 . 1 1 145 145 THR HB H 1 3.91 0.01 . 1 . . . . 145 THR HB . 6995 1 1302 . 1 1 145 145 THR HG21 H 1 1.12 0.01 . 1 . . . . 145 THR HG2 . 6995 1 1303 . 1 1 145 145 THR HG22 H 1 1.12 0.01 . 1 . . . . 145 THR HG2 . 6995 1 1304 . 1 1 145 145 THR HG23 H 1 1.12 0.01 . 1 . . . . 145 THR HG2 . 6995 1 1305 . 1 1 145 145 THR C C 13 173.38 0.1 . 1 . . . . 145 THR C . 6995 1 1306 . 1 1 145 145 THR CA C 13 63.24 0.1 . 1 . . . . 145 THR CA . 6995 1 1307 . 1 1 145 145 THR CB C 13 70.52 0.1 . 1 . . . . 145 THR CB . 6995 1 1308 . 1 1 145 145 THR CG2 C 13 22.33 0.1 . 1 . . . . 145 THR CG2 . 6995 1 1309 . 1 1 145 145 THR N N 15 119.40 0.1 . 1 . . . . 145 THR N . 6995 1 1310 . 1 1 146 146 ILE H H 1 9.67 0.01 . 1 . . . . 146 ILE H . 6995 1 1311 . 1 1 146 146 ILE HA H 1 4.14 0.01 . 1 . . . . 146 ILE HA . 6995 1 1312 . 1 1 146 146 ILE HB H 1 1.91 0.01 . 1 . . . . 146 ILE HB . 6995 1 1313 . 1 1 146 146 ILE HG12 H 1 1.64 0.01 . 2 . . . . 146 ILE HG12 . 6995 1 1314 . 1 1 146 146 ILE HG21 H 1 0.84 0.01 . 1 . . . . 146 ILE HG2 . 6995 1 1315 . 1 1 146 146 ILE HG22 H 1 0.84 0.01 . 1 . . . . 146 ILE HG2 . 6995 1 1316 . 1 1 146 146 ILE HG23 H 1 0.84 0.01 . 1 . . . . 146 ILE HG2 . 6995 1 1317 . 1 1 146 146 ILE HD11 H 1 0.87 0.01 . 1 . . . . 146 ILE HD1 . 6995 1 1318 . 1 1 146 146 ILE HD12 H 1 0.87 0.01 . 1 . . . . 146 ILE HD1 . 6995 1 1319 . 1 1 146 146 ILE HD13 H 1 0.87 0.01 . 1 . . . . 146 ILE HD1 . 6995 1 1320 . 1 1 146 146 ILE C C 13 174.42 0.1 . 1 . . . . 146 ILE C . 6995 1 1321 . 1 1 146 146 ILE CA C 13 62.15 0.1 . 1 . . . . 146 ILE CA . 6995 1 1322 . 1 1 146 146 ILE CB C 13 38.10 0.1 . 1 . . . . 146 ILE CB . 6995 1 1323 . 1 1 146 146 ILE CG1 C 13 27.92 0.1 . 1 . . . . 146 ILE CG1 . 6995 1 1324 . 1 1 146 146 ILE CG2 C 13 18.36 0.1 . 1 . . . . 146 ILE CG2 . 6995 1 1325 . 1 1 146 146 ILE CD1 C 13 13.44 0.1 . 1 . . . . 146 ILE CD1 . 6995 1 1326 . 1 1 146 146 ILE N N 15 132.48 0.1 . 1 . . . . 146 ILE N . 6995 1 1327 . 1 1 147 147 PHE H H 1 9.04 0.01 . 1 . . . . 147 PHE H . 6995 1 1328 . 1 1 147 147 PHE HA H 1 5.40 0.01 . 1 . . . . 147 PHE HA . 6995 1 1329 . 1 1 147 147 PHE HB2 H 1 3.30 0.01 . 2 . . . . 147 PHE HB2 . 6995 1 1330 . 1 1 147 147 PHE HB3 H 1 2.43 0.01 . 2 . . . . 147 PHE HB3 . 6995 1 1331 . 1 1 147 147 PHE HD1 H 1 7.23 0.01 . 3 . . . . 147 PHE HD1 . 6995 1 1332 . 1 1 147 147 PHE HE1 H 1 6.90 0.01 . 3 . . . . 147 PHE HE1 . 6995 1 1333 . 1 1 147 147 PHE HZ H 1 7.32 0.01 . 1 . . . . 147 PHE HZ . 6995 1 1334 . 1 1 147 147 PHE C C 13 176.38 0.1 . 1 . . . . 147 PHE C . 6995 1 1335 . 1 1 147 147 PHE CA C 13 55.53 0.1 . 1 . . . . 147 PHE CA . 6995 1 1336 . 1 1 147 147 PHE CB C 13 41.97 0.1 . 1 . . . . 147 PHE CB . 6995 1 1337 . 1 1 147 147 PHE CD1 C 13 131.24 0.1 . 3 . . . . 147 PHE CD1 . 6995 1 1338 . 1 1 147 147 PHE CE1 C 13 131.05 0.1 . 3 . . . . 147 PHE CE1 . 6995 1 1339 . 1 1 147 147 PHE CZ C 13 129.84 0.1 . 1 . . . . 147 PHE CZ . 6995 1 1340 . 1 1 147 147 PHE N N 15 129.28 0.1 . 1 . . . . 147 PHE N . 6995 1 1341 . 1 1 148 148 CYS H H 1 9.49 0.01 . 1 . . . . 148 CYS H . 6995 1 1342 . 1 1 148 148 CYS HA H 1 4.93 0.01 . 1 . . . . 148 CYS HA . 6995 1 1343 . 1 1 148 148 CYS HB2 H 1 3.50 0.01 . 2 . . . . 148 CYS HB2 . 6995 1 1344 . 1 1 148 148 CYS HB3 H 1 2.62 0.01 . 2 . . . . 148 CYS HB3 . 6995 1 1345 . 1 1 148 148 CYS C C 13 173.18 0.1 . 1 . . . . 148 CYS C . 6995 1 1346 . 1 1 148 148 CYS CA C 13 57.77 0.1 . 1 . . . . 148 CYS CA . 6995 1 1347 . 1 1 148 148 CYS CB C 13 30.15 0.1 . 1 . . . . 148 CYS CB . 6995 1 1348 . 1 1 148 148 CYS N N 15 122.26 0.1 . 1 . . . . 148 CYS N . 6995 1 1349 . 1 1 149 149 LYS H H 1 9.18 0.01 . 1 . . . . 149 LYS H . 6995 1 1350 . 1 1 149 149 LYS HA H 1 5.00 0.01 . 1 . . . . 149 LYS HA . 6995 1 1351 . 1 1 149 149 LYS HB2 H 1 1.91 0.01 . 2 . . . . 149 LYS HB2 . 6995 1 1352 . 1 1 149 149 LYS HG2 H 1 1.51 0.01 . 2 . . . . 149 LYS HG2 . 6995 1 1353 . 1 1 149 149 LYS HD2 H 1 1.78 0.01 . 2 . . . . 149 LYS HD2 . 6995 1 1354 . 1 1 149 149 LYS HE2 H 1 3.02 0.01 . 2 . . . . 149 LYS HE2 . 6995 1 1355 . 1 1 149 149 LYS C C 13 175.88 0.1 . 1 . . . . 149 LYS C . 6995 1 1356 . 1 1 149 149 LYS CA C 13 56.10 0.1 . 1 . . . . 149 LYS CA . 6995 1 1357 . 1 1 149 149 LYS CB C 13 32.95 0.1 . 1 . . . . 149 LYS CB . 6995 1 1358 . 1 1 149 149 LYS CG C 13 25.81 0.1 . 1 . . . . 149 LYS CG . 6995 1 1359 . 1 1 149 149 LYS CD C 13 29.75 0.1 . 1 . . . . 149 LYS CD . 6995 1 1360 . 1 1 149 149 LYS CE C 13 41.45 0.1 . 1 . . . . 149 LYS CE . 6995 1 1361 . 1 1 149 149 LYS N N 15 126.44 0.1 . 1 . . . . 149 LYS N . 6995 1 1362 . 1 1 150 150 LEU H H 1 9.47 0.01 . 1 . . . . 150 LEU H . 6995 1 1363 . 1 1 150 150 LEU HA H 1 4.99 0.01 . 1 . . . . 150 LEU HA . 6995 1 1364 . 1 1 150 150 LEU HB2 H 1 1.80 0.01 . 2 . . . . 150 LEU HB2 . 6995 1 1365 . 1 1 150 150 LEU HG H 1 1.68 0.01 . 1 . . . . 150 LEU HG . 6995 1 1366 . 1 1 150 150 LEU HD11 H 1 0.76 0.01 . 2 . . . . 150 LEU HD1 . 6995 1 1367 . 1 1 150 150 LEU HD12 H 1 0.76 0.01 . 2 . . . . 150 LEU HD1 . 6995 1 1368 . 1 1 150 150 LEU HD13 H 1 0.76 0.01 . 2 . . . . 150 LEU HD1 . 6995 1 1369 . 1 1 150 150 LEU HD21 H 1 0.75 0.01 . 2 . . . . 150 LEU HD2 . 6995 1 1370 . 1 1 150 150 LEU HD22 H 1 0.75 0.01 . 2 . . . . 150 LEU HD2 . 6995 1 1371 . 1 1 150 150 LEU HD23 H 1 0.75 0.01 . 2 . . . . 150 LEU HD2 . 6995 1 1372 . 1 1 150 150 LEU C C 13 174.74 0.1 . 1 . . . . 150 LEU C . 6995 1 1373 . 1 1 150 150 LEU CA C 13 55.13 0.1 . 1 . . . . 150 LEU CA . 6995 1 1374 . 1 1 150 150 LEU CB C 13 44.72 0.1 . 1 . . . . 150 LEU CB . 6995 1 1375 . 1 1 150 150 LEU CG C 13 26.22 0.1 . 1 . . . . 150 LEU CG . 6995 1 1376 . 1 1 150 150 LEU CD1 C 13 26.75 0.1 . 2 . . . . 150 LEU CD1 . 6995 1 1377 . 1 1 150 150 LEU CD2 C 13 26.22 0.1 . 2 . . . . 150 LEU CD2 . 6995 1 1378 . 1 1 150 150 LEU N N 15 125.85 0.1 . 1 . . . . 150 LEU N . 6995 1 1379 . 1 1 151 151 SER H H 1 8.26 0.01 . 1 . . . . 151 SER H . 6995 1 1380 . 1 1 151 151 SER HA H 1 5.15 0.01 . 1 . . . . 151 SER HA . 6995 1 1381 . 1 1 151 151 SER HB2 H 1 4.32 0.01 . 2 . . . . 151 SER HB2 . 6995 1 1382 . 1 1 151 151 SER HB3 H 1 3.86 0.01 . 2 . . . . 151 SER HB3 . 6995 1 1383 . 1 1 151 151 SER C C 13 175.25 0.1 . 1 . . . . 151 SER C . 6995 1 1384 . 1 1 151 151 SER CA C 13 56.59 0.1 . 1 . . . . 151 SER CA . 6995 1 1385 . 1 1 151 151 SER CB C 13 64.62 0.1 . 1 . . . . 151 SER CB . 6995 1 1386 . 1 1 151 151 SER N N 15 112.09 0.1 . 1 . . . . 151 SER N . 6995 1 1387 . 1 1 152 152 ALA H H 1 9.83 0.01 . 1 . . . . 152 ALA H . 6995 1 1388 . 1 1 152 152 ALA HA H 1 3.89 0.01 . 1 . . . . 152 ALA HA . 6995 1 1389 . 1 1 152 152 ALA HB1 H 1 1.56 0.01 . 1 . . . . 152 ALA HB . 6995 1 1390 . 1 1 152 152 ALA HB2 H 1 1.56 0.01 . 1 . . . . 152 ALA HB . 6995 1 1391 . 1 1 152 152 ALA HB3 H 1 1.56 0.01 . 1 . . . . 152 ALA HB . 6995 1 1392 . 1 1 152 152 ALA C C 13 176.41 0.1 . 1 . . . . 152 ALA C . 6995 1 1393 . 1 1 152 152 ALA CA C 13 54.64 0.1 . 1 . . . . 152 ALA CA . 6995 1 1394 . 1 1 152 152 ALA CB C 13 18.19 0.1 . 1 . . . . 152 ALA CB . 6995 1 1395 . 1 1 152 152 ALA N N 15 134.02 0.1 . 1 . . . . 152 ALA N . 6995 1 1396 . 1 1 153 153 LYS H H 1 7.44 0.01 . 1 . . . . 153 LYS H . 6995 1 1397 . 1 1 153 153 LYS HA H 1 3.83 0.01 . 1 . . . . 153 LYS HA . 6995 1 1398 . 1 1 153 153 LYS HB2 H 1 1.41 0.01 . 2 . . . . 153 LYS HB2 . 6995 1 1399 . 1 1 153 153 LYS HB3 H 1 1.02 0.01 . 2 . . . . 153 LYS HB3 . 6995 1 1400 . 1 1 153 153 LYS HG2 H 1 1.17 0.01 . 2 . . . . 153 LYS HG2 . 6995 1 1401 . 1 1 153 153 LYS HD2 H 1 1.54 0.01 . 2 . . . . 153 LYS HD2 . 6995 1 1402 . 1 1 153 153 LYS HE2 H 1 2.85 0.01 . 2 . . . . 153 LYS HE2 . 6995 1 1403 . 1 1 153 153 LYS HE3 H 1 2.88 0.01 . 2 . . . . 153 LYS HE3 . 6995 1 1404 . 1 1 153 153 LYS C C 13 177.38 0.1 . 1 . . . . 153 LYS C . 6995 1 1405 . 1 1 153 153 LYS CA C 13 58.05 0.1 . 1 . . . . 153 LYS CA . 6995 1 1406 . 1 1 153 153 LYS CB C 13 34.23 0.1 . 1 . . . . 153 LYS CB . 6995 1 1407 . 1 1 153 153 LYS CG C 13 24.55 0.1 . 1 . . . . 153 LYS CG . 6995 1 1408 . 1 1 153 153 LYS CD C 13 29.33 0.1 . 1 . . . . 153 LYS CD . 6995 1 1409 . 1 1 153 153 LYS CE C 13 41.83 0.1 . 1 . . . . 153 LYS CE . 6995 1 1410 . 1 1 153 153 LYS N N 15 115.62 0.1 . 1 . . . . 153 LYS N . 6995 1 1411 . 1 1 154 154 THR H H 1 8.16 0.01 . 1 . . . . 154 THR H . 6995 1 1412 . 1 1 154 154 THR HA H 1 4.30 0.01 . 1 . . . . 154 THR HA . 6995 1 1413 . 1 1 154 154 THR HB H 1 4.55 0.01 . 1 . . . . 154 THR HB . 6995 1 1414 . 1 1 154 154 THR HG21 H 1 1.23 0.01 . 1 . . . . 154 THR HG2 . 6995 1 1415 . 1 1 154 154 THR HG22 H 1 1.23 0.01 . 1 . . . . 154 THR HG2 . 6995 1 1416 . 1 1 154 154 THR HG23 H 1 1.23 0.01 . 1 . . . . 154 THR HG2 . 6995 1 1417 . 1 1 154 154 THR C C 13 176.35 0.1 . 1 . . . . 154 THR C . 6995 1 1418 . 1 1 154 154 THR CA C 13 62.10 0.1 . 1 . . . . 154 THR CA . 6995 1 1419 . 1 1 154 154 THR CB C 13 69.66 0.1 . 1 . . . . 154 THR CB . 6995 1 1420 . 1 1 154 154 THR CG2 C 13 21.15 0.1 . 1 . . . . 154 THR CG2 . 6995 1 1421 . 1 1 154 154 THR N N 15 108.37 0.1 . 1 . . . . 154 THR N . 6995 1 1422 . 1 1 155 155 LYS H H 1 8.02 0.01 . 1 . . . . 155 LYS H . 6995 1 1423 . 1 1 155 155 LYS HA H 1 3.71 0.01 . 1 . . . . 155 LYS HA . 6995 1 1424 . 1 1 155 155 LYS HB2 H 1 1.66 0.01 . 2 . . . . 155 LYS HB2 . 6995 1 1425 . 1 1 155 155 LYS HG2 H 1 1.35 0.01 . 2 . . . . 155 LYS HG2 . 6995 1 1426 . 1 1 155 155 LYS HD2 H 1 2.11 0.01 . 2 . . . . 155 LYS HD2 . 6995 1 1427 . 1 1 155 155 LYS HD3 H 1 2.43 0.01 . 2 . . . . 155 LYS HD3 . 6995 1 1428 . 1 1 155 155 LYS HE2 H 1 2.98 0.01 . 2 . . . . 155 LYS HE2 . 6995 1 1429 . 1 1 155 155 LYS C C 13 175.61 0.1 . 1 . . . . 155 LYS C . 6995 1 1430 . 1 1 155 155 LYS CA C 13 59.66 0.1 . 1 . . . . 155 LYS CA . 6995 1 1431 . 1 1 155 155 LYS CB C 13 28.92 0.1 . 1 . . . . 155 LYS CB . 6995 1 1432 . 1 1 155 155 LYS CG C 13 25.95 0.1 . 1 . . . . 155 LYS CG . 6995 1 1433 . 1 1 155 155 LYS CD C 13 29.11 0.1 . 1 . . . . 155 LYS CD . 6995 1 1434 . 1 1 155 155 LYS CE C 13 42.02 0.1 . 1 . . . . 155 LYS CE . 6995 1 1435 . 1 1 155 155 LYS N N 15 115.85 0.1 . 1 . . . . 155 LYS N . 6995 1 1436 . 1 1 156 156 GLU H H 1 8.05 0.01 . 1 . . . . 156 GLU H . 6995 1 1437 . 1 1 156 156 GLU HA H 1 4.25 0.01 . 1 . . . . 156 GLU HA . 6995 1 1438 . 1 1 156 156 GLU HB2 H 1 1.96 0.01 . 2 . . . . 156 GLU HB2 . 6995 1 1439 . 1 1 156 156 GLU HG2 H 1 2.32 0.01 . 2 . . . . 156 GLU HG2 . 6995 1 1440 . 1 1 156 156 GLU HG3 H 1 2.23 0.01 . 2 . . . . 156 GLU HG3 . 6995 1 1441 . 1 1 156 156 GLU C C 13 177.01 0.1 . 1 . . . . 156 GLU C . 6995 1 1442 . 1 1 156 156 GLU CA C 13 57.97 0.1 . 1 . . . . 156 GLU CA . 6995 1 1443 . 1 1 156 156 GLU CB C 13 29.98 0.1 . 1 . . . . 156 GLU CB . 6995 1 1444 . 1 1 156 156 GLU CG C 13 36.34 0.1 . 1 . . . . 156 GLU CG . 6995 1 1445 . 1 1 156 156 GLU N N 15 125.12 0.1 . 1 . . . . 156 GLU N . 6995 1 1446 . 1 1 157 157 GLY H H 1 8.96 0.01 . 1 . . . . 157 GLY H . 6995 1 1447 . 1 1 157 157 GLY HA2 H 1 4.08 0.01 . 2 . . . . 157 GLY HA2 . 6995 1 1448 . 1 1 157 157 GLY HA3 H 1 4.56 0.01 . 2 . . . . 157 GLY HA3 . 6995 1 1449 . 1 1 157 157 GLY C C 13 176.14 0.1 . 1 . . . . 157 GLY C . 6995 1 1450 . 1 1 157 157 GLY CA C 13 45.74 0.1 . 1 . . . . 157 GLY CA . 6995 1 1451 . 1 1 157 157 GLY N N 15 114.09 0.1 . 1 . . . . 157 GLY N . 6995 1 1452 . 1 1 158 158 LEU H H 1 7.89 0.01 . 1 . . . . 158 LEU H . 6995 1 1453 . 1 1 158 158 LEU HA H 1 3.96 0.01 . 1 . . . . 158 LEU HA . 6995 1 1454 . 1 1 158 158 LEU HB2 H 1 1.89 0.01 . 2 . . . . 158 LEU HB2 . 6995 1 1455 . 1 1 158 158 LEU HB3 H 1 1.47 0.01 . 2 . . . . 158 LEU HB3 . 6995 1 1456 . 1 1 158 158 LEU HG H 1 1.61 0.01 . 1 . . . . 158 LEU HG . 6995 1 1457 . 1 1 158 158 LEU HD11 H 1 0.80 0.01 . 2 . . . . 158 LEU HD1 . 6995 1 1458 . 1 1 158 158 LEU HD12 H 1 0.80 0.01 . 2 . . . . 158 LEU HD1 . 6995 1 1459 . 1 1 158 158 LEU HD13 H 1 0.80 0.01 . 2 . . . . 158 LEU HD1 . 6995 1 1460 . 1 1 158 158 LEU C C 13 177.76 0.1 . 1 . . . . 158 LEU C . 6995 1 1461 . 1 1 158 158 LEU CA C 13 58.29 0.1 . 1 . . . . 158 LEU CA . 6995 1 1462 . 1 1 158 158 LEU CB C 13 42.23 0.1 . 1 . . . . 158 LEU CB . 6995 1 1463 . 1 1 158 158 LEU CG C 13 27.22 0.1 . 1 . . . . 158 LEU CG . 6995 1 1464 . 1 1 158 158 LEU CD1 C 13 25.11 0.1 . 2 . . . . 158 LEU CD1 . 6995 1 1465 . 1 1 158 158 LEU N N 15 123.95 0.1 . 1 . . . . 158 LEU N . 6995 1 1466 . 1 1 159 159 ASP H H 1 8.53 0.01 . 1 . . . . 159 ASP H . 6995 1 1467 . 1 1 159 159 ASP HA H 1 4.36 0.01 . 1 . . . . 159 ASP HA . 6995 1 1468 . 1 1 159 159 ASP HB2 H 1 2.79 0.01 . 2 . . . . 159 ASP HB2 . 6995 1 1469 . 1 1 159 159 ASP HB3 H 1 2.75 0.01 . 2 . . . . 159 ASP HB3 . 6995 1 1470 . 1 1 159 159 ASP C C 13 178.71 0.1 . 1 . . . . 159 ASP C . 6995 1 1471 . 1 1 159 159 ASP CA C 13 57.84 0.1 . 1 . . . . 159 ASP CA . 6995 1 1472 . 1 1 159 159 ASP CB C 13 39.34 0.1 . 1 . . . . 159 ASP CB . 6995 1 1473 . 1 1 159 159 ASP N N 15 119.27 0.1 . 1 . . . . 159 ASP N . 6995 1 1474 . 1 1 160 160 HIS H H 1 8.18 0.01 . 1 . . . . 160 HIS H . 6995 1 1475 . 1 1 160 160 HIS HA H 1 4.58 0.01 . 1 . . . . 160 HIS HA . 6995 1 1476 . 1 1 160 160 HIS HB2 H 1 3.33 0.01 . 2 . . . . 160 HIS HB2 . 6995 1 1477 . 1 1 160 160 HIS HD2 H 1 7.61 0.01 . 1 . . . . 160 HIS HD2 . 6995 1 1478 . 1 1 160 160 HIS HE1 H 1 8.63 0.01 . 1 . . . . 160 HIS HE1 . 6995 1 1479 . 1 1 160 160 HIS C C 13 176.36 0.1 . 1 . . . . 160 HIS C . 6995 1 1480 . 1 1 160 160 HIS CA C 13 58.46 0.1 . 1 . . . . 160 HIS CA . 6995 1 1481 . 1 1 160 160 HIS CB C 13 28.29 0.1 . 1 . . . . 160 HIS CB . 6995 1 1482 . 1 1 160 160 HIS CD2 C 13 120.66 0.1 . 1 . . . . 160 HIS CD2 . 6995 1 1483 . 1 1 160 160 HIS CE1 C 13 137.32 0.1 . 1 . . . . 160 HIS CE1 . 6995 1 1484 . 1 1 160 160 HIS N N 15 120.26 0.1 . 1 . . . . 160 HIS N . 6995 1 1485 . 1 1 161 161 LEU H H 1 7.44 0.01 . 1 . . . . 161 LEU H . 6995 1 1486 . 1 1 161 161 LEU HA H 1 4.29 0.01 . 1 . . . . 161 LEU HA . 6995 1 1487 . 1 1 161 161 LEU HB2 H 1 2.30 0.01 . 2 . . . . 161 LEU HB2 . 6995 1 1488 . 1 1 161 161 LEU HB3 H 1 1.47 0.01 . 2 . . . . 161 LEU HB3 . 6995 1 1489 . 1 1 161 161 LEU HD11 H 1 0.92 0.01 . 2 . . . . 161 LEU HD1 . 6995 1 1490 . 1 1 161 161 LEU HD12 H 1 0.92 0.01 . 2 . . . . 161 LEU HD1 . 6995 1 1491 . 1 1 161 161 LEU HD13 H 1 0.92 0.01 . 2 . . . . 161 LEU HD1 . 6995 1 1492 . 1 1 161 161 LEU HD21 H 1 0.88 0.01 . 2 . . . . 161 LEU HD2 . 6995 1 1493 . 1 1 161 161 LEU HD22 H 1 0.88 0.01 . 2 . . . . 161 LEU HD2 . 6995 1 1494 . 1 1 161 161 LEU HD23 H 1 0.88 0.01 . 2 . . . . 161 LEU HD2 . 6995 1 1495 . 1 1 161 161 LEU C C 13 178.14 0.1 . 1 . . . . 161 LEU C . 6995 1 1496 . 1 1 161 161 LEU CA C 13 58.73 0.1 . 1 . . . . 161 LEU CA . 6995 1 1497 . 1 1 161 161 LEU CB C 13 40.96 0.1 . 1 . . . . 161 LEU CB . 6995 1 1498 . 1 1 161 161 LEU CG C 13 26.93 0.1 . 1 . . . . 161 LEU CG . 6995 1 1499 . 1 1 161 161 LEU CD1 C 13 23.60 0.1 . 2 . . . . 161 LEU CD1 . 6995 1 1500 . 1 1 161 161 LEU CD2 C 13 26.93 0.1 . 2 . . . . 161 LEU CD2 . 6995 1 1501 . 1 1 161 161 LEU N N 15 120.44 0.1 . 1 . . . . 161 LEU N . 6995 1 1502 . 1 1 162 162 LEU H H 1 7.89 0.01 . 1 . . . . 162 LEU H . 6995 1 1503 . 1 1 162 162 LEU HA H 1 3.98 0.01 . 1 . . . . 162 LEU HA . 6995 1 1504 . 1 1 162 162 LEU HB2 H 1 2.13 0.01 . 2 . . . . 162 LEU HB2 . 6995 1 1505 . 1 1 162 162 LEU HB3 H 1 1.97 0.01 . 2 . . . . 162 LEU HB3 . 6995 1 1506 . 1 1 162 162 LEU HG H 1 1.44 0.01 . 1 . . . . 162 LEU HG . 6995 1 1507 . 1 1 162 162 LEU HD11 H 1 0.97 0.01 . 2 . . . . 162 LEU HD1 . 6995 1 1508 . 1 1 162 162 LEU HD12 H 1 0.97 0.01 . 2 . . . . 162 LEU HD1 . 6995 1 1509 . 1 1 162 162 LEU HD13 H 1 0.97 0.01 . 2 . . . . 162 LEU HD1 . 6995 1 1510 . 1 1 162 162 LEU HD21 H 1 0.94 0.01 . 2 . . . . 162 LEU HD2 . 6995 1 1511 . 1 1 162 162 LEU HD22 H 1 0.94 0.01 . 2 . . . . 162 LEU HD2 . 6995 1 1512 . 1 1 162 162 LEU HD23 H 1 0.94 0.01 . 2 . . . . 162 LEU HD2 . 6995 1 1513 . 1 1 162 162 LEU C C 13 178.38 0.1 . 1 . . . . 162 LEU C . 6995 1 1514 . 1 1 162 162 LEU CA C 13 58.59 0.1 . 1 . . . . 162 LEU CA . 6995 1 1515 . 1 1 162 162 LEU CB C 13 41.02 0.1 . 1 . . . . 162 LEU CB . 6995 1 1516 . 1 1 162 162 LEU CG C 13 27.12 0.1 . 1 . . . . 162 LEU CG . 6995 1 1517 . 1 1 162 162 LEU CD1 C 13 25.59 0.1 . 2 . . . . 162 LEU CD1 . 6995 1 1518 . 1 1 162 162 LEU CD2 C 13 23.14 0.1 . 2 . . . . 162 LEU CD2 . 6995 1 1519 . 1 1 162 162 LEU N N 15 118.09 0.1 . 1 . . . . 162 LEU N . 6995 1 1520 . 1 1 163 163 GLU H H 1 8.00 0.01 . 1 . . . . 163 GLU H . 6995 1 1521 . 1 1 163 163 GLU HA H 1 3.93 0.01 . 1 . . . . 163 GLU HA . 6995 1 1522 . 1 1 163 163 GLU HB2 H 1 2.24 0.01 . 2 . . . . 163 GLU HB2 . 6995 1 1523 . 1 1 163 163 GLU HG2 H 1 2.48 0.01 . 2 . . . . 163 GLU HG2 . 6995 1 1524 . 1 1 163 163 GLU HG3 H 1 2.27 0.01 . 2 . . . . 163 GLU HG3 . 6995 1 1525 . 1 1 163 163 GLU C C 13 179.87 0.1 . 1 . . . . 163 GLU C . 6995 1 1526 . 1 1 163 163 GLU CA C 13 59.61 0.1 . 1 . . . . 163 GLU CA . 6995 1 1527 . 1 1 163 163 GLU CB C 13 29.27 0.1 . 1 . . . . 163 GLU CB . 6995 1 1528 . 1 1 163 163 GLU CG C 13 36.46 0.1 . 1 . . . . 163 GLU CG . 6995 1 1529 . 1 1 163 163 GLU N N 15 118.62 0.1 . 1 . . . . 163 GLU N . 6995 1 1530 . 1 1 164 164 MET H H 1 8.11 0.01 . 1 . . . . 164 MET H . 6995 1 1531 . 1 1 164 164 MET HA H 1 4.59 0.01 . 1 . . . . 164 MET HA . 6995 1 1532 . 1 1 164 164 MET HB2 H 1 2.16 0.01 . 2 . . . . 164 MET HB2 . 6995 1 1533 . 1 1 164 164 MET HE1 H 1 2.05 0.01 . 1 . . . . 164 MET HE . 6995 1 1534 . 1 1 164 164 MET HE2 H 1 2.05 0.01 . 1 . . . . 164 MET HE . 6995 1 1535 . 1 1 164 164 MET HE3 H 1 2.05 0.01 . 1 . . . . 164 MET HE . 6995 1 1536 . 1 1 164 164 MET C C 13 178.11 0.1 . 1 . . . . 164 MET C . 6995 1 1537 . 1 1 164 164 MET CA C 13 56.61 0.1 . 1 . . . . 164 MET CA . 6995 1 1538 . 1 1 164 164 MET CB C 13 32.82 0.1 . 1 . . . . 164 MET CB . 6995 1 1539 . 1 1 164 164 MET CE C 13 19.76 0.1 . 1 . . . . 164 MET CE . 6995 1 1540 . 1 1 164 164 MET N N 15 120.29 0.1 . 1 . . . . 164 MET N . 6995 1 1541 . 1 1 165 165 ILE H H 1 8.16 0.01 . 1 . . . . 165 ILE H . 6995 1 1542 . 1 1 165 165 ILE HA H 1 3.41 0.01 . 1 . . . . 165 ILE HA . 6995 1 1543 . 1 1 165 165 ILE HB H 1 2.14 0.01 . 1 . . . . 165 ILE HB . 6995 1 1544 . 1 1 165 165 ILE HG12 H 1 2.01 0.01 . 2 . . . . 165 ILE HG12 . 6995 1 1545 . 1 1 165 165 ILE HG13 H 1 0.79 0.01 . 2 . . . . 165 ILE HG13 . 6995 1 1546 . 1 1 165 165 ILE HG21 H 1 0.73 0.01 . 1 . . . . 165 ILE HG2 . 6995 1 1547 . 1 1 165 165 ILE HG22 H 1 0.73 0.01 . 1 . . . . 165 ILE HG2 . 6995 1 1548 . 1 1 165 165 ILE HG23 H 1 0.73 0.01 . 1 . . . . 165 ILE HG2 . 6995 1 1549 . 1 1 165 165 ILE HD11 H 1 1.01 0.01 . 1 . . . . 165 ILE HD1 . 6995 1 1550 . 1 1 165 165 ILE HD12 H 1 1.01 0.01 . 1 . . . . 165 ILE HD1 . 6995 1 1551 . 1 1 165 165 ILE HD13 H 1 1.01 0.01 . 1 . . . . 165 ILE HD1 . 6995 1 1552 . 1 1 165 165 ILE CA C 13 65.92 0.1 . 1 . . . . 165 ILE CA . 6995 1 1553 . 1 1 165 165 ILE CB C 13 37.85 0.1 . 1 . . . . 165 ILE CB . 6995 1 1554 . 1 1 165 165 ILE CG1 C 13 29.33 0.1 . 1 . . . . 165 ILE CG1 . 6995 1 1555 . 1 1 165 165 ILE CG2 C 13 17.63 0.1 . 1 . . . . 165 ILE CG2 . 6995 1 1556 . 1 1 165 165 ILE CD1 C 13 15.33 0.1 . 1 . . . . 165 ILE CD1 . 6995 1 1557 . 1 1 165 165 ILE N N 15 122.08 0.1 . 1 . . . . 165 ILE N . 6995 1 1558 . 1 1 166 166 LEU HA H 1 3.97 0.01 . 1 . . . . 166 LEU HA . 6995 1 1559 . 1 1 166 166 LEU HB2 H 1 1.93 0.01 . 2 . . . . 166 LEU HB2 . 6995 1 1560 . 1 1 166 166 LEU HB3 H 1 1.62 0.01 . 2 . . . . 166 LEU HB3 . 6995 1 1561 . 1 1 166 166 LEU HG H 1 1.98 0.01 . 1 . . . . 166 LEU HG . 6995 1 1562 . 1 1 166 166 LEU HD11 H 1 0.96 0.01 . 2 . . . . 166 LEU HD1 . 6995 1 1563 . 1 1 166 166 LEU HD12 H 1 0.96 0.01 . 2 . . . . 166 LEU HD1 . 6995 1 1564 . 1 1 166 166 LEU HD13 H 1 0.96 0.01 . 2 . . . . 166 LEU HD1 . 6995 1 1565 . 1 1 166 166 LEU HD21 H 1 0.87 0.01 . 2 . . . . 166 LEU HD2 . 6995 1 1566 . 1 1 166 166 LEU HD22 H 1 0.87 0.01 . 2 . . . . 166 LEU HD2 . 6995 1 1567 . 1 1 166 166 LEU HD23 H 1 0.87 0.01 . 2 . . . . 166 LEU HD2 . 6995 1 1568 . 1 1 166 166 LEU C C 13 179.36 0.1 . 1 . . . . 166 LEU C . 6995 1 1569 . 1 1 166 166 LEU CA C 13 57.87 0.1 . 1 . . . . 166 LEU CA . 6995 1 1570 . 1 1 166 166 LEU CB C 13 41.16 0.1 . 1 . . . . 166 LEU CB . 6995 1 1571 . 1 1 166 166 LEU CG C 13 27.17 0.1 . 1 . . . . 166 LEU CG . 6995 1 1572 . 1 1 166 166 LEU CD1 C 13 25.17 0.1 . 2 . . . . 166 LEU CD1 . 6995 1 1573 . 1 1 166 166 LEU CD2 C 13 23.32 0.1 . 2 . . . . 166 LEU CD2 . 6995 1 1574 . 1 1 167 167 LEU H H 1 7.92 0.01 . 1 . . . . 167 LEU H . 6995 1 1575 . 1 1 167 167 LEU HA H 1 4.22 0.01 . 1 . . . . 167 LEU HA . 6995 1 1576 . 1 1 167 167 LEU HB2 H 1 2.06 0.01 . 2 . . . . 167 LEU HB2 . 6995 1 1577 . 1 1 167 167 LEU HB3 H 1 1.82 0.01 . 2 . . . . 167 LEU HB3 . 6995 1 1578 . 1 1 167 167 LEU HG H 1 1.70 0.01 . 1 . . . . 167 LEU HG . 6995 1 1579 . 1 1 167 167 LEU HD11 H 1 1.03 0.01 . 2 . . . . 167 LEU HD1 . 6995 1 1580 . 1 1 167 167 LEU HD12 H 1 1.03 0.01 . 2 . . . . 167 LEU HD1 . 6995 1 1581 . 1 1 167 167 LEU HD13 H 1 1.03 0.01 . 2 . . . . 167 LEU HD1 . 6995 1 1582 . 1 1 167 167 LEU HD21 H 1 1.00 0.01 . 2 . . . . 167 LEU HD2 . 6995 1 1583 . 1 1 167 167 LEU HD22 H 1 1.00 0.01 . 2 . . . . 167 LEU HD2 . 6995 1 1584 . 1 1 167 167 LEU HD23 H 1 1.00 0.01 . 2 . . . . 167 LEU HD2 . 6995 1 1585 . 1 1 167 167 LEU C C 13 179.40 0.1 . 1 . . . . 167 LEU C . 6995 1 1586 . 1 1 167 167 LEU CA C 13 58.60 0.1 . 1 . . . . 167 LEU CA . 6995 1 1587 . 1 1 167 167 LEU CB C 13 42.20 0.1 . 1 . . . . 167 LEU CB . 6995 1 1588 . 1 1 167 167 LEU CG C 13 27.20 0.1 . 1 . . . . 167 LEU CG . 6995 1 1589 . 1 1 167 167 LEU CD1 C 13 24.31 0.1 . 2 . . . . 167 LEU CD1 . 6995 1 1590 . 1 1 167 167 LEU CD2 C 13 24.87 0.1 . 2 . . . . 167 LEU CD2 . 6995 1 1591 . 1 1 167 167 LEU N N 15 123.18 0.1 . 1 . . . . 167 LEU N . 6995 1 1592 . 1 1 168 168 VAL H H 1 8.46 0.01 . 1 . . . . 168 VAL H . 6995 1 1593 . 1 1 168 168 VAL HA H 1 3.75 0.01 . 1 . . . . 168 VAL HA . 6995 1 1594 . 1 1 168 168 VAL HB H 1 2.11 0.01 . 1 . . . . 168 VAL HB . 6995 1 1595 . 1 1 168 168 VAL HG11 H 1 1.11 0.01 . 2 . . . . 168 VAL HG1 . 6995 1 1596 . 1 1 168 168 VAL HG12 H 1 1.11 0.01 . 2 . . . . 168 VAL HG1 . 6995 1 1597 . 1 1 168 168 VAL HG13 H 1 1.11 0.01 . 2 . . . . 168 VAL HG1 . 6995 1 1598 . 1 1 168 168 VAL HG21 H 1 0.94 0.01 . 2 . . . . 168 VAL HG2 . 6995 1 1599 . 1 1 168 168 VAL HG22 H 1 0.94 0.01 . 2 . . . . 168 VAL HG2 . 6995 1 1600 . 1 1 168 168 VAL HG23 H 1 0.94 0.01 . 2 . . . . 168 VAL HG2 . 6995 1 1601 . 1 1 168 168 VAL C C 13 178.40 0.1 . 1 . . . . 168 VAL C . 6995 1 1602 . 1 1 168 168 VAL CA C 13 66.61 0.1 . 1 . . . . 168 VAL CA . 6995 1 1603 . 1 1 168 168 VAL CB C 13 31.70 0.1 . 1 . . . . 168 VAL CB . 6995 1 1604 . 1 1 168 168 VAL CG1 C 13 24.14 0.1 . 2 . . . . 168 VAL CG1 . 6995 1 1605 . 1 1 168 168 VAL CG2 C 13 21.79 0.1 . 2 . . . . 168 VAL CG2 . 6995 1 1606 . 1 1 168 168 VAL N N 15 120.79 0.1 . 1 . . . . 168 VAL N . 6995 1 1607 . 1 1 169 169 SER H H 1 8.27 0.01 . 1 . . . . 169 SER H . 6995 1 1608 . 1 1 169 169 SER HA H 1 4.10 0.01 . 1 . . . . 169 SER HA . 6995 1 1609 . 1 1 169 169 SER HB2 H 1 3.97 0.01 . 2 . . . . 169 SER HB2 . 6995 1 1610 . 1 1 169 169 SER C C 13 175.93 0.1 . 1 . . . . 169 SER C . 6995 1 1611 . 1 1 169 169 SER CA C 13 62.21 0.1 . 1 . . . . 169 SER CA . 6995 1 1612 . 1 1 169 169 SER CB C 13 62.68 0.1 . 1 . . . . 169 SER CB . 6995 1 1613 . 1 1 169 169 SER N N 15 115.67 0.1 . 1 . . . . 169 SER N . 6995 1 1614 . 1 1 170 170 GLU H H 1 7.86 0.01 . 1 . . . . 170 GLU H . 6995 1 1615 . 1 1 170 170 GLU HA H 1 4.11 0.01 . 1 . . . . 170 GLU HA . 6995 1 1616 . 1 1 170 170 GLU C C 13 178.40 0.1 . 1 . . . . 170 GLU C . 6995 1 1617 . 1 1 170 170 GLU CA C 13 58.66 0.1 . 1 . . . . 170 GLU CA . 6995 1 1618 . 1 1 170 170 GLU N N 15 122.44 0.1 . 1 . . . . 170 GLU N . 6995 1 1619 . 1 1 171 171 MET H H 1 8.15 0.01 . 1 . . . . 171 MET H . 6995 1 1620 . 1 1 171 171 MET HE1 H 1 2.18 0.01 . 1 . . . . 171 MET HE . 6995 1 1621 . 1 1 171 171 MET HE2 H 1 2.18 0.01 . 1 . . . . 171 MET HE . 6995 1 1622 . 1 1 171 171 MET HE3 H 1 2.18 0.01 . 1 . . . . 171 MET HE . 6995 1 1623 . 1 1 171 171 MET CE C 13 16.93 0.1 . 1 . . . . 171 MET CE . 6995 1 1624 . 1 1 171 171 MET N N 15 120.28 0.1 . 1 . . . . 171 MET N . 6995 1 1625 . 1 1 172 172 GLU HA H 1 4.19 0.01 . 1 . . . . 172 GLU HA . 6995 1 1626 . 1 1 172 172 GLU HB2 H 1 2.21 0.01 . 2 . . . . 172 GLU HB2 . 6995 1 1627 . 1 1 172 172 GLU HG2 H 1 2.46 0.01 . 2 . . . . 172 GLU HG2 . 6995 1 1628 . 1 1 172 172 GLU C C 13 178.41 0.1 . 1 . . . . 172 GLU C . 6995 1 1629 . 1 1 172 172 GLU CA C 13 58.29 0.1 . 1 . . . . 172 GLU CA . 6995 1 1630 . 1 1 172 172 GLU CB C 13 29.84 0.1 . 1 . . . . 172 GLU CB . 6995 1 1631 . 1 1 172 172 GLU CG C 13 36.40 0.1 . 1 . . . . 172 GLU CG . 6995 1 1632 . 1 1 173 173 GLU H H 1 8.16 0.01 . 1 . . . . 173 GLU H . 6995 1 1633 . 1 1 173 173 GLU HA H 1 4.18 0.01 . 1 . . . . 173 GLU HA . 6995 1 1634 . 1 1 173 173 GLU HG2 H 1 2.40 0.01 . 2 . . . . 173 GLU HG2 . 6995 1 1635 . 1 1 173 173 GLU HG3 H 1 2.34 0.01 . 2 . . . . 173 GLU HG3 . 6995 1 1636 . 1 1 173 173 GLU C C 13 177.69 0.1 . 1 . . . . 173 GLU C . 6995 1 1637 . 1 1 173 173 GLU CA C 13 57.96 0.1 . 1 . . . . 173 GLU CA . 6995 1 1638 . 1 1 173 173 GLU CB C 13 29.84 0.1 . 1 . . . . 173 GLU CB . 6995 1 1639 . 1 1 173 173 GLU CG C 13 36.48 0.1 . 1 . . . . 173 GLU CG . 6995 1 1640 . 1 1 173 173 GLU N N 15 121.75 0.1 . 1 . . . . 173 GLU N . 6995 1 1641 . 1 1 174 174 LEU H H 1 7.84 0.01 . 1 . . . . 174 LEU H . 6995 1 1642 . 1 1 174 174 LEU HA H 1 4.31 0.01 . 1 . . . . 174 LEU HA . 6995 1 1643 . 1 1 174 174 LEU HB2 H 1 1.83 0.01 . 2 . . . . 174 LEU HB2 . 6995 1 1644 . 1 1 174 174 LEU HB3 H 1 1.70 0.01 . 2 . . . . 174 LEU HB3 . 6995 1 1645 . 1 1 174 174 LEU HG H 1 1.82 0.01 . 1 . . . . 174 LEU HG . 6995 1 1646 . 1 1 174 174 LEU HD11 H 1 1.00 0.01 . 2 . . . . 174 LEU HD1 . 6995 1 1647 . 1 1 174 174 LEU HD12 H 1 1.00 0.01 . 2 . . . . 174 LEU HD1 . 6995 1 1648 . 1 1 174 174 LEU HD13 H 1 1.00 0.01 . 2 . . . . 174 LEU HD1 . 6995 1 1649 . 1 1 174 174 LEU HD21 H 1 0.95 0.01 . 2 . . . . 174 LEU HD2 . 6995 1 1650 . 1 1 174 174 LEU HD22 H 1 0.95 0.01 . 2 . . . . 174 LEU HD2 . 6995 1 1651 . 1 1 174 174 LEU HD23 H 1 0.95 0.01 . 2 . . . . 174 LEU HD2 . 6995 1 1652 . 1 1 174 174 LEU C C 13 178.22 0.1 . 1 . . . . 174 LEU C . 6995 1 1653 . 1 1 174 174 LEU CA C 13 56.17 0.1 . 1 . . . . 174 LEU CA . 6995 1 1654 . 1 1 174 174 LEU CB C 13 41.97 0.1 . 1 . . . . 174 LEU CB . 6995 1 1655 . 1 1 174 174 LEU CG C 13 27.05 0.1 . 1 . . . . 174 LEU CG . 6995 1 1656 . 1 1 174 174 LEU CD1 C 13 25.13 0.1 . 2 . . . . 174 LEU CD1 . 6995 1 1657 . 1 1 174 174 LEU CD2 C 13 23.32 0.1 . 2 . . . . 174 LEU CD2 . 6995 1 1658 . 1 1 174 174 LEU N N 15 121.09 0.1 . 1 . . . . 174 LEU N . 6995 1 1659 . 1 1 175 175 LYS H H 1 7.75 0.01 . 1 . . . . 175 LYS H . 6995 1 1660 . 1 1 175 175 LYS HA H 1 4.26 0.01 . 1 . . . . 175 LYS HA . 6995 1 1661 . 1 1 175 175 LYS HB2 H 1 1.92 0.01 . 2 . . . . 175 LYS HB2 . 6995 1 1662 . 1 1 175 175 LYS HG2 H 1 1.51 0.01 . 2 . . . . 175 LYS HG2 . 6995 1 1663 . 1 1 175 175 LYS HG3 H 1 1.61 0.01 . 2 . . . . 175 LYS HG3 . 6995 1 1664 . 1 1 175 175 LYS HD2 H 1 1.77 0.01 . 2 . . . . 175 LYS HD2 . 6995 1 1665 . 1 1 175 175 LYS HE2 H 1 3.03 0.01 . 2 . . . . 175 LYS HE2 . 6995 1 1666 . 1 1 175 175 LYS C C 13 176.55 0.1 . 1 . . . . 175 LYS C . 6995 1 1667 . 1 1 175 175 LYS CA C 13 57.06 0.1 . 1 . . . . 175 LYS CA . 6995 1 1668 . 1 1 175 175 LYS CB C 13 32.94 0.1 . 1 . . . . 175 LYS CB . 6995 1 1669 . 1 1 175 175 LYS CG C 13 25.07 0.1 . 1 . . . . 175 LYS CG . 6995 1 1670 . 1 1 175 175 LYS CD C 13 29.50 0.1 . 1 . . . . 175 LYS CD . 6995 1 1671 . 1 1 175 175 LYS CE C 13 41.96 0.1 . 1 . . . . 175 LYS CE . 6995 1 1672 . 1 1 175 175 LYS N N 15 120.69 0.1 . 1 . . . . 175 LYS N . 6995 1 1673 . 1 1 176 176 ALA H H 1 7.84 0.01 . 1 . . . . 176 ALA H . 6995 1 1674 . 1 1 176 176 ALA HA H 1 4.33 0.01 . 1 . . . . 176 ALA HA . 6995 1 1675 . 1 1 176 176 ALA HB1 H 1 1.46 0.01 . 1 . . . . 176 ALA HB . 6995 1 1676 . 1 1 176 176 ALA HB2 H 1 1.46 0.01 . 1 . . . . 176 ALA HB . 6995 1 1677 . 1 1 176 176 ALA HB3 H 1 1.46 0.01 . 1 . . . . 176 ALA HB . 6995 1 1678 . 1 1 176 176 ALA C C 13 176.96 0.1 . 1 . . . . 176 ALA C . 6995 1 1679 . 1 1 176 176 ALA CA C 13 52.48 0.1 . 1 . . . . 176 ALA CA . 6995 1 1680 . 1 1 176 176 ALA CB C 13 19.30 0.1 . 1 . . . . 176 ALA CB . 6995 1 1681 . 1 1 176 176 ALA N N 15 123.74 0.1 . 1 . . . . 176 ALA N . 6995 1 1682 . 1 1 177 177 ASN H H 1 8.07 0.01 . 1 . . . . 177 ASN H . 6995 1 1683 . 1 1 177 177 ASN HA H 1 5.04 0.01 . 1 . . . . 177 ASN HA . 6995 1 1684 . 1 1 177 177 ASN HB2 H 1 2.71 0.01 . 2 . . . . 177 ASN HB2 . 6995 1 1685 . 1 1 177 177 ASN CA C 13 51.39 0.1 . 1 . . . . 177 ASN CA . 6995 1 1686 . 1 1 177 177 ASN CB C 13 39.55 0.1 . 1 . . . . 177 ASN CB . 6995 1 1687 . 1 1 177 177 ASN N N 15 119.61 0.1 . 1 . . . . 177 ASN N . 6995 1 1688 . 1 1 178 178 PRO HA H 1 4.30 0.01 . 1 . . . . 178 PRO HA . 6995 1 1689 . 1 1 178 178 PRO HB2 H 1 1.98 0.01 . 2 . . . . 178 PRO HB2 . 6995 1 1690 . 1 1 178 178 PRO HG2 H 1 2.04 0.01 . 2 . . . . 178 PRO HG2 . 6995 1 1691 . 1 1 178 178 PRO HD2 H 1 3.72 0.01 . 2 . . . . 178 PRO HD2 . 6995 1 1692 . 1 1 178 178 PRO CA C 13 65.05 0.1 . 1 . . . . 178 PRO CA . 6995 1 1693 . 1 1 178 178 PRO CB C 13 32.17 0.1 . 1 . . . . 178 PRO CB . 6995 1 1694 . 1 1 178 178 PRO CG C 13 27.17 0.1 . 1 . . . . 178 PRO CG . 6995 1 1695 . 1 1 178 178 PRO CD C 13 50.26 0.1 . 1 . . . . 178 PRO CD . 6995 1 stop_ save_