data_4577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4577 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Ribosomal Protein S4 delta 41 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-01-27 _Entry.Accession_date 2000-01-27 _Entry.Last_release_date 2000-03-06 _Entry.Original_release_date 2000-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michelle Markus . A. . 4577 2 Resi Gerstner . B. . 4577 3 David Draper . E. . 4577 4 Dennis Torchia . A. . 4577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4577 coupling_constants 1 4577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1080 4577 '13C chemical shifts' 712 4577 '15N chemical shifts' 173 4577 'coupling constants' 113 4577 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-03-06 2000-01-27 original author . 4577 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98372722 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of ribosomal protein S4 delta41 reveals two subdomains and a positively charged surface that may interact with RNA. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4559 _Citation.Page_last 4571 _Citation.Year 1998 _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 Michelle Markus . A. . 4577 1 2 Resi Gerstner . B. . 4577 1 3 David Draper . E. . 4577 1 4 Dennis Torchia . A. . 4577 1 stop_ save_ save_refined_structure _Citation.Sf_category citations _Citation.Sf_framecode refined_structure _Citation.Entry_ID 4577 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10493882 _Citation.Full_citation 'Journal of Molecular Biology (1999) 292: 375-387' _Citation.Title 'Refining the overall structure and subdomain orientation of ribosomal protein S4 delta41 with dipolar couplings measured by NMR in uniaxial liquid crystalline phases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 292 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 375 _Citation.Page_last 387 _Citation.Year 1999 _Citation.Details ; Prokaryotic protein S4 initiates assembly of the small ribosomal subunit by binding to 16 S rRNA. Residues 43-200 of S4 from Bacillus stearothermophilus (S4 Delta41) bind to both 16 S rRNA and to a mRNA pseudoknot. In order to obtain structure-based insights regarding RNA binding, we previously determined the solution structure of S4 Delta41 using NOE, hydrogen bond, and torsion angle restraints. S4 Delta41 is elongated, with two distinct subdomains, one all helical, the other including a beta-sheet. In contrast to the high resolution structures obtained for each individual subdomain, their relative orientation was not precisely defined because only 17 intersubdomain NOE restraints were determined. Compared to the 1.7 A crystal structure, when the sheet-containing subdomains are superimposed, the helical subdomain is twisted by almost 45 degrees about the long axis of the molecule in the solution structure. Because variations in subdomain orientation may explain how the protein recognizes multiple RNA targets, our current goal is to determine the orientation of the subdomains in solution with high precision. To this end, NOE assignments were re-examined. NOESY experiments on a specifically labeled sample revealed that one of the intersubdomain restraints had been misassigned. However, the revised set of NOE restraints produces solution structures that still have imprecisely defined subdomain orientations and that lie between the original NMR structure and the crystal structure. In contrast, augmenting the NOE restraints with N-H dipolar couplings, measured in uniaxial liquid crystalline phases, clearly establishes the relative orientation of the subdomains. Data obtained from two independent liquid crystalline milieux, DMPC/DHPC bicelles and the filamentous bacteriophage Pf1, show that the relative orientation of the subdomains in solution is quite similar to the subdomain orientation in the crystal structure. The solution structure, refined with dipolar data, is presented and its implications for S4's RNA binding activity are discussed. ; 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 M.A. Markus M. A. . 4577 2 2 R.B. Gerstner R. B. . 4577 2 3 D.E. Draper D. E. . 4577 2 4 D.A. Torchia D. A. . 4577 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_S4_delta_41 _Assembly.Sf_category assembly _Assembly.Sf_framecode S4_delta_41 _Assembly.Entry_ID 4577 _Assembly.ID 1 _Assembly.Name 'RIBOSOMAL PROTEIN S4 DELTA 41' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4577 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 S4D41 1 $S4D41 . . . native . . . . . 4577 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RIBOSOMAL PROTEIN S4 DELTA 41' system 4577 1 'S4 delta 41' abbreviation 4577 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ribosomal protein' 4577 1 'small subunit assembly' 4577 1 'binds mRNA' 4577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S4D41 _Entity.Sf_category entity _Entity.Sf_framecode S4D41 _Entity.Entry_ID 4577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RIBOSOMAL PROTEIN S4 DELTA 41' _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 ; MKLSEYGLQLQEKQKLRHMY GVNERQFRKTFEEAGKMPGK HGENFMILLESRLDNLVYRL GLARTRRQARQLVTHGHILV DGSRVNIPSYRVKPGQTIAV REKSRNLQVIKEALEANNYI PDYLSFDPEKMEGTYTRLPE RSELPAEINEALIVEFYSR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18595 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Resdiues 1 and 43-200 of the Bacillus stearothermophilus sequence for ribosomal protein S4 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1C05 . "Solution Structure Of Ribosomal Protein S4 Delta 41, Refined With Dipolar Couplings (Minimized Average Structure)" . . . . . 100.00 159 100.00 100.00 4.73e-111 . . . . 4577 1 2 no PDB 1C06 . "Solution Structure Of Ribosomal Protein S4 Delta 41, Refined With Dipolar Couplings (Ensemble Of 16 Structures)" . . . . . 100.00 159 100.00 100.00 4.73e-111 . . . . 4577 1 3 no PDB 1EG0 . "Fitting Of Components With Known Structure Into An 11.5 A Cryo-Em Map Of The E.Coli 70s Ribosome" . . . . . 100.00 159 100.00 100.00 4.73e-111 . . . . 4577 1 4 no PDB 1QD7 . "Partial Model For 30s Ribosomal Subunit" . . . . . 100.00 159 100.00 100.00 4.73e-111 . . . . 4577 1 5 no DBJ BAD77087 . "30S ribosomal protein S4 [Geobacillus kaustophilus HTA426]" . . . . . 99.37 200 98.73 100.00 8.07e-108 . . . . 4577 1 6 no DBJ GAD11883 . "30S ribosomal protein S4 [Geobacillus kaustophilus GBlys]" . . . . . 99.37 193 98.73 100.00 7.90e-108 . . . . 4577 1 7 no DBJ GAJ57797 . "30S ribosomal protein S4 [Geobacillus thermoleovorans B23]" . . . . . 99.37 193 98.73 100.00 7.90e-108 . . . . 4577 1 8 no GB AAB21091 . "ribosomal protein S4 [Bacillus stearothermophilus, Peptide, 198 aa]" . . . . . 99.37 198 99.37 100.00 1.06e-108 . . . . 4577 1 9 no GB ACX77386 . "ribosomal protein S4 [Geobacillus sp. Y412MC61]" . . . . . 99.37 200 98.73 100.00 8.16e-108 . . . . 4577 1 10 no GB ADI25738 . "ribosomal protein S4 [Geobacillus sp. C56-T3]" . . . . . 99.37 200 98.73 100.00 8.16e-108 . . . . 4577 1 11 no GB ADU95212 . "ribosomal protein S4 [Geobacillus sp. Y412MC52]" . . . . . 99.37 200 98.73 100.00 8.16e-108 . . . . 4577 1 12 no GB AEV20455 . "30S ribosomal protein S4 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 99.37 200 98.73 100.00 8.07e-108 . . . . 4577 1 13 no REF WP_011232276 . "MULTISPECIES: 30S ribosomal protein S4 [Geobacillus]" . . . . . 99.37 200 98.73 100.00 8.07e-108 . . . . 4577 1 14 no REF WP_013144461 . "MULTISPECIES: 30S ribosomal protein S4 [Geobacillus]" . . . . . 99.37 200 98.73 100.00 8.16e-108 . . . . 4577 1 15 no REF WP_025949527 . "MULTISPECIES: 30S ribosomal protein S4 [Geobacillus]" . . . . . 99.37 200 98.10 100.00 1.75e-107 . . . . 4577 1 16 no REF WP_031407624 . "30S ribosomal protein S4 [Geobacillus vulcani]" . . . . . 99.37 200 98.10 100.00 3.16e-107 . . . . 4577 1 17 no REF WP_033014494 . "30S ribosomal protein S4 [Geobacillus stearothermophilus]" . . . . . 99.37 200 100.00 100.00 5.20e-109 . . . . 4577 1 18 no SP P81288 . "RecName: Full=30S ribosomal protein S4; AltName: Full=BS5" . . . . . 99.37 200 99.37 100.00 1.13e-108 . . . . 4577 1 19 no SP Q5KW49 . "RecName: Full=30S ribosomal protein S4" . . . . . 99.37 200 98.73 100.00 8.07e-108 . . . . 4577 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RIBOSOMAL PROTEIN S4 DELTA 41' common 4577 1 S4D41 abbreviation 4577 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 1 MET . 4577 1 2 43 LYS . 4577 1 3 44 LEU . 4577 1 4 45 SER . 4577 1 5 46 GLU . 4577 1 6 47 TYR . 4577 1 7 48 GLY . 4577 1 8 49 LEU . 4577 1 9 50 GLN . 4577 1 10 51 LEU . 4577 1 11 52 GLN . 4577 1 12 53 GLU . 4577 1 13 54 LYS . 4577 1 14 55 GLN . 4577 1 15 56 LYS . 4577 1 16 57 LEU . 4577 1 17 58 ARG . 4577 1 18 59 HIS . 4577 1 19 60 MET . 4577 1 20 61 TYR . 4577 1 21 62 GLY . 4577 1 22 63 VAL . 4577 1 23 64 ASN . 4577 1 24 65 GLU . 4577 1 25 66 ARG . 4577 1 26 67 GLN . 4577 1 27 68 PHE . 4577 1 28 69 ARG . 4577 1 29 70 LYS . 4577 1 30 71 THR . 4577 1 31 72 PHE . 4577 1 32 73 GLU . 4577 1 33 74 GLU . 4577 1 34 75 ALA . 4577 1 35 76 GLY . 4577 1 36 77 LYS . 4577 1 37 78 MET . 4577 1 38 79 PRO . 4577 1 39 80 GLY . 4577 1 40 81 LYS . 4577 1 41 82 HIS . 4577 1 42 83 GLY . 4577 1 43 84 GLU . 4577 1 44 85 ASN . 4577 1 45 86 PHE . 4577 1 46 87 MET . 4577 1 47 88 ILE . 4577 1 48 89 LEU . 4577 1 49 90 LEU . 4577 1 50 91 GLU . 4577 1 51 92 SER . 4577 1 52 93 ARG . 4577 1 53 94 LEU . 4577 1 54 95 ASP . 4577 1 55 96 ASN . 4577 1 56 97 LEU . 4577 1 57 98 VAL . 4577 1 58 99 TYR . 4577 1 59 100 ARG . 4577 1 60 101 LEU . 4577 1 61 102 GLY . 4577 1 62 103 LEU . 4577 1 63 104 ALA . 4577 1 64 105 ARG . 4577 1 65 106 THR . 4577 1 66 107 ARG . 4577 1 67 108 ARG . 4577 1 68 109 GLN . 4577 1 69 110 ALA . 4577 1 70 111 ARG . 4577 1 71 112 GLN . 4577 1 72 113 LEU . 4577 1 73 114 VAL . 4577 1 74 115 THR . 4577 1 75 116 HIS . 4577 1 76 117 GLY . 4577 1 77 118 HIS . 4577 1 78 119 ILE . 4577 1 79 120 LEU . 4577 1 80 121 VAL . 4577 1 81 122 ASP . 4577 1 82 123 GLY . 4577 1 83 124 SER . 4577 1 84 125 ARG . 4577 1 85 126 VAL . 4577 1 86 127 ASN . 4577 1 87 128 ILE . 4577 1 88 129 PRO . 4577 1 89 130 SER . 4577 1 90 131 TYR . 4577 1 91 132 ARG . 4577 1 92 133 VAL . 4577 1 93 134 LYS . 4577 1 94 135 PRO . 4577 1 95 136 GLY . 4577 1 96 137 GLN . 4577 1 97 138 THR . 4577 1 98 139 ILE . 4577 1 99 140 ALA . 4577 1 100 141 VAL . 4577 1 101 142 ARG . 4577 1 102 143 GLU . 4577 1 103 144 LYS . 4577 1 104 145 SER . 4577 1 105 146 ARG . 4577 1 106 147 ASN . 4577 1 107 148 LEU . 4577 1 108 149 GLN . 4577 1 109 150 VAL . 4577 1 110 151 ILE . 4577 1 111 152 LYS . 4577 1 112 153 GLU . 4577 1 113 154 ALA . 4577 1 114 155 LEU . 4577 1 115 156 GLU . 4577 1 116 157 ALA . 4577 1 117 158 ASN . 4577 1 118 159 ASN . 4577 1 119 160 TYR . 4577 1 120 161 ILE . 4577 1 121 162 PRO . 4577 1 122 163 ASP . 4577 1 123 164 TYR . 4577 1 124 165 LEU . 4577 1 125 166 SER . 4577 1 126 167 PHE . 4577 1 127 168 ASP . 4577 1 128 169 PRO . 4577 1 129 170 GLU . 4577 1 130 171 LYS . 4577 1 131 172 MET . 4577 1 132 173 GLU . 4577 1 133 174 GLY . 4577 1 134 175 THR . 4577 1 135 176 TYR . 4577 1 136 177 THR . 4577 1 137 178 ARG . 4577 1 138 179 LEU . 4577 1 139 180 PRO . 4577 1 140 181 GLU . 4577 1 141 182 ARG . 4577 1 142 183 SER . 4577 1 143 184 GLU . 4577 1 144 185 LEU . 4577 1 145 186 PRO . 4577 1 146 187 ALA . 4577 1 147 188 GLU . 4577 1 148 189 ILE . 4577 1 149 190 ASN . 4577 1 150 191 GLU . 4577 1 151 192 ALA . 4577 1 152 193 LEU . 4577 1 153 194 ILE . 4577 1 154 195 VAL . 4577 1 155 196 GLU . 4577 1 156 197 PHE . 4577 1 157 198 TYR . 4577 1 158 199 SER . 4577 1 159 200 ARG . 4577 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4577 1 . LYS 2 2 4577 1 . LEU 3 3 4577 1 . SER 4 4 4577 1 . GLU 5 5 4577 1 . TYR 6 6 4577 1 . GLY 7 7 4577 1 . LEU 8 8 4577 1 . GLN 9 9 4577 1 . LEU 10 10 4577 1 . GLN 11 11 4577 1 . GLU 12 12 4577 1 . LYS 13 13 4577 1 . GLN 14 14 4577 1 . LYS 15 15 4577 1 . LEU 16 16 4577 1 . ARG 17 17 4577 1 . HIS 18 18 4577 1 . MET 19 19 4577 1 . TYR 20 20 4577 1 . GLY 21 21 4577 1 . VAL 22 22 4577 1 . ASN 23 23 4577 1 . GLU 24 24 4577 1 . ARG 25 25 4577 1 . GLN 26 26 4577 1 . PHE 27 27 4577 1 . ARG 28 28 4577 1 . LYS 29 29 4577 1 . THR 30 30 4577 1 . PHE 31 31 4577 1 . GLU 32 32 4577 1 . GLU 33 33 4577 1 . ALA 34 34 4577 1 . GLY 35 35 4577 1 . LYS 36 36 4577 1 . MET 37 37 4577 1 . PRO 38 38 4577 1 . GLY 39 39 4577 1 . LYS 40 40 4577 1 . HIS 41 41 4577 1 . GLY 42 42 4577 1 . GLU 43 43 4577 1 . ASN 44 44 4577 1 . PHE 45 45 4577 1 . MET 46 46 4577 1 . ILE 47 47 4577 1 . LEU 48 48 4577 1 . LEU 49 49 4577 1 . GLU 50 50 4577 1 . SER 51 51 4577 1 . ARG 52 52 4577 1 . LEU 53 53 4577 1 . ASP 54 54 4577 1 . ASN 55 55 4577 1 . LEU 56 56 4577 1 . VAL 57 57 4577 1 . TYR 58 58 4577 1 . ARG 59 59 4577 1 . LEU 60 60 4577 1 . GLY 61 61 4577 1 . LEU 62 62 4577 1 . ALA 63 63 4577 1 . ARG 64 64 4577 1 . THR 65 65 4577 1 . ARG 66 66 4577 1 . ARG 67 67 4577 1 . GLN 68 68 4577 1 . ALA 69 69 4577 1 . ARG 70 70 4577 1 . GLN 71 71 4577 1 . LEU 72 72 4577 1 . VAL 73 73 4577 1 . THR 74 74 4577 1 . HIS 75 75 4577 1 . GLY 76 76 4577 1 . HIS 77 77 4577 1 . ILE 78 78 4577 1 . LEU 79 79 4577 1 . VAL 80 80 4577 1 . ASP 81 81 4577 1 . GLY 82 82 4577 1 . SER 83 83 4577 1 . ARG 84 84 4577 1 . VAL 85 85 4577 1 . ASN 86 86 4577 1 . ILE 87 87 4577 1 . PRO 88 88 4577 1 . SER 89 89 4577 1 . TYR 90 90 4577 1 . ARG 91 91 4577 1 . VAL 92 92 4577 1 . LYS 93 93 4577 1 . PRO 94 94 4577 1 . GLY 95 95 4577 1 . GLN 96 96 4577 1 . THR 97 97 4577 1 . ILE 98 98 4577 1 . ALA 99 99 4577 1 . VAL 100 100 4577 1 . ARG 101 101 4577 1 . GLU 102 102 4577 1 . LYS 103 103 4577 1 . SER 104 104 4577 1 . ARG 105 105 4577 1 . ASN 106 106 4577 1 . LEU 107 107 4577 1 . GLN 108 108 4577 1 . VAL 109 109 4577 1 . ILE 110 110 4577 1 . LYS 111 111 4577 1 . GLU 112 112 4577 1 . ALA 113 113 4577 1 . LEU 114 114 4577 1 . GLU 115 115 4577 1 . ALA 116 116 4577 1 . ASN 117 117 4577 1 . ASN 118 118 4577 1 . TYR 119 119 4577 1 . ILE 120 120 4577 1 . PRO 121 121 4577 1 . ASP 122 122 4577 1 . TYR 123 123 4577 1 . LEU 124 124 4577 1 . SER 125 125 4577 1 . PHE 126 126 4577 1 . ASP 127 127 4577 1 . PRO 128 128 4577 1 . GLU 129 129 4577 1 . LYS 130 130 4577 1 . MET 131 131 4577 1 . GLU 132 132 4577 1 . GLY 133 133 4577 1 . THR 134 134 4577 1 . TYR 135 135 4577 1 . THR 136 136 4577 1 . ARG 137 137 4577 1 . LEU 138 138 4577 1 . PRO 139 139 4577 1 . GLU 140 140 4577 1 . ARG 141 141 4577 1 . SER 142 142 4577 1 . GLU 143 143 4577 1 . LEU 144 144 4577 1 . PRO 145 145 4577 1 . ALA 146 146 4577 1 . GLU 147 147 4577 1 . ILE 148 148 4577 1 . ASN 149 149 4577 1 . GLU 150 150 4577 1 . ALA 151 151 4577 1 . LEU 152 152 4577 1 . ILE 153 153 4577 1 . VAL 154 154 4577 1 . GLU 155 155 4577 1 . PHE 156 156 4577 1 . TYR 157 157 4577 1 . SER 158 158 4577 1 . ARG 159 159 4577 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4577 _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 $S4D41 . 1422 organism . 'Bacillus stearothermophilus' Bacteria . . Bacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 4577 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 4577 _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 $S4D41 . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli . . . . . . . . . . . . . . . . PET13A . . . ; Residues 2-42 of the naturally occurring Bacillus stearothermophilus ribosomal S4 sequence were deleted to create the delta 41 protein. ; . . 4577 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 4577 _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 'RIBOSOMAL PROTEIN S4 DELTA 41' [U-15N] . . 1 $S4D41 . . 0.800 . . mM . . . . 4577 1 2 'deuterated acetate' . . . . . . . 20 . . mM . . . . 4577 1 3 KCl . . . . . . . 250 . . mM . . . . 4577 1 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4577 1 stop_ save_ save_15N13C_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_sample_1 _Sample.Entry_ID 4577 _Sample.ID 2 _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 'RIBOSOMAL PROTEIN S4 DELTA 41' '[U-15N; U-13C]' . . 1 $S4D41 . . 1.1 . . mM . . . . 4577 2 2 D2O . . . . . . . 6 . . % . . . . 4577 2 3 'deuterated acetate' . . . . . . . 20 . . mM . . . . 4577 2 4 KCl . . . . . . . 250 . . mM . . . . 4577 2 5 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4577 2 stop_ save_ save_15N13C_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_sample_2 _Sample.Entry_ID 4577 _Sample.ID 3 _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 'RIBOSOMAL PROTEIN S4 DELTA 41' '[U-15N; U-13C]' . . 1 $S4D41 . . 1.1 . . mM . . . . 4577 3 2 D2O . . . . . . . 99.9 . . % . . . . 4577 3 3 'deuterated acetate' . . . . . . . 20 . . mM . . . . 4577 3 4 KCl . . . . . . . 250 . . mM . . . . 4577 3 5 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4577 3 stop_ save_ save_bicelle_sample _Sample.Sf_category sample _Sample.Sf_framecode bicelle_sample _Sample.Entry_ID 4577 _Sample.ID 4 _Sample.Type bicell _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 'RIBOSOMAL PROTEIN S4 DELTA 41' [U-15N] . . 1 $S4D41 . . 0.100 . . mM . . . . 4577 4 2 '3:1 DMPC:DHPC' . . . . . . . . . . n/a . . . . 4577 4 3 KH2PO4 . . . . . . . 10 . . mM . . . . 4577 4 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4577 4 5 D2O . . . . . . . 7 . . % . . . . 4577 4 stop_ save_ save_Pf1_sample _Sample.Sf_category sample _Sample.Sf_framecode Pf1_sample _Sample.Entry_ID 4577 _Sample.ID 5 _Sample.Type bicell _Sample.Sub_type . _Sample.Details ; residue specific labelling as follows: proline: deuterated at beta, gamma, and delta positions; methionine: uniformly 15N and 13C labelled (also protonated); tyrosine: 13C labelled at the epsilon position of the ring (also protonated) ; _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 'RIBOSOMAL PROTEIN S4 DELTA 41' '[U-15N; U-85% 2H], [U-13C]-MET, [13C, CE]-TYR' . . 1 $S4D41 . . 0.214 . . mM . . . . 4577 5 2 'Pf1 phage' . . . . . . . 2.5 . . mg/ml . . . . 4577 5 3 KH2PO4 . . . . . . . 10 . . mM . . . . 4577 5 4 KCl . . . . . . . 300 . . mM . . . . 4577 5 5 'sodium azide' . . . . . . . 0.2 . . mM . . . . 4577 5 6 D2O . . . . . . . 6 . . % . . . . 4577 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4577 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'conditions refer to samples 15N_sample, 15N13C_sample_1 and 15N13C_sample_2' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.4 0.1 n/a 4577 1 temperature 310 0.5 K 4577 1 pressure 1 . atm 4577 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 4577 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'conditions refer to sample bicelle_sample' 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 6.1 0.1 n/a 4577 2 temperature 310 0.5 K 4577 2 pressure 1 . atm 4577 2 stop_ save_ save_sample_cond_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_3 _Sample_condition_list.Entry_ID 4577 _Sample_condition_list.ID 3 _Sample_condition_list.Details 'conditions refer to sample Pf1_sample' 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 n/a 4577 3 temperature 310 0.5 K 4577 3 pressure 1 . atm 4577 3 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4577 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectrometer operation and preliminary processing' 4577 1 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4577 _Software.ID 2 _Software.Name NMRPIPE _Software.Version 1.7 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 4577 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4577 _Software.ID 3 _Software.Name PIPP _Software.Version 4.2.8 _Software.Details Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 4577 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4577 _Software.ID 4 _Software.Name X-PLOR _Software.Version '3.8, 4.0' _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'solving the structure' 4577 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4577 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4577 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 4577 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 4577 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4577 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 4 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 6 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 7 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 9 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 11 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 12 3D_15N-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 13 3D_13C-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 14 4D_13C-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 15 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 16 'IPAP 15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4577 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 3D_15N-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 3D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 4D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4577 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 'IPAP 15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4577 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.000 external direct . external cylindrical parallel . . . . . . 4577 1 C 13 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4577 1 N 15 'liquid ammonia' nitrogen . . . . . . external indirect . . . . . . . . . . 4577 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4577 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCACB . . . 4577 1 2 CBCA(CO)NH . . . 4577 1 3 HNCA . . . 4577 1 4 HCACO . . . 4577 1 5 HNCO . . . 4577 1 6 HBHA(CBCACO)NH . . . 4577 1 7 HNHB . . . 4577 1 8 C(CO)NH . . . 4577 1 9 H(CCO)NH . . . 4577 1 10 HCCH-TOCSY . . . 4577 1 11 '13C HSQC' . . . 4577 1 12 3D_15N-separated_NOESY . . . 4577 1 13 3D_13C-separated_NOESY . . . 4577 1 14 4D_13C-separated_NOESY . . . 4577 1 15 HNHA . . . 4577 1 16 'IPAP 15N HSQC' . . . 4577 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 MET HA H 1 4.20 0.03 . 1 . . . . . . . . 4577 1 2 . 1 1 1 1 MET HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4577 1 3 . 1 1 1 1 MET HG3 H 1 2.63 0.03 . 2 . . . . . . . . 4577 1 4 . 1 1 1 1 MET HE1 H 1 2.14 0.03 . 1 . . . . . . . . 4577 1 5 . 1 1 1 1 MET HE2 H 1 2.14 0.03 . 1 . . . . . . . . 4577 1 6 . 1 1 1 1 MET HE3 H 1 2.14 0.03 . 1 . . . . . . . . 4577 1 7 . 1 1 1 1 MET C C 13 172.15 0.50 . 1 . . . . . . . . 4577 1 8 . 1 1 1 1 MET CA C 13 55.17 0.50 . 1 . . . . . . . . 4577 1 9 . 1 1 1 1 MET CB C 13 33.19 0.50 . 1 . . . . . . . . 4577 1 10 . 1 1 1 1 MET CG C 13 30.99 0.50 . 1 . . . . . . . . 4577 1 11 . 1 1 1 1 MET CE C 13 17.10 0.50 . 1 . . . . . . . . 4577 1 12 . 1 1 2 2 LYS HA H 1 4.49 0.03 . 1 . . . . . . . . 4577 1 13 . 1 1 2 2 LYS HB3 H 1 1.90 0.03 . 2 . . . . . . . . 4577 1 14 . 1 1 2 2 LYS HB2 H 1 1.81 0.03 . 2 . . . . . . . . 4577 1 15 . 1 1 2 2 LYS HG3 H 1 1.50 0.03 . 2 . . . . . . . . 4577 1 16 . 1 1 2 2 LYS HD3 H 1 1.77 0.03 . 2 . . . . . . . . 4577 1 17 . 1 1 2 2 LYS HE3 H 1 3.06 0.03 . 2 . . . . . . . . 4577 1 18 . 1 1 2 2 LYS C C 13 176.25 0.50 . 1 . . . . . . . . 4577 1 19 . 1 1 2 2 LYS CA C 13 56.44 0.50 . 1 . . . . . . . . 4577 1 20 . 1 1 2 2 LYS CB C 13 33.42 0.50 . 1 . . . . . . . . 4577 1 21 . 1 1 2 2 LYS CG C 13 24.80 0.50 . 1 . . . . . . . . 4577 1 22 . 1 1 2 2 LYS CD C 13 29.38 0.50 . 1 . . . . . . . . 4577 1 23 . 1 1 2 2 LYS CE C 13 42.43 0.50 . 1 . . . . . . . . 4577 1 24 . 1 1 3 3 LEU H H 1 8.43 0.03 . 1 . . . . . . . . 4577 1 25 . 1 1 3 3 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 4577 1 26 . 1 1 3 3 LEU HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4577 1 27 . 1 1 3 3 LEU HB3 H 1 1.63 0.03 . 1 . . . . . . . . 4577 1 28 . 1 1 3 3 LEU HG H 1 1.74 0.03 . 1 . . . . . . . . 4577 1 29 . 1 1 3 3 LEU HD11 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 30 . 1 1 3 3 LEU HD12 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 31 . 1 1 3 3 LEU HD13 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 32 . 1 1 3 3 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 33 . 1 1 3 3 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 34 . 1 1 3 3 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 35 . 1 1 3 3 LEU C C 13 177.66 0.50 . 1 . . . . . . . . 4577 1 36 . 1 1 3 3 LEU CA C 13 55.66 0.50 . 1 . . . . . . . . 4577 1 37 . 1 1 3 3 LEU CB C 13 43.04 0.50 . 1 . . . . . . . . 4577 1 38 . 1 1 3 3 LEU CG C 13 27.37 0.50 . 1 . . . . . . . . 4577 1 39 . 1 1 3 3 LEU CD1 C 13 25.12 0.50 . 1 . . . . . . . . 4577 1 40 . 1 1 3 3 LEU CD2 C 13 23.97 0.50 . 1 . . . . . . . . 4577 1 41 . 1 1 3 3 LEU N N 15 124.83 0.25 . 1 . . . . . . . . 4577 1 42 . 1 1 4 4 SER H H 1 8.34 0.03 . 1 . . . . . . . . 4577 1 43 . 1 1 4 4 SER HA H 1 4.48 0.03 . 1 . . . . . . . . 4577 1 44 . 1 1 4 4 SER HB3 H 1 4.19 0.03 . 2 . . . . . . . . 4577 1 45 . 1 1 4 4 SER HB2 H 1 4.02 0.03 . 2 . . . . . . . . 4577 1 46 . 1 1 4 4 SER C C 13 174.96 0.50 . 1 . . . . . . . . 4577 1 47 . 1 1 4 4 SER CA C 13 58.28 0.50 . 1 . . . . . . . . 4577 1 48 . 1 1 4 4 SER CB C 13 64.39 0.50 . 1 . . . . . . . . 4577 1 49 . 1 1 4 4 SER N N 15 116.00 0.25 . 1 . . . . . . . . 4577 1 50 . 1 1 5 5 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 4577 1 51 . 1 1 5 5 GLU HA H 1 4.22 0.03 . 1 . . . . . . . . 4577 1 52 . 1 1 5 5 GLU HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4577 1 53 . 1 1 5 5 GLU HG3 H 1 2.37 0.03 . 2 . . . . . . . . 4577 1 54 . 1 1 5 5 GLU C C 13 177.69 0.50 . 1 . . . . . . . . 4577 1 55 . 1 1 5 5 GLU CA C 13 58.85 0.50 . 1 . . . . . . . . 4577 1 56 . 1 1 5 5 GLU CB C 13 29.72 0.50 . 1 . . . . . . . . 4577 1 57 . 1 1 5 5 GLU CG C 13 36.52 0.50 . 1 . . . . . . . . 4577 1 58 . 1 1 5 5 GLU N N 15 122.15 0.25 . 1 . . . . . . . . 4577 1 59 . 1 1 6 6 TYR H H 1 8.26 0.03 . 1 . . . . . . . . 4577 1 60 . 1 1 6 6 TYR HA H 1 4.33 0.03 . 1 . . . . . . . . 4577 1 61 . 1 1 6 6 TYR HB3 H 1 3.18 0.03 . 2 . . . . . . . . 4577 1 62 . 1 1 6 6 TYR HB2 H 1 3.00 0.03 . 2 . . . . . . . . 4577 1 63 . 1 1 6 6 TYR HD1 H 1 7.12 0.03 . 2 . . . . . . . . 4577 1 64 . 1 1 6 6 TYR HE1 H 1 6.83 0.03 . 2 . . . . . . . . 4577 1 65 . 1 1 6 6 TYR C C 13 177.41 0.50 . 1 . . . . . . . . 4577 1 66 . 1 1 6 6 TYR CA C 13 60.60 0.50 . 1 . . . . . . . . 4577 1 67 . 1 1 6 6 TYR CB C 13 38.62 0.50 . 1 . . . . . . . . 4577 1 68 . 1 1 6 6 TYR CD1 C 13 133.05 0.50 . 2 . . . . . . . . 4577 1 69 . 1 1 6 6 TYR CE1 C 13 118.28 0.50 . 2 . . . . . . . . 4577 1 70 . 1 1 6 6 TYR N N 15 120.04 0.25 . 1 . . . . . . . . 4577 1 71 . 1 1 7 7 GLY H H 1 8.37 0.03 . 1 . . . . . . . . 4577 1 72 . 1 1 7 7 GLY HA3 H 1 3.98 0.03 . 2 . . . . . . . . 4577 1 73 . 1 1 7 7 GLY HA2 H 1 3.78 0.03 . 2 . . . . . . . . 4577 1 74 . 1 1 7 7 GLY C C 13 176.69 0.50 . 1 . . . . . . . . 4577 1 75 . 1 1 7 7 GLY CA C 13 47.28 0.50 . 1 . . . . . . . . 4577 1 76 . 1 1 7 7 GLY N N 15 106.74 0.25 . 1 . . . . . . . . 4577 1 77 . 1 1 8 8 LEU H H 1 8.09 0.03 . 1 . . . . . . . . 4577 1 78 . 1 1 8 8 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . 4577 1 79 . 1 1 8 8 LEU HB3 H 1 1.93 0.03 . 2 . . . . . . . . 4577 1 80 . 1 1 8 8 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 4577 1 81 . 1 1 8 8 LEU HG H 1 1.79 0.03 . 1 . . . . . . . . 4577 1 82 . 1 1 8 8 LEU HD11 H 1 0.98 0.03 . 1 . . . . . . . . 4577 1 83 . 1 1 8 8 LEU HD12 H 1 0.98 0.03 . 1 . . . . . . . . 4577 1 84 . 1 1 8 8 LEU HD13 H 1 0.98 0.03 . 1 . . . . . . . . 4577 1 85 . 1 1 8 8 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4577 1 86 . 1 1 8 8 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4577 1 87 . 1 1 8 8 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4577 1 88 . 1 1 8 8 LEU C C 13 180.00 0.50 . 1 . . . . . . . . 4577 1 89 . 1 1 8 8 LEU CA C 13 57.95 0.50 . 1 . . . . . . . . 4577 1 90 . 1 1 8 8 LEU CB C 13 42.30 0.50 . 1 . . . . . . . . 4577 1 91 . 1 1 8 8 LEU CG C 13 27.52 0.50 . 1 . . . . . . . . 4577 1 92 . 1 1 8 8 LEU CD1 C 13 25.26 0.50 . 1 . . . . . . . . 4577 1 93 . 1 1 8 8 LEU CD2 C 13 24.02 0.50 . 1 . . . . . . . . 4577 1 94 . 1 1 8 8 LEU N N 15 122.26 0.25 . 1 . . . . . . . . 4577 1 95 . 1 1 9 9 GLN H H 1 8.14 0.03 . 1 . . . . . . . . 4577 1 96 . 1 1 9 9 GLN HA H 1 3.87 0.03 . 1 . . . . . . . . 4577 1 97 . 1 1 9 9 GLN HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4577 1 98 . 1 1 9 9 GLN HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4577 1 99 . 1 1 9 9 GLN HG3 H 1 2.67 0.03 . 2 . . . . . . . . 4577 1 100 . 1 1 9 9 GLN HE21 H 1 7.27 0.03 . 2 . . . . . . . . 4577 1 101 . 1 1 9 9 GLN HE22 H 1 6.59 0.03 . 2 . . . . . . . . 4577 1 102 . 1 1 9 9 GLN C C 13 177.57 0.50 . 1 . . . . . . . . 4577 1 103 . 1 1 9 9 GLN CA C 13 59.44 0.50 . 1 . . . . . . . . 4577 1 104 . 1 1 9 9 GLN CB C 13 28.38 0.50 . 1 . . . . . . . . 4577 1 105 . 1 1 9 9 GLN CG C 13 33.20 0.50 . 1 . . . . . . . . 4577 1 106 . 1 1 9 9 GLN N N 15 120.30 0.25 . 1 . . . . . . . . 4577 1 107 . 1 1 9 9 GLN NE2 N 15 108.12 0.25 . 1 . . . . . . . . 4577 1 108 . 1 1 10 10 LEU H H 1 8.22 0.03 . 1 . . . . . . . . 4577 1 109 . 1 1 10 10 LEU HA H 1 3.28 0.03 . 1 . . . . . . . . 4577 1 110 . 1 1 10 10 LEU HB3 H 1 1.68 0.03 . 2 . . . . . . . . 4577 1 111 . 1 1 10 10 LEU HB2 H 1 1.38 0.03 . 2 . . . . . . . . 4577 1 112 . 1 1 10 10 LEU HG H 1 1.44 0.03 . 1 . . . . . . . . 4577 1 113 . 1 1 10 10 LEU HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 114 . 1 1 10 10 LEU HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 115 . 1 1 10 10 LEU HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 116 . 1 1 10 10 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 117 . 1 1 10 10 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 118 . 1 1 10 10 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 119 . 1 1 10 10 LEU C C 13 179.04 0.50 . 1 . . . . . . . . 4577 1 120 . 1 1 10 10 LEU CA C 13 57.81 0.50 . 1 . . . . . . . . 4577 1 121 . 1 1 10 10 LEU CB C 13 41.51 0.50 . 1 . . . . . . . . 4577 1 122 . 1 1 10 10 LEU CG C 13 27.07 0.50 . 1 . . . . . . . . 4577 1 123 . 1 1 10 10 LEU CD1 C 13 23.93 0.50 . 1 . . . . . . . . 4577 1 124 . 1 1 10 10 LEU CD2 C 13 25.28 0.50 . 1 . . . . . . . . 4577 1 125 . 1 1 10 10 LEU N N 15 119.23 0.25 . 1 . . . . . . . . 4577 1 126 . 1 1 11 11 GLN H H 1 8.02 0.03 . 1 . . . . . . . . 4577 1 127 . 1 1 11 11 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 4577 1 128 . 1 1 11 11 GLN HB3 H 1 2.20 0.03 . 2 . . . . . . . . 4577 1 129 . 1 1 11 11 GLN HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4577 1 130 . 1 1 11 11 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 4577 1 131 . 1 1 11 11 GLN HE21 H 1 7.56 0.03 . 2 . . . . . . . . 4577 1 132 . 1 1 11 11 GLN HE22 H 1 6.80 0.03 . 2 . . . . . . . . 4577 1 133 . 1 1 11 11 GLN C C 13 178.68 0.50 . 1 . . . . . . . . 4577 1 134 . 1 1 11 11 GLN CA C 13 59.01 0.50 . 1 . . . . . . . . 4577 1 135 . 1 1 11 11 GLN CB C 13 29.12 0.50 . 1 . . . . . . . . 4577 1 136 . 1 1 11 11 GLN CG C 13 34.75 0.50 . 1 . . . . . . . . 4577 1 137 . 1 1 11 11 GLN CD C 13 180.19 0.50 . 1 . . . . . . . . 4577 1 138 . 1 1 11 11 GLN N N 15 116.95 0.25 . 1 . . . . . . . . 4577 1 139 . 1 1 11 11 GLN NE2 N 15 111.01 0.25 . 1 . . . . . . . . 4577 1 140 . 1 1 12 12 GLU H H 1 7.89 0.03 . 1 . . . . . . . . 4577 1 141 . 1 1 12 12 GLU HA H 1 4.13 0.03 . 1 . . . . . . . . 4577 1 142 . 1 1 12 12 GLU HB3 H 1 2.12 0.03 . 2 . . . . . . . . 4577 1 143 . 1 1 12 12 GLU HG3 H 1 2.39 0.03 . 2 . . . . . . . . 4577 1 144 . 1 1 12 12 GLU C C 13 178.64 0.50 . 1 . . . . . . . . 4577 1 145 . 1 1 12 12 GLU CA C 13 59.50 0.50 . 1 . . . . . . . . 4577 1 146 . 1 1 12 12 GLU CB C 13 29.90 0.50 . 1 . . . . . . . . 4577 1 147 . 1 1 12 12 GLU CG C 13 35.70 0.50 . 1 . . . . . . . . 4577 1 148 . 1 1 12 12 GLU N N 15 121.84 0.25 . 1 . . . . . . . . 4577 1 149 . 1 1 13 13 LYS H H 1 7.88 0.03 . 1 . . . . . . . . 4577 1 150 . 1 1 13 13 LYS HA H 1 3.77 0.03 . 1 . . . . . . . . 4577 1 151 . 1 1 13 13 LYS HB3 H 1 1.57 0.03 . 2 . . . . . . . . 4577 1 152 . 1 1 13 13 LYS HB2 H 1 1.32 0.03 . 2 . . . . . . . . 4577 1 153 . 1 1 13 13 LYS HD3 H 1 1.41 0.03 . 2 . . . . . . . . 4577 1 154 . 1 1 13 13 LYS HD2 H 1 1.18 0.03 . 2 . . . . . . . . 4577 1 155 . 1 1 13 13 LYS HE3 H 1 2.55 0.03 . 2 . . . . . . . . 4577 1 156 . 1 1 13 13 LYS HE2 H 1 2.48 0.03 . 2 . . . . . . . . 4577 1 157 . 1 1 13 13 LYS C C 13 178.27 0.50 . 1 . . . . . . . . 4577 1 158 . 1 1 13 13 LYS CA C 13 60.87 0.50 . 1 . . . . . . . . 4577 1 159 . 1 1 13 13 LYS CB C 13 30.54 0.50 . 1 . . . . . . . . 4577 1 160 . 1 1 13 13 LYS CD C 13 29.31 0.50 . 1 . . . . . . . . 4577 1 161 . 1 1 13 13 LYS CE C 13 41.66 0.50 . 1 . . . . . . . . 4577 1 162 . 1 1 13 13 LYS N N 15 118.67 0.25 . 1 . . . . . . . . 4577 1 163 . 1 1 14 14 GLN H H 1 8.33 0.03 . 1 . . . . . . . . 4577 1 164 . 1 1 14 14 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 4577 1 165 . 1 1 14 14 GLN HB2 H 1 2.12 0.03 . 1 . . . . . . . . 4577 1 166 . 1 1 14 14 GLN HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4577 1 167 . 1 1 14 14 GLN HG3 H 1 2.46 0.03 . 2 . . . . . . . . 4577 1 168 . 1 1 14 14 GLN HG2 H 1 2.25 0.03 . 2 . . . . . . . . 4577 1 169 . 1 1 14 14 GLN HE21 H 1 7.43 0.03 . 2 . . . . . . . . 4577 1 170 . 1 1 14 14 GLN HE22 H 1 6.71 0.03 . 2 . . . . . . . . 4577 1 171 . 1 1 14 14 GLN C C 13 178.61 0.50 . 1 . . . . . . . . 4577 1 172 . 1 1 14 14 GLN CA C 13 58.30 0.50 . 1 . . . . . . . . 4577 1 173 . 1 1 14 14 GLN CB C 13 29.02 0.50 . 1 . . . . . . . . 4577 1 174 . 1 1 14 14 GLN CG C 13 34.04 0.50 . 1 . . . . . . . . 4577 1 175 . 1 1 14 14 GLN CD C 13 180.49 0.50 . 1 . . . . . . . . 4577 1 176 . 1 1 14 14 GLN N N 15 117.17 0.25 . 1 . . . . . . . . 4577 1 177 . 1 1 14 14 GLN NE2 N 15 111.48 0.25 . 1 . . . . . . . . 4577 1 178 . 1 1 15 15 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 4577 1 179 . 1 1 15 15 LYS HA H 1 4.07 0.03 . 1 . . . . . . . . 4577 1 180 . 1 1 15 15 LYS HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4577 1 181 . 1 1 15 15 LYS HB2 H 1 1.92 0.03 . 2 . . . . . . . . 4577 1 182 . 1 1 15 15 LYS HG3 H 1 1.70 0.03 . 2 . . . . . . . . 4577 1 183 . 1 1 15 15 LYS HG2 H 1 1.39 0.03 . 2 . . . . . . . . 4577 1 184 . 1 1 15 15 LYS HD3 H 1 1.76 0.03 . 2 . . . . . . . . 4577 1 185 . 1 1 15 15 LYS HD2 H 1 1.71 0.03 . 2 . . . . . . . . 4577 1 186 . 1 1 15 15 LYS HE3 H 1 2.89 0.03 . 2 . . . . . . . . 4577 1 187 . 1 1 15 15 LYS C C 13 180.02 0.50 . 1 . . . . . . . . 4577 1 188 . 1 1 15 15 LYS CA C 13 60.22 0.50 . 1 . . . . . . . . 4577 1 189 . 1 1 15 15 LYS CB C 13 33.04 0.50 . 1 . . . . . . . . 4577 1 190 . 1 1 15 15 LYS CG C 13 24.89 0.50 . 1 . . . . . . . . 4577 1 191 . 1 1 15 15 LYS CD C 13 30.05 0.50 . 1 . . . . . . . . 4577 1 192 . 1 1 15 15 LYS CE C 13 41.85 0.50 . 1 . . . . . . . . 4577 1 193 . 1 1 15 15 LYS N N 15 120.31 0.25 . 1 . . . . . . . . 4577 1 194 . 1 1 16 16 LEU H H 1 7.99 0.03 . 1 . . . . . . . . 4577 1 195 . 1 1 16 16 LEU HA H 1 4.43 0.03 . 1 . . . . . . . . 4577 1 196 . 1 1 16 16 LEU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 4577 1 197 . 1 1 16 16 LEU HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4577 1 198 . 1 1 16 16 LEU HG H 1 1.95 0.03 . 1 . . . . . . . . 4577 1 199 . 1 1 16 16 LEU HD11 H 1 1.37 0.03 . 1 . . . . . . . . 4577 1 200 . 1 1 16 16 LEU HD12 H 1 1.37 0.03 . 1 . . . . . . . . 4577 1 201 . 1 1 16 16 LEU HD13 H 1 1.37 0.03 . 1 . . . . . . . . 4577 1 202 . 1 1 16 16 LEU HD21 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 203 . 1 1 16 16 LEU HD22 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 204 . 1 1 16 16 LEU HD23 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 205 . 1 1 16 16 LEU C C 13 178.07 0.50 . 1 . . . . . . . . 4577 1 206 . 1 1 16 16 LEU CA C 13 57.87 0.50 . 1 . . . . . . . . 4577 1 207 . 1 1 16 16 LEU CB C 13 42.70 0.50 . 1 . . . . . . . . 4577 1 208 . 1 1 16 16 LEU CG C 13 27.93 0.50 . 1 . . . . . . . . 4577 1 209 . 1 1 16 16 LEU CD1 C 13 24.85 0.50 . 1 . . . . . . . . 4577 1 210 . 1 1 16 16 LEU CD2 C 13 27.26 0.50 . 1 . . . . . . . . 4577 1 211 . 1 1 16 16 LEU N N 15 120.16 0.25 . 1 . . . . . . . . 4577 1 212 . 1 1 17 17 ARG H H 1 8.35 0.03 . 1 . . . . . . . . 4577 1 213 . 1 1 17 17 ARG HA H 1 3.56 0.03 . 1 . . . . . . . . 4577 1 214 . 1 1 17 17 ARG HB3 H 1 1.46 0.03 . 2 . . . . . . . . 4577 1 215 . 1 1 17 17 ARG HB2 H 1 0.88 0.03 . 2 . . . . . . . . 4577 1 216 . 1 1 17 17 ARG HG3 H 1 1.18 0.03 . 2 . . . . . . . . 4577 1 217 . 1 1 17 17 ARG HG2 H 1 0.69 0.03 . 2 . . . . . . . . 4577 1 218 . 1 1 17 17 ARG HD3 H 1 2.86 0.03 . 2 . . . . . . . . 4577 1 219 . 1 1 17 17 ARG HD2 H 1 2.54 0.03 . 2 . . . . . . . . 4577 1 220 . 1 1 17 17 ARG C C 13 179.48 0.50 . 1 . . . . . . . . 4577 1 221 . 1 1 17 17 ARG CA C 13 61.03 0.50 . 1 . . . . . . . . 4577 1 222 . 1 1 17 17 ARG CB C 13 29.84 0.50 . 1 . . . . . . . . 4577 1 223 . 1 1 17 17 ARG CG C 13 28.83 0.50 . 1 . . . . . . . . 4577 1 224 . 1 1 17 17 ARG CD C 13 43.92 0.50 . 1 . . . . . . . . 4577 1 225 . 1 1 17 17 ARG N N 15 118.94 0.25 . 1 . . . . . . . . 4577 1 226 . 1 1 18 18 HIS H H 1 8.49 0.03 . 1 . . . . . . . . 4577 1 227 . 1 1 18 18 HIS HA H 1 4.44 0.03 . 1 . . . . . . . . 4577 1 228 . 1 1 18 18 HIS HB3 H 1 3.31 0.03 . 2 . . . . . . . . 4577 1 229 . 1 1 18 18 HIS HB2 H 1 3.25 0.03 . 2 . . . . . . . . 4577 1 230 . 1 1 18 18 HIS HD2 H 1 7.26 0.03 . 1 . . . . . . . . 4577 1 231 . 1 1 18 18 HIS HE1 H 1 7.87 0.03 . 1 . . . . . . . . 4577 1 232 . 1 1 18 18 HIS C C 13 177.40 0.50 . 1 . . . . . . . . 4577 1 233 . 1 1 18 18 HIS CA C 13 58.18 0.50 . 1 . . . . . . . . 4577 1 234 . 1 1 18 18 HIS CB C 13 28.89 0.50 . 1 . . . . . . . . 4577 1 235 . 1 1 18 18 HIS CD2 C 13 119.58 0.50 . 1 . . . . . . . . 4577 1 236 . 1 1 18 18 HIS CE1 C 13 139.33 0.50 . 1 . . . . . . . . 4577 1 237 . 1 1 18 18 HIS N N 15 115.56 0.25 . 1 . . . . . . . . 4577 1 238 . 1 1 19 19 MET H H 1 8.05 0.03 . 1 . . . . . . . . 4577 1 239 . 1 1 19 19 MET HA H 1 3.95 0.03 . 1 . . . . . . . . 4577 1 240 . 1 1 19 19 MET HB3 H 1 2.22 0.03 . 2 . . . . . . . . 4577 1 241 . 1 1 19 19 MET HG3 H 1 2.37 0.03 . 2 . . . . . . . . 4577 1 242 . 1 1 19 19 MET HG2 H 1 1.66 0.03 . 2 . . . . . . . . 4577 1 243 . 1 1 19 19 MET HE1 H 1 2.05 0.03 . 1 . . . . . . . . 4577 1 244 . 1 1 19 19 MET HE2 H 1 2.05 0.03 . 1 . . . . . . . . 4577 1 245 . 1 1 19 19 MET HE3 H 1 2.05 0.03 . 1 . . . . . . . . 4577 1 246 . 1 1 19 19 MET C C 13 176.78 0.50 . 1 . . . . . . . . 4577 1 247 . 1 1 19 19 MET CA C 13 59.30 0.50 . 1 . . . . . . . . 4577 1 248 . 1 1 19 19 MET CB C 13 33.24 0.50 . 1 . . . . . . . . 4577 1 249 . 1 1 19 19 MET CG C 13 31.18 0.50 . 1 . . . . . . . . 4577 1 250 . 1 1 19 19 MET CE C 13 17.00 0.50 . 1 . . . . . . . . 4577 1 251 . 1 1 19 19 MET N N 15 119.98 0.25 . 1 . . . . . . . . 4577 1 252 . 1 1 20 20 TYR H H 1 7.22 0.03 . 1 . . . . . . . . 4577 1 253 . 1 1 20 20 TYR HA H 1 4.15 0.03 . 1 . . . . . . . . 4577 1 254 . 1 1 20 20 TYR HB3 H 1 3.17 0.03 . 2 . . . . . . . . 4577 1 255 . 1 1 20 20 TYR HB2 H 1 2.50 0.03 . 2 . . . . . . . . 4577 1 256 . 1 1 20 20 TYR HD1 H 1 7.25 0.03 . 2 . . . . . . . . 4577 1 257 . 1 1 20 20 TYR HE1 H 1 6.67 0.03 . 2 . . . . . . . . 4577 1 258 . 1 1 20 20 TYR C C 13 176.10 0.50 . 1 . . . . . . . . 4577 1 259 . 1 1 20 20 TYR CA C 13 60.36 0.50 . 1 . . . . . . . . 4577 1 260 . 1 1 20 20 TYR CB C 13 40.15 0.50 . 1 . . . . . . . . 4577 1 261 . 1 1 20 20 TYR CD1 C 13 132.90 0.50 . 2 . . . . . . . . 4577 1 262 . 1 1 20 20 TYR CE1 C 13 117.77 0.50 . 2 . . . . . . . . 4577 1 263 . 1 1 20 20 TYR N N 15 110.98 0.25 . 1 . . . . . . . . 4577 1 264 . 1 1 21 21 GLY H H 1 7.95 0.03 . 1 . . . . . . . . 4577 1 265 . 1 1 21 21 GLY HA3 H 1 3.95 0.03 . 2 . . . . . . . . 4577 1 266 . 1 1 21 21 GLY HA2 H 1 3.80 0.03 . 2 . . . . . . . . 4577 1 267 . 1 1 21 21 GLY C C 13 174.21 0.50 . 1 . . . . . . . . 4577 1 268 . 1 1 21 21 GLY CA C 13 47.37 0.50 . 1 . . . . . . . . 4577 1 269 . 1 1 21 21 GLY N N 15 111.02 0.25 . 1 . . . . . . . . 4577 1 270 . 1 1 22 22 VAL H H 1 7.23 0.03 . 1 . . . . . . . . 4577 1 271 . 1 1 22 22 VAL HA H 1 4.55 0.03 . 1 . . . . . . . . 4577 1 272 . 1 1 22 22 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 273 . 1 1 22 22 VAL HG11 H 1 1.33 0.03 . 1 . . . . . . . . 4577 1 274 . 1 1 22 22 VAL HG12 H 1 1.33 0.03 . 1 . . . . . . . . 4577 1 275 . 1 1 22 22 VAL HG13 H 1 1.33 0.03 . 1 . . . . . . . . 4577 1 276 . 1 1 22 22 VAL HG21 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 277 . 1 1 22 22 VAL HG22 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 278 . 1 1 22 22 VAL HG23 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 279 . 1 1 22 22 VAL C C 13 175.61 0.50 . 1 . . . . . . . . 4577 1 280 . 1 1 22 22 VAL CA C 13 60.40 0.50 . 1 . . . . . . . . 4577 1 281 . 1 1 22 22 VAL CB C 13 34.79 0.50 . 1 . . . . . . . . 4577 1 282 . 1 1 22 22 VAL CG1 C 13 22.65 0.50 . 1 . . . . . . . . 4577 1 283 . 1 1 22 22 VAL CG2 C 13 22.13 0.50 . 1 . . . . . . . . 4577 1 284 . 1 1 22 22 VAL N N 15 115.87 0.25 . 1 . . . . . . . . 4577 1 285 . 1 1 23 23 ASN H H 1 8.54 0.03 . 1 . . . . . . . . 4577 1 286 . 1 1 23 23 ASN HA H 1 4.67 0.03 . 1 . . . . . . . . 4577 1 287 . 1 1 23 23 ASN HB3 H 1 3.31 0.03 . 2 . . . . . . . . 4577 1 288 . 1 1 23 23 ASN HB2 H 1 3.01 0.03 . 2 . . . . . . . . 4577 1 289 . 1 1 23 23 ASN HD21 H 1 7.65 0.03 . 2 . . . . . . . . 4577 1 290 . 1 1 23 23 ASN HD22 H 1 6.99 0.03 . 2 . . . . . . . . 4577 1 291 . 1 1 23 23 ASN C C 13 175.16 0.50 . 1 . . . . . . . . 4577 1 292 . 1 1 23 23 ASN CA C 13 53.21 0.50 . 1 . . . . . . . . 4577 1 293 . 1 1 23 23 ASN CB C 13 38.79 0.50 . 1 . . . . . . . . 4577 1 294 . 1 1 23 23 ASN CG C 13 175.75 0.50 . 1 . . . . . . . . 4577 1 295 . 1 1 23 23 ASN N N 15 125.01 0.25 . 1 . . . . . . . . 4577 1 296 . 1 1 23 23 ASN ND2 N 15 113.56 0.25 . 1 . . . . . . . . 4577 1 297 . 1 1 24 24 GLU H H 1 8.79 0.03 . 1 . . . . . . . . 4577 1 298 . 1 1 24 24 GLU HA H 1 3.99 0.03 . 1 . . . . . . . . 4577 1 299 . 1 1 24 24 GLU HB3 H 1 2.18 0.03 . 2 . . . . . . . . 4577 1 300 . 1 1 24 24 GLU HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4577 1 301 . 1 1 24 24 GLU HG3 H 1 2.51 0.03 . 2 . . . . . . . . 4577 1 302 . 1 1 24 24 GLU HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 303 . 1 1 24 24 GLU C C 13 178.25 0.50 . 1 . . . . . . . . 4577 1 304 . 1 1 24 24 GLU CA C 13 60.39 0.50 . 1 . . . . . . . . 4577 1 305 . 1 1 24 24 GLU CB C 13 29.56 0.50 . 1 . . . . . . . . 4577 1 306 . 1 1 24 24 GLU CG C 13 34.82 0.50 . 1 . . . . . . . . 4577 1 307 . 1 1 24 24 GLU N N 15 120.87 0.25 . 1 . . . . . . . . 4577 1 308 . 1 1 25 25 ARG H H 1 8.35 0.03 . 1 . . . . . . . . 4577 1 309 . 1 1 25 25 ARG HA H 1 4.17 0.03 . 1 . . . . . . . . 4577 1 310 . 1 1 25 25 ARG HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4577 1 311 . 1 1 25 25 ARG HB2 H 1 1.96 0.03 . 2 . . . . . . . . 4577 1 312 . 1 1 25 25 ARG HG3 H 1 1.84 0.03 . 2 . . . . . . . . 4577 1 313 . 1 1 25 25 ARG HG2 H 1 1.71 0.03 . 2 . . . . . . . . 4577 1 314 . 1 1 25 25 ARG HD3 H 1 3.33 0.03 . 2 . . . . . . . . 4577 1 315 . 1 1 25 25 ARG C C 13 179.73 0.50 . 1 . . . . . . . . 4577 1 316 . 1 1 25 25 ARG CA C 13 59.90 0.50 . 1 . . . . . . . . 4577 1 317 . 1 1 25 25 ARG CB C 13 29.84 0.50 . 1 . . . . . . . . 4577 1 318 . 1 1 25 25 ARG CG C 13 27.63 0.50 . 1 . . . . . . . . 4577 1 319 . 1 1 25 25 ARG CD C 13 43.56 0.50 . 1 . . . . . . . . 4577 1 320 . 1 1 25 25 ARG N N 15 118.63 0.25 . 1 . . . . . . . . 4577 1 321 . 1 1 26 26 GLN H H 1 8.46 0.03 . 1 . . . . . . . . 4577 1 322 . 1 1 26 26 GLN HA H 1 4.16 0.03 . 1 . . . . . . . . 4577 1 323 . 1 1 26 26 GLN HB3 H 1 2.32 0.03 . 2 . . . . . . . . 4577 1 324 . 1 1 26 26 GLN HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4577 1 325 . 1 1 26 26 GLN HG3 H 1 2.70 0.03 . 2 . . . . . . . . 4577 1 326 . 1 1 26 26 GLN HG2 H 1 2.59 0.03 . 2 . . . . . . . . 4577 1 327 . 1 1 26 26 GLN HE21 H 1 7.50 0.03 . 2 . . . . . . . . 4577 1 328 . 1 1 26 26 GLN HE22 H 1 7.07 0.03 . 2 . . . . . . . . 4577 1 329 . 1 1 26 26 GLN C C 13 178.49 0.50 . 1 . . . . . . . . 4577 1 330 . 1 1 26 26 GLN CA C 13 58.05 0.50 . 1 . . . . . . . . 4577 1 331 . 1 1 26 26 GLN CB C 13 28.74 0.50 . 1 . . . . . . . . 4577 1 332 . 1 1 26 26 GLN CG C 13 34.19 0.50 . 1 . . . . . . . . 4577 1 333 . 1 1 26 26 GLN CD C 13 179.79 0.50 . 1 . . . . . . . . 4577 1 334 . 1 1 26 26 GLN N N 15 119.12 0.25 . 1 . . . . . . . . 4577 1 335 . 1 1 26 26 GLN NE2 N 15 113.29 0.25 . 1 . . . . . . . . 4577 1 336 . 1 1 27 27 PHE H H 1 8.92 0.03 . 1 . . . . . . . . 4577 1 337 . 1 1 27 27 PHE HA H 1 4.14 0.03 . 1 . . . . . . . . 4577 1 338 . 1 1 27 27 PHE HB3 H 1 3.21 0.03 . 2 . . . . . . . . 4577 1 339 . 1 1 27 27 PHE HB2 H 1 3.43 0.03 . 2 . . . . . . . . 4577 1 340 . 1 1 27 27 PHE HD1 H 1 7.55 0.03 . 2 . . . . . . . . 4577 1 341 . 1 1 27 27 PHE HE1 H 1 7.34 0.03 . 2 . . . . . . . . 4577 1 342 . 1 1 27 27 PHE HZ H 1 7.42 0.03 . 1 . . . . . . . . 4577 1 343 . 1 1 27 27 PHE C C 13 177.05 0.50 . 1 . . . . . . . . 4577 1 344 . 1 1 27 27 PHE CA C 13 63.19 0.50 . 1 . . . . . . . . 4577 1 345 . 1 1 27 27 PHE CB C 13 39.91 0.50 . 1 . . . . . . . . 4577 1 346 . 1 1 27 27 PHE CD1 C 13 132.67 0.50 . 2 . . . . . . . . 4577 1 347 . 1 1 27 27 PHE CE1 C 13 131.78 0.50 . 2 . . . . . . . . 4577 1 348 . 1 1 27 27 PHE CZ C 13 129.80 0.50 . 1 . . . . . . . . 4577 1 349 . 1 1 27 27 PHE N N 15 124.51 0.25 . 1 . . . . . . . . 4577 1 350 . 1 1 28 28 ARG H H 1 8.52 0.03 . 1 . . . . . . . . 4577 1 351 . 1 1 28 28 ARG HA H 1 3.75 0.03 . 1 . . . . . . . . 4577 1 352 . 1 1 28 28 ARG HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4577 1 353 . 1 1 28 28 ARG HG3 H 1 1.68 0.03 . 2 . . . . . . . . 4577 1 354 . 1 1 28 28 ARG HG2 H 1 1.53 0.03 . 2 . . . . . . . . 4577 1 355 . 1 1 28 28 ARG HD3 H 1 3.10 0.03 . 2 . . . . . . . . 4577 1 356 . 1 1 28 28 ARG HD2 H 1 3.05 0.03 . 2 . . . . . . . . 4577 1 357 . 1 1 28 28 ARG C C 13 178.72 0.50 . 1 . . . . . . . . 4577 1 358 . 1 1 28 28 ARG CA C 13 59.08 0.50 . 1 . . . . . . . . 4577 1 359 . 1 1 28 28 ARG CB C 13 30.01 0.50 . 1 . . . . . . . . 4577 1 360 . 1 1 28 28 ARG CG C 13 27.65 0.50 . 1 . . . . . . . . 4577 1 361 . 1 1 28 28 ARG CD C 13 43.20 0.50 . 1 . . . . . . . . 4577 1 362 . 1 1 28 28 ARG N N 15 117.88 0.25 . 1 . . . . . . . . 4577 1 363 . 1 1 29 29 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 4577 1 364 . 1 1 29 29 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4577 1 365 . 1 1 29 29 LYS HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4577 1 366 . 1 1 29 29 LYS HG3 H 1 1.58 0.03 . 2 . . . . . . . . 4577 1 367 . 1 1 29 29 LYS HD3 H 1 1.77 0.03 . 2 . . . . . . . . 4577 1 368 . 1 1 29 29 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 4577 1 369 . 1 1 29 29 LYS HE3 H 1 3.06 0.03 . 2 . . . . . . . . 4577 1 370 . 1 1 29 29 LYS C C 13 179.48 0.50 . 1 . . . . . . . . 4577 1 371 . 1 1 29 29 LYS CA C 13 59.64 0.50 . 1 . . . . . . . . 4577 1 372 . 1 1 29 29 LYS CB C 13 32.43 0.50 . 1 . . . . . . . . 4577 1 373 . 1 1 29 29 LYS CG C 13 24.79 0.50 . 1 . . . . . . . . 4577 1 374 . 1 1 29 29 LYS CD C 13 29.26 0.50 . 1 . . . . . . . . 4577 1 375 . 1 1 29 29 LYS CE C 13 42.08 0.50 . 1 . . . . . . . . 4577 1 376 . 1 1 29 29 LYS N N 15 120.54 0.25 . 1 . . . . . . . . 4577 1 377 . 1 1 30 30 THR H H 1 8.47 0.03 . 1 . . . . . . . . 4577 1 378 . 1 1 30 30 THR HA H 1 4.03 0.03 . 1 . . . . . . . . 4577 1 379 . 1 1 30 30 THR HB H 1 4.50 0.03 . 1 . . . . . . . . 4577 1 380 . 1 1 30 30 THR HG21 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 381 . 1 1 30 30 THR HG22 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 382 . 1 1 30 30 THR HG23 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 383 . 1 1 30 30 THR C C 13 175.47 0.50 . 1 . . . . . . . . 4577 1 384 . 1 1 30 30 THR CA C 13 67.01 0.50 . 1 . . . . . . . . 4577 1 385 . 1 1 30 30 THR CB C 13 68.56 0.50 . 1 . . . . . . . . 4577 1 386 . 1 1 30 30 THR CG2 C 13 22.96 0.50 . 1 . . . . . . . . 4577 1 387 . 1 1 30 30 THR N N 15 117.20 0.25 . 1 . . . . . . . . 4577 1 388 . 1 1 31 31 PHE H H 1 8.18 0.03 . 1 . . . . . . . . 4577 1 389 . 1 1 31 31 PHE HA H 1 3.30 0.03 . 1 . . . . . . . . 4577 1 390 . 1 1 31 31 PHE HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4577 1 391 . 1 1 31 31 PHE HB2 H 1 2.02 0.03 . 2 . . . . . . . . 4577 1 392 . 1 1 31 31 PHE HD1 H 1 6.09 0.03 . 2 . . . . . . . . 4577 1 393 . 1 1 31 31 PHE HE1 H 1 6.85 0.03 . 2 . . . . . . . . 4577 1 394 . 1 1 31 31 PHE HZ H 1 6.86 0.03 . 1 . . . . . . . . 4577 1 395 . 1 1 31 31 PHE C C 13 178.92 0.50 . 1 . . . . . . . . 4577 1 396 . 1 1 31 31 PHE CA C 13 63.06 0.50 . 1 . . . . . . . . 4577 1 397 . 1 1 31 31 PHE CB C 13 37.85 0.50 . 1 . . . . . . . . 4577 1 398 . 1 1 31 31 PHE CD1 C 13 131.25 0.50 . 2 . . . . . . . . 4577 1 399 . 1 1 31 31 PHE CE1 C 13 131.28 0.50 . 2 . . . . . . . . 4577 1 400 . 1 1 31 31 PHE CZ C 13 129.66 0.50 . 1 . . . . . . . . 4577 1 401 . 1 1 31 31 PHE N N 15 124.37 0.25 . 1 . . . . . . . . 4577 1 402 . 1 1 32 32 GLU H H 1 8.46 0.03 . 1 . . . . . . . . 4577 1 403 . 1 1 32 32 GLU HA H 1 3.96 0.03 . 1 . . . . . . . . 4577 1 404 . 1 1 32 32 GLU HB3 H 1 2.23 0.03 . 2 . . . . . . . . 4577 1 405 . 1 1 32 32 GLU HB2 H 1 2.15 0.03 . 2 . . . . . . . . 4577 1 406 . 1 1 32 32 GLU HG3 H 1 2.54 0.03 . 2 . . . . . . . . 4577 1 407 . 1 1 32 32 GLU HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 408 . 1 1 32 32 GLU C C 13 180.45 0.50 . 1 . . . . . . . . 4577 1 409 . 1 1 32 32 GLU CA C 13 59.43 0.50 . 1 . . . . . . . . 4577 1 410 . 1 1 32 32 GLU CB C 13 29.27 0.50 . 1 . . . . . . . . 4577 1 411 . 1 1 32 32 GLU CG C 13 36.34 0.50 . 1 . . . . . . . . 4577 1 412 . 1 1 32 32 GLU N N 15 122.78 0.25 . 1 . . . . . . . . 4577 1 413 . 1 1 33 33 GLU H H 1 8.35 0.03 . 1 . . . . . . . . 4577 1 414 . 1 1 33 33 GLU HA H 1 3.86 0.03 . 1 . . . . . . . . 4577 1 415 . 1 1 33 33 GLU HB2 H 1 2.19 0.03 . 1 . . . . . . . . 4577 1 416 . 1 1 33 33 GLU HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4577 1 417 . 1 1 33 33 GLU HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4577 1 418 . 1 1 33 33 GLU HG2 H 1 2.25 0.03 . 2 . . . . . . . . 4577 1 419 . 1 1 33 33 GLU C C 13 179.97 0.50 . 1 . . . . . . . . 4577 1 420 . 1 1 33 33 GLU CA C 13 59.72 0.50 . 1 . . . . . . . . 4577 1 421 . 1 1 33 33 GLU CB C 13 29.45 0.50 . 1 . . . . . . . . 4577 1 422 . 1 1 33 33 GLU CG C 13 36.53 0.50 . 1 . . . . . . . . 4577 1 423 . 1 1 33 33 GLU N N 15 121.43 0.25 . 1 . . . . . . . . 4577 1 424 . 1 1 34 34 ALA H H 1 8.18 0.03 . 1 . . . . . . . . 4577 1 425 . 1 1 34 34 ALA HA H 1 4.06 0.03 . 1 . . . . . . . . 4577 1 426 . 1 1 34 34 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 4577 1 427 . 1 1 34 34 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 4577 1 428 . 1 1 34 34 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 4577 1 429 . 1 1 34 34 ALA C C 13 178.40 0.50 . 1 . . . . . . . . 4577 1 430 . 1 1 34 34 ALA CA C 13 53.88 0.50 . 1 . . . . . . . . 4577 1 431 . 1 1 34 34 ALA CB C 13 17.63 0.50 . 1 . . . . . . . . 4577 1 432 . 1 1 34 34 ALA N N 15 120.22 0.25 . 1 . . . . . . . . 4577 1 433 . 1 1 35 35 GLY H H 1 7.12 0.03 . 1 . . . . . . . . 4577 1 434 . 1 1 35 35 GLY HA3 H 1 3.03 0.03 . 2 . . . . . . . . 4577 1 435 . 1 1 35 35 GLY HA2 H 1 2.74 0.03 . 2 . . . . . . . . 4577 1 436 . 1 1 35 35 GLY C C 13 173.95 0.50 . 1 . . . . . . . . 4577 1 437 . 1 1 35 35 GLY CA C 13 44.07 0.50 . 1 . . . . . . . . 4577 1 438 . 1 1 35 35 GLY N N 15 103.29 0.25 . 1 . . . . . . . . 4577 1 439 . 1 1 36 36 LYS H H 1 7.02 0.03 . 1 . . . . . . . . 4577 1 440 . 1 1 36 36 LYS HA H 1 4.26 0.03 . 1 . . . . . . . . 4577 1 441 . 1 1 36 36 LYS HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4577 1 442 . 1 1 36 36 LYS HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 443 . 1 1 36 36 LYS HG3 H 1 1.46 0.03 . 2 . . . . . . . . 4577 1 444 . 1 1 36 36 LYS HD3 H 1 1.67 0.03 . 2 . . . . . . . . 4577 1 445 . 1 1 36 36 LYS HE3 H 1 2.94 0.03 . 2 . . . . . . . . 4577 1 446 . 1 1 36 36 LYS C C 13 176.69 0.50 . 1 . . . . . . . . 4577 1 447 . 1 1 36 36 LYS CA C 13 55.87 0.50 . 1 . . . . . . . . 4577 1 448 . 1 1 36 36 LYS CB C 13 32.78 0.50 . 1 . . . . . . . . 4577 1 449 . 1 1 36 36 LYS CG C 13 25.06 0.50 . 1 . . . . . . . . 4577 1 450 . 1 1 36 36 LYS CD C 13 29.12 0.50 . 1 . . . . . . . . 4577 1 451 . 1 1 36 36 LYS CE C 13 42.21 0.50 . 1 . . . . . . . . 4577 1 452 . 1 1 36 36 LYS N N 15 117.28 0.25 . 1 . . . . . . . . 4577 1 453 . 1 1 37 37 MET H H 1 6.86 0.03 . 1 . . . . . . . . 4577 1 454 . 1 1 37 37 MET HA H 1 4.53 0.03 . 1 . . . . . . . . 4577 1 455 . 1 1 37 37 MET HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4577 1 456 . 1 1 37 37 MET HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4577 1 457 . 1 1 37 37 MET HG3 H 1 2.58 0.03 . 2 . . . . . . . . 4577 1 458 . 1 1 37 37 MET HG2 H 1 2.43 0.03 . 2 . . . . . . . . 4577 1 459 . 1 1 37 37 MET HE1 H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 460 . 1 1 37 37 MET HE2 H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 461 . 1 1 37 37 MET HE3 H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 462 . 1 1 37 37 MET C C 13 173.50 0.50 . 1 . . . . . . . . 4577 1 463 . 1 1 37 37 MET CA C 13 53.95 0.50 . 1 . . . . . . . . 4577 1 464 . 1 1 37 37 MET CB C 13 34.23 0.50 . 1 . . . . . . . . 4577 1 465 . 1 1 37 37 MET CG C 13 31.16 0.50 . 1 . . . . . . . . 4577 1 466 . 1 1 37 37 MET CE C 13 16.10 0.50 . 1 . . . . . . . . 4577 1 467 . 1 1 37 37 MET N N 15 119.10 0.25 . 1 . . . . . . . . 4577 1 468 . 1 1 38 38 PRO HA H 1 4.44 0.03 . 1 . . . . . . . . 4577 1 469 . 1 1 38 38 PRO HB3 H 1 2.35 0.03 . 2 . . . . . . . . 4577 1 470 . 1 1 38 38 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 4577 1 471 . 1 1 38 38 PRO HG3 H 1 2.08 0.03 . 2 . . . . . . . . 4577 1 472 . 1 1 38 38 PRO HG2 H 1 2.05 0.03 . 2 . . . . . . . . 4577 1 473 . 1 1 38 38 PRO HD3 H 1 3.83 0.03 . 2 . . . . . . . . 4577 1 474 . 1 1 38 38 PRO HD2 H 1 3.61 0.03 . 2 . . . . . . . . 4577 1 475 . 1 1 38 38 PRO CA C 13 63.18 0.50 . 1 . . . . . . . . 4577 1 476 . 1 1 38 38 PRO CB C 13 32.15 0.50 . 1 . . . . . . . . 4577 1 477 . 1 1 38 38 PRO CG C 13 27.62 0.50 . 1 . . . . . . . . 4577 1 478 . 1 1 38 38 PRO CD C 13 50.42 0.50 . 1 . . . . . . . . 4577 1 479 . 1 1 39 39 GLY H H 1 8.51 0.03 . 1 . . . . . . . . 4577 1 480 . 1 1 39 39 GLY HA3 H 1 4.57 0.03 . 2 . . . . . . . . 4577 1 481 . 1 1 39 39 GLY HA2 H 1 3.72 0.03 . 2 . . . . . . . . 4577 1 482 . 1 1 39 39 GLY C C 13 174.38 0.50 . 1 . . . . . . . . 4577 1 483 . 1 1 39 39 GLY CA C 13 44.07 0.50 . 1 . . . . . . . . 4577 1 484 . 1 1 39 39 GLY N N 15 110.43 0.25 . 1 . . . . . . . . 4577 1 485 . 1 1 40 40 LYS H H 1 8.73 0.03 . 1 . . . . . . . . 4577 1 486 . 1 1 40 40 LYS HA H 1 4.42 0.03 . 1 . . . . . . . . 4577 1 487 . 1 1 40 40 LYS HB2 H 1 1.78 0.03 . 1 . . . . . . . . 4577 1 488 . 1 1 40 40 LYS HB3 H 1 2.14 0.03 . 1 . . . . . . . . 4577 1 489 . 1 1 40 40 LYS HG3 H 1 1.56 0.03 . 2 . . . . . . . . 4577 1 490 . 1 1 40 40 LYS HD3 H 1 1.78 0.03 . 2 . . . . . . . . 4577 1 491 . 1 1 40 40 LYS HE3 H 1 3.11 0.03 . 2 . . . . . . . . 4577 1 492 . 1 1 40 40 LYS C C 13 177.01 0.50 . 1 . . . . . . . . 4577 1 493 . 1 1 40 40 LYS CA C 13 56.28 0.50 . 1 . . . . . . . . 4577 1 494 . 1 1 40 40 LYS CB C 13 33.25 0.50 . 1 . . . . . . . . 4577 1 495 . 1 1 40 40 LYS CG C 13 25.35 0.50 . 1 . . . . . . . . 4577 1 496 . 1 1 40 40 LYS CD C 13 29.54 0.50 . 1 . . . . . . . . 4577 1 497 . 1 1 40 40 LYS CE C 13 42.23 0.50 . 1 . . . . . . . . 4577 1 498 . 1 1 40 40 LYS N N 15 122.04 0.25 . 1 . . . . . . . . 4577 1 499 . 1 1 41 41 HIS H H 1 8.87 0.03 . 1 . . . . . . . . 4577 1 500 . 1 1 41 41 HIS HA H 1 4.32 0.03 . 1 . . . . . . . . 4577 1 501 . 1 1 41 41 HIS HB3 H 1 3.43 0.03 . 2 . . . . . . . . 4577 1 502 . 1 1 41 41 HIS HB2 H 1 3.15 0.03 . 2 . . . . . . . . 4577 1 503 . 1 1 41 41 HIS HD2 H 1 6.65 0.03 . 1 . . . . . . . . 4577 1 504 . 1 1 41 41 HIS HE1 H 1 7.90 0.03 . 1 . . . . . . . . 4577 1 505 . 1 1 41 41 HIS C C 13 178.56 0.50 . 1 . . . . . . . . 4577 1 506 . 1 1 41 41 HIS CA C 13 58.40 0.50 . 1 . . . . . . . . 4577 1 507 . 1 1 41 41 HIS CB C 13 31.24 0.50 . 1 . . . . . . . . 4577 1 508 . 1 1 41 41 HIS CD2 C 13 115.59 0.50 . 1 . . . . . . . . 4577 1 509 . 1 1 41 41 HIS CE1 C 13 138.01 0.50 . 1 . . . . . . . . 4577 1 510 . 1 1 41 41 HIS N N 15 126.31 0.25 . 1 . . . . . . . . 4577 1 511 . 1 1 42 42 GLY H H 1 9.44 0.03 . 1 . . . . . . . . 4577 1 512 . 1 1 42 42 GLY HA3 H 1 3.85 0.03 . 2 . . . . . . . . 4577 1 513 . 1 1 42 42 GLY HA2 H 1 3.56 0.03 . 2 . . . . . . . . 4577 1 514 . 1 1 42 42 GLY C C 13 175.44 0.50 . 1 . . . . . . . . 4577 1 515 . 1 1 42 42 GLY CA C 13 48.19 0.50 . 1 . . . . . . . . 4577 1 516 . 1 1 42 42 GLY N N 15 106.93 0.25 . 1 . . . . . . . . 4577 1 517 . 1 1 43 43 GLU H H 1 7.15 0.03 . 1 . . . . . . . . 4577 1 518 . 1 1 43 43 GLU HA H 1 3.88 0.03 . 1 . . . . . . . . 4577 1 519 . 1 1 43 43 GLU HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4577 1 520 . 1 1 43 43 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 521 . 1 1 43 43 GLU HG2 H 1 2.23 0.03 . 2 . . . . . . . . 4577 1 522 . 1 1 43 43 GLU C C 13 178.07 0.50 . 1 . . . . . . . . 4577 1 523 . 1 1 43 43 GLU CA C 13 60.27 0.50 . 1 . . . . . . . . 4577 1 524 . 1 1 43 43 GLU CB C 13 30.00 0.50 . 1 . . . . . . . . 4577 1 525 . 1 1 43 43 GLU CG C 13 37.24 0.50 . 1 . . . . . . . . 4577 1 526 . 1 1 43 43 GLU N N 15 121.29 0.25 . 1 . . . . . . . . 4577 1 527 . 1 1 44 44 ASN H H 1 8.50 0.03 . 1 . . . . . . . . 4577 1 528 . 1 1 44 44 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 4577 1 529 . 1 1 44 44 ASN HB3 H 1 2.90 0.03 . 2 . . . . . . . . 4577 1 530 . 1 1 44 44 ASN HB2 H 1 2.78 0.03 . 2 . . . . . . . . 4577 1 531 . 1 1 44 44 ASN HD21 H 1 7.35 0.03 . 2 . . . . . . . . 4577 1 532 . 1 1 44 44 ASN HD22 H 1 6.62 0.03 . 2 . . . . . . . . 4577 1 533 . 1 1 44 44 ASN C C 13 177.31 0.50 . 1 . . . . . . . . 4577 1 534 . 1 1 44 44 ASN CA C 13 55.71 0.50 . 1 . . . . . . . . 4577 1 535 . 1 1 44 44 ASN CB C 13 38.49 0.50 . 1 . . . . . . . . 4577 1 536 . 1 1 44 44 ASN N N 15 116.52 0.25 . 1 . . . . . . . . 4577 1 537 . 1 1 44 44 ASN ND2 N 15 109.36 0.25 . 1 . . . . . . . . 4577 1 538 . 1 1 45 45 PHE H H 1 8.42 0.03 . 1 . . . . . . . . 4577 1 539 . 1 1 45 45 PHE HA H 1 4.32 0.03 . 1 . . . . . . . . 4577 1 540 . 1 1 45 45 PHE HB3 H 1 3.48 0.03 . 2 . . . . . . . . 4577 1 541 . 1 1 45 45 PHE HB2 H 1 3.03 0.03 . 2 . . . . . . . . 4577 1 542 . 1 1 45 45 PHE HD1 H 1 7.01 0.03 . 2 . . . . . . . . 4577 1 543 . 1 1 45 45 PHE HE1 H 1 7.15 0.03 . 2 . . . . . . . . 4577 1 544 . 1 1 45 45 PHE HZ H 1 7.09 0.03 . 1 . . . . . . . . 4577 1 545 . 1 1 45 45 PHE C C 13 176.14 0.50 . 1 . . . . . . . . 4577 1 546 . 1 1 45 45 PHE CA C 13 59.03 0.50 . 1 . . . . . . . . 4577 1 547 . 1 1 45 45 PHE CB C 13 38.93 0.50 . 1 . . . . . . . . 4577 1 548 . 1 1 45 45 PHE CD1 C 13 129.90 0.50 . 2 . . . . . . . . 4577 1 549 . 1 1 45 45 PHE CE1 C 13 129.85 0.50 . 2 . . . . . . . . 4577 1 550 . 1 1 45 45 PHE CZ C 13 129.42 0.50 . 1 . . . . . . . . 4577 1 551 . 1 1 45 45 PHE N N 15 119.97 0.25 . 1 . . . . . . . . 4577 1 552 . 1 1 46 46 MET H H 1 7.49 0.03 . 1 . . . . . . . . 4577 1 553 . 1 1 46 46 MET HA H 1 3.83 0.03 . 1 . . . . . . . . 4577 1 554 . 1 1 46 46 MET HB3 H 1 2.24 0.03 . 2 . . . . . . . . 4577 1 555 . 1 1 46 46 MET HG3 H 1 2.78 0.03 . 2 . . . . . . . . 4577 1 556 . 1 1 46 46 MET HG2 H 1 2.43 0.03 . 2 . . . . . . . . 4577 1 557 . 1 1 46 46 MET HE1 H 1 2.18 0.03 . 1 . . . . . . . . 4577 1 558 . 1 1 46 46 MET HE2 H 1 2.18 0.03 . 1 . . . . . . . . 4577 1 559 . 1 1 46 46 MET HE3 H 1 2.18 0.03 . 1 . . . . . . . . 4577 1 560 . 1 1 46 46 MET C C 13 178.50 0.50 . 1 . . . . . . . . 4577 1 561 . 1 1 46 46 MET CA C 13 59.21 0.50 . 1 . . . . . . . . 4577 1 562 . 1 1 46 46 MET CB C 13 29.60 0.50 . 1 . . . . . . . . 4577 1 563 . 1 1 46 46 MET CG C 13 33.16 0.50 . 1 . . . . . . . . 4577 1 564 . 1 1 46 46 MET CE C 13 16.80 0.50 . 1 . . . . . . . . 4577 1 565 . 1 1 46 46 MET N N 15 115.66 0.25 . 1 . . . . . . . . 4577 1 566 . 1 1 47 47 ILE H H 1 8.27 0.03 . 1 . . . . . . . . 4577 1 567 . 1 1 47 47 ILE HA H 1 3.40 0.03 . 1 . . . . . . . . 4577 1 568 . 1 1 47 47 ILE HB H 1 2.10 0.03 . 1 . . . . . . . . 4577 1 569 . 1 1 47 47 ILE HG13 H 1 1.81 0.03 . 2 . . . . . . . . 4577 1 570 . 1 1 47 47 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 571 . 1 1 47 47 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 572 . 1 1 47 47 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 573 . 1 1 47 47 ILE HD11 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 574 . 1 1 47 47 ILE HD12 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 575 . 1 1 47 47 ILE HD13 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 576 . 1 1 47 47 ILE C C 13 179.25 0.50 . 1 . . . . . . . . 4577 1 577 . 1 1 47 47 ILE CA C 13 66.23 0.50 . 1 . . . . . . . . 4577 1 578 . 1 1 47 47 ILE CB C 13 38.16 0.50 . 1 . . . . . . . . 4577 1 579 . 1 1 47 47 ILE CG1 C 13 28.19 0.50 . 1 . . . . . . . . 4577 1 580 . 1 1 47 47 ILE CG2 C 13 18.54 0.50 . 1 . . . . . . . . 4577 1 581 . 1 1 47 47 ILE CD1 C 13 14.04 0.50 . 1 . . . . . . . . 4577 1 582 . 1 1 47 47 ILE N N 15 119.61 0.25 . 1 . . . . . . . . 4577 1 583 . 1 1 48 48 LEU H H 1 8.46 0.03 . 1 . . . . . . . . 4577 1 584 . 1 1 48 48 LEU HA H 1 3.95 0.03 . 1 . . . . . . . . 4577 1 585 . 1 1 48 48 LEU HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4577 1 586 . 1 1 48 48 LEU HB2 H 1 1.34 0.03 . 2 . . . . . . . . 4577 1 587 . 1 1 48 48 LEU HG H 1 2.01 0.03 . 1 . . . . . . . . 4577 1 588 . 1 1 48 48 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 589 . 1 1 48 48 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 590 . 1 1 48 48 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 591 . 1 1 48 48 LEU HD21 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 592 . 1 1 48 48 LEU HD22 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 593 . 1 1 48 48 LEU HD23 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 594 . 1 1 48 48 LEU C C 13 180.38 0.50 . 1 . . . . . . . . 4577 1 595 . 1 1 48 48 LEU CA C 13 58.61 0.50 . 1 . . . . . . . . 4577 1 596 . 1 1 48 48 LEU CB C 13 41.14 0.50 . 1 . . . . . . . . 4577 1 597 . 1 1 48 48 LEU CG C 13 26.50 0.50 . 1 . . . . . . . . 4577 1 598 . 1 1 48 48 LEU CD1 C 13 25.80 0.50 . 1 . . . . . . . . 4577 1 599 . 1 1 48 48 LEU CD2 C 13 21.26 0.50 . 1 . . . . . . . . 4577 1 600 . 1 1 48 48 LEU N N 15 122.24 0.25 . 1 . . . . . . . . 4577 1 601 . 1 1 49 49 LEU H H 1 7.67 0.03 . 1 . . . . . . . . 4577 1 602 . 1 1 49 49 LEU HA H 1 3.61 0.03 . 1 . . . . . . . . 4577 1 603 . 1 1 49 49 LEU HB3 H 1 1.15 0.03 . 2 . . . . . . . . 4577 1 604 . 1 1 49 49 LEU HB2 H 1 -0.19 0.03 . 2 . . . . . . . . 4577 1 605 . 1 1 49 49 LEU HG H 1 1.13 0.03 . 1 . . . . . . . . 4577 1 606 . 1 1 49 49 LEU HD11 H 1 0.02 0.03 . 1 . . . . . . . . 4577 1 607 . 1 1 49 49 LEU HD12 H 1 0.02 0.03 . 1 . . . . . . . . 4577 1 608 . 1 1 49 49 LEU HD13 H 1 0.02 0.03 . 1 . . . . . . . . 4577 1 609 . 1 1 49 49 LEU HD21 H 1 0.64 0.03 . 1 . . . . . . . . 4577 1 610 . 1 1 49 49 LEU HD22 H 1 0.64 0.03 . 1 . . . . . . . . 4577 1 611 . 1 1 49 49 LEU HD23 H 1 0.64 0.03 . 1 . . . . . . . . 4577 1 612 . 1 1 49 49 LEU C C 13 177.77 0.50 . 1 . . . . . . . . 4577 1 613 . 1 1 49 49 LEU CA C 13 58.00 0.50 . 1 . . . . . . . . 4577 1 614 . 1 1 49 49 LEU CB C 13 40.09 0.50 . 1 . . . . . . . . 4577 1 615 . 1 1 49 49 LEU CG C 13 26.30 0.50 . 1 . . . . . . . . 4577 1 616 . 1 1 49 49 LEU CD1 C 13 26.35 0.50 . 1 . . . . . . . . 4577 1 617 . 1 1 49 49 LEU CD2 C 13 22.88 0.50 . 1 . . . . . . . . 4577 1 618 . 1 1 49 49 LEU N N 15 121.13 0.25 . 1 . . . . . . . . 4577 1 619 . 1 1 50 50 GLU H H 1 7.73 0.03 . 1 . . . . . . . . 4577 1 620 . 1 1 50 50 GLU HA H 1 4.35 0.03 . 1 . . . . . . . . 4577 1 621 . 1 1 50 50 GLU HB3 H 1 2.33 0.03 . 2 . . . . . . . . 4577 1 622 . 1 1 50 50 GLU HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4577 1 623 . 1 1 50 50 GLU HG3 H 1 2.49 0.03 . 2 . . . . . . . . 4577 1 624 . 1 1 50 50 GLU HG2 H 1 2.40 0.03 . 2 . . . . . . . . 4577 1 625 . 1 1 50 50 GLU C C 13 177.42 0.50 . 1 . . . . . . . . 4577 1 626 . 1 1 50 50 GLU CA C 13 56.38 0.50 . 1 . . . . . . . . 4577 1 627 . 1 1 50 50 GLU CB C 13 28.93 0.50 . 1 . . . . . . . . 4577 1 628 . 1 1 50 50 GLU CG C 13 34.10 0.50 . 1 . . . . . . . . 4577 1 629 . 1 1 50 50 GLU N N 15 115.65 0.25 . 1 . . . . . . . . 4577 1 630 . 1 1 51 51 SER H H 1 7.34 0.03 . 1 . . . . . . . . 4577 1 631 . 1 1 51 51 SER HA H 1 4.32 0.03 . 1 . . . . . . . . 4577 1 632 . 1 1 51 51 SER HB3 H 1 4.87 0.03 . 2 . . . . . . . . 4577 1 633 . 1 1 51 51 SER HB2 H 1 4.08 0.03 . 2 . . . . . . . . 4577 1 634 . 1 1 51 51 SER C C 13 171.94 0.50 . 1 . . . . . . . . 4577 1 635 . 1 1 51 51 SER CA C 13 59.05 0.50 . 1 . . . . . . . . 4577 1 636 . 1 1 51 51 SER CB C 13 64.15 0.50 . 1 . . . . . . . . 4577 1 637 . 1 1 51 51 SER N N 15 108.70 0.25 . 1 . . . . . . . . 4577 1 638 . 1 1 52 52 ARG H H 1 7.29 0.03 . 1 . . . . . . . . 4577 1 639 . 1 1 52 52 ARG HA H 1 4.20 0.03 . 1 . . . . . . . . 4577 1 640 . 1 1 52 52 ARG HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4577 1 641 . 1 1 52 52 ARG HB2 H 1 0.82 0.03 . 2 . . . . . . . . 4577 1 642 . 1 1 52 52 ARG HD3 H 1 3.29 0.03 . 2 . . . . . . . . 4577 1 643 . 1 1 52 52 ARG HD2 H 1 2.63 0.03 . 2 . . . . . . . . 4577 1 644 . 1 1 52 52 ARG HE H 1 9.03 0.03 . 1 . . . . . . . . 4577 1 645 . 1 1 52 52 ARG C C 13 178.24 0.50 . 1 . . . . . . . . 4577 1 646 . 1 1 52 52 ARG CA C 13 57.28 0.50 . 1 . . . . . . . . 4577 1 647 . 1 1 52 52 ARG CB C 13 34.23 0.50 . 1 . . . . . . . . 4577 1 648 . 1 1 52 52 ARG CG C 13 30.10 0.50 . 1 . . . . . . . . 4577 1 649 . 1 1 52 52 ARG N N 15 119.52 0.25 . 1 . . . . . . . . 4577 1 650 . 1 1 52 52 ARG NE N 15 85.32 0.25 . 1 . . . . . . . . 4577 1 651 . 1 1 53 53 LEU H H 1 9.13 0.03 . 1 . . . . . . . . 4577 1 652 . 1 1 53 53 LEU HA H 1 4.17 0.03 . 1 . . . . . . . . 4577 1 653 . 1 1 53 53 LEU HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4577 1 654 . 1 1 53 53 LEU HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4577 1 655 . 1 1 53 53 LEU HG H 1 1.42 0.03 . 1 . . . . . . . . 4577 1 656 . 1 1 53 53 LEU HD11 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 657 . 1 1 53 53 LEU HD12 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 658 . 1 1 53 53 LEU HD13 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 659 . 1 1 53 53 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 660 . 1 1 53 53 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 661 . 1 1 53 53 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 662 . 1 1 53 53 LEU C C 13 177.90 0.50 . 1 . . . . . . . . 4577 1 663 . 1 1 53 53 LEU CA C 13 58.71 0.50 . 1 . . . . . . . . 4577 1 664 . 1 1 53 53 LEU CB C 13 43.23 0.50 . 1 . . . . . . . . 4577 1 665 . 1 1 53 53 LEU CG C 13 27.18 0.50 . 1 . . . . . . . . 4577 1 666 . 1 1 53 53 LEU CD1 C 13 24.04 0.50 . 1 . . . . . . . . 4577 1 667 . 1 1 53 53 LEU CD2 C 13 27.14 0.50 . 1 . . . . . . . . 4577 1 668 . 1 1 53 53 LEU N N 15 121.63 0.25 . 1 . . . . . . . . 4577 1 669 . 1 1 54 54 ASP H H 1 8.80 0.03 . 1 . . . . . . . . 4577 1 670 . 1 1 54 54 ASP HA H 1 3.90 0.03 . 1 . . . . . . . . 4577 1 671 . 1 1 54 54 ASP HB3 H 1 2.75 0.03 . 2 . . . . . . . . 4577 1 672 . 1 1 54 54 ASP HB2 H 1 2.66 0.03 . 2 . . . . . . . . 4577 1 673 . 1 1 54 54 ASP C C 13 177.53 0.50 . 1 . . . . . . . . 4577 1 674 . 1 1 54 54 ASP CA C 13 58.05 0.50 . 1 . . . . . . . . 4577 1 675 . 1 1 54 54 ASP CB C 13 38.30 0.50 . 1 . . . . . . . . 4577 1 676 . 1 1 54 54 ASP N N 15 114.84 0.25 . 1 . . . . . . . . 4577 1 677 . 1 1 55 55 ASN H H 1 8.41 0.03 . 1 . . . . . . . . 4577 1 678 . 1 1 55 55 ASN HA H 1 4.47 0.03 . 1 . . . . . . . . 4577 1 679 . 1 1 55 55 ASN HB3 H 1 3.28 0.03 . 2 . . . . . . . . 4577 1 680 . 1 1 55 55 ASN HB2 H 1 3.18 0.03 . 2 . . . . . . . . 4577 1 681 . 1 1 55 55 ASN HD21 H 1 6.77 0.03 . 2 . . . . . . . . 4577 1 682 . 1 1 55 55 ASN HD22 H 1 6.75 0.03 . 2 . . . . . . . . 4577 1 683 . 1 1 55 55 ASN C C 13 177.30 0.50 . 1 . . . . . . . . 4577 1 684 . 1 1 55 55 ASN CA C 13 58.55 0.50 . 1 . . . . . . . . 4577 1 685 . 1 1 55 55 ASN CB C 13 40.28 0.50 . 1 . . . . . . . . 4577 1 686 . 1 1 55 55 ASN N N 15 120.98 0.25 . 1 . . . . . . . . 4577 1 687 . 1 1 55 55 ASN ND2 N 15 113.40 0.25 . 1 . . . . . . . . 4577 1 688 . 1 1 56 56 LEU H H 1 8.92 0.03 . 1 . . . . . . . . 4577 1 689 . 1 1 56 56 LEU HA H 1 4.10 0.03 . 1 . . . . . . . . 4577 1 690 . 1 1 56 56 LEU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 4577 1 691 . 1 1 56 56 LEU HB2 H 1 1.10 0.03 . 2 . . . . . . . . 4577 1 692 . 1 1 56 56 LEU HG H 1 2.20 0.03 . 1 . . . . . . . . 4577 1 693 . 1 1 56 56 LEU HD11 H 1 0.27 0.03 . 1 . . . . . . . . 4577 1 694 . 1 1 56 56 LEU HD12 H 1 0.27 0.03 . 1 . . . . . . . . 4577 1 695 . 1 1 56 56 LEU HD13 H 1 0.27 0.03 . 1 . . . . . . . . 4577 1 696 . 1 1 56 56 LEU HD21 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 697 . 1 1 56 56 LEU HD22 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 698 . 1 1 56 56 LEU HD23 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 699 . 1 1 56 56 LEU C C 13 178.88 0.50 . 1 . . . . . . . . 4577 1 700 . 1 1 56 56 LEU CA C 13 58.79 0.50 . 1 . . . . . . . . 4577 1 701 . 1 1 56 56 LEU CB C 13 41.81 0.50 . 1 . . . . . . . . 4577 1 702 . 1 1 56 56 LEU CG C 13 26.38 0.50 . 1 . . . . . . . . 4577 1 703 . 1 1 56 56 LEU CD1 C 13 26.36 0.50 . 1 . . . . . . . . 4577 1 704 . 1 1 56 56 LEU CD2 C 13 22.89 0.50 . 1 . . . . . . . . 4577 1 705 . 1 1 56 56 LEU N N 15 119.54 0.25 . 1 . . . . . . . . 4577 1 706 . 1 1 57 57 VAL H H 1 8.46 0.03 . 1 . . . . . . . . 4577 1 707 . 1 1 57 57 VAL HA H 1 3.47 0.03 . 1 . . . . . . . . 4577 1 708 . 1 1 57 57 VAL HB H 1 2.35 0.03 . 1 . . . . . . . . 4577 1 709 . 1 1 57 57 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 710 . 1 1 57 57 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 711 . 1 1 57 57 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 4577 1 712 . 1 1 57 57 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 713 . 1 1 57 57 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 714 . 1 1 57 57 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 715 . 1 1 57 57 VAL C C 13 177.07 0.50 . 1 . . . . . . . . 4577 1 716 . 1 1 57 57 VAL CA C 13 67.81 0.50 . 1 . . . . . . . . 4577 1 717 . 1 1 57 57 VAL CB C 13 32.00 0.50 . 1 . . . . . . . . 4577 1 718 . 1 1 57 57 VAL CG1 C 13 23.00 0.50 . 1 . . . . . . . . 4577 1 719 . 1 1 57 57 VAL CG2 C 13 24.94 0.50 . 1 . . . . . . . . 4577 1 720 . 1 1 57 57 VAL N N 15 119.66 0.25 . 1 . . . . . . . . 4577 1 721 . 1 1 58 58 TYR H H 1 7.30 0.03 . 1 . . . . . . . . 4577 1 722 . 1 1 58 58 TYR HA H 1 4.37 0.03 . 1 . . . . . . . . 4577 1 723 . 1 1 58 58 TYR HB2 H 1 2.85 0.03 . 1 . . . . . . . . 4577 1 724 . 1 1 58 58 TYR HB3 H 1 3.46 0.03 . 1 . . . . . . . . 4577 1 725 . 1 1 58 58 TYR HD1 H 1 6.83 0.03 . 2 . . . . . . . . 4577 1 726 . 1 1 58 58 TYR HE1 H 1 6.76 0.03 . 2 . . . . . . . . 4577 1 727 . 1 1 58 58 TYR C C 13 178.73 0.50 . 1 . . . . . . . . 4577 1 728 . 1 1 58 58 TYR CA C 13 60.41 0.50 . 1 . . . . . . . . 4577 1 729 . 1 1 58 58 TYR CB C 13 37.94 0.50 . 1 . . . . . . . . 4577 1 730 . 1 1 58 58 TYR CD1 C 13 133.09 0.50 . 2 . . . . . . . . 4577 1 731 . 1 1 58 58 TYR CE1 C 13 118.47 0.50 . 2 . . . . . . . . 4577 1 732 . 1 1 58 58 TYR N N 15 118.66 0.25 . 1 . . . . . . . . 4577 1 733 . 1 1 59 59 ARG H H 1 9.25 0.03 . 1 . . . . . . . . 4577 1 734 . 1 1 59 59 ARG HA H 1 3.46 0.03 . 1 . . . . . . . . 4577 1 735 . 1 1 59 59 ARG HB3 H 1 1.43 0.03 . 2 . . . . . . . . 4577 1 736 . 1 1 59 59 ARG HG3 H 1 2.26 0.03 . 2 . . . . . . . . 4577 1 737 . 1 1 59 59 ARG HG2 H 1 1.87 0.03 . 2 . . . . . . . . 4577 1 738 . 1 1 59 59 ARG HD3 H 1 2.88 0.03 . 2 . . . . . . . . 4577 1 739 . 1 1 59 59 ARG HE H 1 9.80 0.03 . 1 . . . . . . . . 4577 1 740 . 1 1 59 59 ARG C C 13 178.29 0.50 . 1 . . . . . . . . 4577 1 741 . 1 1 59 59 ARG CA C 13 57.20 0.50 . 1 . . . . . . . . 4577 1 742 . 1 1 59 59 ARG CB C 13 31.46 0.50 . 1 . . . . . . . . 4577 1 743 . 1 1 59 59 ARG CG C 13 26.34 0.50 . 1 . . . . . . . . 4577 1 744 . 1 1 59 59 ARG CD C 13 43.59 0.50 . 1 . . . . . . . . 4577 1 745 . 1 1 59 59 ARG N N 15 120.85 0.25 . 1 . . . . . . . . 4577 1 746 . 1 1 59 59 ARG NE N 15 86.81 0.25 . 1 . . . . . . . . 4577 1 747 . 1 1 60 60 LEU H H 1 7.77 0.03 . 1 . . . . . . . . 4577 1 748 . 1 1 60 60 LEU HA H 1 3.64 0.03 . 1 . . . . . . . . 4577 1 749 . 1 1 60 60 LEU HB3 H 1 1.70 0.03 . 2 . . . . . . . . 4577 1 750 . 1 1 60 60 LEU HB2 H 1 0.89 0.03 . 2 . . . . . . . . 4577 1 751 . 1 1 60 60 LEU HG H 1 1.94 0.03 . 1 . . . . . . . . 4577 1 752 . 1 1 60 60 LEU HD11 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 753 . 1 1 60 60 LEU HD12 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 754 . 1 1 60 60 LEU HD13 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 755 . 1 1 60 60 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 756 . 1 1 60 60 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 757 . 1 1 60 60 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 758 . 1 1 60 60 LEU C C 13 174.86 0.50 . 1 . . . . . . . . 4577 1 759 . 1 1 60 60 LEU CA C 13 55.70 0.50 . 1 . . . . . . . . 4577 1 760 . 1 1 60 60 LEU CB C 13 43.08 0.50 . 1 . . . . . . . . 4577 1 761 . 1 1 60 60 LEU CG C 13 26.46 0.50 . 1 . . . . . . . . 4577 1 762 . 1 1 60 60 LEU CD1 C 13 26.02 0.50 . 1 . . . . . . . . 4577 1 763 . 1 1 60 60 LEU CD2 C 13 25.04 0.50 . 1 . . . . . . . . 4577 1 764 . 1 1 60 60 LEU N N 15 115.88 0.25 . 1 . . . . . . . . 4577 1 765 . 1 1 61 61 GLY H H 1 7.57 0.03 . 1 . . . . . . . . 4577 1 766 . 1 1 61 61 GLY HA3 H 1 3.74 0.03 . 2 . . . . . . . . 4577 1 767 . 1 1 61 61 GLY HA2 H 1 3.53 0.03 . 2 . . . . . . . . 4577 1 768 . 1 1 61 61 GLY C C 13 172.85 0.50 . 1 . . . . . . . . 4577 1 769 . 1 1 61 61 GLY CA C 13 45.20 0.50 . 1 . . . . . . . . 4577 1 770 . 1 1 61 61 GLY N N 15 102.75 0.25 . 1 . . . . . . . . 4577 1 771 . 1 1 62 62 LEU H H 1 6.84 0.03 . 1 . . . . . . . . 4577 1 772 . 1 1 62 62 LEU HA H 1 3.95 0.03 . 1 . . . . . . . . 4577 1 773 . 1 1 62 62 LEU HB2 H 1 1.75 0.03 . 1 . . . . . . . . 4577 1 774 . 1 1 62 62 LEU HB3 H 1 1.24 0.03 . 1 . . . . . . . . 4577 1 775 . 1 1 62 62 LEU HG H 1 1.39 0.03 . 1 . . . . . . . . 4577 1 776 . 1 1 62 62 LEU HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 777 . 1 1 62 62 LEU HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 778 . 1 1 62 62 LEU HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 779 . 1 1 62 62 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 780 . 1 1 62 62 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 781 . 1 1 62 62 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 782 . 1 1 62 62 LEU C C 13 173.52 0.50 . 1 . . . . . . . . 4577 1 783 . 1 1 62 62 LEU CA C 13 54.92 0.50 . 1 . . . . . . . . 4577 1 784 . 1 1 62 62 LEU CB C 13 42.19 0.50 . 1 . . . . . . . . 4577 1 785 . 1 1 62 62 LEU CG C 13 26.90 0.50 . 1 . . . . . . . . 4577 1 786 . 1 1 62 62 LEU CD1 C 13 25.55 0.50 . 1 . . . . . . . . 4577 1 787 . 1 1 62 62 LEU CD2 C 13 23.57 0.50 . 1 . . . . . . . . 4577 1 788 . 1 1 62 62 LEU N N 15 112.58 0.25 . 1 . . . . . . . . 4577 1 789 . 1 1 63 63 ALA H H 1 7.00 0.03 . 1 . . . . . . . . 4577 1 790 . 1 1 63 63 ALA HA H 1 4.42 0.03 . 1 . . . . . . . . 4577 1 791 . 1 1 63 63 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 4577 1 792 . 1 1 63 63 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 4577 1 793 . 1 1 63 63 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 4577 1 794 . 1 1 63 63 ALA C C 13 177.34 0.50 . 1 . . . . . . . . 4577 1 795 . 1 1 63 63 ALA CA C 13 50.00 0.50 . 1 . . . . . . . . 4577 1 796 . 1 1 63 63 ALA CB C 13 24.30 0.50 . 1 . . . . . . . . 4577 1 797 . 1 1 63 63 ALA N N 15 110.95 0.25 . 1 . . . . . . . . 4577 1 798 . 1 1 64 64 ARG H H 1 9.09 0.03 . 1 . . . . . . . . 4577 1 799 . 1 1 64 64 ARG HA H 1 4.33 0.03 . 1 . . . . . . . . 4577 1 800 . 1 1 64 64 ARG HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4577 1 801 . 1 1 64 64 ARG HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4577 1 802 . 1 1 64 64 ARG HG3 H 1 1.93 0.03 . 2 . . . . . . . . 4577 1 803 . 1 1 64 64 ARG HG2 H 1 1.77 0.03 . 2 . . . . . . . . 4577 1 804 . 1 1 64 64 ARG HD3 H 1 3.29 0.03 . 2 . . . . . . . . 4577 1 805 . 1 1 64 64 ARG HE H 1 7.32 0.03 . 1 . . . . . . . . 4577 1 806 . 1 1 64 64 ARG C C 13 176.29 0.50 . 1 . . . . . . . . 4577 1 807 . 1 1 64 64 ARG CA C 13 58.14 0.50 . 1 . . . . . . . . 4577 1 808 . 1 1 64 64 ARG CB C 13 31.61 0.50 . 1 . . . . . . . . 4577 1 809 . 1 1 64 64 ARG CG C 13 28.24 0.50 . 1 . . . . . . . . 4577 1 810 . 1 1 64 64 ARG CD C 13 43.51 0.50 . 1 . . . . . . . . 4577 1 811 . 1 1 64 64 ARG N N 15 117.81 0.25 . 1 . . . . . . . . 4577 1 812 . 1 1 64 64 ARG NE N 15 84.18 0.25 . 1 . . . . . . . . 4577 1 813 . 1 1 65 65 THR H H 1 7.24 0.03 . 1 . . . . . . . . 4577 1 814 . 1 1 65 65 THR HA H 1 4.72 0.03 . 1 . . . . . . . . 4577 1 815 . 1 1 65 65 THR HB H 1 4.59 0.03 . 1 . . . . . . . . 4577 1 816 . 1 1 65 65 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 4577 1 817 . 1 1 65 65 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 4577 1 818 . 1 1 65 65 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 4577 1 819 . 1 1 65 65 THR C C 13 175.26 0.50 . 1 . . . . . . . . 4577 1 820 . 1 1 65 65 THR CA C 13 58.53 0.50 . 1 . . . . . . . . 4577 1 821 . 1 1 65 65 THR CB C 13 73.47 0.50 . 1 . . . . . . . . 4577 1 822 . 1 1 65 65 THR CG2 C 13 22.01 0.50 . 1 . . . . . . . . 4577 1 823 . 1 1 65 65 THR N N 15 102.80 0.25 . 1 . . . . . . . . 4577 1 824 . 1 1 66 66 ARG H H 1 8.77 0.03 . 1 . . . . . . . . 4577 1 825 . 1 1 66 66 ARG HA H 1 3.72 0.03 . 1 . . . . . . . . 4577 1 826 . 1 1 66 66 ARG HB3 H 1 1.58 0.03 . 2 . . . . . . . . 4577 1 827 . 1 1 66 66 ARG HB2 H 1 1.46 0.03 . 2 . . . . . . . . 4577 1 828 . 1 1 66 66 ARG C C 13 178.49 0.50 . 1 . . . . . . . . 4577 1 829 . 1 1 66 66 ARG CA C 13 60.58 0.50 . 1 . . . . . . . . 4577 1 830 . 1 1 66 66 ARG CB C 13 29.11 0.50 . 1 . . . . . . . . 4577 1 831 . 1 1 66 66 ARG N N 15 122.77 0.25 . 1 . . . . . . . . 4577 1 832 . 1 1 67 67 ARG H H 1 8.23 0.03 . 1 . . . . . . . . 4577 1 833 . 1 1 67 67 ARG HA H 1 4.05 0.03 . 1 . . . . . . . . 4577 1 834 . 1 1 67 67 ARG HB3 H 1 1.93 0.03 . 2 . . . . . . . . 4577 1 835 . 1 1 67 67 ARG HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4577 1 836 . 1 1 67 67 ARG HG3 H 1 1.73 0.03 . 2 . . . . . . . . 4577 1 837 . 1 1 67 67 ARG HG2 H 1 1.58 0.03 . 2 . . . . . . . . 4577 1 838 . 1 1 67 67 ARG HD3 H 1 3.24 0.03 . 2 . . . . . . . . 4577 1 839 . 1 1 67 67 ARG C C 13 179.25 0.50 . 1 . . . . . . . . 4577 1 840 . 1 1 67 67 ARG CA C 13 59.80 0.50 . 1 . . . . . . . . 4577 1 841 . 1 1 67 67 ARG CB C 13 29.89 0.50 . 1 . . . . . . . . 4577 1 842 . 1 1 67 67 ARG CG C 13 27.54 0.50 . 1 . . . . . . . . 4577 1 843 . 1 1 67 67 ARG CD C 13 43.58 0.50 . 1 . . . . . . . . 4577 1 844 . 1 1 67 67 ARG N N 15 119.97 0.25 . 1 . . . . . . . . 4577 1 845 . 1 1 68 68 GLN H H 1 7.92 0.03 . 1 . . . . . . . . 4577 1 846 . 1 1 68 68 GLN HA H 1 4.17 0.03 . 1 . . . . . . . . 4577 1 847 . 1 1 68 68 GLN HB3 H 1 2.16 0.03 . 2 . . . . . . . . 4577 1 848 . 1 1 68 68 GLN HG3 H 1 2.46 0.03 . 2 . . . . . . . . 4577 1 849 . 1 1 68 68 GLN HE21 H 1 7.46 0.03 . 2 . . . . . . . . 4577 1 850 . 1 1 68 68 GLN HE22 H 1 6.97 0.03 . 2 . . . . . . . . 4577 1 851 . 1 1 68 68 GLN C C 13 178.60 0.50 . 1 . . . . . . . . 4577 1 852 . 1 1 68 68 GLN CA C 13 58.49 0.50 . 1 . . . . . . . . 4577 1 853 . 1 1 68 68 GLN CB C 13 29.61 0.50 . 1 . . . . . . . . 4577 1 854 . 1 1 68 68 GLN CG C 13 35.03 0.50 . 1 . . . . . . . . 4577 1 855 . 1 1 68 68 GLN CD C 13 179.88 0.50 . 1 . . . . . . . . 4577 1 856 . 1 1 68 68 GLN N N 15 118.89 0.25 . 1 . . . . . . . . 4577 1 857 . 1 1 68 68 GLN NE2 N 15 112.35 0.25 . 1 . . . . . . . . 4577 1 858 . 1 1 69 69 ALA H H 1 8.14 0.03 . 1 . . . . . . . . 4577 1 859 . 1 1 69 69 ALA HA H 1 3.84 0.03 . 1 . . . . . . . . 4577 1 860 . 1 1 69 69 ALA HB1 H 1 1.70 0.03 . 1 . . . . . . . . 4577 1 861 . 1 1 69 69 ALA HB2 H 1 1.70 0.03 . 1 . . . . . . . . 4577 1 862 . 1 1 69 69 ALA HB3 H 1 1.70 0.03 . 1 . . . . . . . . 4577 1 863 . 1 1 69 69 ALA C C 13 179.07 0.50 . 1 . . . . . . . . 4577 1 864 . 1 1 69 69 ALA CA C 13 55.76 0.50 . 1 . . . . . . . . 4577 1 865 . 1 1 69 69 ALA CB C 13 20.28 0.50 . 1 . . . . . . . . 4577 1 866 . 1 1 69 69 ALA N N 15 124.18 0.25 . 1 . . . . . . . . 4577 1 867 . 1 1 70 70 ARG H H 1 8.51 0.03 . 1 . . . . . . . . 4577 1 868 . 1 1 70 70 ARG HA H 1 3.82 0.03 . 1 . . . . . . . . 4577 1 869 . 1 1 70 70 ARG HB3 H 1 2.16 0.03 . 2 . . . . . . . . 4577 1 870 . 1 1 70 70 ARG HG3 H 1 1.84 0.03 . 2 . . . . . . . . 4577 1 871 . 1 1 70 70 ARG HG2 H 1 1.77 0.03 . 2 . . . . . . . . 4577 1 872 . 1 1 70 70 ARG HD3 H 1 3.42 0.03 . 2 . . . . . . . . 4577 1 873 . 1 1 70 70 ARG HD2 H 1 3.34 0.03 . 2 . . . . . . . . 4577 1 874 . 1 1 70 70 ARG HE H 1 7.52 0.03 . 1 . . . . . . . . 4577 1 875 . 1 1 70 70 ARG C C 13 178.58 0.50 . 1 . . . . . . . . 4577 1 876 . 1 1 70 70 ARG CA C 13 60.99 0.50 . 1 . . . . . . . . 4577 1 877 . 1 1 70 70 ARG CB C 13 30.19 0.50 . 1 . . . . . . . . 4577 1 878 . 1 1 70 70 ARG CG C 13 28.54 0.50 . 1 . . . . . . . . 4577 1 879 . 1 1 70 70 ARG CD C 13 43.71 0.50 . 1 . . . . . . . . 4577 1 880 . 1 1 70 70 ARG N N 15 117.23 0.25 . 1 . . . . . . . . 4577 1 881 . 1 1 70 70 ARG NE N 15 85.10 0.25 . 1 . . . . . . . . 4577 1 882 . 1 1 71 71 GLN H H 1 7.69 0.03 . 1 . . . . . . . . 4577 1 883 . 1 1 71 71 GLN HA H 1 4.32 0.03 . 1 . . . . . . . . 4577 1 884 . 1 1 71 71 GLN HB2 H 1 2.30 0.03 . 1 . . . . . . . . 4577 1 885 . 1 1 71 71 GLN HB3 H 1 2.16 0.03 . 1 . . . . . . . . 4577 1 886 . 1 1 71 71 GLN HG3 H 1 2.51 0.03 . 2 . . . . . . . . 4577 1 887 . 1 1 71 71 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 4577 1 888 . 1 1 71 71 GLN HE21 H 1 7.36 0.03 . 2 . . . . . . . . 4577 1 889 . 1 1 71 71 GLN HE22 H 1 6.80 0.03 . 2 . . . . . . . . 4577 1 890 . 1 1 71 71 GLN C C 13 178.95 0.50 . 1 . . . . . . . . 4577 1 891 . 1 1 71 71 GLN CA C 13 58.77 0.50 . 1 . . . . . . . . 4577 1 892 . 1 1 71 71 GLN CB C 13 28.55 0.50 . 1 . . . . . . . . 4577 1 893 . 1 1 71 71 GLN CG C 13 34.08 0.50 . 1 . . . . . . . . 4577 1 894 . 1 1 71 71 GLN CD C 13 180.00 0.50 . 1 . . . . . . . . 4577 1 895 . 1 1 71 71 GLN N N 15 118.33 0.25 . 1 . . . . . . . . 4577 1 896 . 1 1 71 71 GLN NE2 N 15 111.18 0.25 . 1 . . . . . . . . 4577 1 897 . 1 1 72 72 LEU H H 1 8.10 0.03 . 1 . . . . . . . . 4577 1 898 . 1 1 72 72 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 4577 1 899 . 1 1 72 72 LEU HB2 H 1 2.31 0.03 . 1 . . . . . . . . 4577 1 900 . 1 1 72 72 LEU HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4577 1 901 . 1 1 72 72 LEU HG H 1 1.97 0.03 . 1 . . . . . . . . 4577 1 902 . 1 1 72 72 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4577 1 903 . 1 1 72 72 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4577 1 904 . 1 1 72 72 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4577 1 905 . 1 1 72 72 LEU HD21 H 1 0.74 0.03 . 1 . . . . . . . . 4577 1 906 . 1 1 72 72 LEU HD22 H 1 0.74 0.03 . 1 . . . . . . . . 4577 1 907 . 1 1 72 72 LEU HD23 H 1 0.74 0.03 . 1 . . . . . . . . 4577 1 908 . 1 1 72 72 LEU C C 13 179.03 0.50 . 1 . . . . . . . . 4577 1 909 . 1 1 72 72 LEU CA C 13 58.49 0.50 . 1 . . . . . . . . 4577 1 910 . 1 1 72 72 LEU CB C 13 42.93 0.50 . 1 . . . . . . . . 4577 1 911 . 1 1 72 72 LEU CG C 13 26.76 0.50 . 1 . . . . . . . . 4577 1 912 . 1 1 72 72 LEU CD1 C 13 26.42 0.50 . 1 . . . . . . . . 4577 1 913 . 1 1 72 72 LEU CD2 C 13 23.12 0.50 . 1 . . . . . . . . 4577 1 914 . 1 1 72 72 LEU N N 15 119.74 0.25 . 1 . . . . . . . . 4577 1 915 . 1 1 73 73 VAL H H 1 7.80 0.03 . 1 . . . . . . . . 4577 1 916 . 1 1 73 73 VAL HA H 1 3.90 0.03 . 1 . . . . . . . . 4577 1 917 . 1 1 73 73 VAL HB H 1 2.31 0.03 . 1 . . . . . . . . 4577 1 918 . 1 1 73 73 VAL HG11 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 919 . 1 1 73 73 VAL HG12 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 920 . 1 1 73 73 VAL HG13 H 1 0.80 0.03 . 1 . . . . . . . . 4577 1 921 . 1 1 73 73 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 922 . 1 1 73 73 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 923 . 1 1 73 73 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 924 . 1 1 73 73 VAL C C 13 180.79 0.50 . 1 . . . . . . . . 4577 1 925 . 1 1 73 73 VAL CA C 13 65.76 0.50 . 1 . . . . . . . . 4577 1 926 . 1 1 73 73 VAL CB C 13 32.46 0.50 . 1 . . . . . . . . 4577 1 927 . 1 1 73 73 VAL CG1 C 13 21.37 0.50 . 1 . . . . . . . . 4577 1 928 . 1 1 73 73 VAL CG2 C 13 23.73 0.50 . 1 . . . . . . . . 4577 1 929 . 1 1 73 73 VAL N N 15 116.16 0.25 . 1 . . . . . . . . 4577 1 930 . 1 1 74 74 THR H H 1 9.02 0.03 . 1 . . . . . . . . 4577 1 931 . 1 1 74 74 THR HA H 1 4.35 0.03 . 1 . . . . . . . . 4577 1 932 . 1 1 74 74 THR HB H 1 4.38 0.03 . 1 . . . . . . . . 4577 1 933 . 1 1 74 74 THR HG21 H 1 1.42 0.03 . 1 . . . . . . . . 4577 1 934 . 1 1 74 74 THR HG22 H 1 1.42 0.03 . 1 . . . . . . . . 4577 1 935 . 1 1 74 74 THR HG23 H 1 1.42 0.03 . 1 . . . . . . . . 4577 1 936 . 1 1 74 74 THR C C 13 177.20 0.50 . 1 . . . . . . . . 4577 1 937 . 1 1 74 74 THR CA C 13 65.67 0.50 . 1 . . . . . . . . 4577 1 938 . 1 1 74 74 THR CB C 13 69.42 0.50 . 1 . . . . . . . . 4577 1 939 . 1 1 74 74 THR CG2 C 13 22.21 0.50 . 1 . . . . . . . . 4577 1 940 . 1 1 74 74 THR N N 15 112.57 0.25 . 1 . . . . . . . . 4577 1 941 . 1 1 75 75 HIS H H 1 7.98 0.03 . 1 . . . . . . . . 4577 1 942 . 1 1 75 75 HIS HA H 1 4.73 0.03 . 1 . . . . . . . . 4577 1 943 . 1 1 75 75 HIS HB2 H 1 3.33 0.03 . 1 . . . . . . . . 4577 1 944 . 1 1 75 75 HIS HB3 H 1 3.65 0.03 . 1 . . . . . . . . 4577 1 945 . 1 1 75 75 HIS HD2 H 1 7.49 0.03 . 1 . . . . . . . . 4577 1 946 . 1 1 75 75 HIS HE1 H 1 8.66 0.03 . 1 . . . . . . . . 4577 1 947 . 1 1 75 75 HIS C C 13 174.72 0.50 . 1 . . . . . . . . 4577 1 948 . 1 1 75 75 HIS CA C 13 56.12 0.50 . 1 . . . . . . . . 4577 1 949 . 1 1 75 75 HIS CB C 13 28.54 0.50 . 1 . . . . . . . . 4577 1 950 . 1 1 75 75 HIS CD2 C 13 119.75 0.50 . 1 . . . . . . . . 4577 1 951 . 1 1 75 75 HIS CE1 C 13 136.15 0.50 . 1 . . . . . . . . 4577 1 952 . 1 1 75 75 HIS N N 15 115.59 0.25 . 1 . . . . . . . . 4577 1 953 . 1 1 76 76 GLY H H 1 7.69 0.03 . 1 . . . . . . . . 4577 1 954 . 1 1 76 76 GLY HA3 H 1 4.14 0.03 . 2 . . . . . . . . 4577 1 955 . 1 1 76 76 GLY HA2 H 1 3.91 0.03 . 2 . . . . . . . . 4577 1 956 . 1 1 76 76 GLY C C 13 175.38 0.50 . 1 . . . . . . . . 4577 1 957 . 1 1 76 76 GLY CA C 13 47.84 0.50 . 1 . . . . . . . . 4577 1 958 . 1 1 76 76 GLY N N 15 105.82 0.25 . 1 . . . . . . . . 4577 1 959 . 1 1 77 77 HIS H H 1 7.63 0.03 . 1 . . . . . . . . 4577 1 960 . 1 1 77 77 HIS HA H 1 4.51 0.03 . 1 . . . . . . . . 4577 1 961 . 1 1 77 77 HIS HB2 H 1 2.93 0.03 . 1 . . . . . . . . 4577 1 962 . 1 1 77 77 HIS HB3 H 1 3.30 0.03 . 1 . . . . . . . . 4577 1 963 . 1 1 77 77 HIS HD2 H 1 7.25 0.03 . 1 . . . . . . . . 4577 1 964 . 1 1 77 77 HIS HE1 H 1 8.47 0.03 . 1 . . . . . . . . 4577 1 965 . 1 1 77 77 HIS C C 13 174.16 0.50 . 1 . . . . . . . . 4577 1 966 . 1 1 77 77 HIS CA C 13 57.88 0.50 . 1 . . . . . . . . 4577 1 967 . 1 1 77 77 HIS CB C 13 32.28 0.50 . 1 . . . . . . . . 4577 1 968 . 1 1 77 77 HIS CD2 C 13 118.47 0.50 . 1 . . . . . . . . 4577 1 969 . 1 1 77 77 HIS CE1 C 13 136.64 0.50 . 1 . . . . . . . . 4577 1 970 . 1 1 77 77 HIS N N 15 115.10 0.25 . 1 . . . . . . . . 4577 1 971 . 1 1 78 78 ILE H H 1 9.35 0.03 . 1 . . . . . . . . 4577 1 972 . 1 1 78 78 ILE HA H 1 4.97 0.03 . 1 . . . . . . . . 4577 1 973 . 1 1 78 78 ILE HB H 1 2.31 0.03 . 1 . . . . . . . . 4577 1 974 . 1 1 78 78 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 975 . 1 1 78 78 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 976 . 1 1 78 78 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4577 1 977 . 1 1 78 78 ILE HD11 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 978 . 1 1 78 78 ILE HD12 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 979 . 1 1 78 78 ILE HD13 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 980 . 1 1 78 78 ILE C C 13 174.49 0.50 . 1 . . . . . . . . 4577 1 981 . 1 1 78 78 ILE CA C 13 57.75 0.50 . 1 . . . . . . . . 4577 1 982 . 1 1 78 78 ILE CB C 13 37.95 0.50 . 1 . . . . . . . . 4577 1 983 . 1 1 78 78 ILE CG2 C 13 18.84 0.50 . 1 . . . . . . . . 4577 1 984 . 1 1 78 78 ILE CD1 C 13 8.79 0.50 . 1 . . . . . . . . 4577 1 985 . 1 1 78 78 ILE N N 15 120.49 0.25 . 1 . . . . . . . . 4577 1 986 . 1 1 79 79 LEU H H 1 9.31 0.03 . 1 . . . . . . . . 4577 1 987 . 1 1 79 79 LEU HA H 1 4.97 0.03 . 1 . . . . . . . . 4577 1 988 . 1 1 79 79 LEU HB3 H 1 1.78 0.03 . 2 . . . . . . . . 4577 1 989 . 1 1 79 79 LEU HB2 H 1 0.93 0.03 . 2 . . . . . . . . 4577 1 990 . 1 1 79 79 LEU HG H 1 1.50 0.03 . 1 . . . . . . . . 4577 1 991 . 1 1 79 79 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 992 . 1 1 79 79 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 993 . 1 1 79 79 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 994 . 1 1 79 79 LEU HD21 H 1 0.65 0.03 . 1 . . . . . . . . 4577 1 995 . 1 1 79 79 LEU HD22 H 1 0.65 0.03 . 1 . . . . . . . . 4577 1 996 . 1 1 79 79 LEU HD23 H 1 0.65 0.03 . 1 . . . . . . . . 4577 1 997 . 1 1 79 79 LEU C C 13 177.20 0.50 . 1 . . . . . . . . 4577 1 998 . 1 1 79 79 LEU CA C 13 52.55 0.50 . 1 . . . . . . . . 4577 1 999 . 1 1 79 79 LEU CB C 13 45.23 0.50 . 1 . . . . . . . . 4577 1 1000 . 1 1 79 79 LEU CG C 13 27.19 0.50 . 1 . . . . . . . . 4577 1 1001 . 1 1 79 79 LEU CD1 C 13 25.90 0.50 . 1 . . . . . . . . 4577 1 1002 . 1 1 79 79 LEU CD2 C 13 22.92 0.50 . 1 . . . . . . . . 4577 1 1003 . 1 1 79 79 LEU N N 15 124.90 0.25 . 1 . . . . . . . . 4577 1 1004 . 1 1 80 80 VAL H H 1 8.89 0.03 . 1 . . . . . . . . 4577 1 1005 . 1 1 80 80 VAL HA H 1 5.13 0.03 . 1 . . . . . . . . 4577 1 1006 . 1 1 80 80 VAL HB H 1 1.80 0.03 . 1 . . . . . . . . 4577 1 1007 . 1 1 80 80 VAL HG11 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1008 . 1 1 80 80 VAL HG12 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1009 . 1 1 80 80 VAL HG13 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1010 . 1 1 80 80 VAL HG21 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1011 . 1 1 80 80 VAL HG22 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1012 . 1 1 80 80 VAL HG23 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1013 . 1 1 80 80 VAL C C 13 177.10 0.50 . 1 . . . . . . . . 4577 1 1014 . 1 1 80 80 VAL CA C 13 60.99 0.50 . 1 . . . . . . . . 4577 1 1015 . 1 1 80 80 VAL CB C 13 33.63 0.50 . 1 . . . . . . . . 4577 1 1016 . 1 1 80 80 VAL CG1 C 13 21.81 0.50 . 1 . . . . . . . . 4577 1 1017 . 1 1 80 80 VAL CG2 C 13 23.06 0.50 . 1 . . . . . . . . 4577 1 1018 . 1 1 80 80 VAL N N 15 119.54 0.25 . 1 . . . . . . . . 4577 1 1019 . 1 1 81 81 ASP H H 1 9.69 0.03 . 1 . . . . . . . . 4577 1 1020 . 1 1 81 81 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 4577 1 1021 . 1 1 81 81 ASP HB3 H 1 3.17 0.03 . 2 . . . . . . . . 4577 1 1022 . 1 1 81 81 ASP HB2 H 1 2.81 0.03 . 2 . . . . . . . . 4577 1 1023 . 1 1 81 81 ASP C C 13 177.16 0.50 . 1 . . . . . . . . 4577 1 1024 . 1 1 81 81 ASP CA C 13 55.66 0.50 . 1 . . . . . . . . 4577 1 1025 . 1 1 81 81 ASP CB C 13 39.82 0.50 . 1 . . . . . . . . 4577 1 1026 . 1 1 81 81 ASP N N 15 130.40 0.25 . 1 . . . . . . . . 4577 1 1027 . 1 1 82 82 GLY H H 1 8.98 0.03 . 1 . . . . . . . . 4577 1 1028 . 1 1 82 82 GLY HA3 H 1 4.29 0.03 . 2 . . . . . . . . 4577 1 1029 . 1 1 82 82 GLY HA2 H 1 3.53 0.03 . 2 . . . . . . . . 4577 1 1030 . 1 1 82 82 GLY C C 13 174.10 0.50 . 1 . . . . . . . . 4577 1 1031 . 1 1 82 82 GLY CA C 13 45.88 0.50 . 1 . . . . . . . . 4577 1 1032 . 1 1 82 82 GLY N N 15 102.18 0.25 . 1 . . . . . . . . 4577 1 1033 . 1 1 83 83 SER H H 1 7.96 0.03 . 1 . . . . . . . . 4577 1 1034 . 1 1 83 83 SER HA H 1 4.90 0.03 . 1 . . . . . . . . 4577 1 1035 . 1 1 83 83 SER HB2 H 1 3.76 0.03 . 1 . . . . . . . . 4577 1 1036 . 1 1 83 83 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 4577 1 1037 . 1 1 83 83 SER C C 13 173.30 0.50 . 1 . . . . . . . . 4577 1 1038 . 1 1 83 83 SER CA C 13 57.19 0.50 . 1 . . . . . . . . 4577 1 1039 . 1 1 83 83 SER CB C 13 65.23 0.50 . 1 . . . . . . . . 4577 1 1040 . 1 1 83 83 SER N N 15 116.47 0.25 . 1 . . . . . . . . 4577 1 1041 . 1 1 84 84 ARG H H 1 8.82 0.03 . 1 . . . . . . . . 4577 1 1042 . 1 1 84 84 ARG HA H 1 4.25 0.03 . 1 . . . . . . . . 4577 1 1043 . 1 1 84 84 ARG HB3 H 1 1.80 0.03 . 2 . . . . . . . . 4577 1 1044 . 1 1 84 84 ARG HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4577 1 1045 . 1 1 84 84 ARG HG3 H 1 1.68 0.03 . 2 . . . . . . . . 4577 1 1046 . 1 1 84 84 ARG HG2 H 1 1.42 0.03 . 2 . . . . . . . . 4577 1 1047 . 1 1 84 84 ARG HD3 H 1 3.26 0.03 . 2 . . . . . . . . 4577 1 1048 . 1 1 84 84 ARG C C 13 176.36 0.50 . 1 . . . . . . . . 4577 1 1049 . 1 1 84 84 ARG CA C 13 58.12 0.50 . 1 . . . . . . . . 4577 1 1050 . 1 1 84 84 ARG CB C 13 30.52 0.50 . 1 . . . . . . . . 4577 1 1051 . 1 1 84 84 ARG CG C 13 26.62 0.50 . 1 . . . . . . . . 4577 1 1052 . 1 1 84 84 ARG CD C 13 44.02 0.50 . 1 . . . . . . . . 4577 1 1053 . 1 1 84 84 ARG N N 15 126.62 0.25 . 1 . . . . . . . . 4577 1 1054 . 1 1 85 85 VAL H H 1 7.58 0.03 . 1 . . . . . . . . 4577 1 1055 . 1 1 85 85 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 4577 1 1056 . 1 1 85 85 VAL HB H 1 1.57 0.03 . 1 . . . . . . . . 4577 1 1057 . 1 1 85 85 VAL HG11 H 1 0.61 0.03 . 1 . . . . . . . . 4577 1 1058 . 1 1 85 85 VAL HG12 H 1 0.61 0.03 . 1 . . . . . . . . 4577 1 1059 . 1 1 85 85 VAL HG13 H 1 0.61 0.03 . 1 . . . . . . . . 4577 1 1060 . 1 1 85 85 VAL HG21 H 1 0.59 0.03 . 1 . . . . . . . . 4577 1 1061 . 1 1 85 85 VAL HG22 H 1 0.59 0.03 . 1 . . . . . . . . 4577 1 1062 . 1 1 85 85 VAL HG23 H 1 0.59 0.03 . 1 . . . . . . . . 4577 1 1063 . 1 1 85 85 VAL C C 13 174.26 0.50 . 1 . . . . . . . . 4577 1 1064 . 1 1 85 85 VAL CA C 13 62.40 0.50 . 1 . . . . . . . . 4577 1 1065 . 1 1 85 85 VAL CB C 13 35.02 0.50 . 1 . . . . . . . . 4577 1 1066 . 1 1 85 85 VAL CG1 C 13 22.52 0.50 . 1 . . . . . . . . 4577 1 1067 . 1 1 85 85 VAL CG2 C 13 21.72 0.50 . 1 . . . . . . . . 4577 1 1068 . 1 1 85 85 VAL N N 15 127.47 0.25 . 1 . . . . . . . . 4577 1 1069 . 1 1 86 86 ASN H H 1 8.40 0.03 . 1 . . . . . . . . 4577 1 1070 . 1 1 86 86 ASN HA H 1 5.20 0.03 . 1 . . . . . . . . 4577 1 1071 . 1 1 86 86 ASN HB3 H 1 3.13 0.03 . 2 . . . . . . . . 4577 1 1072 . 1 1 86 86 ASN HB2 H 1 2.58 0.03 . 2 . . . . . . . . 4577 1 1073 . 1 1 86 86 ASN HD21 H 1 9.03 0.03 . 2 . . . . . . . . 4577 1 1074 . 1 1 86 86 ASN HD22 H 1 6.71 0.03 . 2 . . . . . . . . 4577 1 1075 . 1 1 86 86 ASN C C 13 174.63 0.50 . 1 . . . . . . . . 4577 1 1076 . 1 1 86 86 ASN CA C 13 51.75 0.50 . 1 . . . . . . . . 4577 1 1077 . 1 1 86 86 ASN CB C 13 38.75 0.50 . 1 . . . . . . . . 4577 1 1078 . 1 1 86 86 ASN N N 15 122.23 0.25 . 1 . . . . . . . . 4577 1 1079 . 1 1 86 86 ASN ND2 N 15 120.22 0.25 . 1 . . . . . . . . 4577 1 1080 . 1 1 87 87 ILE H H 1 6.52 0.03 . 1 . . . . . . . . 4577 1 1081 . 1 1 87 87 ILE HA H 1 4.61 0.03 . 1 . . . . . . . . 4577 1 1082 . 1 1 87 87 ILE HB H 1 1.89 0.03 . 1 . . . . . . . . 4577 1 1083 . 1 1 87 87 ILE HG13 H 1 1.78 0.03 . 2 . . . . . . . . 4577 1 1084 . 1 1 87 87 ILE HG12 H 1 1.32 0.03 . 2 . . . . . . . . 4577 1 1085 . 1 1 87 87 ILE HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4577 1 1086 . 1 1 87 87 ILE HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4577 1 1087 . 1 1 87 87 ILE HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4577 1 1088 . 1 1 87 87 ILE HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1089 . 1 1 87 87 ILE HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1090 . 1 1 87 87 ILE HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1091 . 1 1 87 87 ILE C C 13 175.27 0.50 . 1 . . . . . . . . 4577 1 1092 . 1 1 87 87 ILE CA C 13 57.43 0.50 . 1 . . . . . . . . 4577 1 1093 . 1 1 87 87 ILE CB C 13 40.27 0.50 . 1 . . . . . . . . 4577 1 1094 . 1 1 87 87 ILE CG1 C 13 27.00 0.50 . 1 . . . . . . . . 4577 1 1095 . 1 1 87 87 ILE CG2 C 13 17.78 0.50 . 1 . . . . . . . . 4577 1 1096 . 1 1 87 87 ILE CD1 C 13 12.82 0.50 . 1 . . . . . . . . 4577 1 1097 . 1 1 87 87 ILE N N 15 119.71 0.25 . 1 . . . . . . . . 4577 1 1098 . 1 1 88 88 PRO HA H 1 4.18 0.03 . 1 . . . . . . . . 4577 1 1099 . 1 1 88 88 PRO HB3 H 1 2.39 0.03 . 2 . . . . . . . . 4577 1 1100 . 1 1 88 88 PRO HB2 H 1 2.33 0.03 . 2 . . . . . . . . 4577 1 1101 . 1 1 88 88 PRO HG3 H 1 2.24 0.03 . 2 . . . . . . . . 4577 1 1102 . 1 1 88 88 PRO HG2 H 1 1.92 0.03 . 2 . . . . . . . . 4577 1 1103 . 1 1 88 88 PRO HD3 H 1 4.20 0.03 . 2 . . . . . . . . 4577 1 1104 . 1 1 88 88 PRO HD2 H 1 4.10 0.03 . 2 . . . . . . . . 4577 1 1105 . 1 1 88 88 PRO CA C 13 66.03 0.50 . 1 . . . . . . . . 4577 1 1106 . 1 1 88 88 PRO CB C 13 33.01 0.50 . 1 . . . . . . . . 4577 1 1107 . 1 1 88 88 PRO CG C 13 28.05 0.50 . 1 . . . . . . . . 4577 1 1108 . 1 1 88 88 PRO CD C 13 51.32 0.50 . 1 . . . . . . . . 4577 1 1109 . 1 1 89 89 SER H H 1 7.12 0.03 . 1 . . . . . . . . 4577 1 1110 . 1 1 89 89 SER HA H 1 4.07 0.03 . 1 . . . . . . . . 4577 1 1111 . 1 1 89 89 SER HB3 H 1 4.18 0.03 . 2 . . . . . . . . 4577 1 1112 . 1 1 89 89 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4577 1 1113 . 1 1 89 89 SER C C 13 173.52 0.50 . 1 . . . . . . . . 4577 1 1114 . 1 1 89 89 SER CA C 13 57.43 0.50 . 1 . . . . . . . . 4577 1 1115 . 1 1 89 89 SER CB C 13 63.69 0.50 . 1 . . . . . . . . 4577 1 1116 . 1 1 89 89 SER N N 15 104.99 0.25 . 1 . . . . . . . . 4577 1 1117 . 1 1 90 90 TYR H H 1 7.52 0.03 . 1 . . . . . . . . 4577 1 1118 . 1 1 90 90 TYR HA H 1 4.02 0.03 . 1 . . . . . . . . 4577 1 1119 . 1 1 90 90 TYR HB3 H 1 3.03 0.03 . 2 . . . . . . . . 4577 1 1120 . 1 1 90 90 TYR HB2 H 1 2.98 0.03 . 2 . . . . . . . . 4577 1 1121 . 1 1 90 90 TYR HD1 H 1 7.02 0.03 . 2 . . . . . . . . 4577 1 1122 . 1 1 90 90 TYR HE1 H 1 6.91 0.03 . 2 . . . . . . . . 4577 1 1123 . 1 1 90 90 TYR C C 13 173.72 0.50 . 1 . . . . . . . . 4577 1 1124 . 1 1 90 90 TYR CA C 13 59.71 0.50 . 1 . . . . . . . . 4577 1 1125 . 1 1 90 90 TYR CB C 13 39.69 0.50 . 1 . . . . . . . . 4577 1 1126 . 1 1 90 90 TYR CD1 C 13 133.49 0.50 . 2 . . . . . . . . 4577 1 1127 . 1 1 90 90 TYR CE1 C 13 118.77 0.50 . 2 . . . . . . . . 4577 1 1128 . 1 1 90 90 TYR N N 15 124.42 0.25 . 1 . . . . . . . . 4577 1 1129 . 1 1 91 91 ARG H H 1 7.66 0.03 . 1 . . . . . . . . 4577 1 1130 . 1 1 91 91 ARG HA H 1 4.18 0.03 . 1 . . . . . . . . 4577 1 1131 . 1 1 91 91 ARG HB3 H 1 1.65 0.03 . 2 . . . . . . . . 4577 1 1132 . 1 1 91 91 ARG HB2 H 1 1.60 0.03 . 2 . . . . . . . . 4577 1 1133 . 1 1 91 91 ARG HG3 H 1 1.58 0.03 . 2 . . . . . . . . 4577 1 1134 . 1 1 91 91 ARG HG2 H 1 1.34 0.03 . 2 . . . . . . . . 4577 1 1135 . 1 1 91 91 ARG HD3 H 1 3.15 0.03 . 2 . . . . . . . . 4577 1 1136 . 1 1 91 91 ARG HD2 H 1 3.07 0.03 . 2 . . . . . . . . 4577 1 1137 . 1 1 91 91 ARG HE H 1 7.52 0.03 . 1 . . . . . . . . 4577 1 1138 . 1 1 91 91 ARG C C 13 173.85 0.50 . 1 . . . . . . . . 4577 1 1139 . 1 1 91 91 ARG CA C 13 55.38 0.50 . 1 . . . . . . . . 4577 1 1140 . 1 1 91 91 ARG CB C 13 29.93 0.50 . 1 . . . . . . . . 4577 1 1141 . 1 1 91 91 ARG CG C 13 27.02 0.50 . 1 . . . . . . . . 4577 1 1142 . 1 1 91 91 ARG CD C 13 44.32 0.50 . 1 . . . . . . . . 4577 1 1143 . 1 1 91 91 ARG N N 15 129.15 0.25 . 1 . . . . . . . . 4577 1 1144 . 1 1 91 91 ARG NE N 15 85.33 0.25 . 1 . . . . . . . . 4577 1 1145 . 1 1 92 92 VAL H H 1 8.61 0.03 . 1 . . . . . . . . 4577 1 1146 . 1 1 92 92 VAL HA H 1 4.20 0.03 . 1 . . . . . . . . 4577 1 1147 . 1 1 92 92 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 4577 1 1148 . 1 1 92 92 VAL HG11 H 1 1.28 0.03 . 1 . . . . . . . . 4577 1 1149 . 1 1 92 92 VAL HG12 H 1 1.28 0.03 . 1 . . . . . . . . 4577 1 1150 . 1 1 92 92 VAL HG13 H 1 1.28 0.03 . 1 . . . . . . . . 4577 1 1151 . 1 1 92 92 VAL HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4577 1 1152 . 1 1 92 92 VAL HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4577 1 1153 . 1 1 92 92 VAL HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4577 1 1154 . 1 1 92 92 VAL C C 13 175.51 0.50 . 1 . . . . . . . . 4577 1 1155 . 1 1 92 92 VAL CA C 13 62.57 0.50 . 1 . . . . . . . . 4577 1 1156 . 1 1 92 92 VAL CB C 13 31.24 0.50 . 1 . . . . . . . . 4577 1 1157 . 1 1 92 92 VAL CG1 C 13 23.44 0.50 . 1 . . . . . . . . 4577 1 1158 . 1 1 92 92 VAL CG2 C 13 24.01 0.50 . 1 . . . . . . . . 4577 1 1159 . 1 1 92 92 VAL N N 15 130.84 0.25 . 1 . . . . . . . . 4577 1 1160 . 1 1 93 93 LYS H H 1 9.37 0.03 . 1 . . . . . . . . 4577 1 1161 . 1 1 93 93 LYS HA H 1 4.87 0.03 . 1 . . . . . . . . 4577 1 1162 . 1 1 93 93 LYS HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4577 1 1163 . 1 1 93 93 LYS HB2 H 1 1.63 0.03 . 2 . . . . . . . . 4577 1 1164 . 1 1 93 93 LYS HG3 H 1 1.57 0.03 . 2 . . . . . . . . 4577 1 1165 . 1 1 93 93 LYS HD3 H 1 1.72 0.03 . 2 . . . . . . . . 4577 1 1166 . 1 1 93 93 LYS HE3 H 1 2.99 0.03 . 2 . . . . . . . . 4577 1 1167 . 1 1 93 93 LYS C C 13 174.18 0.50 . 1 . . . . . . . . 4577 1 1168 . 1 1 93 93 LYS CA C 13 53.77 0.50 . 1 . . . . . . . . 4577 1 1169 . 1 1 93 93 LYS CB C 13 32.59 0.50 . 1 . . . . . . . . 4577 1 1170 . 1 1 93 93 LYS CG C 13 25.22 0.50 . 1 . . . . . . . . 4577 1 1171 . 1 1 93 93 LYS CD C 13 28.95 0.50 . 1 . . . . . . . . 4577 1 1172 . 1 1 93 93 LYS CE C 13 41.97 0.50 . 1 . . . . . . . . 4577 1 1173 . 1 1 93 93 LYS N N 15 126.93 0.25 . 1 . . . . . . . . 4577 1 1174 . 1 1 94 94 PRO HA H 1 3.99 0.03 . 1 . . . . . . . . 4577 1 1175 . 1 1 94 94 PRO HB3 H 1 1.72 0.03 . 2 . . . . . . . . 4577 1 1176 . 1 1 94 94 PRO HB2 H 1 1.55 0.03 . 2 . . . . . . . . 4577 1 1177 . 1 1 94 94 PRO HG3 H 1 1.94 0.03 . 2 . . . . . . . . 4577 1 1178 . 1 1 94 94 PRO HG2 H 1 0.93 0.03 . 2 . . . . . . . . 4577 1 1179 . 1 1 94 94 PRO HD3 H 1 3.56 0.03 . 2 . . . . . . . . 4577 1 1180 . 1 1 94 94 PRO HD2 H 1 3.53 0.03 . 2 . . . . . . . . 4577 1 1181 . 1 1 94 94 PRO CA C 13 63.52 0.50 . 1 . . . . . . . . 4577 1 1182 . 1 1 94 94 PRO CB C 13 31.12 0.50 . 1 . . . . . . . . 4577 1 1183 . 1 1 94 94 PRO CG C 13 28.21 0.50 . 1 . . . . . . . . 4577 1 1184 . 1 1 94 94 PRO CD C 13 50.25 0.50 . 1 . . . . . . . . 4577 1 1185 . 1 1 95 95 GLY H H 1 9.80 0.03 . 1 . . . . . . . . 4577 1 1186 . 1 1 95 95 GLY HA3 H 1 4.50 0.03 . 2 . . . . . . . . 4577 1 1187 . 1 1 95 95 GLY HA2 H 1 3.57 0.03 . 2 . . . . . . . . 4577 1 1188 . 1 1 95 95 GLY C C 13 175.21 0.50 . 1 . . . . . . . . 4577 1 1189 . 1 1 95 95 GLY CA C 13 44.46 0.50 . 1 . . . . . . . . 4577 1 1190 . 1 1 95 95 GLY N N 15 112.81 0.25 . 1 . . . . . . . . 4577 1 1191 . 1 1 96 96 GLN H H 1 8.19 0.03 . 1 . . . . . . . . 4577 1 1192 . 1 1 96 96 GLN HA H 1 5.08 0.03 . 1 . . . . . . . . 4577 1 1193 . 1 1 96 96 GLN HB3 H 1 2.72 0.03 . 2 . . . . . . . . 4577 1 1194 . 1 1 96 96 GLN HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4577 1 1195 . 1 1 96 96 GLN HG3 H 1 2.68 0.03 . 2 . . . . . . . . 4577 1 1196 . 1 1 96 96 GLN HE21 H 1 7.89 0.03 . 2 . . . . . . . . 4577 1 1197 . 1 1 96 96 GLN HE22 H 1 6.95 0.03 . 2 . . . . . . . . 4577 1 1198 . 1 1 96 96 GLN C C 13 175.52 0.50 . 1 . . . . . . . . 4577 1 1199 . 1 1 96 96 GLN CA C 13 57.53 0.50 . 1 . . . . . . . . 4577 1 1200 . 1 1 96 96 GLN CB C 13 32.08 0.50 . 1 . . . . . . . . 4577 1 1201 . 1 1 96 96 GLN CG C 13 36.49 0.50 . 1 . . . . . . . . 4577 1 1202 . 1 1 96 96 GLN N N 15 118.91 0.25 . 1 . . . . . . . . 4577 1 1203 . 1 1 96 96 GLN NE2 N 15 111.74 0.25 . 1 . . . . . . . . 4577 1 1204 . 1 1 97 97 THR H H 1 8.67 0.03 . 1 . . . . . . . . 4577 1 1205 . 1 1 97 97 THR HA H 1 5.24 0.03 . 1 . . . . . . . . 4577 1 1206 . 1 1 97 97 THR HB H 1 4.12 0.03 . 1 . . . . . . . . 4577 1 1207 . 1 1 97 97 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1208 . 1 1 97 97 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1209 . 1 1 97 97 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1210 . 1 1 97 97 THR C C 13 174.47 0.50 . 1 . . . . . . . . 4577 1 1211 . 1 1 97 97 THR CA C 13 60.65 0.50 . 1 . . . . . . . . 4577 1 1212 . 1 1 97 97 THR CB C 13 71.66 0.50 . 1 . . . . . . . . 4577 1 1213 . 1 1 97 97 THR CG2 C 13 21.80 0.50 . 1 . . . . . . . . 4577 1 1214 . 1 1 97 97 THR N N 15 113.12 0.25 . 1 . . . . . . . . 4577 1 1215 . 1 1 98 98 ILE H H 1 9.30 0.03 . 1 . . . . . . . . 4577 1 1216 . 1 1 98 98 ILE HA H 1 4.94 0.03 . 1 . . . . . . . . 4577 1 1217 . 1 1 98 98 ILE HB H 1 1.56 0.03 . 1 . . . . . . . . 4577 1 1218 . 1 1 98 98 ILE HG13 H 1 1.65 0.03 . 2 . . . . . . . . 4577 1 1219 . 1 1 98 98 ILE HG21 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 1220 . 1 1 98 98 ILE HG22 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 1221 . 1 1 98 98 ILE HG23 H 1 0.76 0.03 . 1 . . . . . . . . 4577 1 1222 . 1 1 98 98 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1223 . 1 1 98 98 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1224 . 1 1 98 98 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1225 . 1 1 98 98 ILE C C 13 174.32 0.50 . 1 . . . . . . . . 4577 1 1226 . 1 1 98 98 ILE CA C 13 60.48 0.50 . 1 . . . . . . . . 4577 1 1227 . 1 1 98 98 ILE CB C 13 41.63 0.50 . 1 . . . . . . . . 4577 1 1228 . 1 1 98 98 ILE CG1 C 13 27.90 0.50 . 1 . . . . . . . . 4577 1 1229 . 1 1 98 98 ILE CG2 C 13 18.30 0.50 . 1 . . . . . . . . 4577 1 1230 . 1 1 98 98 ILE CD1 C 13 16.48 0.50 . 1 . . . . . . . . 4577 1 1231 . 1 1 98 98 ILE N N 15 126.32 0.25 . 1 . . . . . . . . 4577 1 1232 . 1 1 99 99 ALA H H 1 9.37 0.03 . 1 . . . . . . . . 4577 1 1233 . 1 1 99 99 ALA HA H 1 5.64 0.03 . 1 . . . . . . . . 4577 1 1234 . 1 1 99 99 ALA HB1 H 1 1.50 0.03 . 1 . . . . . . . . 4577 1 1235 . 1 1 99 99 ALA HB2 H 1 1.50 0.03 . 1 . . . . . . . . 4577 1 1236 . 1 1 99 99 ALA HB3 H 1 1.50 0.03 . 1 . . . . . . . . 4577 1 1237 . 1 1 99 99 ALA C C 13 176.26 0.50 . 1 . . . . . . . . 4577 1 1238 . 1 1 99 99 ALA CA C 13 50.23 0.50 . 1 . . . . . . . . 4577 1 1239 . 1 1 99 99 ALA CB C 13 24.83 0.50 . 1 . . . . . . . . 4577 1 1240 . 1 1 99 99 ALA N N 15 127.69 0.25 . 1 . . . . . . . . 4577 1 1241 . 1 1 100 100 VAL H H 1 7.73 0.03 . 1 . . . . . . . . 4577 1 1242 . 1 1 100 100 VAL HA H 1 4.58 0.03 . 1 . . . . . . . . 4577 1 1243 . 1 1 100 100 VAL HB H 1 2.03 0.03 . 1 . . . . . . . . 4577 1 1244 . 1 1 100 100 VAL HG11 H 1 1.15 0.03 . 1 . . . . . . . . 4577 1 1245 . 1 1 100 100 VAL HG12 H 1 1.15 0.03 . 1 . . . . . . . . 4577 1 1246 . 1 1 100 100 VAL HG13 H 1 1.15 0.03 . 1 . . . . . . . . 4577 1 1247 . 1 1 100 100 VAL HG21 H 1 1.14 0.03 . 1 . . . . . . . . 4577 1 1248 . 1 1 100 100 VAL HG22 H 1 1.14 0.03 . 1 . . . . . . . . 4577 1 1249 . 1 1 100 100 VAL HG23 H 1 1.14 0.03 . 1 . . . . . . . . 4577 1 1250 . 1 1 100 100 VAL C C 13 176.67 0.50 . 1 . . . . . . . . 4577 1 1251 . 1 1 100 100 VAL CA C 13 61.78 0.50 . 1 . . . . . . . . 4577 1 1252 . 1 1 100 100 VAL CB C 13 32.99 0.50 . 1 . . . . . . . . 4577 1 1253 . 1 1 100 100 VAL CG1 C 13 21.87 0.50 . 1 . . . . . . . . 4577 1 1254 . 1 1 100 100 VAL CG2 C 13 24.34 0.50 . 1 . . . . . . . . 4577 1 1255 . 1 1 100 100 VAL N N 15 119.23 0.25 . 1 . . . . . . . . 4577 1 1256 . 1 1 101 101 ARG H H 1 8.71 0.03 . 1 . . . . . . . . 4577 1 1257 . 1 1 101 101 ARG HA H 1 4.20 0.03 . 1 . . . . . . . . 4577 1 1258 . 1 1 101 101 ARG HB3 H 1 2.06 0.03 . 2 . . . . . . . . 4577 1 1259 . 1 1 101 101 ARG HB2 H 1 1.92 0.03 . 2 . . . . . . . . 4577 1 1260 . 1 1 101 101 ARG HG3 H 1 1.94 0.03 . 2 . . . . . . . . 4577 1 1261 . 1 1 101 101 ARG HG2 H 1 1.73 0.03 . 2 . . . . . . . . 4577 1 1262 . 1 1 101 101 ARG HD3 H 1 3.40 0.03 . 2 . . . . . . . . 4577 1 1263 . 1 1 101 101 ARG HD2 H 1 3.36 0.03 . 2 . . . . . . . . 4577 1 1264 . 1 1 101 101 ARG C C 13 177.34 0.50 . 1 . . . . . . . . 4577 1 1265 . 1 1 101 101 ARG CA C 13 57.18 0.50 . 1 . . . . . . . . 4577 1 1266 . 1 1 101 101 ARG CB C 13 30.65 0.50 . 1 . . . . . . . . 4577 1 1267 . 1 1 101 101 ARG CG C 13 28.05 0.50 . 1 . . . . . . . . 4577 1 1268 . 1 1 101 101 ARG CD C 13 44.27 0.50 . 1 . . . . . . . . 4577 1 1269 . 1 1 101 101 ARG N N 15 128.55 0.25 . 1 . . . . . . . . 4577 1 1270 . 1 1 102 102 GLU H H 1 8.99 0.03 . 1 . . . . . . . . 4577 1 1271 . 1 1 102 102 GLU HA H 1 3.83 0.03 . 1 . . . . . . . . 4577 1 1272 . 1 1 102 102 GLU HB3 H 1 2.17 0.03 . 2 . . . . . . . . 4577 1 1273 . 1 1 102 102 GLU HG3 H 1 2.39 0.03 . 2 . . . . . . . . 4577 1 1274 . 1 1 102 102 GLU HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 1275 . 1 1 102 102 GLU C C 13 179.56 0.50 . 1 . . . . . . . . 4577 1 1276 . 1 1 102 102 GLU CA C 13 61.23 0.50 . 1 . . . . . . . . 4577 1 1277 . 1 1 102 102 GLU CB C 13 29.66 0.50 . 1 . . . . . . . . 4577 1 1278 . 1 1 102 102 GLU CG C 13 36.28 0.50 . 1 . . . . . . . . 4577 1 1279 . 1 1 102 102 GLU N N 15 125.86 0.25 . 1 . . . . . . . . 4577 1 1280 . 1 1 103 103 LYS H H 1 8.49 0.03 . 1 . . . . . . . . 4577 1 1281 . 1 1 103 103 LYS HA H 1 4.30 0.03 . 1 . . . . . . . . 4577 1 1282 . 1 1 103 103 LYS HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4577 1 1283 . 1 1 103 103 LYS HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4577 1 1284 . 1 1 103 103 LYS HG3 H 1 1.67 0.03 . 2 . . . . . . . . 4577 1 1285 . 1 1 103 103 LYS HG2 H 1 1.60 0.03 . 2 . . . . . . . . 4577 1 1286 . 1 1 103 103 LYS HD3 H 1 1.78 0.03 . 2 . . . . . . . . 4577 1 1287 . 1 1 103 103 LYS HE3 H 1 3.09 0.03 . 2 . . . . . . . . 4577 1 1288 . 1 1 103 103 LYS C C 13 177.46 0.50 . 1 . . . . . . . . 4577 1 1289 . 1 1 103 103 LYS CA C 13 58.33 0.50 . 1 . . . . . . . . 4577 1 1290 . 1 1 103 103 LYS CB C 13 32.46 0.50 . 1 . . . . . . . . 4577 1 1291 . 1 1 103 103 LYS CG C 13 25.88 0.50 . 1 . . . . . . . . 4577 1 1292 . 1 1 103 103 LYS CD C 13 29.28 0.50 . 1 . . . . . . . . 4577 1 1293 . 1 1 103 103 LYS CE C 13 42.16 0.50 . 1 . . . . . . . . 4577 1 1294 . 1 1 103 103 LYS N N 15 115.56 0.25 . 1 . . . . . . . . 4577 1 1295 . 1 1 104 104 SER H H 1 8.20 0.03 . 1 . . . . . . . . 4577 1 1296 . 1 1 104 104 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 4577 1 1297 . 1 1 104 104 SER HB2 H 1 4.02 0.03 . 1 . . . . . . . . 4577 1 1298 . 1 1 104 104 SER HB3 H 1 4.19 0.03 . 1 . . . . . . . . 4577 1 1299 . 1 1 104 104 SER C C 13 173.95 0.50 . 1 . . . . . . . . 4577 1 1300 . 1 1 104 104 SER CA C 13 59.45 0.50 . 1 . . . . . . . . 4577 1 1301 . 1 1 104 104 SER CB C 13 62.04 0.50 . 1 . . . . . . . . 4577 1 1302 . 1 1 104 104 SER N N 15 115.36 0.25 . 1 . . . . . . . . 4577 1 1303 . 1 1 105 105 ARG H H 1 7.34 0.03 . 1 . . . . . . . . 4577 1 1304 . 1 1 105 105 ARG HA H 1 3.92 0.03 . 1 . . . . . . . . 4577 1 1305 . 1 1 105 105 ARG HB3 H 1 2.02 0.03 . 2 . . . . . . . . 4577 1 1306 . 1 1 105 105 ARG HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4577 1 1307 . 1 1 105 105 ARG HG3 H 1 1.72 0.03 . 2 . . . . . . . . 4577 1 1308 . 1 1 105 105 ARG HD3 H 1 3.29 0.03 . 2 . . . . . . . . 4577 1 1309 . 1 1 105 105 ARG HE H 1 7.07 0.03 . 1 . . . . . . . . 4577 1 1310 . 1 1 105 105 ARG C C 13 175.26 0.50 . 1 . . . . . . . . 4577 1 1311 . 1 1 105 105 ARG CA C 13 59.53 0.50 . 1 . . . . . . . . 4577 1 1312 . 1 1 105 105 ARG CB C 13 30.79 0.50 . 1 . . . . . . . . 4577 1 1313 . 1 1 105 105 ARG CG C 13 28.47 0.50 . 1 . . . . . . . . 4577 1 1314 . 1 1 105 105 ARG CD C 13 44.18 0.50 . 1 . . . . . . . . 4577 1 1315 . 1 1 105 105 ARG N N 15 117.70 0.25 . 1 . . . . . . . . 4577 1 1316 . 1 1 105 105 ARG NE N 15 84.09 0.25 . 1 . . . . . . . . 4577 1 1317 . 1 1 106 106 ASN H H 1 7.89 0.03 . 1 . . . . . . . . 4577 1 1318 . 1 1 106 106 ASN HA H 1 4.85 0.03 . 1 . . . . . . . . 4577 1 1319 . 1 1 106 106 ASN HB2 H 1 2.73 0.03 . 1 . . . . . . . . 4577 1 1320 . 1 1 106 106 ASN HB3 H 1 2.92 0.03 . 1 . . . . . . . . 4577 1 1321 . 1 1 106 106 ASN HD21 H 1 7.51 0.03 . 2 . . . . . . . . 4577 1 1322 . 1 1 106 106 ASN HD22 H 1 6.87 0.03 . 2 . . . . . . . . 4577 1 1323 . 1 1 106 106 ASN C C 13 175.72 0.50 . 1 . . . . . . . . 4577 1 1324 . 1 1 106 106 ASN CA C 13 52.10 0.50 . 1 . . . . . . . . 4577 1 1325 . 1 1 106 106 ASN CB C 13 39.18 0.50 . 1 . . . . . . . . 4577 1 1326 . 1 1 106 106 ASN CG C 13 177.80 0.50 . 1 . . . . . . . . 4577 1 1327 . 1 1 106 106 ASN N N 15 112.02 0.25 . 1 . . . . . . . . 4577 1 1328 . 1 1 106 106 ASN ND2 N 15 112.63 0.25 . 1 . . . . . . . . 4577 1 1329 . 1 1 107 107 LEU H H 1 7.35 0.03 . 1 . . . . . . . . 4577 1 1330 . 1 1 107 107 LEU HA H 1 4.20 0.03 . 1 . . . . . . . . 4577 1 1331 . 1 1 107 107 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4577 1 1332 . 1 1 107 107 LEU HB3 H 1 1.62 0.03 . 1 . . . . . . . . 4577 1 1333 . 1 1 107 107 LEU HG H 1 1.91 0.03 . 1 . . . . . . . . 4577 1 1334 . 1 1 107 107 LEU HD11 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1335 . 1 1 107 107 LEU HD12 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1336 . 1 1 107 107 LEU HD13 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1337 . 1 1 107 107 LEU HD21 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1338 . 1 1 107 107 LEU HD22 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1339 . 1 1 107 107 LEU HD23 H 1 0.78 0.03 . 1 . . . . . . . . 4577 1 1340 . 1 1 107 107 LEU C C 13 178.78 0.50 . 1 . . . . . . . . 4577 1 1341 . 1 1 107 107 LEU CA C 13 56.02 0.50 . 1 . . . . . . . . 4577 1 1342 . 1 1 107 107 LEU CB C 13 42.72 0.50 . 1 . . . . . . . . 4577 1 1343 . 1 1 107 107 LEU CG C 13 27.10 0.50 . 1 . . . . . . . . 4577 1 1344 . 1 1 107 107 LEU CD1 C 13 24.46 0.50 . 1 . . . . . . . . 4577 1 1345 . 1 1 107 107 LEU CD2 C 13 23.35 0.50 . 1 . . . . . . . . 4577 1 1346 . 1 1 107 107 LEU N N 15 121.13 0.25 . 1 . . . . . . . . 4577 1 1347 . 1 1 108 108 GLN H H 1 8.85 0.03 . 1 . . . . . . . . 4577 1 1348 . 1 1 108 108 GLN HA H 1 3.95 0.03 . 1 . . . . . . . . 4577 1 1349 . 1 1 108 108 GLN HB3 H 1 2.25 0.03 . 2 . . . . . . . . 4577 1 1350 . 1 1 108 108 GLN HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4577 1 1351 . 1 1 108 108 GLN HG3 H 1 2.47 0.03 . 2 . . . . . . . . 4577 1 1352 . 1 1 108 108 GLN HE21 H 1 7.77 0.03 . 2 . . . . . . . . 4577 1 1353 . 1 1 108 108 GLN HE22 H 1 6.83 0.03 . 2 . . . . . . . . 4577 1 1354 . 1 1 108 108 GLN C C 13 177.86 0.50 . 1 . . . . . . . . 4577 1 1355 . 1 1 108 108 GLN CA C 13 59.81 0.50 . 1 . . . . . . . . 4577 1 1356 . 1 1 108 108 GLN CB C 13 28.09 0.50 . 1 . . . . . . . . 4577 1 1357 . 1 1 108 108 GLN CG C 13 33.38 0.50 . 1 . . . . . . . . 4577 1 1358 . 1 1 108 108 GLN CD C 13 180.06 0.50 . 1 . . . . . . . . 4577 1 1359 . 1 1 108 108 GLN N N 15 127.15 0.25 . 1 . . . . . . . . 4577 1 1360 . 1 1 108 108 GLN NE2 N 15 111.93 0.25 . 1 . . . . . . . . 4577 1 1361 . 1 1 109 109 VAL H H 1 8.10 0.03 . 1 . . . . . . . . 4577 1 1362 . 1 1 109 109 VAL HA H 1 4.00 0.03 . 1 . . . . . . . . 4577 1 1363 . 1 1 109 109 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 4577 1 1364 . 1 1 109 109 VAL HG11 H 1 1.06 0.03 . 2 . . . . . . . . 4577 1 1365 . 1 1 109 109 VAL HG12 H 1 1.06 0.03 . 2 . . . . . . . . 4577 1 1366 . 1 1 109 109 VAL HG13 H 1 1.06 0.03 . 2 . . . . . . . . 4577 1 1367 . 1 1 109 109 VAL C C 13 177.99 0.50 . 1 . . . . . . . . 4577 1 1368 . 1 1 109 109 VAL CA C 13 65.16 0.50 . 1 . . . . . . . . 4577 1 1369 . 1 1 109 109 VAL CB C 13 31.95 0.50 . 1 . . . . . . . . 4577 1 1370 . 1 1 109 109 VAL CG1 C 13 21.22 0.50 . 2 . . . . . . . . 4577 1 1371 . 1 1 109 109 VAL N N 15 113.11 0.25 . 1 . . . . . . . . 4577 1 1372 . 1 1 110 110 ILE H H 1 6.70 0.03 . 1 . . . . . . . . 4577 1 1373 . 1 1 110 110 ILE HA H 1 4.15 0.03 . 1 . . . . . . . . 4577 1 1374 . 1 1 110 110 ILE HB H 1 1.92 0.03 . 1 . . . . . . . . 4577 1 1375 . 1 1 110 110 ILE HG13 H 1 1.63 0.03 . 2 . . . . . . . . 4577 1 1376 . 1 1 110 110 ILE HG12 H 1 1.35 0.03 . 2 . . . . . . . . 4577 1 1377 . 1 1 110 110 ILE HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 1378 . 1 1 110 110 ILE HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 1379 . 1 1 110 110 ILE HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4577 1 1380 . 1 1 110 110 ILE HD11 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 1381 . 1 1 110 110 ILE HD12 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 1382 . 1 1 110 110 ILE HD13 H 1 0.96 0.03 . 1 . . . . . . . . 4577 1 1383 . 1 1 110 110 ILE C C 13 177.34 0.50 . 1 . . . . . . . . 4577 1 1384 . 1 1 110 110 ILE CA C 13 64.04 0.50 . 1 . . . . . . . . 4577 1 1385 . 1 1 110 110 ILE CB C 13 38.53 0.50 . 1 . . . . . . . . 4577 1 1386 . 1 1 110 110 ILE CG1 C 13 28.74 0.50 . 1 . . . . . . . . 4577 1 1387 . 1 1 110 110 ILE CG2 C 13 17.83 0.50 . 1 . . . . . . . . 4577 1 1388 . 1 1 110 110 ILE CD1 C 13 13.91 0.50 . 1 . . . . . . . . 4577 1 1389 . 1 1 110 110 ILE N N 15 120.88 0.25 . 1 . . . . . . . . 4577 1 1390 . 1 1 111 111 LYS H H 1 7.80 0.03 . 1 . . . . . . . . 4577 1 1391 . 1 1 111 111 LYS HA H 1 3.92 0.03 . 1 . . . . . . . . 4577 1 1392 . 1 1 111 111 LYS HB3 H 1 1.88 0.03 . 2 . . . . . . . . 4577 1 1393 . 1 1 111 111 LYS HG3 H 1 1.59 0.03 . 2 . . . . . . . . 4577 1 1394 . 1 1 111 111 LYS HG2 H 1 1.46 0.03 . 2 . . . . . . . . 4577 1 1395 . 1 1 111 111 LYS HD3 H 1 1.73 0.03 . 2 . . . . . . . . 4577 1 1396 . 1 1 111 111 LYS HE3 H 1 3.05 0.03 . 2 . . . . . . . . 4577 1 1397 . 1 1 111 111 LYS C C 13 179.86 0.50 . 1 . . . . . . . . 4577 1 1398 . 1 1 111 111 LYS CA C 13 60.19 0.50 . 1 . . . . . . . . 4577 1 1399 . 1 1 111 111 LYS CB C 13 32.19 0.50 . 1 . . . . . . . . 4577 1 1400 . 1 1 111 111 LYS CG C 13 24.71 0.50 . 1 . . . . . . . . 4577 1 1401 . 1 1 111 111 LYS CD C 13 29.24 0.50 . 1 . . . . . . . . 4577 1 1402 . 1 1 111 111 LYS CE C 13 41.78 0.50 . 1 . . . . . . . . 4577 1 1403 . 1 1 111 111 LYS N N 15 119.26 0.25 . 1 . . . . . . . . 4577 1 1404 . 1 1 112 112 GLU H H 1 8.52 0.03 . 1 . . . . . . . . 4577 1 1405 . 1 1 112 112 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4577 1 1406 . 1 1 112 112 GLU HB3 H 1 2.10 0.03 . 2 . . . . . . . . 4577 1 1407 . 1 1 112 112 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4577 1 1408 . 1 1 112 112 GLU HG3 H 1 2.52 0.03 . 2 . . . . . . . . 4577 1 1409 . 1 1 112 112 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4577 1 1410 . 1 1 112 112 GLU C C 13 179.15 0.50 . 1 . . . . . . . . 4577 1 1411 . 1 1 112 112 GLU CA C 13 58.99 0.50 . 1 . . . . . . . . 4577 1 1412 . 1 1 112 112 GLU CB C 13 29.73 0.50 . 1 . . . . . . . . 4577 1 1413 . 1 1 112 112 GLU CG C 13 36.96 0.50 . 1 . . . . . . . . 4577 1 1414 . 1 1 112 112 GLU N N 15 115.61 0.25 . 1 . . . . . . . . 4577 1 1415 . 1 1 113 113 ALA H H 1 7.37 0.03 . 1 . . . . . . . . 4577 1 1416 . 1 1 113 113 ALA HA H 1 3.96 0.03 . 1 . . . . . . . . 4577 1 1417 . 1 1 113 113 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 1418 . 1 1 113 113 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 1419 . 1 1 113 113 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 4577 1 1420 . 1 1 113 113 ALA C C 13 180.26 0.50 . 1 . . . . . . . . 4577 1 1421 . 1 1 113 113 ALA CA C 13 55.44 0.50 . 1 . . . . . . . . 4577 1 1422 . 1 1 113 113 ALA CB C 13 18.22 0.50 . 1 . . . . . . . . 4577 1 1423 . 1 1 113 113 ALA N N 15 123.38 0.25 . 1 . . . . . . . . 4577 1 1424 . 1 1 114 114 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 4577 1 1425 . 1 1 114 114 LEU HA H 1 4.19 0.03 . 1 . . . . . . . . 4577 1 1426 . 1 1 114 114 LEU HB2 H 1 1.92 0.03 . 1 . . . . . . . . 4577 1 1427 . 1 1 114 114 LEU HB3 H 1 1.58 0.03 . 1 . . . . . . . . 4577 1 1428 . 1 1 114 114 LEU HG H 1 1.91 0.03 . 1 . . . . . . . . 4577 1 1429 . 1 1 114 114 LEU HD11 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1430 . 1 1 114 114 LEU HD12 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1431 . 1 1 114 114 LEU HD13 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1432 . 1 1 114 114 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 1433 . 1 1 114 114 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 1434 . 1 1 114 114 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4577 1 1435 . 1 1 114 114 LEU C C 13 180.34 0.50 . 1 . . . . . . . . 4577 1 1436 . 1 1 114 114 LEU CA C 13 57.50 0.50 . 1 . . . . . . . . 4577 1 1437 . 1 1 114 114 LEU CB C 13 42.65 0.50 . 1 . . . . . . . . 4577 1 1438 . 1 1 114 114 LEU CG C 13 27.21 0.50 . 1 . . . . . . . . 4577 1 1439 . 1 1 114 114 LEU CD1 C 13 26.54 0.50 . 1 . . . . . . . . 4577 1 1440 . 1 1 114 114 LEU CD2 C 13 23.94 0.50 . 1 . . . . . . . . 4577 1 1441 . 1 1 114 114 LEU N N 15 119.20 0.25 . 1 . . . . . . . . 4577 1 1442 . 1 1 115 115 GLU H H 1 7.70 0.03 . 1 . . . . . . . . 4577 1 1443 . 1 1 115 115 GLU HA H 1 4.15 0.03 . 1 . . . . . . . . 4577 1 1444 . 1 1 115 115 GLU HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4577 1 1445 . 1 1 115 115 GLU HG3 H 1 2.55 0.03 . 2 . . . . . . . . 4577 1 1446 . 1 1 115 115 GLU HG2 H 1 2.39 0.03 . 2 . . . . . . . . 4577 1 1447 . 1 1 115 115 GLU C C 13 177.27 0.50 . 1 . . . . . . . . 4577 1 1448 . 1 1 115 115 GLU CA C 13 57.97 0.50 . 1 . . . . . . . . 4577 1 1449 . 1 1 115 115 GLU CB C 13 29.80 0.50 . 1 . . . . . . . . 4577 1 1450 . 1 1 115 115 GLU CG C 13 36.26 0.50 . 1 . . . . . . . . 4577 1 1451 . 1 1 115 115 GLU N N 15 117.21 0.25 . 1 . . . . . . . . 4577 1 1452 . 1 1 116 116 ALA H H 1 7.35 0.03 . 1 . . . . . . . . 4577 1 1453 . 1 1 116 116 ALA HA H 1 4.34 0.03 . 1 . . . . . . . . 4577 1 1454 . 1 1 116 116 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 4577 1 1455 . 1 1 116 116 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 4577 1 1456 . 1 1 116 116 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 4577 1 1457 . 1 1 116 116 ALA C C 13 177.47 0.50 . 1 . . . . . . . . 4577 1 1458 . 1 1 116 116 ALA CA C 13 52.62 0.50 . 1 . . . . . . . . 4577 1 1459 . 1 1 116 116 ALA CB C 13 19.44 0.50 . 1 . . . . . . . . 4577 1 1460 . 1 1 116 116 ALA N N 15 120.00 0.25 . 1 . . . . . . . . 4577 1 1461 . 1 1 117 117 ASN H H 1 7.79 0.03 . 1 . . . . . . . . 4577 1 1462 . 1 1 117 117 ASN HA H 1 4.63 0.03 . 1 . . . . . . . . 4577 1 1463 . 1 1 117 117 ASN HB3 H 1 2.87 0.03 . 2 . . . . . . . . 4577 1 1464 . 1 1 117 117 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 4577 1 1465 . 1 1 117 117 ASN HD21 H 1 7.61 0.03 . 2 . . . . . . . . 4577 1 1466 . 1 1 117 117 ASN HD22 H 1 6.55 0.03 . 2 . . . . . . . . 4577 1 1467 . 1 1 117 117 ASN C C 13 174.86 0.50 . 1 . . . . . . . . 4577 1 1468 . 1 1 117 117 ASN CA C 13 54.24 0.50 . 1 . . . . . . . . 4577 1 1469 . 1 1 117 117 ASN CB C 13 39.38 0.50 . 1 . . . . . . . . 4577 1 1470 . 1 1 117 117 ASN CG C 13 176.79 0.50 . 1 . . . . . . . . 4577 1 1471 . 1 1 117 117 ASN N N 15 116.92 0.25 . 1 . . . . . . . . 4577 1 1472 . 1 1 117 117 ASN ND2 N 15 113.09 0.25 . 1 . . . . . . . . 4577 1 1473 . 1 1 118 118 ASN H H 1 8.41 0.03 . 1 . . . . . . . . 4577 1 1474 . 1 1 118 118 ASN HA H 1 4.80 0.03 . 1 . . . . . . . . 4577 1 1475 . 1 1 118 118 ASN HB3 H 1 2.72 0.03 . 2 . . . . . . . . 4577 1 1476 . 1 1 118 118 ASN HD21 H 1 7.41 0.03 . 2 . . . . . . . . 4577 1 1477 . 1 1 118 118 ASN HD22 H 1 6.75 0.03 . 2 . . . . . . . . 4577 1 1478 . 1 1 118 118 ASN C C 13 174.69 0.50 . 1 . . . . . . . . 4577 1 1479 . 1 1 118 118 ASN CA C 13 53.30 0.50 . 1 . . . . . . . . 4577 1 1480 . 1 1 118 118 ASN CB C 13 40.25 0.50 . 1 . . . . . . . . 4577 1 1481 . 1 1 118 118 ASN CG C 13 176.84 0.50 . 1 . . . . . . . . 4577 1 1482 . 1 1 118 118 ASN N N 15 120.34 0.25 . 1 . . . . . . . . 4577 1 1483 . 1 1 118 118 ASN ND2 N 15 112.89 0.25 . 1 . . . . . . . . 4577 1 1484 . 1 1 119 119 TYR H H 1 7.84 0.03 . 1 . . . . . . . . 4577 1 1485 . 1 1 119 119 TYR HA H 1 4.62 0.03 . 1 . . . . . . . . 4577 1 1486 . 1 1 119 119 TYR HB3 H 1 3.04 0.03 . 2 . . . . . . . . 4577 1 1487 . 1 1 119 119 TYR HB2 H 1 2.81 0.03 . 2 . . . . . . . . 4577 1 1488 . 1 1 119 119 TYR HD1 H 1 7.04 0.03 . 2 . . . . . . . . 4577 1 1489 . 1 1 119 119 TYR HE1 H 1 6.81 0.03 . 2 . . . . . . . . 4577 1 1490 . 1 1 119 119 TYR C C 13 174.00 0.50 . 1 . . . . . . . . 4577 1 1491 . 1 1 119 119 TYR CA C 13 58.10 0.50 . 1 . . . . . . . . 4577 1 1492 . 1 1 119 119 TYR CB C 13 39.82 0.50 . 1 . . . . . . . . 4577 1 1493 . 1 1 119 119 TYR CD1 C 13 133.30 0.50 . 2 . . . . . . . . 4577 1 1494 . 1 1 119 119 TYR CE1 C 13 118.20 0.50 . 2 . . . . . . . . 4577 1 1495 . 1 1 119 119 TYR N N 15 120.35 0.25 . 1 . . . . . . . . 4577 1 1496 . 1 1 120 120 ILE H H 1 7.87 0.03 . 1 . . . . . . . . 4577 1 1497 . 1 1 120 120 ILE HA H 1 4.33 0.03 . 1 . . . . . . . . 4577 1 1498 . 1 1 120 120 ILE HB H 1 1.60 0.03 . 1 . . . . . . . . 4577 1 1499 . 1 1 120 120 ILE HG13 H 1 1.43 0.03 . 2 . . . . . . . . 4577 1 1500 . 1 1 120 120 ILE HG12 H 1 0.97 0.03 . 2 . . . . . . . . 4577 1 1501 . 1 1 120 120 ILE HG21 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 1502 . 1 1 120 120 ILE HG22 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 1503 . 1 1 120 120 ILE HG23 H 1 0.81 0.03 . 1 . . . . . . . . 4577 1 1504 . 1 1 120 120 ILE HD11 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1505 . 1 1 120 120 ILE HD12 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1506 . 1 1 120 120 ILE HD13 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1507 . 1 1 120 120 ILE C C 13 173.52 0.50 . 1 . . . . . . . . 4577 1 1508 . 1 1 120 120 ILE CA C 13 58.18 0.50 . 1 . . . . . . . . 4577 1 1509 . 1 1 120 120 ILE CB C 13 40.28 0.50 . 1 . . . . . . . . 4577 1 1510 . 1 1 120 120 ILE CG1 C 13 26.87 0.50 . 1 . . . . . . . . 4577 1 1511 . 1 1 120 120 ILE CG2 C 13 17.56 0.50 . 1 . . . . . . . . 4577 1 1512 . 1 1 120 120 ILE CD1 C 13 13.88 0.50 . 1 . . . . . . . . 4577 1 1513 . 1 1 120 120 ILE N N 15 127.77 0.25 . 1 . . . . . . . . 4577 1 1514 . 1 1 121 121 PRO HA H 1 4.23 0.03 . 1 . . . . . . . . 4577 1 1515 . 1 1 121 121 PRO HB3 H 1 2.23 0.03 . 2 . . . . . . . . 4577 1 1516 . 1 1 121 121 PRO HB2 H 1 0.94 0.03 . 2 . . . . . . . . 4577 1 1517 . 1 1 121 121 PRO HG3 H 1 1.86 0.03 . 2 . . . . . . . . 4577 1 1518 . 1 1 121 121 PRO HG2 H 1 1.28 0.03 . 2 . . . . . . . . 4577 1 1519 . 1 1 121 121 PRO HD3 H 1 3.69 0.03 . 2 . . . . . . . . 4577 1 1520 . 1 1 121 121 PRO HD2 H 1 3.25 0.03 . 2 . . . . . . . . 4577 1 1521 . 1 1 121 121 PRO CA C 13 62.20 0.50 . 1 . . . . . . . . 4577 1 1522 . 1 1 121 121 PRO CB C 13 33.07 0.50 . 1 . . . . . . . . 4577 1 1523 . 1 1 121 121 PRO CG C 13 27.80 0.50 . 1 . . . . . . . . 4577 1 1524 . 1 1 121 121 PRO CD C 13 50.63 0.50 . 1 . . . . . . . . 4577 1 1525 . 1 1 122 122 ASP H H 1 8.58 0.03 . 1 . . . . . . . . 4577 1 1526 . 1 1 122 122 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 4577 1 1527 . 1 1 122 122 ASP HB2 H 1 2.68 0.03 . 1 . . . . . . . . 4577 1 1528 . 1 1 122 122 ASP HB3 H 1 2.78 0.03 . 1 . . . . . . . . 4577 1 1529 . 1 1 122 122 ASP C C 13 175.54 0.50 . 1 . . . . . . . . 4577 1 1530 . 1 1 122 122 ASP CA C 13 57.07 0.50 . 1 . . . . . . . . 4577 1 1531 . 1 1 122 122 ASP CB C 13 41.65 0.50 . 1 . . . . . . . . 4577 1 1532 . 1 1 122 122 ASP N N 15 116.00 0.25 . 1 . . . . . . . . 4577 1 1533 . 1 1 123 123 TYR H H 1 6.39 0.03 . 1 . . . . . . . . 4577 1 1534 . 1 1 123 123 TYR HA H 1 4.56 0.03 . 1 . . . . . . . . 4577 1 1535 . 1 1 123 123 TYR HB3 H 1 2.47 0.03 . 2 . . . . . . . . 4577 1 1536 . 1 1 123 123 TYR HD1 H 1 7.33 0.03 . 2 . . . . . . . . 4577 1 1537 . 1 1 123 123 TYR HE1 H 1 6.83 0.03 . 2 . . . . . . . . 4577 1 1538 . 1 1 123 123 TYR C C 13 173.29 0.50 . 1 . . . . . . . . 4577 1 1539 . 1 1 123 123 TYR CA C 13 55.67 0.50 . 1 . . . . . . . . 4577 1 1540 . 1 1 123 123 TYR CB C 13 36.46 0.50 . 1 . . . . . . . . 4577 1 1541 . 1 1 123 123 TYR CD1 C 13 134.25 0.50 . 2 . . . . . . . . 4577 1 1542 . 1 1 123 123 TYR CE1 C 13 119.62 0.50 . 2 . . . . . . . . 4577 1 1543 . 1 1 123 123 TYR N N 15 110.97 0.25 . 1 . . . . . . . . 4577 1 1544 . 1 1 124 124 LEU H H 1 7.69 0.03 . 1 . . . . . . . . 4577 1 1545 . 1 1 124 124 LEU HA H 1 5.59 0.03 . 1 . . . . . . . . 4577 1 1546 . 1 1 124 124 LEU HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4577 1 1547 . 1 1 124 124 LEU HB3 H 1 1.27 0.03 . 1 . . . . . . . . 4577 1 1548 . 1 1 124 124 LEU HG H 1 1.60 0.03 . 1 . . . . . . . . 4577 1 1549 . 1 1 124 124 LEU HD11 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1550 . 1 1 124 124 LEU HD12 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1551 . 1 1 124 124 LEU HD13 H 1 0.69 0.03 . 1 . . . . . . . . 4577 1 1552 . 1 1 124 124 LEU HD21 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1553 . 1 1 124 124 LEU HD22 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1554 . 1 1 124 124 LEU HD23 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1555 . 1 1 124 124 LEU C C 13 175.36 0.50 . 1 . . . . . . . . 4577 1 1556 . 1 1 124 124 LEU CA C 13 53.71 0.50 . 1 . . . . . . . . 4577 1 1557 . 1 1 124 124 LEU CB C 13 46.30 0.50 . 1 . . . . . . . . 4577 1 1558 . 1 1 124 124 LEU CG C 13 26.89 0.50 . 1 . . . . . . . . 4577 1 1559 . 1 1 124 124 LEU CD1 C 13 26.86 0.50 . 1 . . . . . . . . 4577 1 1560 . 1 1 124 124 LEU CD2 C 13 23.45 0.50 . 1 . . . . . . . . 4577 1 1561 . 1 1 124 124 LEU N N 15 121.64 0.25 . 1 . . . . . . . . 4577 1 1562 . 1 1 125 125 SER H H 1 8.53 0.03 . 1 . . . . . . . . 4577 1 1563 . 1 1 125 125 SER HA H 1 4.85 0.03 . 1 . . . . . . . . 4577 1 1564 . 1 1 125 125 SER HB3 H 1 3.84 0.03 . 2 . . . . . . . . 4577 1 1565 . 1 1 125 125 SER HB2 H 1 3.77 0.03 . 2 . . . . . . . . 4577 1 1566 . 1 1 125 125 SER C C 13 173.74 0.50 . 1 . . . . . . . . 4577 1 1567 . 1 1 125 125 SER CA C 13 56.54 0.50 . 1 . . . . . . . . 4577 1 1568 . 1 1 125 125 SER CB C 13 65.29 0.50 . 1 . . . . . . . . 4577 1 1569 . 1 1 125 125 SER N N 15 113.98 0.25 . 1 . . . . . . . . 4577 1 1570 . 1 1 126 126 PHE H H 1 8.98 0.03 . 1 . . . . . . . . 4577 1 1571 . 1 1 126 126 PHE HA H 1 5.29 0.03 . 1 . . . . . . . . 4577 1 1572 . 1 1 126 126 PHE HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4577 1 1573 . 1 1 126 126 PHE HB2 H 1 2.88 0.03 . 2 . . . . . . . . 4577 1 1574 . 1 1 126 126 PHE HD1 H 1 7.07 0.03 . 2 . . . . . . . . 4577 1 1575 . 1 1 126 126 PHE C C 13 173.03 0.50 . 1 . . . . . . . . 4577 1 1576 . 1 1 126 126 PHE CA C 13 57.20 0.50 . 1 . . . . . . . . 4577 1 1577 . 1 1 126 126 PHE CB C 13 43.41 0.50 . 1 . . . . . . . . 4577 1 1578 . 1 1 126 126 PHE CD1 C 13 131.97 0.50 . 2 . . . . . . . . 4577 1 1579 . 1 1 126 126 PHE N N 15 124.12 0.25 . 1 . . . . . . . . 4577 1 1580 . 1 1 127 127 ASP H H 1 8.13 0.03 . 1 . . . . . . . . 4577 1 1581 . 1 1 127 127 ASP HA H 1 5.09 0.03 . 1 . . . . . . . . 4577 1 1582 . 1 1 127 127 ASP HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4577 1 1583 . 1 1 127 127 ASP HB2 H 1 2.51 0.03 . 2 . . . . . . . . 4577 1 1584 . 1 1 127 127 ASP C C 13 174.83 0.50 . 1 . . . . . . . . 4577 1 1585 . 1 1 127 127 ASP CA C 13 49.66 0.50 . 1 . . . . . . . . 4577 1 1586 . 1 1 127 127 ASP CB C 13 42.61 0.50 . 1 . . . . . . . . 4577 1 1587 . 1 1 127 127 ASP N N 15 127.43 0.25 . 1 . . . . . . . . 4577 1 1588 . 1 1 128 128 PRO HA H 1 3.92 0.03 . 1 . . . . . . . . 4577 1 1589 . 1 1 128 128 PRO HB3 H 1 2.44 0.03 . 2 . . . . . . . . 4577 1 1590 . 1 1 128 128 PRO HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4577 1 1591 . 1 1 128 128 PRO HG3 H 1 2.15 0.03 . 2 . . . . . . . . 4577 1 1592 . 1 1 128 128 PRO HG2 H 1 2.11 0.03 . 2 . . . . . . . . 4577 1 1593 . 1 1 128 128 PRO HD3 H 1 3.98 0.03 . 2 . . . . . . . . 4577 1 1594 . 1 1 128 128 PRO HD2 H 1 3.74 0.03 . 2 . . . . . . . . 4577 1 1595 . 1 1 128 128 PRO CA C 13 63.96 0.50 . 1 . . . . . . . . 4577 1 1596 . 1 1 128 128 PRO CB C 13 32.37 0.50 . 1 . . . . . . . . 4577 1 1597 . 1 1 128 128 PRO CG C 13 26.87 0.50 . 1 . . . . . . . . 4577 1 1598 . 1 1 128 128 PRO CD C 13 51.31 0.50 . 1 . . . . . . . . 4577 1 1599 . 1 1 129 129 GLU H H 1 7.92 0.03 . 1 . . . . . . . . 4577 1 1600 . 1 1 129 129 GLU HA H 1 4.15 0.03 . 1 . . . . . . . . 4577 1 1601 . 1 1 129 129 GLU HB3 H 1 2.12 0.03 . 2 . . . . . . . . 4577 1 1602 . 1 1 129 129 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 1603 . 1 1 129 129 GLU HG2 H 1 2.26 0.03 . 2 . . . . . . . . 4577 1 1604 . 1 1 129 129 GLU C C 13 178.42 0.50 . 1 . . . . . . . . 4577 1 1605 . 1 1 129 129 GLU CA C 13 58.74 0.50 . 1 . . . . . . . . 4577 1 1606 . 1 1 129 129 GLU CB C 13 29.53 0.50 . 1 . . . . . . . . 4577 1 1607 . 1 1 129 129 GLU CG C 13 36.56 0.50 . 1 . . . . . . . . 4577 1 1608 . 1 1 129 129 GLU N N 15 117.79 0.25 . 1 . . . . . . . . 4577 1 1609 . 1 1 130 130 LYS H H 1 7.12 0.03 . 1 . . . . . . . . 4577 1 1610 . 1 1 130 130 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 4577 1 1611 . 1 1 130 130 LYS HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4577 1 1612 . 1 1 130 130 LYS HB3 H 1 1.85 0.03 . 1 . . . . . . . . 4577 1 1613 . 1 1 130 130 LYS HG3 H 1 1.45 0.03 . 2 . . . . . . . . 4577 1 1614 . 1 1 130 130 LYS HG2 H 1 1.31 0.03 . 2 . . . . . . . . 4577 1 1615 . 1 1 130 130 LYS HD3 H 1 1.61 0.03 . 2 . . . . . . . . 4577 1 1616 . 1 1 130 130 LYS HE3 H 1 2.95 0.03 . 2 . . . . . . . . 4577 1 1617 . 1 1 130 130 LYS C C 13 175.52 0.50 . 1 . . . . . . . . 4577 1 1618 . 1 1 130 130 LYS CA C 13 56.29 0.50 . 1 . . . . . . . . 4577 1 1619 . 1 1 130 130 LYS CB C 13 34.13 0.50 . 1 . . . . . . . . 4577 1 1620 . 1 1 130 130 LYS CG C 13 25.80 0.50 . 1 . . . . . . . . 4577 1 1621 . 1 1 130 130 LYS CD C 13 29.28 0.50 . 1 . . . . . . . . 4577 1 1622 . 1 1 130 130 LYS CE C 13 42.05 0.50 . 1 . . . . . . . . 4577 1 1623 . 1 1 130 130 LYS N N 15 116.19 0.25 . 1 . . . . . . . . 4577 1 1624 . 1 1 131 131 MET H H 1 7.91 0.03 . 1 . . . . . . . . 4577 1 1625 . 1 1 131 131 MET HA H 1 3.63 0.03 . 1 . . . . . . . . 4577 1 1626 . 1 1 131 131 MET HB3 H 1 2.34 0.03 . 2 . . . . . . . . 4577 1 1627 . 1 1 131 131 MET HB2 H 1 2.15 0.03 . 2 . . . . . . . . 4577 1 1628 . 1 1 131 131 MET HG3 H 1 2.52 0.03 . 2 . . . . . . . . 4577 1 1629 . 1 1 131 131 MET HE1 H 1 2.20 0.03 . 1 . . . . . . . . 4577 1 1630 . 1 1 131 131 MET HE2 H 1 2.20 0.03 . 1 . . . . . . . . 4577 1 1631 . 1 1 131 131 MET HE3 H 1 2.20 0.03 . 1 . . . . . . . . 4577 1 1632 . 1 1 131 131 MET C C 13 173.03 0.50 . 1 . . . . . . . . 4577 1 1633 . 1 1 131 131 MET CA C 13 56.89 0.50 . 1 . . . . . . . . 4577 1 1634 . 1 1 131 131 MET CB C 13 29.97 0.50 . 1 . . . . . . . . 4577 1 1635 . 1 1 131 131 MET CG C 13 33.90 0.50 . 1 . . . . . . . . 4577 1 1636 . 1 1 131 131 MET CE C 13 18.30 0.50 . 1 . . . . . . . . 4577 1 1637 . 1 1 131 131 MET N N 15 115.31 0.25 . 1 . . . . . . . . 4577 1 1638 . 1 1 132 132 GLU H H 1 6.91 0.03 . 1 . . . . . . . . 4577 1 1639 . 1 1 132 132 GLU HA H 1 5.47 0.03 . 1 . . . . . . . . 4577 1 1640 . 1 1 132 132 GLU HB3 H 1 1.83 0.03 . 2 . . . . . . . . 4577 1 1641 . 1 1 132 132 GLU HG3 H 1 2.20 0.03 . 2 . . . . . . . . 4577 1 1642 . 1 1 132 132 GLU HG2 H 1 2.13 0.03 . 2 . . . . . . . . 4577 1 1643 . 1 1 132 132 GLU C C 13 175.26 0.50 . 1 . . . . . . . . 4577 1 1644 . 1 1 132 132 GLU CA C 13 54.15 0.50 . 1 . . . . . . . . 4577 1 1645 . 1 1 132 132 GLU CB C 13 35.03 0.50 . 1 . . . . . . . . 4577 1 1646 . 1 1 132 132 GLU CG C 13 36.44 0.50 . 1 . . . . . . . . 4577 1 1647 . 1 1 132 132 GLU N N 15 113.93 0.25 . 1 . . . . . . . . 4577 1 1648 . 1 1 133 133 GLY H H 1 10.14 0.03 . 1 . . . . . . . . 4577 1 1649 . 1 1 133 133 GLY HA3 H 1 5.60 0.03 . 2 . . . . . . . . 4577 1 1650 . 1 1 133 133 GLY HA2 H 1 3.99 0.03 . 2 . . . . . . . . 4577 1 1651 . 1 1 133 133 GLY C C 13 171.86 0.50 . 1 . . . . . . . . 4577 1 1652 . 1 1 133 133 GLY CA C 13 45.36 0.50 . 1 . . . . . . . . 4577 1 1653 . 1 1 133 133 GLY N N 15 112.91 0.25 . 1 . . . . . . . . 4577 1 1654 . 1 1 134 134 THR H H 1 8.89 0.03 . 1 . . . . . . . . 4577 1 1655 . 1 1 134 134 THR HA H 1 5.13 0.03 . 1 . . . . . . . . 4577 1 1656 . 1 1 134 134 THR HB H 1 3.87 0.03 . 1 . . . . . . . . 4577 1 1657 . 1 1 134 134 THR HG21 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1658 . 1 1 134 134 THR HG22 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1659 . 1 1 134 134 THR HG23 H 1 1.03 0.03 . 1 . . . . . . . . 4577 1 1660 . 1 1 134 134 THR C C 13 173.04 0.50 . 1 . . . . . . . . 4577 1 1661 . 1 1 134 134 THR CA C 13 61.85 0.50 . 1 . . . . . . . . 4577 1 1662 . 1 1 134 134 THR CB C 13 71.55 0.50 . 1 . . . . . . . . 4577 1 1663 . 1 1 134 134 THR CG2 C 13 21.06 0.50 . 1 . . . . . . . . 4577 1 1664 . 1 1 134 134 THR N N 15 116.92 0.25 . 1 . . . . . . . . 4577 1 1665 . 1 1 135 135 TYR H H 1 8.21 0.03 . 1 . . . . . . . . 4577 1 1666 . 1 1 135 135 TYR HA H 1 5.60 0.03 . 1 . . . . . . . . 4577 1 1667 . 1 1 135 135 TYR HB3 H 1 3.59 0.03 . 2 . . . . . . . . 4577 1 1668 . 1 1 135 135 TYR HB2 H 1 2.71 0.03 . 2 . . . . . . . . 4577 1 1669 . 1 1 135 135 TYR HD1 H 1 7.08 0.03 . 2 . . . . . . . . 4577 1 1670 . 1 1 135 135 TYR HE1 H 1 6.86 0.03 . 2 . . . . . . . . 4577 1 1671 . 1 1 135 135 TYR C C 13 175.20 0.50 . 1 . . . . . . . . 4577 1 1672 . 1 1 135 135 TYR CA C 13 53.29 0.50 . 1 . . . . . . . . 4577 1 1673 . 1 1 135 135 TYR CB C 13 37.13 0.50 . 1 . . . . . . . . 4577 1 1674 . 1 1 135 135 TYR CD1 C 13 130.39 0.50 . 2 . . . . . . . . 4577 1 1675 . 1 1 135 135 TYR CE1 C 13 118.78 0.50 . 2 . . . . . . . . 4577 1 1676 . 1 1 135 135 TYR N N 15 128.28 0.25 . 1 . . . . . . . . 4577 1 1677 . 1 1 136 136 THR H H 1 8.99 0.03 . 1 . . . . . . . . 4577 1 1678 . 1 1 136 136 THR HA H 1 4.07 0.03 . 1 . . . . . . . . 4577 1 1679 . 1 1 136 136 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 4577 1 1680 . 1 1 136 136 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1681 . 1 1 136 136 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1682 . 1 1 136 136 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4577 1 1683 . 1 1 136 136 THR C C 13 174.96 0.50 . 1 . . . . . . . . 4577 1 1684 . 1 1 136 136 THR CA C 13 65.29 0.50 . 1 . . . . . . . . 4577 1 1685 . 1 1 136 136 THR CB C 13 68.94 0.50 . 1 . . . . . . . . 4577 1 1686 . 1 1 136 136 THR CG2 C 13 22.72 0.50 . 1 . . . . . . . . 4577 1 1687 . 1 1 136 136 THR N N 15 121.86 0.25 . 1 . . . . . . . . 4577 1 1688 . 1 1 137 137 ARG H H 1 7.68 0.03 . 1 . . . . . . . . 4577 1 1689 . 1 1 137 137 ARG HA H 1 4.29 0.03 . 1 . . . . . . . . 4577 1 1690 . 1 1 137 137 ARG HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4577 1 1691 . 1 1 137 137 ARG HG3 H 1 1.45 0.03 . 2 . . . . . . . . 4577 1 1692 . 1 1 137 137 ARG HG2 H 1 1.31 0.03 . 2 . . . . . . . . 4577 1 1693 . 1 1 137 137 ARG C C 13 171.85 0.50 . 1 . . . . . . . . 4577 1 1694 . 1 1 137 137 ARG CA C 13 54.21 0.50 . 1 . . . . . . . . 4577 1 1695 . 1 1 137 137 ARG CB C 13 30.44 0.50 . 1 . . . . . . . . 4577 1 1696 . 1 1 137 137 ARG CG C 13 25.79 0.50 . 1 . . . . . . . . 4577 1 1697 . 1 1 137 137 ARG N N 15 114.55 0.25 . 1 . . . . . . . . 4577 1 1698 . 1 1 138 138 LEU H H 1 7.90 0.03 . 1 . . . . . . . . 4577 1 1699 . 1 1 138 138 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 4577 1 1700 . 1 1 138 138 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4577 1 1701 . 1 1 138 138 LEU HB2 H 1 1.24 0.03 . 2 . . . . . . . . 4577 1 1702 . 1 1 138 138 LEU HG H 1 1.69 0.03 . 1 . . . . . . . . 4577 1 1703 . 1 1 138 138 LEU HD11 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 1704 . 1 1 138 138 LEU HD12 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 1705 . 1 1 138 138 LEU HD13 H 1 0.92 0.03 . 1 . . . . . . . . 4577 1 1706 . 1 1 138 138 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 1707 . 1 1 138 138 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 1708 . 1 1 138 138 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 4577 1 1709 . 1 1 138 138 LEU C C 13 176.41 0.50 . 1 . . . . . . . . 4577 1 1710 . 1 1 138 138 LEU CA C 13 53.14 0.50 . 1 . . . . . . . . 4577 1 1711 . 1 1 138 138 LEU CB C 13 40.16 0.50 . 1 . . . . . . . . 4577 1 1712 . 1 1 138 138 LEU CG C 13 26.73 0.50 . 1 . . . . . . . . 4577 1 1713 . 1 1 138 138 LEU CD1 C 13 25.51 0.50 . 1 . . . . . . . . 4577 1 1714 . 1 1 138 138 LEU CD2 C 13 21.99 0.50 . 1 . . . . . . . . 4577 1 1715 . 1 1 138 138 LEU N N 15 114.26 0.25 . 1 . . . . . . . . 4577 1 1716 . 1 1 139 139 PRO HA H 1 4.15 0.03 . 1 . . . . . . . . 4577 1 1717 . 1 1 139 139 PRO HB3 H 1 1.41 0.03 . 2 . . . . . . . . 4577 1 1718 . 1 1 139 139 PRO HG3 H 1 1.55 0.03 . 2 . . . . . . . . 4577 1 1719 . 1 1 139 139 PRO HD3 H 1 4.04 0.03 . 2 . . . . . . . . 4577 1 1720 . 1 1 139 139 PRO HD2 H 1 3.33 0.03 . 2 . . . . . . . . 4577 1 1721 . 1 1 139 139 PRO CA C 13 61.70 0.50 . 1 . . . . . . . . 4577 1 1722 . 1 1 139 139 PRO CB C 13 32.30 0.50 . 1 . . . . . . . . 4577 1 1723 . 1 1 139 139 PRO CG C 13 27.16 0.50 . 1 . . . . . . . . 4577 1 1724 . 1 1 139 139 PRO CD C 13 50.71 0.50 . 1 . . . . . . . . 4577 1 1725 . 1 1 140 140 GLU H H 1 9.02 0.03 . 1 . . . . . . . . 4577 1 1726 . 1 1 140 140 GLU HA H 1 4.54 0.03 . 1 . . . . . . . . 4577 1 1727 . 1 1 140 140 GLU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4577 1 1728 . 1 1 140 140 GLU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 4577 1 1729 . 1 1 140 140 GLU HG3 H 1 2.42 0.03 . 2 . . . . . . . . 4577 1 1730 . 1 1 140 140 GLU HG2 H 1 2.37 0.03 . 2 . . . . . . . . 4577 1 1731 . 1 1 140 140 GLU C C 13 179.15 0.50 . 1 . . . . . . . . 4577 1 1732 . 1 1 140 140 GLU CA C 13 54.61 0.50 . 1 . . . . . . . . 4577 1 1733 . 1 1 140 140 GLU CB C 13 31.21 0.50 . 1 . . . . . . . . 4577 1 1734 . 1 1 140 140 GLU CG C 13 36.18 0.50 . 1 . . . . . . . . 4577 1 1735 . 1 1 140 140 GLU N N 15 118.83 0.25 . 1 . . . . . . . . 4577 1 1736 . 1 1 141 141 ARG H H 1 9.14 0.03 . 1 . . . . . . . . 4577 1 1737 . 1 1 141 141 ARG HA H 1 4.03 0.03 . 1 . . . . . . . . 4577 1 1738 . 1 1 141 141 ARG HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4577 1 1739 . 1 1 141 141 ARG HD3 H 1 3.36 0.03 . 2 . . . . . . . . 4577 1 1740 . 1 1 141 141 ARG HD2 H 1 2.97 0.03 . 2 . . . . . . . . 4577 1 1741 . 1 1 141 141 ARG HE H 1 8.57 0.03 . 1 . . . . . . . . 4577 1 1742 . 1 1 141 141 ARG C C 13 179.48 0.50 . 1 . . . . . . . . 4577 1 1743 . 1 1 141 141 ARG CA C 13 58.99 0.50 . 1 . . . . . . . . 4577 1 1744 . 1 1 141 141 ARG CB C 13 28.20 0.50 . 1 . . . . . . . . 4577 1 1745 . 1 1 141 141 ARG CD C 13 42.73 0.50 . 1 . . . . . . . . 4577 1 1746 . 1 1 141 141 ARG N N 15 122.53 0.25 . 1 . . . . . . . . 4577 1 1747 . 1 1 141 141 ARG NE N 15 85.82 0.25 . 1 . . . . . . . . 4577 1 1748 . 1 1 142 142 SER H H 1 8.48 0.03 . 1 . . . . . . . . 4577 1 1749 . 1 1 142 142 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 4577 1 1750 . 1 1 142 142 SER HB2 H 1 4.11 0.03 . 1 . . . . . . . . 4577 1 1751 . 1 1 142 142 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 4577 1 1752 . 1 1 142 142 SER C C 13 175.42 0.50 . 1 . . . . . . . . 4577 1 1753 . 1 1 142 142 SER CA C 13 60.40 0.50 . 1 . . . . . . . . 4577 1 1754 . 1 1 142 142 SER CB C 13 62.37 0.50 . 1 . . . . . . . . 4577 1 1755 . 1 1 142 142 SER N N 15 112.71 0.25 . 1 . . . . . . . . 4577 1 1756 . 1 1 143 143 GLU H H 1 7.97 0.03 . 1 . . . . . . . . 4577 1 1757 . 1 1 143 143 GLU HA H 1 4.56 0.03 . 1 . . . . . . . . 4577 1 1758 . 1 1 143 143 GLU HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4577 1 1759 . 1 1 143 143 GLU HG3 H 1 2.49 0.03 . 2 . . . . . . . . 4577 1 1760 . 1 1 143 143 GLU HG2 H 1 2.42 0.03 . 2 . . . . . . . . 4577 1 1761 . 1 1 143 143 GLU C C 13 175.93 0.50 . 1 . . . . . . . . 4577 1 1762 . 1 1 143 143 GLU CA C 13 56.45 0.50 . 1 . . . . . . . . 4577 1 1763 . 1 1 143 143 GLU CB C 13 31.80 0.50 . 1 . . . . . . . . 4577 1 1764 . 1 1 143 143 GLU CG C 13 38.37 0.50 . 1 . . . . . . . . 4577 1 1765 . 1 1 143 143 GLU N N 15 120.03 0.25 . 1 . . . . . . . . 4577 1 1766 . 1 1 144 144 LEU H H 1 7.65 0.03 . 1 . . . . . . . . 4577 1 1767 . 1 1 144 144 LEU HA H 1 4.84 0.03 . 1 . . . . . . . . 4577 1 1768 . 1 1 144 144 LEU HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4577 1 1769 . 1 1 144 144 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 4577 1 1770 . 1 1 144 144 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 1771 . 1 1 144 144 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 1772 . 1 1 144 144 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4577 1 1773 . 1 1 144 144 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4577 1 1774 . 1 1 144 144 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4577 1 1775 . 1 1 144 144 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4577 1 1776 . 1 1 144 144 LEU C C 13 174.80 0.50 . 1 . . . . . . . . 4577 1 1777 . 1 1 144 144 LEU CA C 13 53.14 0.50 . 1 . . . . . . . . 4577 1 1778 . 1 1 144 144 LEU CB C 13 41.10 0.50 . 1 . . . . . . . . 4577 1 1779 . 1 1 144 144 LEU CG C 13 26.94 0.50 . 1 . . . . . . . . 4577 1 1780 . 1 1 144 144 LEU CD1 C 13 26.15 0.50 . 1 . . . . . . . . 4577 1 1781 . 1 1 144 144 LEU CD2 C 13 22.46 0.50 . 1 . . . . . . . . 4577 1 1782 . 1 1 144 144 LEU N N 15 121.14 0.25 . 1 . . . . . . . . 4577 1 1783 . 1 1 145 145 PRO HA H 1 4.35 0.03 . 1 . . . . . . . . 4577 1 1784 . 1 1 145 145 PRO HB3 H 1 2.50 0.03 . 2 . . . . . . . . 4577 1 1785 . 1 1 145 145 PRO HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4577 1 1786 . 1 1 145 145 PRO HG3 H 1 2.24 0.03 . 2 . . . . . . . . 4577 1 1787 . 1 1 145 145 PRO HD3 H 1 3.86 0.03 . 2 . . . . . . . . 4577 1 1788 . 1 1 145 145 PRO HD2 H 1 3.74 0.03 . 2 . . . . . . . . 4577 1 1789 . 1 1 145 145 PRO CA C 13 65.45 0.50 . 1 . . . . . . . . 4577 1 1790 . 1 1 145 145 PRO CB C 13 32.22 0.50 . 1 . . . . . . . . 4577 1 1791 . 1 1 145 145 PRO CG C 13 28.27 0.50 . 1 . . . . . . . . 4577 1 1792 . 1 1 145 145 PRO CD C 13 50.93 0.50 . 1 . . . . . . . . 4577 1 1793 . 1 1 146 146 ALA H H 1 8.74 0.03 . 1 . . . . . . . . 4577 1 1794 . 1 1 146 146 ALA HA H 1 4.34 0.03 . 1 . . . . . . . . 4577 1 1795 . 1 1 146 146 ALA HB1 H 1 1.56 0.03 . 1 . . . . . . . . 4577 1 1796 . 1 1 146 146 ALA HB2 H 1 1.56 0.03 . 1 . . . . . . . . 4577 1 1797 . 1 1 146 146 ALA HB3 H 1 1.56 0.03 . 1 . . . . . . . . 4577 1 1798 . 1 1 146 146 ALA C C 13 179.28 0.50 . 1 . . . . . . . . 4577 1 1799 . 1 1 146 146 ALA CA C 13 54.03 0.50 . 1 . . . . . . . . 4577 1 1800 . 1 1 146 146 ALA CB C 13 19.41 0.50 . 1 . . . . . . . . 4577 1 1801 . 1 1 146 146 ALA N N 15 129.38 0.25 . 1 . . . . . . . . 4577 1 1802 . 1 1 147 147 GLU H H 1 9.28 0.03 . 1 . . . . . . . . 4577 1 1803 . 1 1 147 147 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . 4577 1 1804 . 1 1 147 147 GLU HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4577 1 1805 . 1 1 147 147 GLU HG3 H 1 2.32 0.03 . 2 . . . . . . . . 4577 1 1806 . 1 1 147 147 GLU HG2 H 1 2.23 0.03 . 2 . . . . . . . . 4577 1 1807 . 1 1 147 147 GLU C C 13 175.12 0.50 . 1 . . . . . . . . 4577 1 1808 . 1 1 147 147 GLU CA C 13 57.40 0.50 . 1 . . . . . . . . 4577 1 1809 . 1 1 147 147 GLU CB C 13 28.81 0.50 . 1 . . . . . . . . 4577 1 1810 . 1 1 147 147 GLU CG C 13 36.40 0.50 . 1 . . . . . . . . 4577 1 1811 . 1 1 147 147 GLU N N 15 116.13 0.25 . 1 . . . . . . . . 4577 1 1812 . 1 1 148 148 ILE H H 1 6.77 0.03 . 1 . . . . . . . . 4577 1 1813 . 1 1 148 148 ILE HA H 1 4.52 0.03 . 1 . . . . . . . . 4577 1 1814 . 1 1 148 148 ILE HB H 1 1.96 0.03 . 1 . . . . . . . . 4577 1 1815 . 1 1 148 148 ILE HG13 H 1 1.54 0.03 . 2 . . . . . . . . 4577 1 1816 . 1 1 148 148 ILE HG21 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1817 . 1 1 148 148 ILE HG22 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1818 . 1 1 148 148 ILE HG23 H 1 1.06 0.03 . 1 . . . . . . . . 4577 1 1819 . 1 1 148 148 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1820 . 1 1 148 148 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1821 . 1 1 148 148 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4577 1 1822 . 1 1 148 148 ILE C C 13 174.31 0.50 . 1 . . . . . . . . 4577 1 1823 . 1 1 148 148 ILE CA C 13 57.58 0.50 . 1 . . . . . . . . 4577 1 1824 . 1 1 148 148 ILE CB C 13 38.84 0.50 . 1 . . . . . . . . 4577 1 1825 . 1 1 148 148 ILE CG1 C 13 26.90 0.50 . 1 . . . . . . . . 4577 1 1826 . 1 1 148 148 ILE CG2 C 13 17.60 0.50 . 1 . . . . . . . . 4577 1 1827 . 1 1 148 148 ILE CD1 C 13 10.37 0.50 . 1 . . . . . . . . 4577 1 1828 . 1 1 148 148 ILE N N 15 119.30 0.25 . 1 . . . . . . . . 4577 1 1829 . 1 1 149 149 ASN H H 1 9.90 0.03 . 1 . . . . . . . . 4577 1 1830 . 1 1 149 149 ASN HA H 1 4.99 0.03 . 1 . . . . . . . . 4577 1 1831 . 1 1 149 149 ASN HB2 H 1 2.74 0.03 . 1 . . . . . . . . 4577 1 1832 . 1 1 149 149 ASN HB3 H 1 3.06 0.03 . 1 . . . . . . . . 4577 1 1833 . 1 1 149 149 ASN HD21 H 1 7.68 0.03 . 2 . . . . . . . . 4577 1 1834 . 1 1 149 149 ASN HD22 H 1 6.97 0.03 . 2 . . . . . . . . 4577 1 1835 . 1 1 149 149 ASN C C 13 175.77 0.50 . 1 . . . . . . . . 4577 1 1836 . 1 1 149 149 ASN CA C 13 50.94 0.50 . 1 . . . . . . . . 4577 1 1837 . 1 1 149 149 ASN CB C 13 37.34 0.50 . 1 . . . . . . . . 4577 1 1838 . 1 1 149 149 ASN N N 15 126.38 0.25 . 1 . . . . . . . . 4577 1 1839 . 1 1 149 149 ASN ND2 N 15 110.09 0.25 . 1 . . . . . . . . 4577 1 1840 . 1 1 150 150 GLU H H 1 10.71 0.03 . 1 . . . . . . . . 4577 1 1841 . 1 1 150 150 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 4577 1 1842 . 1 1 150 150 GLU HB3 H 1 2.53 0.03 . 2 . . . . . . . . 4577 1 1843 . 1 1 150 150 GLU HB2 H 1 1.93 0.03 . 2 . . . . . . . . 4577 1 1844 . 1 1 150 150 GLU HG3 H 1 2.48 0.03 . 2 . . . . . . . . 4577 1 1845 . 1 1 150 150 GLU HG2 H 1 2.40 0.03 . 2 . . . . . . . . 4577 1 1846 . 1 1 150 150 GLU C C 13 177.63 0.50 . 1 . . . . . . . . 4577 1 1847 . 1 1 150 150 GLU CA C 13 59.47 0.50 . 1 . . . . . . . . 4577 1 1848 . 1 1 150 150 GLU CB C 13 27.52 0.50 . 1 . . . . . . . . 4577 1 1849 . 1 1 150 150 GLU CG C 13 34.71 0.50 . 1 . . . . . . . . 4577 1 1850 . 1 1 150 150 GLU N N 15 124.16 0.25 . 1 . . . . . . . . 4577 1 1851 . 1 1 151 151 ALA H H 1 8.28 0.03 . 1 . . . . . . . . 4577 1 1852 . 1 1 151 151 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 4577 1 1853 . 1 1 151 151 ALA HB1 H 1 1.60 0.03 . 1 . . . . . . . . 4577 1 1854 . 1 1 151 151 ALA HB2 H 1 1.60 0.03 . 1 . . . . . . . . 4577 1 1855 . 1 1 151 151 ALA HB3 H 1 1.60 0.03 . 1 . . . . . . . . 4577 1 1856 . 1 1 151 151 ALA C C 13 180.97 0.50 . 1 . . . . . . . . 4577 1 1857 . 1 1 151 151 ALA CA C 13 55.41 0.50 . 1 . . . . . . . . 4577 1 1858 . 1 1 151 151 ALA CB C 13 18.31 0.50 . 1 . . . . . . . . 4577 1 1859 . 1 1 151 151 ALA N N 15 125.19 0.25 . 1 . . . . . . . . 4577 1 1860 . 1 1 152 152 LEU H H 1 7.54 0.03 . 1 . . . . . . . . 4577 1 1861 . 1 1 152 152 LEU HA H 1 4.19 0.03 . 1 . . . . . . . . 4577 1 1862 . 1 1 152 152 LEU HB2 H 1 2.01 0.03 . 1 . . . . . . . . 4577 1 1863 . 1 1 152 152 LEU HB3 H 1 1.48 0.03 . 1 . . . . . . . . 4577 1 1864 . 1 1 152 152 LEU HG H 1 1.78 0.03 . 1 . . . . . . . . 4577 1 1865 . 1 1 152 152 LEU HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1866 . 1 1 152 152 LEU HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1867 . 1 1 152 152 LEU HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4577 1 1868 . 1 1 152 152 LEU HD21 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 1869 . 1 1 152 152 LEU HD22 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 1870 . 1 1 152 152 LEU HD23 H 1 0.95 0.03 . 1 . . . . . . . . 4577 1 1871 . 1 1 152 152 LEU C C 13 178.66 0.50 . 1 . . . . . . . . 4577 1 1872 . 1 1 152 152 LEU CA C 13 57.45 0.50 . 1 . . . . . . . . 4577 1 1873 . 1 1 152 152 LEU CB C 13 42.56 0.50 . 1 . . . . . . . . 4577 1 1874 . 1 1 152 152 LEU CG C 13 27.04 0.50 . 1 . . . . . . . . 4577 1 1875 . 1 1 152 152 LEU CD1 C 13 26.02 0.50 . 1 . . . . . . . . 4577 1 1876 . 1 1 152 152 LEU CD2 C 13 23.29 0.50 . 1 . . . . . . . . 4577 1 1877 . 1 1 152 152 LEU N N 15 115.80 0.25 . 1 . . . . . . . . 4577 1 1878 . 1 1 153 153 ILE H H 1 7.16 0.03 . 1 . . . . . . . . 4577 1 1879 . 1 1 153 153 ILE HA H 1 3.51 0.03 . 1 . . . . . . . . 4577 1 1880 . 1 1 153 153 ILE HB H 1 2.18 0.03 . 1 . . . . . . . . 4577 1 1881 . 1 1 153 153 ILE HG13 H 1 1.75 0.03 . 2 . . . . . . . . 4577 1 1882 . 1 1 153 153 ILE HG21 H 1 1.01 0.03 . 1 . . . . . . . . 4577 1 1883 . 1 1 153 153 ILE HG22 H 1 1.01 0.03 . 1 . . . . . . . . 4577 1 1884 . 1 1 153 153 ILE HG23 H 1 1.01 0.03 . 1 . . . . . . . . 4577 1 1885 . 1 1 153 153 ILE HD11 H 1 1.08 0.03 . 1 . . . . . . . . 4577 1 1886 . 1 1 153 153 ILE HD12 H 1 1.08 0.03 . 1 . . . . . . . . 4577 1 1887 . 1 1 153 153 ILE HD13 H 1 1.08 0.03 . 1 . . . . . . . . 4577 1 1888 . 1 1 153 153 ILE C C 13 176.96 0.50 . 1 . . . . . . . . 4577 1 1889 . 1 1 153 153 ILE CA C 13 64.47 0.50 . 1 . . . . . . . . 4577 1 1890 . 1 1 153 153 ILE CB C 13 37.86 0.50 . 1 . . . . . . . . 4577 1 1891 . 1 1 153 153 ILE CG1 C 13 29.60 0.50 . 1 . . . . . . . . 4577 1 1892 . 1 1 153 153 ILE CG2 C 13 18.27 0.50 . 1 . . . . . . . . 4577 1 1893 . 1 1 153 153 ILE CD1 C 13 16.09 0.50 . 1 . . . . . . . . 4577 1 1894 . 1 1 153 153 ILE N N 15 118.19 0.25 . 1 . . . . . . . . 4577 1 1895 . 1 1 154 154 VAL H H 1 7.71 0.03 . 1 . . . . . . . . 4577 1 1896 . 1 1 154 154 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 4577 1 1897 . 1 1 154 154 VAL HB H 1 2.33 0.03 . 1 . . . . . . . . 4577 1 1898 . 1 1 154 154 VAL HG11 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1899 . 1 1 154 154 VAL HG12 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1900 . 1 1 154 154 VAL HG13 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1901 . 1 1 154 154 VAL HG21 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1902 . 1 1 154 154 VAL HG22 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1903 . 1 1 154 154 VAL HG23 H 1 1.05 0.03 . 1 . . . . . . . . 4577 1 1904 . 1 1 154 154 VAL C C 13 179.28 0.50 . 1 . . . . . . . . 4577 1 1905 . 1 1 154 154 VAL CA C 13 66.34 0.50 . 1 . . . . . . . . 4577 1 1906 . 1 1 154 154 VAL CB C 13 31.56 0.50 . 1 . . . . . . . . 4577 1 1907 . 1 1 154 154 VAL CG1 C 13 21.50 0.50 . 1 . . . . . . . . 4577 1 1908 . 1 1 154 154 VAL CG2 C 13 22.24 0.50 . 1 . . . . . . . . 4577 1 1909 . 1 1 154 154 VAL N N 15 118.42 0.25 . 1 . . . . . . . . 4577 1 1910 . 1 1 155 155 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 4577 1 1911 . 1 1 155 155 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 4577 1 1912 . 1 1 155 155 GLU HB3 H 1 2.11 0.03 . 2 . . . . . . . . 4577 1 1913 . 1 1 155 155 GLU HG3 H 1 2.53 0.03 . 2 . . . . . . . . 4577 1 1914 . 1 1 155 155 GLU HG2 H 1 2.39 0.03 . 2 . . . . . . . . 4577 1 1915 . 1 1 155 155 GLU C C 13 178.89 0.50 . 1 . . . . . . . . 4577 1 1916 . 1 1 155 155 GLU CA C 13 59.35 0.50 . 1 . . . . . . . . 4577 1 1917 . 1 1 155 155 GLU CB C 13 29.56 0.50 . 1 . . . . . . . . 4577 1 1918 . 1 1 155 155 GLU CG C 13 35.93 0.50 . 1 . . . . . . . . 4577 1 1919 . 1 1 155 155 GLU N N 15 118.39 0.25 . 1 . . . . . . . . 4577 1 1920 . 1 1 156 156 PHE H H 1 7.87 0.03 . 1 . . . . . . . . 4577 1 1921 . 1 1 156 156 PHE HA H 1 3.98 0.03 . 1 . . . . . . . . 4577 1 1922 . 1 1 156 156 PHE HB2 H 1 3.08 0.03 . 1 . . . . . . . . 4577 1 1923 . 1 1 156 156 PHE HB3 H 1 2.89 0.03 . 1 . . . . . . . . 4577 1 1924 . 1 1 156 156 PHE HD1 H 1 6.33 0.03 . 2 . . . . . . . . 4577 1 1925 . 1 1 156 156 PHE HE1 H 1 7.02 0.03 . 2 . . . . . . . . 4577 1 1926 . 1 1 156 156 PHE HZ H 1 7.25 0.03 . 1 . . . . . . . . 4577 1 1927 . 1 1 156 156 PHE C C 13 177.27 0.50 . 1 . . . . . . . . 4577 1 1928 . 1 1 156 156 PHE CA C 13 61.98 0.50 . 1 . . . . . . . . 4577 1 1929 . 1 1 156 156 PHE CB C 13 39.10 0.50 . 1 . . . . . . . . 4577 1 1930 . 1 1 156 156 PHE CD1 C 13 131.03 0.50 . 2 . . . . . . . . 4577 1 1931 . 1 1 156 156 PHE CE1 C 13 131.61 0.50 . 2 . . . . . . . . 4577 1 1932 . 1 1 156 156 PHE CZ C 13 129.94 0.50 . 1 . . . . . . . . 4577 1 1933 . 1 1 156 156 PHE N N 15 120.50 0.25 . 1 . . . . . . . . 4577 1 1934 . 1 1 157 157 TYR H H 1 7.36 0.03 . 1 . . . . . . . . 4577 1 1935 . 1 1 157 157 TYR HA H 1 4.45 0.03 . 1 . . . . . . . . 4577 1 1936 . 1 1 157 157 TYR HB2 H 1 2.02 0.03 . 1 . . . . . . . . 4577 1 1937 . 1 1 157 157 TYR HB3 H 1 2.97 0.03 . 1 . . . . . . . . 4577 1 1938 . 1 1 157 157 TYR HD1 H 1 6.37 0.03 . 2 . . . . . . . . 4577 1 1939 . 1 1 157 157 TYR HE1 H 1 6.58 0.03 . 2 . . . . . . . . 4577 1 1940 . 1 1 157 157 TYR C C 13 176.57 0.50 . 1 . . . . . . . . 4577 1 1941 . 1 1 157 157 TYR CA C 13 58.67 0.50 . 1 . . . . . . . . 4577 1 1942 . 1 1 157 157 TYR CB C 13 39.10 0.50 . 1 . . . . . . . . 4577 1 1943 . 1 1 157 157 TYR CD1 C 13 132.54 0.50 . 2 . . . . . . . . 4577 1 1944 . 1 1 157 157 TYR CE1 C 13 116.82 0.50 . 2 . . . . . . . . 4577 1 1945 . 1 1 157 157 TYR N N 15 113.96 0.25 . 1 . . . . . . . . 4577 1 1946 . 1 1 158 158 SER H H 1 7.77 0.03 . 1 . . . . . . . . 4577 1 1947 . 1 1 158 158 SER HA H 1 4.65 0.03 . 1 . . . . . . . . 4577 1 1948 . 1 1 158 158 SER HB3 H 1 4.10 0.03 . 2 . . . . . . . . 4577 1 1949 . 1 1 158 158 SER HB2 H 1 4.04 0.03 . 2 . . . . . . . . 4577 1 1950 . 1 1 158 158 SER C C 13 173.40 0.50 . 1 . . . . . . . . 4577 1 1951 . 1 1 158 158 SER CA C 13 59.25 0.50 . 1 . . . . . . . . 4577 1 1952 . 1 1 158 158 SER CB C 13 63.85 0.50 . 1 . . . . . . . . 4577 1 1953 . 1 1 158 158 SER N N 15 115.95 0.25 . 1 . . . . . . . . 4577 1 1954 . 1 1 159 159 ARG H H 1 7.36 0.03 . 1 . . . . . . . . 4577 1 1955 . 1 1 159 159 ARG HA H 1 4.16 0.03 . 1 . . . . . . . . 4577 1 1956 . 1 1 159 159 ARG HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4577 1 1957 . 1 1 159 159 ARG HB3 H 1 1.85 0.03 . 1 . . . . . . . . 4577 1 1958 . 1 1 159 159 ARG HG3 H 1 1.66 0.03 . 2 . . . . . . . . 4577 1 1959 . 1 1 159 159 ARG HD3 H 1 3.16 0.03 . 2 . . . . . . . . 4577 1 1960 . 1 1 159 159 ARG C C 13 181.12 0.50 . 1 . . . . . . . . 4577 1 1961 . 1 1 159 159 ARG CA C 13 58.10 0.50 . 1 . . . . . . . . 4577 1 1962 . 1 1 159 159 ARG CB C 13 31.55 0.50 . 1 . . . . . . . . 4577 1 1963 . 1 1 159 159 ARG CG C 13 27.43 0.50 . 1 . . . . . . . . 4577 1 1964 . 1 1 159 159 ARG CD C 13 43.64 0.50 . 1 . . . . . . . . 4577 1 1965 . 1 1 159 159 ARG N N 15 126.59 0.25 . 1 . . . . . . . . 4577 1 stop_ save_ ######################## # Coupling constants # ######################## save_JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHNHA _Coupling_constant_list.Entry_ID 4577 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $15N_sample . 4577 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 LEU H . . . . 1 1 3 3 LEU HA . . . 5.784 . . 0.041 . . . . . . . . . . . 4577 1 2 3JHNHA . 1 1 4 4 SER H . . . . 1 1 4 4 SER HA . . . 5.924 . . 0.062 . . . . . . . . . . . 4577 1 3 3JHNHA . 1 1 5 5 GLU H . . . . 1 1 5 5 GLU HA . . . 4.496 . . 0.114 . . . . . . . . . . . 4577 1 4 3JHNHA . 1 1 6 6 TYR H . . . . 1 1 6 6 TYR HA . . . 4.102 . . 0.165 . . . . . . . . . . . 4577 1 5 3JHNHA . 1 1 8 8 LEU H . . . . 1 1 8 8 LEU HA . . . 4.516 . . 0.165 . . . . . . . . . . . 4577 1 6 3JHNHA . 1 1 10 10 LEU H . . . . 1 1 10 10 LEU HA . . . 3.163 . . 0.334 . . . . . . . . . . . 4577 1 7 3JHNHA . 1 1 11 11 GLN H . . . . 1 1 11 11 GLN HA . . . 3.828 . . 0.242 . . . . . . . . . . . 4577 1 8 3JHNHA . 1 1 12 12 GLU H . . . . 1 1 12 12 GLU HA . . . 4.517 . . 0.296 . . . . . . . . . . . 4577 1 9 3JHNHA . 1 1 13 13 LYS H . . . . 1 1 13 13 LYS HA . . . 2.971 . . 0.339 . . . . . . . . . . . 4577 1 10 3JHNHA . 1 1 14 14 GLN H . . . . 1 1 14 14 GLN HA . . . 4.636 . . 0.333 . . . . . . . . . . . 4577 1 11 3JHNHA . 1 1 16 16 LEU H . . . . 1 1 16 16 LEU HA . . . 3.367 . . 0.275 . . . . . . . . . . . 4577 1 12 3JHNHA . 1 1 17 17 ARG H . . . . 1 1 17 17 ARG HA . . . 3.135 . . 0.254 . . . . . . . . . . . 4577 1 13 3JHNHA . 1 1 19 19 MET H . . . . 1 1 19 19 MET HA . . . 3.272 . . 0.288 . . . . . . . . . . . 4577 1 14 3JHNHA . 1 1 20 20 TYR H . . . . 1 1 20 20 TYR HA . . . 6.659 . . 0.360 . . . . . . . . . . . 4577 1 15 3JHNHA . 1 1 22 22 VAL H . . . . 1 1 22 22 VAL HA . . . 8.372 . . 0.098 . . . . . . . . . . . 4577 1 16 3JHNHA . 1 1 23 23 ASN H . . . . 1 1 23 23 ASN HA . . . 5.524 . . 0.143 . . . . . . . . . . . 4577 1 17 3JHNHA . 1 1 26 26 GLN H . . . . 1 1 26 26 GLN HA . . . 4.902 . . 0.192 . . . . . . . . . . . 4577 1 18 3JHNHA . 1 1 27 27 PHE H . . . . 1 1 27 27 PHE HA . . . 3.783 . . 0.393 . . . . . . . . . . . 4577 1 19 3JHNHA . 1 1 28 28 ARG H . . . . 1 1 28 28 ARG HA . . . 3.087 . . 0.190 . . . . . . . . . . . 4577 1 20 3JHNHA . 1 1 31 31 PHE H . . . . 1 1 31 31 PHE HA . . . 3.250 . . 0.484 . . . . . . . . . . . 4577 1 21 3JHNHA . 1 1 32 32 GLU H . . . . 1 1 32 32 GLU HA . . . 4.592 . . 0.249 . . . . . . . . . . . 4577 1 22 3JHNHA . 1 1 33 33 GLU H . . . . 1 1 33 33 GLU HA . . . 3.817 . . 0.168 . . . . . . . . . . . 4577 1 23 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 3.374 . . 0.173 . . . . . . . . . . . 4577 1 24 3JHNHA . 1 1 36 36 LYS H . . . . 1 1 36 36 LYS HA . . . 7.670 . . 0.099 . . . . . . . . . . . 4577 1 25 3JHNHA . 1 1 37 37 MET H . . . . 1 1 37 37 MET HA . . . 6.553 . . 0.117 . . . . . . . . . . . 4577 1 26 3JHNHA . 1 1 40 40 LYS H . . . . 1 1 40 40 LYS HA . . . 6.296 . . 0.114 . . . . . . . . . . . 4577 1 27 3JHNHA . 1 1 43 43 GLU H . . . . 1 1 43 43 GLU HA . . . 4.965 . . 0.180 . . . . . . . . . . . 4577 1 28 3JHNHA . 1 1 44 44 ASN H . . . . 1 1 44 44 ASN HA . . . 3.122 . . 0.321 . . . . . . . . . . . 4577 1 29 3JHNHA . 1 1 45 45 PHE H . . . . 1 1 45 45 PHE HA . . . 3.372 . . 0.418 . . . . . . . . . . . 4577 1 30 3JHNHA . 1 1 46 46 MET H . . . . 1 1 46 46 MET HA . . . 4.721 . . 0.367 . . . . . . . . . . . 4577 1 31 3JHNHA . 1 1 48 48 LEU H . . . . 1 1 48 48 LEU HA . . . 4.538 . . 0.438 . . . . . . . . . . . 4577 1 32 3JHNHA . 1 1 51 51 SER H . . . . 1 1 51 51 SER HA . . . 5.428 . . 0.303 . . . . . . . . . . . 4577 1 33 3JHNHA . 1 1 52 52 ARG H . . . . 1 1 52 52 ARG HA . . . 3.245 . . 0.470 . . . . . . . . . . . 4577 1 34 3JHNHA . 1 1 54 54 ASP H . . . . 1 1 54 54 ASP HA . . . 3.887 . . 0.264 . . . . . . . . . . . 4577 1 35 3JHNHA . 1 1 55 55 ASN H . . . . 1 1 55 55 ASN HA . . . 2.896 . . 0.293 . . . . . . . . . . . 4577 1 36 3JHNHA . 1 1 56 56 LEU H . . . . 1 1 56 56 LEU HA . . . 3.372 . . 0.360 . . . . . . . . . . . 4577 1 37 3JHNHA . 1 1 57 57 VAL H . . . . 1 1 57 57 VAL HA . . . 4.408 . . 0.349 . . . . . . . . . . . 4577 1 38 3JHNHA . 1 1 58 58 TYR H . . . . 1 1 58 58 TYR HA . . . 5.069 . . 0.339 . . . . . . . . . . . 4577 1 39 3JHNHA . 1 1 59 59 ARG H . . . . 1 1 59 59 ARG HA . . . 3.463 . . 0.457 . . . . . . . . . . . 4577 1 40 3JHNHA . 1 1 60 60 LEU H . . . . 1 1 60 60 LEU HA . . . 2.660 . . 0.234 . . . . . . . . . . . 4577 1 41 3JHNHA . 1 1 62 62 LEU H . . . . 1 1 62 62 LEU HA . . . 3.819 . . 0.197 . . . . . . . . . . . 4577 1 42 3JHNHA . 1 1 63 63 ALA H . . . . 1 1 63 63 ALA HA . . . 5.843 . . 0.101 . . . . . . . . . . . 4577 1 43 3JHNHA . 1 1 64 64 ARG H . . . . 1 1 64 64 ARG HA . . . 5.092 . . 0.220 . . . . . . . . . . . 4577 1 44 3JHNHA . 1 1 65 65 THR H . . . . 1 1 65 65 THR HA . . . 7.616 . . 0.087 . . . . . . . . . . . 4577 1 45 3JHNHA . 1 1 67 67 ARG H . . . . 1 1 67 67 ARG HA . . . 3.260 . . 0.303 . . . . . . . . . . . 4577 1 46 3JHNHA . 1 1 68 68 GLN H . . . . 1 1 68 68 GLN HA . . . 4.767 . . 0.240 . . . . . . . . . . . 4577 1 47 3JHNHA . 1 1 69 69 ALA H . . . . 1 1 69 69 ALA HA . . . 3.287 . . 0.243 . . . . . . . . . . . 4577 1 48 3JHNHA . 1 1 71 71 GLN H . . . . 1 1 71 71 GLN HA . . . 4.122 . . 0.173 . . . . . . . . . . . 4577 1 49 3JHNHA . 1 1 73 73 VAL H . . . . 1 1 73 73 VAL HA . . . 3.749 . . 0.275 . . . . . . . . . . . 4577 1 50 3JHNHA . 1 1 74 74 THR H . . . . 1 1 74 74 THR HA . . . 3.279 . . 0.354 . . . . . . . . . . . 4577 1 51 3JHNHA . 1 1 75 75 HIS H . . . . 1 1 75 75 HIS HA . . . 7.724 . . 0.107 . . . . . . . . . . . 4577 1 52 3JHNHA . 1 1 77 77 HIS H . . . . 1 1 77 77 HIS HA . . . 7.038 . . 0.173 . . . . . . . . . . . 4577 1 53 3JHNHA . 1 1 78 78 ILE H . . . . 1 1 78 78 ILE HA . . . 7.294 . . 0.304 . . . . . . . . . . . 4577 1 54 3JHNHA . 1 1 79 79 LEU H . . . . 1 1 79 79 LEU HA . . . 8.287 . . 0.231 . . . . . . . . . . . 4577 1 55 3JHNHA . 1 1 81 81 ASP H . . . . 1 1 81 81 ASP HA . . . 6.052 . . 0.341 . . . . . . . . . . . 4577 1 56 3JHNHA . 1 1 83 83 SER H . . . . 1 1 83 83 SER HA . . . 8.747 . . 0.050 . . . . . . . . . . . 4577 1 57 3JHNHA . 1 1 84 84 ARG H . . . . 1 1 84 84 ARG HA . . . 3.471 . . 0.166 . . . . . . . . . . . 4577 1 58 3JHNHA . 1 1 85 85 VAL H . . . . 1 1 85 85 VAL HA . . . 8.625 . . 0.145 . . . . . . . . . . . 4577 1 59 3JHNHA . 1 1 86 86 ASN H . . . . 1 1 86 86 ASN HA . . . 7.991 . . 0.104 . . . . . . . . . . . 4577 1 60 3JHNHA . 1 1 87 87 ILE H . . . . 1 1 87 87 ILE HA . . . 7.834 . . 0.164 . . . . . . . . . . . 4577 1 61 3JHNHA . 1 1 89 89 SER H . . . . 1 1 89 89 SER HA . . . 6.928 . . 0.139 . . . . . . . . . . . 4577 1 62 3JHNHA . 1 1 90 90 TYR H . . . . 1 1 90 90 TYR HA . . . 3.145 . . 0.395 . . . . . . . . . . . 4577 1 63 3JHNHA . 1 1 91 91 ARG H . . . . 1 1 91 91 ARG HA . . . 5.570 . . 0.154 . . . . . . . . . . . 4577 1 64 3JHNHA . 1 1 92 92 VAL H . . . . 1 1 92 92 VAL HA . . . 6.991 . . 0.246 . . . . . . . . . . . 4577 1 65 3JHNHA . 1 1 93 93 LYS H . . . . 1 1 93 93 LYS HA . . . 7.639 . . 0.227 . . . . . . . . . . . 4577 1 66 3JHNHA . 1 1 96 96 GLN H . . . . 1 1 96 96 GLN HA . . . 6.223 . . 0.187 . . . . . . . . . . . 4577 1 67 3JHNHA . 1 1 97 97 THR H . . . . 1 1 97 97 THR HA . . . 7.787 . . 0.161 . . . . . . . . . . . 4577 1 68 3JHNHA . 1 1 98 98 ILE H . . . . 1 1 98 98 ILE HA . . . 8.186 . . 0.165 . . . . . . . . . . . 4577 1 69 3JHNHA . 1 1 99 99 ALA H . . . . 1 1 99 99 ALA HA . . . 7.871 . . 0.132 . . . . . . . . . . . 4577 1 70 3JHNHA . 1 1 100 100 VAL H . . . . 1 1 100 100 VAL HA . . . 7.418 . . 0.146 . . . . . . . . . . . 4577 1 71 3JHNHA . 1 1 104 104 SER H . . . . 1 1 104 104 SER HA . . . 8.408 . . 0.109 . . . . . . . . . . . 4577 1 72 3JHNHA . 1 1 106 106 ASN H . . . . 1 1 106 106 ASN HA . . . 8.697 . . 0.055 . . . . . . . . . . . 4577 1 73 3JHNHA . 1 1 107 107 LEU H . . . . 1 1 107 107 LEU HA . . . 4.064 . . 0.203 . . . . . . . . . . . 4577 1 74 3JHNHA . 1 1 109 109 VAL H . . . . 1 1 109 109 VAL HA . . . 2.832 . . 0.218 . . . . . . . . . . . 4577 1 75 3JHNHA . 1 1 110 110 ILE H . . . . 1 1 110 110 ILE HA . . . 7.021 . . 0.179 . . . . . . . . . . . 4577 1 76 3JHNHA . 1 1 111 111 LYS H . . . . 1 1 111 111 LYS HA . . . 3.436 . . 0.289 . . . . . . . . . . . 4577 1 77 3JHNHA . 1 1 112 112 GLU H . . . . 1 1 112 112 GLU HA . . . 4.099 . . 0.173 . . . . . . . . . . . 4577 1 78 3JHNHA . 1 1 113 113 ALA H . . . . 1 1 113 113 ALA HA . . . 5.234 . . 0.116 . . . . . . . . . . . 4577 1 79 3JHNHA . 1 1 114 114 LEU H . . . . 1 1 114 114 LEU HA . . . 3.441 . . 0.239 . . . . . . . . . . . 4577 1 80 3JHNHA . 1 1 115 115 GLU H . . . . 1 1 115 115 GLU HA . . . 5.099 . . 0.086 . . . . . . . . . . . 4577 1 81 3JHNHA . 1 1 116 116 ALA H . . . . 1 1 116 116 ALA HA . . . 6.623 . . 0.072 . . . . . . . . . . . 4577 1 82 3JHNHA . 1 1 117 117 ASN H . . . . 1 1 117 117 ASN HA . . . 5.988 . . 0.063 . . . . . . . . . . . 4577 1 83 3JHNHA . 1 1 118 118 ASN H . . . . 1 1 118 118 ASN HA . . . 8.041 . . 0.059 . . . . . . . . . . . 4577 1 84 3JHNHA . 1 1 119 119 TYR H . . . . 1 1 119 119 TYR HA . . . 6.390 . . 0.073 . . . . . . . . . . . 4577 1 85 3JHNHA . 1 1 120 120 ILE H . . . . 1 1 120 120 ILE HA . . . 7.437 . . 0.076 . . . . . . . . . . . 4577 1 86 3JHNHA . 1 1 122 122 ASP H . . . . 1 1 122 122 ASP HA . . . 2.875 . . 0.316 . . . . . . . . . . . 4577 1 87 3JHNHA . 1 1 123 123 TYR H . . . . 1 1 123 123 TYR HA . . . 8.457 . . 0.203 . . . . . . . . . . . 4577 1 88 3JHNHA . 1 1 125 125 SER H . . . . 1 1 125 125 SER HA . . . 9.011 . . 0.115 . . . . . . . . . . . 4577 1 89 3JHNHA . 1 1 126 126 PHE H . . . . 1 1 126 126 PHE HA . . . 6.864 . . 0.089 . . . . . . . . . . . 4577 1 90 3JHNHA . 1 1 127 127 ASP H . . . . 1 1 127 127 ASP HA . . . 8.548 . . 0.140 . . . . . . . . . . . 4577 1 91 3JHNHA . 1 1 129 129 GLU H . . . . 1 1 129 129 GLU HA . . . 7.220 . . 0.084 . . . . . . . . . . . 4577 1 92 3JHNHA . 1 1 130 130 LYS H . . . . 1 1 130 130 LYS HA . . . 7.647 . . 0.114 . . . . . . . . . . . 4577 1 93 3JHNHA . 1 1 131 131 MET H . . . . 1 1 131 131 MET HA . . . 6.504 . . 0.186 . . . . . . . . . . . 4577 1 94 3JHNHA . 1 1 132 132 GLU H . . . . 1 1 132 132 GLU HA . . . 7.773 . . 0.116 . . . . . . . . . . . 4577 1 95 3JHNHA . 1 1 134 134 THR H . . . . 1 1 134 134 THR HA . . . 8.121 . . 0.098 . . . . . . . . . . . 4577 1 96 3JHNHA . 1 1 135 135 TYR H . . . . 1 1 135 135 TYR HA . . . 6.735 . . 0.288 . . . . . . . . . . . 4577 1 97 3JHNHA . 1 1 136 136 THR H . . . . 1 1 136 136 THR HA . . . 6.767 . . 0.187 . . . . . . . . . . . 4577 1 98 3JHNHA . 1 1 137 137 ARG H . . . . 1 1 137 137 ARG HA . . . 5.159 . . 0.166 . . . . . . . . . . . 4577 1 99 3JHNHA . 1 1 138 138 LEU H . . . . 1 1 138 138 LEU HA . . . 5.360 . . 0.361 . . . . . . . . . . . 4577 1 100 3JHNHA . 1 1 140 140 GLU H . . . . 1 1 140 140 GLU HA . . . 8.926 . . 0.180 . . . . . . . . . . . 4577 1 101 3JHNHA . 1 1 142 142 SER H . . . . 1 1 142 142 SER HA . . . 4.209 . . 0.284 . . . . . . . . . . . 4577 1 102 3JHNHA . 1 1 146 146 ALA H . . . . 1 1 146 146 ALA HA . . . 5.116 . . 0.261 . . . . . . . . . . . 4577 1 103 3JHNHA . 1 1 147 147 GLU H . . . . 1 1 147 147 GLU HA . . . 5.313 . . 0.232 . . . . . . . . . . . 4577 1 104 3JHNHA . 1 1 148 148 ILE H . . . . 1 1 148 148 ILE HA . . . 7.506 . . 0.362 . . . . . . . . . . . 4577 1 105 3JHNHA . 1 1 149 149 ASN H . . . . 1 1 149 149 ASN HA . . . 9.103 . . 0.880 . . . . . . . . . . . 4577 1 106 3JHNHA . 1 1 151 151 ALA H . . . . 1 1 151 151 ALA HA . . . 4.118 . . 0.177 . . . . . . . . . . . 4577 1 107 3JHNHA . 1 1 152 152 LEU H . . . . 1 1 152 152 LEU HA . . . 4.661 . . 0.248 . . . . . . . . . . . 4577 1 108 3JHNHA . 1 1 153 153 ILE H . . . . 1 1 153 153 ILE HA . . . 5.347 . . 0.441 . . . . . . . . . . . 4577 1 109 3JHNHA . 1 1 154 154 VAL H . . . . 1 1 154 154 VAL HA . . . 3.837 . . 0.427 . . . . . . . . . . . 4577 1 110 3JHNHA . 1 1 155 155 GLU H . . . . 1 1 155 155 GLU HA . . . 3.446 . . 0.249 . . . . . . . . . . . 4577 1 111 3JHNHA . 1 1 156 156 PHE H . . . . 1 1 156 156 PHE HA . . . 2.665 . . 0.383 . . . . . . . . . . . 4577 1 112 3JHNHA . 1 1 157 157 TYR H . . . . 1 1 157 157 TYR HA . . . 6.275 . . 0.327 . . . . . . . . . . . 4577 1 113 3JHNHA . 1 1 159 159 ARG H . . . . 1 1 159 159 ARG HA . . . 7.178 . . 0.035 . . . . . . . . . . . 4577 1 stop_ save_