data_4156 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4156 _Entry.Title ; The Structure in Solution of the b Domain of Protein Disulfide Isomerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-02 _Entry.Accession_date 1998-07-02 _Entry.Last_release_date 1999-08-06 _Entry.Original_release_date 1999-08-06 _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 J. Kemmink . . . 4156 2 K. Dijkstra . . . 4156 3 M. Mariani . . . 4156 4 R. Scheek . M. . 4156 5 E. Penka . . . 4156 6 M. Nilges . . . 4156 7 N. Darby . J. . 4156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 4156 '15N chemical shifts' 116 4156 '1H chemical shifts' 765 4156 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 . . 1999-08-06 1998-07-02 original author . 4156 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4156 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99309858 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kemmink, J., Dijkstra, K., Mariani, M., Scheek, R.M., Penka, E., Nilges, M., and Darby, N.J., "The Structure in Solution of the b Domain of Protein Disulfide Isomerase," J. Biomol. NMR 13, 357-368 (1999). ; _Citation.Title ; The Structure in Solution of the b Domain of Protein Disulfide Isomerase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _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 357 _Citation.Page_last 368 _Citation.Year 1999 _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 J. Kemmink . . . 4156 1 2 K. Dijkstra . . . 4156 1 3 M. Mariani . . . 4156 1 4 R. Scheek . M. . 4156 1 5 E. Penka . . . 4156 1 6 M. Nilges . . . 4156 1 7 N. Darby . J. . 4156 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'electron transport' 4156 1 'endoplasmic reticulum' 4156 1 isomerase 4156 1 'redox-active center' 4156 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4156 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D S' Wishart D. S. . 4156 2 2 'C G' Bigam C. G. . 4156 2 3 J Yao J. . . 4156 2 4 F Abildgaard F. . . 4156 2 5 'H J' Dyson H. J. . 4156 2 6 E Oldfield E. . . 4156 2 7 'J L' Markley J. L. . 4156 2 8 'B D' Sykes B. D. . 4156 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PDI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PDI _Assembly.Entry_ID 4156 _Assembly.ID 1 _Assembly.Name 'Protein Disulfide Isomerase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12062 _Assembly.Enzyme_commission_number 5.3.4.1 _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 4156 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 PDI 1 $PDI . . . native . . . . . 4156 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BJX . 'Human Protein Disulfide Isomerase, Nmr, 24 Structures' . . . . 4156 1 yes PDB 2BJX . 'Chain A, Protein Disulfide Isomerase' . . . . 4156 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PDI abbreviation 4156 1 'Protein Disulfide Isomerase' system 4156 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'disulfide bond formation' 4156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDI _Entity.Sf_category entity _Entity.Sf_framecode PDI _Entity.Entry_ID 4156 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein Disulfide Isomerase' _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 ; AATTLPDGAAAESLVESSEV AVIGFFKDVESDSAKQFLQA AEAIDDIPFGITSNSDVFSK YQLDKDGVVLFKKFDEGRNN FEGEVTKENLLDFIKHNQLP LVIEFTEQTA ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15303 . bb-PDI . . . . . 100.00 228 100.00 100.00 7.87e-69 . . . . 4156 1 2 no BMRB 15974 . "b-b'-x" . . . . . 100.00 236 100.00 100.00 1.43e-68 . . . . 4156 1 3 no PDB 1BJX . "Human Protein Disulfide Isomerase, Nmr, 24 Structures" . . . . . 100.00 110 100.00 100.00 2.11e-70 . . . . 4156 1 4 no PDB 2BJX . "Protein Disulfide Isomerase" . . . . . 100.00 110 100.00 100.00 2.11e-70 . . . . 4156 1 5 no PDB 2K18 . "Solution Structure Of Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 100.00 228 100.00 100.00 7.87e-69 . . . . 4156 1 6 no PDB 3UEM . "Crystal Structure Of Human Pdi Bb'a' Domains" . . . . . 99.09 361 100.00 100.00 2.59e-66 . . . . 4156 1 7 no PDB 4EKZ . "Crystal Structure Of Reduced Hpdi (abb'xa')" . . . . . 100.00 482 100.00 100.00 3.90e-66 . . . . 4156 1 8 no PDB 4EL1 . "Crystal Structure Of Oxidized Hpdi (abb'xa')" . . . . . 100.00 482 100.00 100.00 3.90e-66 . . . . 4156 1 9 no PDB 4JU5 . "Crystal Structure Of The Dimeric Form Of The Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 100.00 238 100.00 100.00 1.26e-68 . . . . 4156 1 10 no DBJ BAE79726 . "protein disulfide isomerase [Macaca fuscata]" . . . . . 100.00 510 99.09 100.00 6.73e-65 . . . . 4156 1 11 no DBJ BAE87231 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 510 99.09 100.00 5.06e-65 . . . . 4156 1 12 no DBJ BAE88032 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 336 98.18 99.09 2.50e-66 . . . . 4156 1 13 no DBJ BAG37999 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 14 no DBJ BAG58932 . "unnamed protein product [Homo sapiens]" . . . . . 97.27 242 99.07 100.00 1.12e-66 . . . . 4156 1 15 no EMBL CAA28775 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.17e-66 . . . . 4156 1 16 no EMBL CAH93050 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 508 98.18 99.09 8.69e-65 . . . . 4156 1 17 no GB AAA61169 . "thyroid hormone binding protein precursor [Homo sapiens]" . . . . . 100.00 508 99.09 99.09 1.52e-64 . . . . 4156 1 18 no GB AAC13652 . "prolyl 4-hydroxylase beta-subunit [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 19 no GB AAH10859 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 20 no GB AAH29617 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 21 no GB AAH71892 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 22 no REF NP_000909 . "protein disulfide-isomerase precursor [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 23 no REF NP_001126805 . "protein disulfide-isomerase precursor [Pongo abelii]" . . . . . 100.00 508 98.18 99.09 8.69e-65 . . . . 4156 1 24 no REF NP_001233358 . "protein disulfide-isomerase precursor [Pan troglodytes]" . . . . . 100.00 508 100.00 100.00 6.54e-66 . . . . 4156 1 25 no REF XP_002764185 . "PREDICTED: protein disulfide-isomerase isoform X2 [Callithrix jacchus]" . . . . . 100.00 510 97.27 100.00 2.59e-64 . . . . 4156 1 26 no REF XP_003282223 . "PREDICTED: protein disulfide-isomerase isoform X1 [Nomascus leucogenys]" . . . . . 100.00 505 97.27 97.27 6.80e-62 . . . . 4156 1 27 no SP P07237 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 100.00 508 100.00 100.00 6.40e-66 . . . . 4156 1 28 no SP Q2HWU2 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Prolyl 4-hydroxylase subunit beta; Flags: Precursor" . . . . . 100.00 510 99.09 100.00 6.73e-65 . . . . 4156 1 29 no SP Q5R5B6 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 100.00 508 98.18 99.09 8.69e-65 . . . . 4156 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PDI abbreviation 4156 1 'Protein Disulfide Isomerase' common 4156 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 1 119 ALA . 4156 1 2 120 ALA . 4156 1 3 121 THR . 4156 1 4 122 THR . 4156 1 5 123 LEU . 4156 1 6 124 PRO . 4156 1 7 125 ASP . 4156 1 8 126 GLY . 4156 1 9 127 ALA . 4156 1 10 128 ALA . 4156 1 11 129 ALA . 4156 1 12 130 GLU . 4156 1 13 131 SER . 4156 1 14 132 LEU . 4156 1 15 133 VAL . 4156 1 16 134 GLU . 4156 1 17 135 SER . 4156 1 18 136 SER . 4156 1 19 137 GLU . 4156 1 20 138 VAL . 4156 1 21 139 ALA . 4156 1 22 140 VAL . 4156 1 23 141 ILE . 4156 1 24 142 GLY . 4156 1 25 143 PHE . 4156 1 26 144 PHE . 4156 1 27 145 LYS . 4156 1 28 146 ASP . 4156 1 29 147 VAL . 4156 1 30 148 GLU . 4156 1 31 149 SER . 4156 1 32 150 ASP . 4156 1 33 151 SER . 4156 1 34 152 ALA . 4156 1 35 153 LYS . 4156 1 36 154 GLN . 4156 1 37 155 PHE . 4156 1 38 156 LEU . 4156 1 39 157 GLN . 4156 1 40 158 ALA . 4156 1 41 159 ALA . 4156 1 42 160 GLU . 4156 1 43 161 ALA . 4156 1 44 162 ILE . 4156 1 45 163 ASP . 4156 1 46 164 ASP . 4156 1 47 165 ILE . 4156 1 48 166 PRO . 4156 1 49 167 PHE . 4156 1 50 168 GLY . 4156 1 51 169 ILE . 4156 1 52 170 THR . 4156 1 53 171 SER . 4156 1 54 172 ASN . 4156 1 55 173 SER . 4156 1 56 174 ASP . 4156 1 57 175 VAL . 4156 1 58 176 PHE . 4156 1 59 177 SER . 4156 1 60 178 LYS . 4156 1 61 179 TYR . 4156 1 62 180 GLN . 4156 1 63 181 LEU . 4156 1 64 182 ASP . 4156 1 65 183 LYS . 4156 1 66 184 ASP . 4156 1 67 185 GLY . 4156 1 68 186 VAL . 4156 1 69 187 VAL . 4156 1 70 188 LEU . 4156 1 71 189 PHE . 4156 1 72 190 LYS . 4156 1 73 191 LYS . 4156 1 74 192 PHE . 4156 1 75 193 ASP . 4156 1 76 194 GLU . 4156 1 77 195 GLY . 4156 1 78 196 ARG . 4156 1 79 197 ASN . 4156 1 80 198 ASN . 4156 1 81 199 PHE . 4156 1 82 200 GLU . 4156 1 83 201 GLY . 4156 1 84 202 GLU . 4156 1 85 203 VAL . 4156 1 86 204 THR . 4156 1 87 205 LYS . 4156 1 88 206 GLU . 4156 1 89 207 ASN . 4156 1 90 208 LEU . 4156 1 91 209 LEU . 4156 1 92 210 ASP . 4156 1 93 211 PHE . 4156 1 94 212 ILE . 4156 1 95 213 LYS . 4156 1 96 214 HIS . 4156 1 97 215 ASN . 4156 1 98 216 GLN . 4156 1 99 217 LEU . 4156 1 100 218 PRO . 4156 1 101 219 LEU . 4156 1 102 220 VAL . 4156 1 103 221 ILE . 4156 1 104 222 GLU . 4156 1 105 223 PHE . 4156 1 106 224 THR . 4156 1 107 225 GLU . 4156 1 108 226 GLN . 4156 1 109 227 THR . 4156 1 110 228 ALA . 4156 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 . ALA 1 1 4156 1 . ALA 2 2 4156 1 . THR 3 3 4156 1 . THR 4 4 4156 1 . LEU 5 5 4156 1 . PRO 6 6 4156 1 . ASP 7 7 4156 1 . GLY 8 8 4156 1 . ALA 9 9 4156 1 . ALA 10 10 4156 1 . ALA 11 11 4156 1 . GLU 12 12 4156 1 . SER 13 13 4156 1 . LEU 14 14 4156 1 . VAL 15 15 4156 1 . GLU 16 16 4156 1 . SER 17 17 4156 1 . SER 18 18 4156 1 . GLU 19 19 4156 1 . VAL 20 20 4156 1 . ALA 21 21 4156 1 . VAL 22 22 4156 1 . ILE 23 23 4156 1 . GLY 24 24 4156 1 . PHE 25 25 4156 1 . PHE 26 26 4156 1 . LYS 27 27 4156 1 . ASP 28 28 4156 1 . VAL 29 29 4156 1 . GLU 30 30 4156 1 . SER 31 31 4156 1 . ASP 32 32 4156 1 . SER 33 33 4156 1 . ALA 34 34 4156 1 . LYS 35 35 4156 1 . GLN 36 36 4156 1 . PHE 37 37 4156 1 . LEU 38 38 4156 1 . GLN 39 39 4156 1 . ALA 40 40 4156 1 . ALA 41 41 4156 1 . GLU 42 42 4156 1 . ALA 43 43 4156 1 . ILE 44 44 4156 1 . ASP 45 45 4156 1 . ASP 46 46 4156 1 . ILE 47 47 4156 1 . PRO 48 48 4156 1 . PHE 49 49 4156 1 . GLY 50 50 4156 1 . ILE 51 51 4156 1 . THR 52 52 4156 1 . SER 53 53 4156 1 . ASN 54 54 4156 1 . SER 55 55 4156 1 . ASP 56 56 4156 1 . VAL 57 57 4156 1 . PHE 58 58 4156 1 . SER 59 59 4156 1 . LYS 60 60 4156 1 . TYR 61 61 4156 1 . GLN 62 62 4156 1 . LEU 63 63 4156 1 . ASP 64 64 4156 1 . LYS 65 65 4156 1 . ASP 66 66 4156 1 . GLY 67 67 4156 1 . VAL 68 68 4156 1 . VAL 69 69 4156 1 . LEU 70 70 4156 1 . PHE 71 71 4156 1 . LYS 72 72 4156 1 . LYS 73 73 4156 1 . PHE 74 74 4156 1 . ASP 75 75 4156 1 . GLU 76 76 4156 1 . GLY 77 77 4156 1 . ARG 78 78 4156 1 . ASN 79 79 4156 1 . ASN 80 80 4156 1 . PHE 81 81 4156 1 . GLU 82 82 4156 1 . GLY 83 83 4156 1 . GLU 84 84 4156 1 . VAL 85 85 4156 1 . THR 86 86 4156 1 . LYS 87 87 4156 1 . GLU 88 88 4156 1 . ASN 89 89 4156 1 . LEU 90 90 4156 1 . LEU 91 91 4156 1 . ASP 92 92 4156 1 . PHE 93 93 4156 1 . ILE 94 94 4156 1 . LYS 95 95 4156 1 . HIS 96 96 4156 1 . ASN 97 97 4156 1 . GLN 98 98 4156 1 . LEU 99 99 4156 1 . PRO 100 100 4156 1 . LEU 101 101 4156 1 . VAL 102 102 4156 1 . ILE 103 103 4156 1 . GLU 104 104 4156 1 . PHE 105 105 4156 1 . THR 106 106 4156 1 . GLU 107 107 4156 1 . GLN 108 108 4156 1 . THR 109 109 4156 1 . ALA 110 110 4156 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 4156 _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 $PDI . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4156 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 4156 _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 $PDI . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . . . . . . . . 4156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4156 _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 'Protein Disulfide Isomerase' '[U-13C; U-15N]' . . 1 $PDI . . . 1 2 mM . . . . 4156 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4156 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.001 na 4156 1 pH 6.5 0.1 na 4156 1 temperature 300 1 K 4156 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'UNITY INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4156 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4156 _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_one Varian 'UNITY INOVA' . 600 . . . 4156 1 2 NMR_spectrometer_two Bruker AMX . 600 . . . 4156 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 4156 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4156 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4156 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 2 $citation_one . . . . 4156 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4156 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4156 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 ALA HA H 1 3.83 . . 1 . . . . . . . . 4156 1 2 . 1 1 1 1 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4156 1 3 . 1 1 1 1 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4156 1 4 . 1 1 1 1 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4156 1 5 . 1 1 1 1 ALA C C 13 173.7 . . 1 . . . . . . . . 4156 1 6 . 1 1 1 1 ALA CA C 13 51.8 . . 1 . . . . . . . . 4156 1 7 . 1 1 1 1 ALA CB C 13 19.8 . . 1 . . . . . . . . 4156 1 8 . 1 1 2 2 ALA H H 1 8.79 . . 1 . . . . . . . . 4156 1 9 . 1 1 2 2 ALA HA H 1 4.76 . . 1 . . . . . . . . 4156 1 10 . 1 1 2 2 ALA HB1 H 1 1.12 . . 1 . . . . . . . . 4156 1 11 . 1 1 2 2 ALA HB2 H 1 1.12 . . 1 . . . . . . . . 4156 1 12 . 1 1 2 2 ALA HB3 H 1 1.12 . . 1 . . . . . . . . 4156 1 13 . 1 1 2 2 ALA C C 13 177.0 . . 1 . . . . . . . . 4156 1 14 . 1 1 2 2 ALA CA C 13 51.8 . . 1 . . . . . . . . 4156 1 15 . 1 1 2 2 ALA CB C 13 19.2 . . 1 . . . . . . . . 4156 1 16 . 1 1 2 2 ALA N N 15 124.3 . . 1 . . . . . . . . 4156 1 17 . 1 1 3 3 THR H H 1 8.83 . . 1 . . . . . . . . 4156 1 18 . 1 1 3 3 THR HA H 1 4.52 . . 1 . . . . . . . . 4156 1 19 . 1 1 3 3 THR HB H 1 4.09 . . 1 . . . . . . . . 4156 1 20 . 1 1 3 3 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4156 1 21 . 1 1 3 3 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4156 1 22 . 1 1 3 3 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4156 1 23 . 1 1 3 3 THR C C 13 174.2 . . 1 . . . . . . . . 4156 1 24 . 1 1 3 3 THR CA C 13 62.2 . . 1 . . . . . . . . 4156 1 25 . 1 1 3 3 THR CB C 13 70.9 . . 1 . . . . . . . . 4156 1 26 . 1 1 3 3 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4156 1 27 . 1 1 3 3 THR N N 15 121.9 . . 1 . . . . . . . . 4156 1 28 . 1 1 4 4 THR H H 1 9.03 . . 1 . . . . . . . . 4156 1 29 . 1 1 4 4 THR HA H 1 4.65 . . 1 . . . . . . . . 4156 1 30 . 1 1 4 4 THR HB H 1 4.12 . . 1 . . . . . . . . 4156 1 31 . 1 1 4 4 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4156 1 32 . 1 1 4 4 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4156 1 33 . 1 1 4 4 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4156 1 34 . 1 1 4 4 THR CA C 13 64.0 . . 1 . . . . . . . . 4156 1 35 . 1 1 4 4 THR CB C 13 69.2 . . 1 . . . . . . . . 4156 1 36 . 1 1 4 4 THR CG2 C 13 21.1 . . 1 . . . . . . . . 4156 1 37 . 1 1 4 4 THR N N 15 126.5 . . 1 . . . . . . . . 4156 1 38 . 1 1 5 5 LEU H H 1 9.11 . . 1 . . . . . . . . 4156 1 39 . 1 1 5 5 LEU HA H 1 5.06 . . 1 . . . . . . . . 4156 1 40 . 1 1 5 5 LEU HB2 H 1 1.98 . . 1 . . . . . . . . 4156 1 41 . 1 1 5 5 LEU HB3 H 1 1.10 . . 1 . . . . . . . . 4156 1 42 . 1 1 5 5 LEU HG H 1 1.88 . . 1 . . . . . . . . 4156 1 43 . 1 1 5 5 LEU HD11 H 1 0.74 . . 1 . . . . . . . . 4156 1 44 . 1 1 5 5 LEU HD12 H 1 0.74 . . 1 . . . . . . . . 4156 1 45 . 1 1 5 5 LEU HD13 H 1 0.74 . . 1 . . . . . . . . 4156 1 46 . 1 1 5 5 LEU HD21 H 1 0.70 . . 1 . . . . . . . . 4156 1 47 . 1 1 5 5 LEU HD22 H 1 0.70 . . 1 . . . . . . . . 4156 1 48 . 1 1 5 5 LEU HD23 H 1 0.70 . . 1 . . . . . . . . 4156 1 49 . 1 1 5 5 LEU CA C 13 50.5 . . 1 . . . . . . . . 4156 1 50 . 1 1 5 5 LEU CB C 13 42.0 . . 1 . . . . . . . . 4156 1 51 . 1 1 5 5 LEU CG C 13 25.2 . . 1 . . . . . . . . 4156 1 52 . 1 1 5 5 LEU CD1 C 13 23.1 . . 1 . . . . . . . . 4156 1 53 . 1 1 5 5 LEU CD2 C 13 27.2 . . 1 . . . . . . . . 4156 1 54 . 1 1 5 5 LEU N N 15 128.7 . . 1 . . . . . . . . 4156 1 55 . 1 1 6 6 PRO HA H 1 4.56 . . 1 . . . . . . . . 4156 1 56 . 1 1 6 6 PRO HB2 H 1 2.46 . . 1 . . . . . . . . 4156 1 57 . 1 1 6 6 PRO HB3 H 1 2.04 . . 1 . . . . . . . . 4156 1 58 . 1 1 6 6 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4156 1 59 . 1 1 6 6 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4156 1 60 . 1 1 6 6 PRO HD2 H 1 4.05 . . 2 . . . . . . . . 4156 1 61 . 1 1 6 6 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 4156 1 62 . 1 1 6 6 PRO C C 13 175.5 . . 1 . . . . . . . . 4156 1 63 . 1 1 6 6 PRO CA C 13 64.3 . . 1 . . . . . . . . 4156 1 64 . 1 1 6 6 PRO CB C 13 32.9 . . 1 . . . . . . . . 4156 1 65 . 1 1 6 6 PRO CG C 13 27.0 . . 1 . . . . . . . . 4156 1 66 . 1 1 6 6 PRO CD C 13 52.1 . . 1 . . . . . . . . 4156 1 67 . 1 1 7 7 ASP H H 1 7.15 . . 1 . . . . . . . . 4156 1 68 . 1 1 7 7 ASP HA H 1 4.46 . . 1 . . . . . . . . 4156 1 69 . 1 1 7 7 ASP HB2 H 1 3.07 . . 1 . . . . . . . . 4156 1 70 . 1 1 7 7 ASP HB3 H 1 2.93 . . 1 . . . . . . . . 4156 1 71 . 1 1 7 7 ASP C C 13 175.5 . . 1 . . . . . . . . 4156 1 72 . 1 1 7 7 ASP CA C 13 52.8 . . 1 . . . . . . . . 4156 1 73 . 1 1 7 7 ASP CB C 13 42.2 . . 1 . . . . . . . . 4156 1 74 . 1 1 7 7 ASP N N 15 113.8 . . 1 . . . . . . . . 4156 1 75 . 1 1 8 8 GLY H H 1 9.19 . . 1 . . . . . . . . 4156 1 76 . 1 1 8 8 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4156 1 77 . 1 1 8 8 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4156 1 78 . 1 1 8 8 GLY C C 13 175.1 . . 1 . . . . . . . . 4156 1 79 . 1 1 8 8 GLY CA C 13 47.5 . . 1 . . . . . . . . 4156 1 80 . 1 1 8 8 GLY N N 15 108.4 . . 1 . . . . . . . . 4156 1 81 . 1 1 9 9 ALA H H 1 8.11 . . 1 . . . . . . . . 4156 1 82 . 1 1 9 9 ALA HA H 1 4.22 . . 1 . . . . . . . . 4156 1 83 . 1 1 9 9 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4156 1 84 . 1 1 9 9 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4156 1 85 . 1 1 9 9 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4156 1 86 . 1 1 9 9 ALA C C 13 180.6 . . 1 . . . . . . . . 4156 1 87 . 1 1 9 9 ALA CA C 13 55.0 . . 1 . . . . . . . . 4156 1 88 . 1 1 9 9 ALA CB C 13 17.7 . . 1 . . . . . . . . 4156 1 89 . 1 1 9 9 ALA N N 15 126.9 . . 1 . . . . . . . . 4156 1 90 . 1 1 10 10 ALA H H 1 8.29 . . 1 . . . . . . . . 4156 1 91 . 1 1 10 10 ALA HA H 1 4.23 . . 1 . . . . . . . . 4156 1 92 . 1 1 10 10 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 4156 1 93 . 1 1 10 10 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 4156 1 94 . 1 1 10 10 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 4156 1 95 . 1 1 10 10 ALA C C 13 180.7 . . 1 . . . . . . . . 4156 1 96 . 1 1 10 10 ALA CA C 13 54.8 . . 1 . . . . . . . . 4156 1 97 . 1 1 10 10 ALA CB C 13 18.7 . . 1 . . . . . . . . 4156 1 98 . 1 1 10 10 ALA N N 15 123.1 . . 1 . . . . . . . . 4156 1 99 . 1 1 11 11 ALA H H 1 7.67 . . 1 . . . . . . . . 4156 1 100 . 1 1 11 11 ALA HA H 1 4.01 . . 1 . . . . . . . . 4156 1 101 . 1 1 11 11 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4156 1 102 . 1 1 11 11 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4156 1 103 . 1 1 11 11 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4156 1 104 . 1 1 11 11 ALA C C 13 177.2 . . 1 . . . . . . . . 4156 1 105 . 1 1 11 11 ALA CA C 13 55.9 . . 1 . . . . . . . . 4156 1 106 . 1 1 11 11 ALA CB C 13 18.7 . . 1 . . . . . . . . 4156 1 107 . 1 1 11 11 ALA N N 15 122.4 . . 1 . . . . . . . . 4156 1 108 . 1 1 12 12 GLU H H 1 8.53 . . 1 . . . . . . . . 4156 1 109 . 1 1 12 12 GLU HA H 1 3.84 . . 1 . . . . . . . . 4156 1 110 . 1 1 12 12 GLU HB2 H 1 2.06 . . 1 . . . . . . . . 4156 1 111 . 1 1 12 12 GLU HB3 H 1 2.06 . . 1 . . . . . . . . 4156 1 112 . 1 1 12 12 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4156 1 113 . 1 1 12 12 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4156 1 114 . 1 1 12 12 GLU C C 13 178.9 . . 1 . . . . . . . . 4156 1 115 . 1 1 12 12 GLU CA C 13 59.6 . . 1 . . . . . . . . 4156 1 116 . 1 1 12 12 GLU CB C 13 29.5 . . 1 . . . . . . . . 4156 1 117 . 1 1 12 12 GLU CG C 13 36.4 . . 1 . . . . . . . . 4156 1 118 . 1 1 12 12 GLU N N 15 118.9 . . 1 . . . . . . . . 4156 1 119 . 1 1 13 13 SER H H 1 7.97 . . 1 . . . . . . . . 4156 1 120 . 1 1 13 13 SER HA H 1 4.22 . . 1 . . . . . . . . 4156 1 121 . 1 1 13 13 SER HB2 H 1 3.98 . . 1 . . . . . . . . 4156 1 122 . 1 1 13 13 SER HB3 H 1 3.93 . . 1 . . . . . . . . 4156 1 123 . 1 1 13 13 SER C C 13 176.8 . . 1 . . . . . . . . 4156 1 124 . 1 1 13 13 SER CA C 13 61.7 . . 1 . . . . . . . . 4156 1 125 . 1 1 13 13 SER CB C 13 63.1 . . 1 . . . . . . . . 4156 1 126 . 1 1 13 13 SER N N 15 114.4 . . 1 . . . . . . . . 4156 1 127 . 1 1 14 14 LEU H H 1 7.52 . . 1 . . . . . . . . 4156 1 128 . 1 1 14 14 LEU HA H 1 4.07 . . 1 . . . . . . . . 4156 1 129 . 1 1 14 14 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 4156 1 130 . 1 1 14 14 LEU HB3 H 1 1.87 . . 1 . . . . . . . . 4156 1 131 . 1 1 14 14 LEU HG H 1 1.36 . . 1 . . . . . . . . 4156 1 132 . 1 1 14 14 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 4156 1 133 . 1 1 14 14 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 4156 1 134 . 1 1 14 14 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 4156 1 135 . 1 1 14 14 LEU HD21 H 1 0.71 . . 1 . . . . . . . . 4156 1 136 . 1 1 14 14 LEU HD22 H 1 0.71 . . 1 . . . . . . . . 4156 1 137 . 1 1 14 14 LEU HD23 H 1 0.71 . . 1 . . . . . . . . 4156 1 138 . 1 1 14 14 LEU C C 13 179.2 . . 1 . . . . . . . . 4156 1 139 . 1 1 14 14 LEU CA C 13 58.9 . . 1 . . . . . . . . 4156 1 140 . 1 1 14 14 LEU CB C 13 41.9 . . 1 . . . . . . . . 4156 1 141 . 1 1 14 14 LEU CG C 13 27.2 . . 1 . . . . . . . . 4156 1 142 . 1 1 14 14 LEU CD1 C 13 24.7 . . 1 . . . . . . . . 4156 1 143 . 1 1 14 14 LEU CD2 C 13 26.5 . . 1 . . . . . . . . 4156 1 144 . 1 1 14 14 LEU N N 15 124.7 . . 1 . . . . . . . . 4156 1 145 . 1 1 15 15 VAL H H 1 8.03 . . 1 . . . . . . . . 4156 1 146 . 1 1 15 15 VAL HA H 1 3.15 . . 1 . . . . . . . . 4156 1 147 . 1 1 15 15 VAL HB H 1 1.78 . . 1 . . . . . . . . 4156 1 148 . 1 1 15 15 VAL HG11 H 1 0.54 . . 1 . . . . . . . . 4156 1 149 . 1 1 15 15 VAL HG12 H 1 0.54 . . 1 . . . . . . . . 4156 1 150 . 1 1 15 15 VAL HG13 H 1 0.54 . . 1 . . . . . . . . 4156 1 151 . 1 1 15 15 VAL HG21 H 1 0.16 . . 1 . . . . . . . . 4156 1 152 . 1 1 15 15 VAL HG22 H 1 0.16 . . 1 . . . . . . . . 4156 1 153 . 1 1 15 15 VAL HG23 H 1 0.16 . . 1 . . . . . . . . 4156 1 154 . 1 1 15 15 VAL C C 13 177.7 . . 1 . . . . . . . . 4156 1 155 . 1 1 15 15 VAL CA C 13 67.0 . . 1 . . . . . . . . 4156 1 156 . 1 1 15 15 VAL CB C 13 31.4 . . 1 . . . . . . . . 4156 1 157 . 1 1 15 15 VAL CG1 C 13 21.1 . . 1 . . . . . . . . 4156 1 158 . 1 1 15 15 VAL CG2 C 13 22.0 . . 1 . . . . . . . . 4156 1 159 . 1 1 15 15 VAL N N 15 121.1 . . 1 . . . . . . . . 4156 1 160 . 1 1 16 16 GLU H H 1 8.21 . . 1 . . . . . . . . 4156 1 161 . 1 1 16 16 GLU HA H 1 4.08 . . 1 . . . . . . . . 4156 1 162 . 1 1 16 16 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 4156 1 163 . 1 1 16 16 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 4156 1 164 . 1 1 16 16 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4156 1 165 . 1 1 16 16 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4156 1 166 . 1 1 16 16 GLU C C 13 178.6 . . 1 . . . . . . . . 4156 1 167 . 1 1 16 16 GLU CA C 13 58.5 . . 1 . . . . . . . . 4156 1 168 . 1 1 16 16 GLU CB C 13 29.4 . . 1 . . . . . . . . 4156 1 169 . 1 1 16 16 GLU CG C 13 36.1 . . 1 . . . . . . . . 4156 1 170 . 1 1 16 16 GLU N N 15 116.7 . . 1 . . . . . . . . 4156 1 171 . 1 1 17 17 SER H H 1 7.60 . . 1 . . . . . . . . 4156 1 172 . 1 1 17 17 SER HA H 1 4.40 . . 1 . . . . . . . . 4156 1 173 . 1 1 17 17 SER HB2 H 1 4.14 . . 2 . . . . . . . . 4156 1 174 . 1 1 17 17 SER HB3 H 1 4.08 . . 2 . . . . . . . . 4156 1 175 . 1 1 17 17 SER C C 13 173.8 . . 1 . . . . . . . . 4156 1 176 . 1 1 17 17 SER CA C 13 60.1 . . 1 . . . . . . . . 4156 1 177 . 1 1 17 17 SER CB C 13 64.7 . . 1 . . . . . . . . 4156 1 178 . 1 1 17 17 SER N N 15 114.2 . . 1 . . . . . . . . 4156 1 179 . 1 1 18 18 SER H H 1 7.15 . . 1 . . . . . . . . 4156 1 180 . 1 1 18 18 SER HA H 1 4.86 . . 1 . . . . . . . . 4156 1 181 . 1 1 18 18 SER HB2 H 1 3.70 . . 1 . . . . . . . . 4156 1 182 . 1 1 18 18 SER HB3 H 1 3.59 . . 1 . . . . . . . . 4156 1 183 . 1 1 18 18 SER C C 13 172.8 . . 1 . . . . . . . . 4156 1 184 . 1 1 18 18 SER CA C 13 57.6 . . 1 . . . . . . . . 4156 1 185 . 1 1 18 18 SER CB C 13 65.8 . . 1 . . . . . . . . 4156 1 186 . 1 1 18 18 SER N N 15 117.3 . . 1 . . . . . . . . 4156 1 187 . 1 1 19 19 GLU H H 1 8.79 . . 1 . . . . . . . . 4156 1 188 . 1 1 19 19 GLU HA H 1 3.96 . . 1 . . . . . . . . 4156 1 189 . 1 1 19 19 GLU HB2 H 1 2.30 . . 2 . . . . . . . . 4156 1 190 . 1 1 19 19 GLU HB3 H 1 2.21 . . 2 . . . . . . . . 4156 1 191 . 1 1 19 19 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 4156 1 192 . 1 1 19 19 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 4156 1 193 . 1 1 19 19 GLU C C 13 176.0 . . 1 . . . . . . . . 4156 1 194 . 1 1 19 19 GLU CA C 13 60.3 . . 1 . . . . . . . . 4156 1 195 . 1 1 19 19 GLU CB C 13 30.3 . . 1 . . . . . . . . 4156 1 196 . 1 1 19 19 GLU CG C 13 37.0 . . 1 . . . . . . . . 4156 1 197 . 1 1 19 19 GLU N N 15 126.2 . . 1 . . . . . . . . 4156 1 198 . 1 1 20 20 VAL H H 1 7.42 . . 1 . . . . . . . . 4156 1 199 . 1 1 20 20 VAL HA H 1 5.08 . . 1 . . . . . . . . 4156 1 200 . 1 1 20 20 VAL HB H 1 1.95 . . 1 . . . . . . . . 4156 1 201 . 1 1 20 20 VAL HG11 H 1 1.17 . . 1 . . . . . . . . 4156 1 202 . 1 1 20 20 VAL HG12 H 1 1.17 . . 1 . . . . . . . . 4156 1 203 . 1 1 20 20 VAL HG13 H 1 1.17 . . 1 . . . . . . . . 4156 1 204 . 1 1 20 20 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 4156 1 205 . 1 1 20 20 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 4156 1 206 . 1 1 20 20 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 4156 1 207 . 1 1 20 20 VAL CA C 13 60.8 . . 1 . . . . . . . . 4156 1 208 . 1 1 20 20 VAL CB C 13 35.8 . . 1 . . . . . . . . 4156 1 209 . 1 1 20 20 VAL CG1 C 13 22.6 . . 1 . . . . . . . . 4156 1 210 . 1 1 20 20 VAL CG2 C 13 21.5 . . 1 . . . . . . . . 4156 1 211 . 1 1 20 20 VAL N N 15 115.5 . . 1 . . . . . . . . 4156 1 212 . 1 1 21 21 ALA H H 1 9.09 . . 1 . . . . . . . . 4156 1 213 . 1 1 21 21 ALA HA H 1 4.86 . . 1 . . . . . . . . 4156 1 214 . 1 1 21 21 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 4156 1 215 . 1 1 21 21 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 4156 1 216 . 1 1 21 21 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 4156 1 217 . 1 1 21 21 ALA C C 13 175.0 . . 1 . . . . . . . . 4156 1 218 . 1 1 21 21 ALA CA C 13 51.3 . . 1 . . . . . . . . 4156 1 219 . 1 1 21 21 ALA CB C 13 22.7 . . 1 . . . . . . . . 4156 1 220 . 1 1 21 21 ALA N N 15 128.6 . . 1 . . . . . . . . 4156 1 221 . 1 1 22 22 VAL H H 1 8.11 . . 1 . . . . . . . . 4156 1 222 . 1 1 22 22 VAL HA H 1 5.13 . . 1 . . . . . . . . 4156 1 223 . 1 1 22 22 VAL HB H 1 1.28 . . 1 . . . . . . . . 4156 1 224 . 1 1 22 22 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 4156 1 225 . 1 1 22 22 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 4156 1 226 . 1 1 22 22 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 4156 1 227 . 1 1 22 22 VAL HG21 H 1 0.53 . . 1 . . . . . . . . 4156 1 228 . 1 1 22 22 VAL HG22 H 1 0.53 . . 1 . . . . . . . . 4156 1 229 . 1 1 22 22 VAL HG23 H 1 0.53 . . 1 . . . . . . . . 4156 1 230 . 1 1 22 22 VAL C C 13 174.7 . . 1 . . . . . . . . 4156 1 231 . 1 1 22 22 VAL CA C 13 61.0 . . 1 . . . . . . . . 4156 1 232 . 1 1 22 22 VAL CB C 13 34.5 . . 1 . . . . . . . . 4156 1 233 . 1 1 22 22 VAL CG1 C 13 22.6 . . 1 . . . . . . . . 4156 1 234 . 1 1 22 22 VAL CG2 C 13 21.6 . . 1 . . . . . . . . 4156 1 235 . 1 1 22 22 VAL N N 15 121.9 . . 1 . . . . . . . . 4156 1 236 . 1 1 23 23 ILE H H 1 9.17 . . 1 . . . . . . . . 4156 1 237 . 1 1 23 23 ILE HA H 1 4.86 . . 1 . . . . . . . . 4156 1 238 . 1 1 23 23 ILE HB H 1 1.47 . . 1 . . . . . . . . 4156 1 239 . 1 1 23 23 ILE HG12 H 1 1.44 . . 2 . . . . . . . . 4156 1 240 . 1 1 23 23 ILE HG13 H 1 0.50 . . 2 . . . . . . . . 4156 1 241 . 1 1 23 23 ILE HG21 H 1 -0.42 . . 1 . . . . . . . . 4156 1 242 . 1 1 23 23 ILE HG22 H 1 -0.42 . . 1 . . . . . . . . 4156 1 243 . 1 1 23 23 ILE HG23 H 1 -0.42 . . 1 . . . . . . . . 4156 1 244 . 1 1 23 23 ILE HD11 H 1 0.28 . . 1 . . . . . . . . 4156 1 245 . 1 1 23 23 ILE HD12 H 1 0.28 . . 1 . . . . . . . . 4156 1 246 . 1 1 23 23 ILE HD13 H 1 0.28 . . 1 . . . . . . . . 4156 1 247 . 1 1 23 23 ILE C C 13 173.4 . . 1 . . . . . . . . 4156 1 248 . 1 1 23 23 ILE CA C 13 60.5 . . 1 . . . . . . . . 4156 1 249 . 1 1 23 23 ILE CB C 13 40.5 . . 1 . . . . . . . . 4156 1 250 . 1 1 23 23 ILE CG1 C 13 28.1 . . 1 . . . . . . . . 4156 1 251 . 1 1 23 23 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 4156 1 252 . 1 1 23 23 ILE CD1 C 13 12.4 . . 1 . . . . . . . . 4156 1 253 . 1 1 23 23 ILE N N 15 126.1 . . 1 . . . . . . . . 4156 1 254 . 1 1 24 24 GLY H H 1 8.27 . . 1 . . . . . . . . 4156 1 255 . 1 1 24 24 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 4156 1 256 . 1 1 24 24 GLY HA3 H 1 1.93 . . 2 . . . . . . . . 4156 1 257 . 1 1 24 24 GLY C C 13 169.2 . . 1 . . . . . . . . 4156 1 258 . 1 1 24 24 GLY CA C 13 44.7 . . 1 . . . . . . . . 4156 1 259 . 1 1 24 24 GLY N N 15 117.6 . . 1 . . . . . . . . 4156 1 260 . 1 1 25 25 PHE H H 1 8.57 . . 1 . . . . . . . . 4156 1 261 . 1 1 25 25 PHE HA H 1 4.25 . . 1 . . . . . . . . 4156 1 262 . 1 1 25 25 PHE HB2 H 1 2.13 . . 1 . . . . . . . . 4156 1 263 . 1 1 25 25 PHE HB3 H 1 0.59 . . 1 . . . . . . . . 4156 1 264 . 1 1 25 25 PHE HD1 H 1 6.38 . . 1 . . . . . . . . 4156 1 265 . 1 1 25 25 PHE HD2 H 1 6.38 . . 1 . . . . . . . . 4156 1 266 . 1 1 25 25 PHE HE1 H 1 6.98 . . 1 . . . . . . . . 4156 1 267 . 1 1 25 25 PHE HE2 H 1 6.98 . . 1 . . . . . . . . 4156 1 268 . 1 1 25 25 PHE HZ H 1 6.56 . . 1 . . . . . . . . 4156 1 269 . 1 1 25 25 PHE CA C 13 55.3 . . 1 . . . . . . . . 4156 1 270 . 1 1 25 25 PHE CB C 13 36.8 . . 1 . . . . . . . . 4156 1 271 . 1 1 25 25 PHE CD1 C 13 133.3 . . 1 . . . . . . . . 4156 1 272 . 1 1 25 25 PHE CD2 C 13 133.3 . . 1 . . . . . . . . 4156 1 273 . 1 1 25 25 PHE CE1 C 13 130.4 . . 1 . . . . . . . . 4156 1 274 . 1 1 25 25 PHE CE2 C 13 130.4 . . 1 . . . . . . . . 4156 1 275 . 1 1 25 25 PHE CZ C 13 127.7 . . 1 . . . . . . . . 4156 1 276 . 1 1 25 25 PHE N N 15 129.8 . . 1 . . . . . . . . 4156 1 277 . 1 1 26 26 PHE H H 1 8.26 . . 1 . . . . . . . . 4156 1 278 . 1 1 26 26 PHE HA H 1 5.01 . . 1 . . . . . . . . 4156 1 279 . 1 1 26 26 PHE HB2 H 1 2.33 . . 1 . . . . . . . . 4156 1 280 . 1 1 26 26 PHE HB3 H 1 2.92 . . 1 . . . . . . . . 4156 1 281 . 1 1 26 26 PHE HD1 H 1 7.00 . . 1 . . . . . . . . 4156 1 282 . 1 1 26 26 PHE HD2 H 1 7.00 . . 1 . . . . . . . . 4156 1 283 . 1 1 26 26 PHE HE1 H 1 6.63 . . 1 . . . . . . . . 4156 1 284 . 1 1 26 26 PHE HE2 H 1 6.63 . . 1 . . . . . . . . 4156 1 285 . 1 1 26 26 PHE HZ H 1 6.61 . . 1 . . . . . . . . 4156 1 286 . 1 1 26 26 PHE C C 13 174.4 . . 1 . . . . . . . . 4156 1 287 . 1 1 26 26 PHE CA C 13 56.1 . . 1 . . . . . . . . 4156 1 288 . 1 1 26 26 PHE CB C 13 43.2 . . 1 . . . . . . . . 4156 1 289 . 1 1 26 26 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 4156 1 290 . 1 1 26 26 PHE CD2 C 13 132.2 . . 1 . . . . . . . . 4156 1 291 . 1 1 26 26 PHE CE1 C 13 129.9 . . 1 . . . . . . . . 4156 1 292 . 1 1 26 26 PHE CE2 C 13 129.9 . . 1 . . . . . . . . 4156 1 293 . 1 1 26 26 PHE CZ C 13 128.4 . . 1 . . . . . . . . 4156 1 294 . 1 1 26 26 PHE N N 15 118.7 . . 1 . . . . . . . . 4156 1 295 . 1 1 27 27 LYS H H 1 9.48 . . 1 . . . . . . . . 4156 1 296 . 1 1 27 27 LYS HA H 1 4.07 . . 1 . . . . . . . . 4156 1 297 . 1 1 27 27 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 4156 1 298 . 1 1 27 27 LYS HB3 H 1 2.01 . . 1 . . . . . . . . 4156 1 299 . 1 1 27 27 LYS HG2 H 1 1.59 . . 2 . . . . . . . . 4156 1 300 . 1 1 27 27 LYS HG3 H 1 1.40 . . 2 . . . . . . . . 4156 1 301 . 1 1 27 27 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 4156 1 302 . 1 1 27 27 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 4156 1 303 . 1 1 27 27 LYS HE2 H 1 2.68 . . 2 . . . . . . . . 4156 1 304 . 1 1 27 27 LYS HE3 H 1 2.50 . . 2 . . . . . . . . 4156 1 305 . 1 1 27 27 LYS C C 13 176.7 . . 1 . . . . . . . . 4156 1 306 . 1 1 27 27 LYS CA C 13 59.0 . . 1 . . . . . . . . 4156 1 307 . 1 1 27 27 LYS CB C 13 32.1 . . 1 . . . . . . . . 4156 1 308 . 1 1 27 27 LYS CG C 13 25.0 . . 1 . . . . . . . . 4156 1 309 . 1 1 27 27 LYS CD C 13 28.5 . . 1 . . . . . . . . 4156 1 310 . 1 1 27 27 LYS CE C 13 41.7 . . 1 . . . . . . . . 4156 1 311 . 1 1 27 27 LYS N N 15 126.5 . . 1 . . . . . . . . 4156 1 312 . 1 1 28 28 ASP H H 1 9.00 . . 1 . . . . . . . . 4156 1 313 . 1 1 28 28 ASP HA H 1 5.08 . . 1 . . . . . . . . 4156 1 314 . 1 1 28 28 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 4156 1 315 . 1 1 28 28 ASP HB3 H 1 2.60 . . 2 . . . . . . . . 4156 1 316 . 1 1 28 28 ASP C C 13 177.8 . . 1 . . . . . . . . 4156 1 317 . 1 1 28 28 ASP CA C 13 52.0 . . 1 . . . . . . . . 4156 1 318 . 1 1 28 28 ASP CB C 13 42.1 . . 1 . . . . . . . . 4156 1 319 . 1 1 28 28 ASP N N 15 119.1 . . 1 . . . . . . . . 4156 1 320 . 1 1 29 29 VAL H H 1 8.66 . . 1 . . . . . . . . 4156 1 321 . 1 1 29 29 VAL HA H 1 3.82 . . 1 . . . . . . . . 4156 1 322 . 1 1 29 29 VAL HB H 1 2.39 . . 1 . . . . . . . . 4156 1 323 . 1 1 29 29 VAL HG11 H 1 1.07 . . 1 . . . . . . . . 4156 1 324 . 1 1 29 29 VAL HG12 H 1 1.07 . . 1 . . . . . . . . 4156 1 325 . 1 1 29 29 VAL HG13 H 1 1.07 . . 1 . . . . . . . . 4156 1 326 . 1 1 29 29 VAL HG21 H 1 0.99 . . 1 . . . . . . . . 4156 1 327 . 1 1 29 29 VAL HG22 H 1 0.99 . . 1 . . . . . . . . 4156 1 328 . 1 1 29 29 VAL HG23 H 1 0.99 . . 1 . . . . . . . . 4156 1 329 . 1 1 29 29 VAL CA C 13 64.3 . . 1 . . . . . . . . 4156 1 330 . 1 1 29 29 VAL CB C 13 30.7 . . 1 . . . . . . . . 4156 1 331 . 1 1 29 29 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4156 1 332 . 1 1 29 29 VAL CG2 C 13 19.0 . . 1 . . . . . . . . 4156 1 333 . 1 1 29 29 VAL N N 15 122.6 . . 1 . . . . . . . . 4156 1 334 . 1 1 30 30 GLU H H 1 8.29 . . 1 . . . . . . . . 4156 1 335 . 1 1 30 30 GLU HA H 1 4.41 . . 1 . . . . . . . . 4156 1 336 . 1 1 30 30 GLU HB2 H 1 1.95 . . 1 . . . . . . . . 4156 1 337 . 1 1 30 30 GLU HB3 H 1 2.31 . . 1 . . . . . . . . 4156 1 338 . 1 1 30 30 GLU HG2 H 1 2.33 . . 2 . . . . . . . . 4156 1 339 . 1 1 30 30 GLU HG3 H 1 2.13 . . 2 . . . . . . . . 4156 1 340 . 1 1 30 30 GLU C C 13 176.7 . . 1 . . . . . . . . 4156 1 341 . 1 1 30 30 GLU CA C 13 55.2 . . 1 . . . . . . . . 4156 1 342 . 1 1 30 30 GLU CB C 13 29.3 . . 1 . . . . . . . . 4156 1 343 . 1 1 30 30 GLU CG C 13 36.5 . . 1 . . . . . . . . 4156 1 344 . 1 1 30 30 GLU N N 15 118.8 . . 1 . . . . . . . . 4156 1 345 . 1 1 31 31 SER H H 1 7.62 . . 1 . . . . . . . . 4156 1 346 . 1 1 31 31 SER HA H 1 4.33 . . 1 . . . . . . . . 4156 1 347 . 1 1 31 31 SER HB2 H 1 4.47 . . 1 . . . . . . . . 4156 1 348 . 1 1 31 31 SER HB3 H 1 4.21 . . 1 . . . . . . . . 4156 1 349 . 1 1 31 31 SER C C 13 173.9 . . 1 . . . . . . . . 4156 1 350 . 1 1 31 31 SER CA C 13 58.5 . . 1 . . . . . . . . 4156 1 351 . 1 1 31 31 SER CB C 13 65.8 . . 1 . . . . . . . . 4156 1 352 . 1 1 31 31 SER N N 15 118.0 . . 1 . . . . . . . . 4156 1 353 . 1 1 32 32 ASP H H 1 8.99 . . 1 . . . . . . . . 4156 1 354 . 1 1 32 32 ASP HA H 1 4.34 . . 1 . . . . . . . . 4156 1 355 . 1 1 32 32 ASP HB2 H 1 2.75 . . 1 . . . . . . . . 4156 1 356 . 1 1 32 32 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 4156 1 357 . 1 1 32 32 ASP C C 13 179.3 . . 1 . . . . . . . . 4156 1 358 . 1 1 32 32 ASP CA C 13 58.4 . . 1 . . . . . . . . 4156 1 359 . 1 1 32 32 ASP CB C 13 40.4 . . 1 . . . . . . . . 4156 1 360 . 1 1 32 32 ASP N N 15 123.3 . . 1 . . . . . . . . 4156 1 361 . 1 1 33 33 SER H H 1 8.59 . . 1 . . . . . . . . 4156 1 362 . 1 1 33 33 SER HA H 1 4.12 . . 1 . . . . . . . . 4156 1 363 . 1 1 33 33 SER HB2 H 1 3.95 . . 1 . . . . . . . . 4156 1 364 . 1 1 33 33 SER HB3 H 1 3.95 . . 1 . . . . . . . . 4156 1 365 . 1 1 33 33 SER C C 13 174.7 . . 1 . . . . . . . . 4156 1 366 . 1 1 33 33 SER CA C 13 62.0 . . 1 . . . . . . . . 4156 1 367 . 1 1 33 33 SER CB C 13 62.6 . . 1 . . . . . . . . 4156 1 368 . 1 1 33 33 SER N N 15 115.9 . . 1 . . . . . . . . 4156 1 369 . 1 1 34 34 ALA H H 1 7.03 . . 1 . . . . . . . . 4156 1 370 . 1 1 34 34 ALA HA H 1 2.39 . . 1 . . . . . . . . 4156 1 371 . 1 1 34 34 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4156 1 372 . 1 1 34 34 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4156 1 373 . 1 1 34 34 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4156 1 374 . 1 1 34 34 ALA C C 13 179.7 . . 1 . . . . . . . . 4156 1 375 . 1 1 34 34 ALA CA C 13 54.8 . . 1 . . . . . . . . 4156 1 376 . 1 1 34 34 ALA CB C 13 19.0 . . 1 . . . . . . . . 4156 1 377 . 1 1 34 34 ALA N N 15 127.4 . . 1 . . . . . . . . 4156 1 378 . 1 1 35 35 LYS H H 1 8.14 . . 1 . . . . . . . . 4156 1 379 . 1 1 35 35 LYS HA H 1 3.85 . . 1 . . . . . . . . 4156 1 380 . 1 1 35 35 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 4156 1 381 . 1 1 35 35 LYS HB3 H 1 1.79 . . 1 . . . . . . . . 4156 1 382 . 1 1 35 35 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 4156 1 383 . 1 1 35 35 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 4156 1 384 . 1 1 35 35 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4156 1 385 . 1 1 35 35 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4156 1 386 . 1 1 35 35 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4156 1 387 . 1 1 35 35 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4156 1 388 . 1 1 35 35 LYS C C 13 180.5 . . 1 . . . . . . . . 4156 1 389 . 1 1 35 35 LYS CA C 13 60.4 . . 1 . . . . . . . . 4156 1 390 . 1 1 35 35 LYS CB C 13 32.2 . . 1 . . . . . . . . 4156 1 391 . 1 1 35 35 LYS CG C 13 26.1 . . 1 . . . . . . . . 4156 1 392 . 1 1 35 35 LYS CD C 13 29.4 . . 1 . . . . . . . . 4156 1 393 . 1 1 35 35 LYS CE C 13 42.4 . . 1 . . . . . . . . 4156 1 394 . 1 1 35 35 LYS N N 15 117.5 . . 1 . . . . . . . . 4156 1 395 . 1 1 36 36 GLN H H 1 7.91 . . 1 . . . . . . . . 4156 1 396 . 1 1 36 36 GLN HA H 1 3.83 . . 1 . . . . . . . . 4156 1 397 . 1 1 36 36 GLN HB2 H 1 2.22 . . 1 . . . . . . . . 4156 1 398 . 1 1 36 36 GLN HB3 H 1 1.81 . . 1 . . . . . . . . 4156 1 399 . 1 1 36 36 GLN HG2 H 1 2.70 . . 1 . . . . . . . . 4156 1 400 . 1 1 36 36 GLN HG3 H 1 2.70 . . 1 . . . . . . . . 4156 1 401 . 1 1 36 36 GLN HE21 H 1 7.92 . . 2 . . . . . . . . 4156 1 402 . 1 1 36 36 GLN HE22 H 1 6.97 . . 2 . . . . . . . . 4156 1 403 . 1 1 36 36 GLN C C 13 178.0 . . 1 . . . . . . . . 4156 1 404 . 1 1 36 36 GLN CA C 13 58.8 . . 1 . . . . . . . . 4156 1 405 . 1 1 36 36 GLN CB C 13 28.7 . . 1 . . . . . . . . 4156 1 406 . 1 1 36 36 GLN CG C 13 33.8 . . 1 . . . . . . . . 4156 1 407 . 1 1 36 36 GLN N N 15 120.8 . . 1 . . . . . . . . 4156 1 408 . 1 1 36 36 GLN NE2 N 15 117.4 . . 1 . . . . . . . . 4156 1 409 . 1 1 37 37 PHE H H 1 7.78 . . 1 . . . . . . . . 4156 1 410 . 1 1 37 37 PHE HA H 1 3.87 . . 1 . . . . . . . . 4156 1 411 . 1 1 37 37 PHE HB2 H 1 2.80 . . 1 . . . . . . . . 4156 1 412 . 1 1 37 37 PHE HB3 H 1 3.28 . . 1 . . . . . . . . 4156 1 413 . 1 1 37 37 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 4156 1 414 . 1 1 37 37 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 4156 1 415 . 1 1 37 37 PHE HE1 H 1 7.21 . . 1 . . . . . . . . 4156 1 416 . 1 1 37 37 PHE HE2 H 1 7.21 . . 1 . . . . . . . . 4156 1 417 . 1 1 37 37 PHE HZ H 1 7.72 . . 1 . . . . . . . . 4156 1 418 . 1 1 37 37 PHE C C 13 176.2 . . 1 . . . . . . . . 4156 1 419 . 1 1 37 37 PHE CA C 13 61.8 . . 1 . . . . . . . . 4156 1 420 . 1 1 37 37 PHE CB C 13 39.3 . . 1 . . . . . . . . 4156 1 421 . 1 1 37 37 PHE CD1 C 13 132.0 . . 1 . . . . . . . . 4156 1 422 . 1 1 37 37 PHE CD2 C 13 132.0 . . 1 . . . . . . . . 4156 1 423 . 1 1 37 37 PHE CE1 C 13 131.3 . . 1 . . . . . . . . 4156 1 424 . 1 1 37 37 PHE CE2 C 13 131.3 . . 1 . . . . . . . . 4156 1 425 . 1 1 37 37 PHE CZ C 13 131.6 . . 1 . . . . . . . . 4156 1 426 . 1 1 37 37 PHE N N 15 122.0 . . 1 . . . . . . . . 4156 1 427 . 1 1 38 38 LEU H H 1 8.58 . . 1 . . . . . . . . 4156 1 428 . 1 1 38 38 LEU HA H 1 3.66 . . 1 . . . . . . . . 4156 1 429 . 1 1 38 38 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4156 1 430 . 1 1 38 38 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 4156 1 431 . 1 1 38 38 LEU HG H 1 1.92 . . 1 . . . . . . . . 4156 1 432 . 1 1 38 38 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4156 1 433 . 1 1 38 38 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4156 1 434 . 1 1 38 38 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4156 1 435 . 1 1 38 38 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4156 1 436 . 1 1 38 38 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4156 1 437 . 1 1 38 38 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4156 1 438 . 1 1 38 38 LEU C C 13 180.0 . . 1 . . . . . . . . 4156 1 439 . 1 1 38 38 LEU CA C 13 57.9 . . 1 . . . . . . . . 4156 1 440 . 1 1 38 38 LEU CB C 13 41.2 . . 1 . . . . . . . . 4156 1 441 . 1 1 38 38 LEU CG C 13 26.9 . . 1 . . . . . . . . 4156 1 442 . 1 1 38 38 LEU CD1 C 13 22.7 . . 1 . . . . . . . . 4156 1 443 . 1 1 38 38 LEU CD2 C 13 25.4 . . 1 . . . . . . . . 4156 1 444 . 1 1 38 38 LEU N N 15 121.2 . . 1 . . . . . . . . 4156 1 445 . 1 1 39 39 GLN H H 1 7.80 . . 1 . . . . . . . . 4156 1 446 . 1 1 39 39 GLN HA H 1 3.98 . . 1 . . . . . . . . 4156 1 447 . 1 1 39 39 GLN HB2 H 1 2.13 . . 1 . . . . . . . . 4156 1 448 . 1 1 39 39 GLN HB3 H 1 1.97 . . 1 . . . . . . . . 4156 1 449 . 1 1 39 39 GLN HG2 H 1 2.60 . . 2 . . . . . . . . 4156 1 450 . 1 1 39 39 GLN HG3 H 1 2.32 . . 2 . . . . . . . . 4156 1 451 . 1 1 39 39 GLN HE21 H 1 7.12 . . 2 . . . . . . . . 4156 1 452 . 1 1 39 39 GLN HE22 H 1 6.78 . . 2 . . . . . . . . 4156 1 453 . 1 1 39 39 GLN C C 13 179.7 . . 1 . . . . . . . . 4156 1 454 . 1 1 39 39 GLN CA C 13 59.1 . . 1 . . . . . . . . 4156 1 455 . 1 1 39 39 GLN CB C 13 28.7 . . 1 . . . . . . . . 4156 1 456 . 1 1 39 39 GLN CG C 13 34.5 . . 1 . . . . . . . . 4156 1 457 . 1 1 39 39 GLN N N 15 119.6 . . 1 . . . . . . . . 4156 1 458 . 1 1 39 39 GLN NE2 N 15 112.1 . . 1 . . . . . . . . 4156 1 459 . 1 1 40 40 ALA H H 1 7.78 . . 1 . . . . . . . . 4156 1 460 . 1 1 40 40 ALA HA H 1 3.76 . . 1 . . . . . . . . 4156 1 461 . 1 1 40 40 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 4156 1 462 . 1 1 40 40 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 4156 1 463 . 1 1 40 40 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 4156 1 464 . 1 1 40 40 ALA C C 13 177.4 . . 1 . . . . . . . . 4156 1 465 . 1 1 40 40 ALA CA C 13 55.9 . . 1 . . . . . . . . 4156 1 466 . 1 1 40 40 ALA CB C 13 17.4 . . 1 . . . . . . . . 4156 1 467 . 1 1 40 40 ALA N N 15 126.0 . . 1 . . . . . . . . 4156 1 468 . 1 1 41 41 ALA H H 1 7.39 . . 1 . . . . . . . . 4156 1 469 . 1 1 41 41 ALA HA H 1 1.97 . . 1 . . . . . . . . 4156 1 470 . 1 1 41 41 ALA HB1 H 1 0.51 . . 1 . . . . . . . . 4156 1 471 . 1 1 41 41 ALA HB2 H 1 0.51 . . 1 . . . . . . . . 4156 1 472 . 1 1 41 41 ALA HB3 H 1 0.51 . . 1 . . . . . . . . 4156 1 473 . 1 1 41 41 ALA C C 13 178.8 . . 1 . . . . . . . . 4156 1 474 . 1 1 41 41 ALA CA C 13 53.2 . . 1 . . . . . . . . 4156 1 475 . 1 1 41 41 ALA CB C 13 18.3 . . 1 . . . . . . . . 4156 1 476 . 1 1 41 41 ALA N N 15 118.7 . . 1 . . . . . . . . 4156 1 477 . 1 1 42 42 GLU H H 1 7.01 . . 1 . . . . . . . . 4156 1 478 . 1 1 42 42 GLU HA H 1 3.99 . . 1 . . . . . . . . 4156 1 479 . 1 1 42 42 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4156 1 480 . 1 1 42 42 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 4156 1 481 . 1 1 42 42 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4156 1 482 . 1 1 42 42 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 4156 1 483 . 1 1 42 42 GLU C C 13 176.9 . . 1 . . . . . . . . 4156 1 484 . 1 1 42 42 GLU CA C 13 57.4 . . 1 . . . . . . . . 4156 1 485 . 1 1 42 42 GLU CB C 13 30.0 . . 1 . . . . . . . . 4156 1 486 . 1 1 42 42 GLU CG C 13 36.5 . . 1 . . . . . . . . 4156 1 487 . 1 1 42 42 GLU N N 15 115.3 . . 1 . . . . . . . . 4156 1 488 . 1 1 43 43 ALA H H 1 7.33 . . 1 . . . . . . . . 4156 1 489 . 1 1 43 43 ALA HA H 1 4.33 . . 1 . . . . . . . . 4156 1 490 . 1 1 43 43 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4156 1 491 . 1 1 43 43 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4156 1 492 . 1 1 43 43 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4156 1 493 . 1 1 43 43 ALA C C 13 176.9 . . 1 . . . . . . . . 4156 1 494 . 1 1 43 43 ALA CA C 13 52.9 . . 1 . . . . . . . . 4156 1 495 . 1 1 43 43 ALA CB C 13 20.1 . . 1 . . . . . . . . 4156 1 496 . 1 1 43 43 ALA N N 15 121.9 . . 1 . . . . . . . . 4156 1 497 . 1 1 44 44 ILE H H 1 7.04 . . 1 . . . . . . . . 4156 1 498 . 1 1 44 44 ILE HA H 1 4.41 . . 1 . . . . . . . . 4156 1 499 . 1 1 44 44 ILE HB H 1 1.93 . . 1 . . . . . . . . 4156 1 500 . 1 1 44 44 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 4156 1 501 . 1 1 44 44 ILE HG13 H 1 1.21 . . 2 . . . . . . . . 4156 1 502 . 1 1 44 44 ILE HG21 H 1 1.17 . . 1 . . . . . . . . 4156 1 503 . 1 1 44 44 ILE HG22 H 1 1.17 . . 1 . . . . . . . . 4156 1 504 . 1 1 44 44 ILE HG23 H 1 1.17 . . 1 . . . . . . . . 4156 1 505 . 1 1 44 44 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4156 1 506 . 1 1 44 44 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4156 1 507 . 1 1 44 44 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4156 1 508 . 1 1 44 44 ILE C C 13 174.4 . . 1 . . . . . . . . 4156 1 509 . 1 1 44 44 ILE CA C 13 60.2 . . 1 . . . . . . . . 4156 1 510 . 1 1 44 44 ILE CB C 13 39.9 . . 1 . . . . . . . . 4156 1 511 . 1 1 44 44 ILE CG1 C 13 27.0 . . 1 . . . . . . . . 4156 1 512 . 1 1 44 44 ILE CG2 C 13 18.6 . . 1 . . . . . . . . 4156 1 513 . 1 1 44 44 ILE CD1 C 13 13.5 . . 1 . . . . . . . . 4156 1 514 . 1 1 44 44 ILE N N 15 120.4 . . 1 . . . . . . . . 4156 1 515 . 1 1 45 45 ASP H H 1 8.42 . . 1 . . . . . . . . 4156 1 516 . 1 1 45 45 ASP HA H 1 4.84 . . 1 . . . . . . . . 4156 1 517 . 1 1 45 45 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4156 1 518 . 1 1 45 45 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4156 1 519 . 1 1 45 45 ASP C C 13 177.4 . . 1 . . . . . . . . 4156 1 520 . 1 1 45 45 ASP CA C 13 54.7 . . 1 . . . . . . . . 4156 1 521 . 1 1 45 45 ASP CB C 13 41.9 . . 1 . . . . . . . . 4156 1 522 . 1 1 45 45 ASP N N 15 124.5 . . 1 . . . . . . . . 4156 1 523 . 1 1 46 46 ASP H H 1 8.60 . . 1 . . . . . . . . 4156 1 524 . 1 1 46 46 ASP HA H 1 4.57 . . 1 . . . . . . . . 4156 1 525 . 1 1 46 46 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 4156 1 526 . 1 1 46 46 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4156 1 527 . 1 1 46 46 ASP C C 13 175.2 . . 1 . . . . . . . . 4156 1 528 . 1 1 46 46 ASP CA C 13 55.1 . . 1 . . . . . . . . 4156 1 529 . 1 1 46 46 ASP CB C 13 40.4 . . 1 . . . . . . . . 4156 1 530 . 1 1 46 46 ASP N N 15 117.7 . . 1 . . . . . . . . 4156 1 531 . 1 1 47 47 ILE H H 1 7.22 . . 1 . . . . . . . . 4156 1 532 . 1 1 47 47 ILE HA H 1 4.64 . . 1 . . . . . . . . 4156 1 533 . 1 1 47 47 ILE HB H 1 1.71 . . 1 . . . . . . . . 4156 1 534 . 1 1 47 47 ILE HG12 H 1 1.40 . . 2 . . . . . . . . 4156 1 535 . 1 1 47 47 ILE HG13 H 1 1.01 . . 2 . . . . . . . . 4156 1 536 . 1 1 47 47 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 4156 1 537 . 1 1 47 47 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 4156 1 538 . 1 1 47 47 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 4156 1 539 . 1 1 47 47 ILE HD11 H 1 0.64 . . 1 . . . . . . . . 4156 1 540 . 1 1 47 47 ILE HD12 H 1 0.64 . . 1 . . . . . . . . 4156 1 541 . 1 1 47 47 ILE HD13 H 1 0.64 . . 1 . . . . . . . . 4156 1 542 . 1 1 47 47 ILE CA C 13 57.9 . . 1 . . . . . . . . 4156 1 543 . 1 1 47 47 ILE CB C 13 41.7 . . 1 . . . . . . . . 4156 1 544 . 1 1 47 47 ILE CG1 C 13 26.7 . . 1 . . . . . . . . 4156 1 545 . 1 1 47 47 ILE CG2 C 13 16.6 . . 1 . . . . . . . . 4156 1 546 . 1 1 47 47 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4156 1 547 . 1 1 47 47 ILE N N 15 120.6 . . 1 . . . . . . . . 4156 1 548 . 1 1 48 48 PRO HA H 1 4.69 . . 1 . . . . . . . . 4156 1 549 . 1 1 48 48 PRO HB2 H 1 2.30 . . 2 . . . . . . . . 4156 1 550 . 1 1 48 48 PRO HB3 H 1 1.88 . . 2 . . . . . . . . 4156 1 551 . 1 1 48 48 PRO HG2 H 1 2.29 . . 2 . . . . . . . . 4156 1 552 . 1 1 48 48 PRO HG3 H 1 2.09 . . 2 . . . . . . . . 4156 1 553 . 1 1 48 48 PRO HD2 H 1 4.43 . . 2 . . . . . . . . 4156 1 554 . 1 1 48 48 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4156 1 555 . 1 1 48 48 PRO CA C 13 63.3 . . 1 . . . . . . . . 4156 1 556 . 1 1 48 48 PRO CB C 13 32.7 . . 1 . . . . . . . . 4156 1 557 . 1 1 48 48 PRO CG C 13 27.5 . . 1 . . . . . . . . 4156 1 558 . 1 1 48 48 PRO CD C 13 51.0 . . 1 . . . . . . . . 4156 1 559 . 1 1 49 49 PHE H H 1 8.66 . . 1 . . . . . . . . 4156 1 560 . 1 1 49 49 PHE HA H 1 5.93 . . 1 . . . . . . . . 4156 1 561 . 1 1 49 49 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 4156 1 562 . 1 1 49 49 PHE HB3 H 1 2.61 . . 2 . . . . . . . . 4156 1 563 . 1 1 49 49 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 4156 1 564 . 1 1 49 49 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 4156 1 565 . 1 1 49 49 PHE HE1 H 1 6.93 . . 1 . . . . . . . . 4156 1 566 . 1 1 49 49 PHE HE2 H 1 6.93 . . 1 . . . . . . . . 4156 1 567 . 1 1 49 49 PHE HZ H 1 6.81 . . 1 . . . . . . . . 4156 1 568 . 1 1 49 49 PHE C C 13 176.8 . . 1 . . . . . . . . 4156 1 569 . 1 1 49 49 PHE CA C 13 55.8 . . 1 . . . . . . . . 4156 1 570 . 1 1 49 49 PHE CB C 13 42.9 . . 1 . . . . . . . . 4156 1 571 . 1 1 49 49 PHE CD1 C 13 132.9 . . 1 . . . . . . . . 4156 1 572 . 1 1 49 49 PHE CD2 C 13 132.9 . . 1 . . . . . . . . 4156 1 573 . 1 1 49 49 PHE CE1 C 13 130.2 . . 1 . . . . . . . . 4156 1 574 . 1 1 49 49 PHE CE2 C 13 130.2 . . 1 . . . . . . . . 4156 1 575 . 1 1 49 49 PHE CZ C 13 128.4 . . 1 . . . . . . . . 4156 1 576 . 1 1 49 49 PHE N N 15 122.0 . . 1 . . . . . . . . 4156 1 577 . 1 1 50 50 GLY H H 1 9.63 . . 1 . . . . . . . . 4156 1 578 . 1 1 50 50 GLY HA2 H 1 5.72 . . 2 . . . . . . . . 4156 1 579 . 1 1 50 50 GLY HA3 H 1 3.37 . . 2 . . . . . . . . 4156 1 580 . 1 1 50 50 GLY C C 13 171.0 . . 1 . . . . . . . . 4156 1 581 . 1 1 50 50 GLY CA C 13 43.6 . . 1 . . . . . . . . 4156 1 582 . 1 1 50 50 GLY N N 15 110.7 . . 1 . . . . . . . . 4156 1 583 . 1 1 51 51 ILE H H 1 8.93 . . 1 . . . . . . . . 4156 1 584 . 1 1 51 51 ILE HA H 1 5.62 . . 1 . . . . . . . . 4156 1 585 . 1 1 51 51 ILE HB H 1 1.76 . . 1 . . . . . . . . 4156 1 586 . 1 1 51 51 ILE HG12 H 1 1.76 . . 2 . . . . . . . . 4156 1 587 . 1 1 51 51 ILE HG13 H 1 1.17 . . 2 . . . . . . . . 4156 1 588 . 1 1 51 51 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4156 1 589 . 1 1 51 51 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4156 1 590 . 1 1 51 51 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4156 1 591 . 1 1 51 51 ILE HD11 H 1 1.06 . . 1 . . . . . . . . 4156 1 592 . 1 1 51 51 ILE HD12 H 1 1.06 . . 1 . . . . . . . . 4156 1 593 . 1 1 51 51 ILE HD13 H 1 1.06 . . 1 . . . . . . . . 4156 1 594 . 1 1 51 51 ILE C C 13 172.0 . . 1 . . . . . . . . 4156 1 595 . 1 1 51 51 ILE CA C 13 58.6 . . 1 . . . . . . . . 4156 1 596 . 1 1 51 51 ILE CB C 13 43.3 . . 1 . . . . . . . . 4156 1 597 . 1 1 51 51 ILE CG1 C 13 28.9 . . 1 . . . . . . . . 4156 1 598 . 1 1 51 51 ILE CG2 C 13 15.0 . . 1 . . . . . . . . 4156 1 599 . 1 1 51 51 ILE CD1 C 13 14.9 . . 1 . . . . . . . . 4156 1 600 . 1 1 51 51 ILE N N 15 122.5 . . 1 . . . . . . . . 4156 1 601 . 1 1 52 52 THR H H 1 8.74 . . 1 . . . . . . . . 4156 1 602 . 1 1 52 52 THR HA H 1 5.02 . . 1 . . . . . . . . 4156 1 603 . 1 1 52 52 THR HB H 1 3.93 . . 1 . . . . . . . . 4156 1 604 . 1 1 52 52 THR HG21 H 1 0.72 . . 1 . . . . . . . . 4156 1 605 . 1 1 52 52 THR HG22 H 1 0.72 . . 1 . . . . . . . . 4156 1 606 . 1 1 52 52 THR HG23 H 1 0.72 . . 1 . . . . . . . . 4156 1 607 . 1 1 52 52 THR C C 13 170.0 . . 1 . . . . . . . . 4156 1 608 . 1 1 52 52 THR CA C 13 60.5 . . 1 . . . . . . . . 4156 1 609 . 1 1 52 52 THR CB C 13 72.9 . . 1 . . . . . . . . 4156 1 610 . 1 1 52 52 THR CG2 C 13 19.5 . . 1 . . . . . . . . 4156 1 611 . 1 1 52 52 THR N N 15 123.2 . . 1 . . . . . . . . 4156 1 612 . 1 1 53 53 SER H H 1 8.77 . . 1 . . . . . . . . 4156 1 613 . 1 1 53 53 SER HA H 1 5.25 . . 1 . . . . . . . . 4156 1 614 . 1 1 53 53 SER HB2 H 1 4.23 . . 2 . . . . . . . . 4156 1 615 . 1 1 53 53 SER HB3 H 1 4.06 . . 2 . . . . . . . . 4156 1 616 . 1 1 53 53 SER C C 13 173.9 . . 1 . . . . . . . . 4156 1 617 . 1 1 53 53 SER CA C 13 57.0 . . 1 . . . . . . . . 4156 1 618 . 1 1 53 53 SER CB C 13 66.1 . . 1 . . . . . . . . 4156 1 619 . 1 1 53 53 SER N N 15 121.6 . . 1 . . . . . . . . 4156 1 620 . 1 1 54 54 ASN H H 1 8.06 . . 1 . . . . . . . . 4156 1 621 . 1 1 54 54 ASN HA H 1 4.85 . . 1 . . . . . . . . 4156 1 622 . 1 1 54 54 ASN HB2 H 1 2.91 . . 1 . . . . . . . . 4156 1 623 . 1 1 54 54 ASN HB3 H 1 2.91 . . 1 . . . . . . . . 4156 1 624 . 1 1 54 54 ASN HD21 H 1 8.06 . . 2 . . . . . . . . 4156 1 625 . 1 1 54 54 ASN HD22 H 1 7.72 . . 2 . . . . . . . . 4156 1 626 . 1 1 54 54 ASN C C 13 177.5 . . 1 . . . . . . . . 4156 1 627 . 1 1 54 54 ASN CA C 13 53.4 . . 1 . . . . . . . . 4156 1 628 . 1 1 54 54 ASN CB C 13 39.5 . . 1 . . . . . . . . 4156 1 629 . 1 1 54 54 ASN N N 15 124.0 . . 1 . . . . . . . . 4156 1 630 . 1 1 54 54 ASN ND2 N 15 114.6 . . 1 . . . . . . . . 4156 1 631 . 1 1 55 55 SER H H 1 9.49 . . 1 . . . . . . . . 4156 1 632 . 1 1 55 55 SER C C 13 176.1 . . 1 . . . . . . . . 4156 1 633 . 1 1 55 55 SER N N 15 127.5 . . 1 . . . . . . . . 4156 1 634 . 1 1 56 56 ASP H H 1 8.71 . . 1 . . . . . . . . 4156 1 635 . 1 1 56 56 ASP HA H 1 4.60 . . 1 . . . . . . . . 4156 1 636 . 1 1 56 56 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 4156 1 637 . 1 1 56 56 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4156 1 638 . 1 1 56 56 ASP C C 13 179.0 . . 1 . . . . . . . . 4156 1 639 . 1 1 56 56 ASP CA C 13 57.5 . . 1 . . . . . . . . 4156 1 640 . 1 1 56 56 ASP CB C 13 40.1 . . 1 . . . . . . . . 4156 1 641 . 1 1 56 56 ASP N N 15 123.9 . . 1 . . . . . . . . 4156 1 642 . 1 1 57 57 VAL H H 1 8.09 . . 1 . . . . . . . . 4156 1 643 . 1 1 57 57 VAL HA H 1 3.78 . . 1 . . . . . . . . 4156 1 644 . 1 1 57 57 VAL HB H 1 2.67 . . 1 . . . . . . . . 4156 1 645 . 1 1 57 57 VAL HG11 H 1 1.22 . . 1 . . . . . . . . 4156 1 646 . 1 1 57 57 VAL HG12 H 1 1.22 . . 1 . . . . . . . . 4156 1 647 . 1 1 57 57 VAL HG13 H 1 1.22 . . 1 . . . . . . . . 4156 1 648 . 1 1 57 57 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4156 1 649 . 1 1 57 57 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4156 1 650 . 1 1 57 57 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4156 1 651 . 1 1 57 57 VAL C C 13 177.9 . . 1 . . . . . . . . 4156 1 652 . 1 1 57 57 VAL CA C 13 66.1 . . 1 . . . . . . . . 4156 1 653 . 1 1 57 57 VAL CB C 13 30.8 . . 1 . . . . . . . . 4156 1 654 . 1 1 57 57 VAL CG1 C 13 23.7 . . 1 . . . . . . . . 4156 1 655 . 1 1 57 57 VAL CG2 C 13 22.8 . . 1 . . . . . . . . 4156 1 656 . 1 1 57 57 VAL N N 15 124.0 . . 1 . . . . . . . . 4156 1 657 . 1 1 58 58 PHE H H 1 8.01 . . 1 . . . . . . . . 4156 1 658 . 1 1 58 58 PHE HA H 1 4.24 . . 1 . . . . . . . . 4156 1 659 . 1 1 58 58 PHE HB2 H 1 3.58 . . 2 . . . . . . . . 4156 1 660 . 1 1 58 58 PHE HB3 H 1 3.17 . . 2 . . . . . . . . 4156 1 661 . 1 1 58 58 PHE HD1 H 1 7.15 . . 1 . . . . . . . . 4156 1 662 . 1 1 58 58 PHE HD2 H 1 7.15 . . 1 . . . . . . . . 4156 1 663 . 1 1 58 58 PHE HE1 H 1 7.00 . . 1 . . . . . . . . 4156 1 664 . 1 1 58 58 PHE HE2 H 1 7.00 . . 1 . . . . . . . . 4156 1 665 . 1 1 58 58 PHE HZ H 1 6.28 . . 1 . . . . . . . . 4156 1 666 . 1 1 58 58 PHE C C 13 178.8 . . 1 . . . . . . . . 4156 1 667 . 1 1 58 58 PHE CA C 13 62.2 . . 1 . . . . . . . . 4156 1 668 . 1 1 58 58 PHE CB C 13 37.8 . . 1 . . . . . . . . 4156 1 669 . 1 1 58 58 PHE CD1 C 13 132.3 . . 1 . . . . . . . . 4156 1 670 . 1 1 58 58 PHE CD2 C 13 132.3 . . 1 . . . . . . . . 4156 1 671 . 1 1 58 58 PHE CE1 C 13 130.9 . . 1 . . . . . . . . 4156 1 672 . 1 1 58 58 PHE CE2 C 13 130.9 . . 1 . . . . . . . . 4156 1 673 . 1 1 58 58 PHE CZ C 13 129.0 . . 1 . . . . . . . . 4156 1 674 . 1 1 58 58 PHE N N 15 121.9 . . 1 . . . . . . . . 4156 1 675 . 1 1 59 59 SER H H 1 8.12 . . 1 . . . . . . . . 4156 1 676 . 1 1 59 59 SER HA H 1 4.26 . . 1 . . . . . . . . 4156 1 677 . 1 1 59 59 SER HB2 H 1 4.03 . . 1 . . . . . . . . 4156 1 678 . 1 1 59 59 SER HB3 H 1 4.03 . . 1 . . . . . . . . 4156 1 679 . 1 1 59 59 SER C C 13 177.8 . . 1 . . . . . . . . 4156 1 680 . 1 1 59 59 SER CA C 13 62.0 . . 1 . . . . . . . . 4156 1 681 . 1 1 59 59 SER CB C 13 63.0 . . 1 . . . . . . . . 4156 1 682 . 1 1 59 59 SER N N 15 113.8 . . 1 . . . . . . . . 4156 1 683 . 1 1 60 60 LYS H H 1 7.70 . . 1 . . . . . . . . 4156 1 684 . 1 1 60 60 LYS HA H 1 3.89 . . 1 . . . . . . . . 4156 1 685 . 1 1 60 60 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4156 1 686 . 1 1 60 60 LYS HB3 H 1 1.89 . . 2 . . . . . . . . 4156 1 687 . 1 1 60 60 LYS HG2 H 1 1.18 . . 2 . . . . . . . . 4156 1 688 . 1 1 60 60 LYS HG3 H 1 0.27 . . 2 . . . . . . . . 4156 1 689 . 1 1 60 60 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4156 1 690 . 1 1 60 60 LYS HD3 H 1 1.42 . . 2 . . . . . . . . 4156 1 691 . 1 1 60 60 LYS HE2 H 1 3.08 . . 2 . . . . . . . . 4156 1 692 . 1 1 60 60 LYS HE3 H 1 2.79 . . 2 . . . . . . . . 4156 1 693 . 1 1 60 60 LYS C C 13 176.7 . . 1 . . . . . . . . 4156 1 694 . 1 1 60 60 LYS CA C 13 59.2 . . 1 . . . . . . . . 4156 1 695 . 1 1 60 60 LYS CB C 13 33.0 . . 1 . . . . . . . . 4156 1 696 . 1 1 60 60 LYS CG C 13 24.0 . . 1 . . . . . . . . 4156 1 697 . 1 1 60 60 LYS CD C 13 30.3 . . 1 . . . . . . . . 4156 1 698 . 1 1 60 60 LYS CE C 13 42.2 . . 1 . . . . . . . . 4156 1 699 . 1 1 60 60 LYS N N 15 125.8 . . 1 . . . . . . . . 4156 1 700 . 1 1 61 61 TYR H H 1 7.09 . . 1 . . . . . . . . 4156 1 701 . 1 1 61 61 TYR HA H 1 4.67 . . 1 . . . . . . . . 4156 1 702 . 1 1 61 61 TYR HB2 H 1 2.39 . . 1 . . . . . . . . 4156 1 703 . 1 1 61 61 TYR HB3 H 1 3.29 . . 1 . . . . . . . . 4156 1 704 . 1 1 61 61 TYR HD1 H 1 7.47 . . 1 . . . . . . . . 4156 1 705 . 1 1 61 61 TYR HD2 H 1 7.47 . . 1 . . . . . . . . 4156 1 706 . 1 1 61 61 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 4156 1 707 . 1 1 61 61 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 4156 1 708 . 1 1 61 61 TYR C C 13 173.4 . . 1 . . . . . . . . 4156 1 709 . 1 1 61 61 TYR CA C 13 58.7 . . 1 . . . . . . . . 4156 1 710 . 1 1 61 61 TYR CB C 13 37.9 . . 1 . . . . . . . . 4156 1 711 . 1 1 61 61 TYR CD1 C 13 133.3 . . 1 . . . . . . . . 4156 1 712 . 1 1 61 61 TYR CD2 C 13 133.3 . . 1 . . . . . . . . 4156 1 713 . 1 1 61 61 TYR CE1 C 13 117.2 . . 1 . . . . . . . . 4156 1 714 . 1 1 61 61 TYR CE2 C 13 117.2 . . 1 . . . . . . . . 4156 1 715 . 1 1 61 61 TYR N N 15 115.6 . . 1 . . . . . . . . 4156 1 716 . 1 1 62 62 GLN H H 1 7.89 . . 1 . . . . . . . . 4156 1 717 . 1 1 62 62 GLN HA H 1 3.85 . . 1 . . . . . . . . 4156 1 718 . 1 1 62 62 GLN HB2 H 1 2.41 . . 2 . . . . . . . . 4156 1 719 . 1 1 62 62 GLN HB3 H 1 2.22 . . 2 . . . . . . . . 4156 1 720 . 1 1 62 62 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4156 1 721 . 1 1 62 62 GLN HG3 H 1 2.22 . . 2 . . . . . . . . 4156 1 722 . 1 1 62 62 GLN HE21 H 1 7.52 . . 2 . . . . . . . . 4156 1 723 . 1 1 62 62 GLN HE22 H 1 6.68 . . 2 . . . . . . . . 4156 1 724 . 1 1 62 62 GLN C C 13 174.7 . . 1 . . . . . . . . 4156 1 725 . 1 1 62 62 GLN CA C 13 57.5 . . 1 . . . . . . . . 4156 1 726 . 1 1 62 62 GLN CB C 13 25.3 . . 1 . . . . . . . . 4156 1 727 . 1 1 62 62 GLN CG C 13 34.8 . . 1 . . . . . . . . 4156 1 728 . 1 1 62 62 GLN N N 15 115.3 . . 1 . . . . . . . . 4156 1 729 . 1 1 62 62 GLN NE2 N 15 114.3 . . 1 . . . . . . . . 4156 1 730 . 1 1 63 63 LEU H H 1 8.12 . . 1 . . . . . . . . 4156 1 731 . 1 1 63 63 LEU HA H 1 4.57 . . 1 . . . . . . . . 4156 1 732 . 1 1 63 63 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 4156 1 733 . 1 1 63 63 LEU HB3 H 1 1.06 . . 1 . . . . . . . . 4156 1 734 . 1 1 63 63 LEU HG H 1 1.01 . . 1 . . . . . . . . 4156 1 735 . 1 1 63 63 LEU HD11 H 1 0.13 . . 1 . . . . . . . . 4156 1 736 . 1 1 63 63 LEU HD12 H 1 0.13 . . 1 . . . . . . . . 4156 1 737 . 1 1 63 63 LEU HD13 H 1 0.13 . . 1 . . . . . . . . 4156 1 738 . 1 1 63 63 LEU HD21 H 1 -0.15 . . 1 . . . . . . . . 4156 1 739 . 1 1 63 63 LEU HD22 H 1 -0.15 . . 1 . . . . . . . . 4156 1 740 . 1 1 63 63 LEU HD23 H 1 -0.15 . . 1 . . . . . . . . 4156 1 741 . 1 1 63 63 LEU CA C 13 55.2 . . 1 . . . . . . . . 4156 1 742 . 1 1 63 63 LEU CB C 13 43.5 . . 1 . . . . . . . . 4156 1 743 . 1 1 63 63 LEU CG C 13 28.5 . . 1 . . . . . . . . 4156 1 744 . 1 1 63 63 LEU CD1 C 13 23.8 . . 1 . . . . . . . . 4156 1 745 . 1 1 63 63 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 4156 1 746 . 1 1 63 63 LEU N N 15 122.6 . . 1 . . . . . . . . 4156 1 747 . 1 1 64 64 ASP H H 1 8.66 . . 1 . . . . . . . . 4156 1 748 . 1 1 64 64 ASP HA H 1 4.67 . . 1 . . . . . . . . 4156 1 749 . 1 1 64 64 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 4156 1 750 . 1 1 64 64 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 4156 1 751 . 1 1 64 64 ASP C C 13 174.7 . . 1 . . . . . . . . 4156 1 752 . 1 1 64 64 ASP CA C 13 53.4 . . 1 . . . . . . . . 4156 1 753 . 1 1 64 64 ASP CB C 13 41.7 . . 1 . . . . . . . . 4156 1 754 . 1 1 64 64 ASP N N 15 122.2 . . 1 . . . . . . . . 4156 1 755 . 1 1 65 65 LYS H H 1 7.76 . . 1 . . . . . . . . 4156 1 756 . 1 1 65 65 LYS HA H 1 4.60 . . 1 . . . . . . . . 4156 1 757 . 1 1 65 65 LYS HB2 H 1 2.06 . . 2 . . . . . . . . 4156 1 758 . 1 1 65 65 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 4156 1 759 . 1 1 65 65 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 4156 1 760 . 1 1 65 65 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4156 1 761 . 1 1 65 65 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 4156 1 762 . 1 1 65 65 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 4156 1 763 . 1 1 65 65 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 4156 1 764 . 1 1 65 65 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 4156 1 765 . 1 1 65 65 LYS C C 13 173.2 . . 1 . . . . . . . . 4156 1 766 . 1 1 65 65 LYS CA C 13 54.7 . . 1 . . . . . . . . 4156 1 767 . 1 1 65 65 LYS CB C 13 34.5 . . 1 . . . . . . . . 4156 1 768 . 1 1 65 65 LYS CG C 13 22.6 . . 1 . . . . . . . . 4156 1 769 . 1 1 65 65 LYS CD C 13 29.2 . . 1 . . . . . . . . 4156 1 770 . 1 1 65 65 LYS CE C 13 42.2 . . 1 . . . . . . . . 4156 1 771 . 1 1 65 65 LYS N N 15 119.0 . . 1 . . . . . . . . 4156 1 772 . 1 1 66 66 ASP H H 1 7.86 . . 1 . . . . . . . . 4156 1 773 . 1 1 66 66 ASP HA H 1 4.71 . . 1 . . . . . . . . 4156 1 774 . 1 1 66 66 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4156 1 775 . 1 1 66 66 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4156 1 776 . 1 1 66 66 ASP C C 13 177.7 . . 1 . . . . . . . . 4156 1 777 . 1 1 66 66 ASP CA C 13 54.8 . . 1 . . . . . . . . 4156 1 778 . 1 1 66 66 ASP CB C 13 41.7 . . 1 . . . . . . . . 4156 1 779 . 1 1 66 66 ASP N N 15 118.8 . . 1 . . . . . . . . 4156 1 780 . 1 1 67 67 GLY H H 1 8.68 . . 1 . . . . . . . . 4156 1 781 . 1 1 67 67 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 4156 1 782 . 1 1 67 67 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 4156 1 783 . 1 1 67 67 GLY C C 13 169.7 . . 1 . . . . . . . . 4156 1 784 . 1 1 67 67 GLY CA C 13 45.8 . . 1 . . . . . . . . 4156 1 785 . 1 1 67 67 GLY N N 15 109.1 . . 1 . . . . . . . . 4156 1 786 . 1 1 68 68 VAL H H 1 8.63 . . 1 . . . . . . . . 4156 1 787 . 1 1 68 68 VAL HA H 1 4.88 . . 1 . . . . . . . . 4156 1 788 . 1 1 68 68 VAL HB H 1 1.71 . . 1 . . . . . . . . 4156 1 789 . 1 1 68 68 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 4156 1 790 . 1 1 68 68 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 4156 1 791 . 1 1 68 68 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 4156 1 792 . 1 1 68 68 VAL HG21 H 1 0.99 . . 1 . . . . . . . . 4156 1 793 . 1 1 68 68 VAL HG22 H 1 0.99 . . 1 . . . . . . . . 4156 1 794 . 1 1 68 68 VAL HG23 H 1 0.99 . . 1 . . . . . . . . 4156 1 795 . 1 1 68 68 VAL C C 13 173.7 . . 1 . . . . . . . . 4156 1 796 . 1 1 68 68 VAL CA C 13 61.6 . . 1 . . . . . . . . 4156 1 797 . 1 1 68 68 VAL CB C 13 35.5 . . 1 . . . . . . . . 4156 1 798 . 1 1 68 68 VAL CG1 C 13 22.2 . . 1 . . . . . . . . 4156 1 799 . 1 1 68 68 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4156 1 800 . 1 1 68 68 VAL N N 15 119.9 . . 1 . . . . . . . . 4156 1 801 . 1 1 69 69 VAL H H 1 9.02 . . 1 . . . . . . . . 4156 1 802 . 1 1 69 69 VAL HA H 1 4.60 . . 1 . . . . . . . . 4156 1 803 . 1 1 69 69 VAL HB H 1 1.77 . . 1 . . . . . . . . 4156 1 804 . 1 1 69 69 VAL HG11 H 1 0.74 . . 1 . . . . . . . . 4156 1 805 . 1 1 69 69 VAL HG12 H 1 0.74 . . 1 . . . . . . . . 4156 1 806 . 1 1 69 69 VAL HG13 H 1 0.74 . . 1 . . . . . . . . 4156 1 807 . 1 1 69 69 VAL HG21 H 1 0.00 . . 1 . . . . . . . . 4156 1 808 . 1 1 69 69 VAL HG22 H 1 0.00 . . 1 . . . . . . . . 4156 1 809 . 1 1 69 69 VAL HG23 H 1 0.00 . . 1 . . . . . . . . 4156 1 810 . 1 1 69 69 VAL C C 13 172.8 . . 1 . . . . . . . . 4156 1 811 . 1 1 69 69 VAL CA C 13 61.6 . . 1 . . . . . . . . 4156 1 812 . 1 1 69 69 VAL CB C 13 36.1 . . 1 . . . . . . . . 4156 1 813 . 1 1 69 69 VAL CG1 C 13 22.3 . . 1 . . . . . . . . 4156 1 814 . 1 1 69 69 VAL CG2 C 13 22.7 . . 1 . . . . . . . . 4156 1 815 . 1 1 69 69 VAL N N 15 128.8 . . 1 . . . . . . . . 4156 1 816 . 1 1 70 70 LEU H H 1 8.76 . . 1 . . . . . . . . 4156 1 817 . 1 1 70 70 LEU HA H 1 5.05 . . 1 . . . . . . . . 4156 1 818 . 1 1 70 70 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 4156 1 819 . 1 1 70 70 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 4156 1 820 . 1 1 70 70 LEU HG H 1 1.51 . . 1 . . . . . . . . 4156 1 821 . 1 1 70 70 LEU HD11 H 1 0.58 . . 1 . . . . . . . . 4156 1 822 . 1 1 70 70 LEU HD12 H 1 0.58 . . 1 . . . . . . . . 4156 1 823 . 1 1 70 70 LEU HD13 H 1 0.58 . . 1 . . . . . . . . 4156 1 824 . 1 1 70 70 LEU HD21 H 1 0.51 . . 1 . . . . . . . . 4156 1 825 . 1 1 70 70 LEU HD22 H 1 0.51 . . 1 . . . . . . . . 4156 1 826 . 1 1 70 70 LEU HD23 H 1 0.51 . . 1 . . . . . . . . 4156 1 827 . 1 1 70 70 LEU C C 13 173.6 . . 1 . . . . . . . . 4156 1 828 . 1 1 70 70 LEU CA C 13 54.5 . . 1 . . . . . . . . 4156 1 829 . 1 1 70 70 LEU CB C 13 46.1 . . 1 . . . . . . . . 4156 1 830 . 1 1 70 70 LEU CG C 13 27.6 . . 1 . . . . . . . . 4156 1 831 . 1 1 70 70 LEU CD1 C 13 26.4 . . 1 . . . . . . . . 4156 1 832 . 1 1 70 70 LEU CD2 C 13 28.0 . . 1 . . . . . . . . 4156 1 833 . 1 1 70 70 LEU N N 15 129.8 . . 1 . . . . . . . . 4156 1 834 . 1 1 71 71 PHE H H 1 9.68 . . 1 . . . . . . . . 4156 1 835 . 1 1 71 71 PHE HA H 1 4.97 . . 1 . . . . . . . . 4156 1 836 . 1 1 71 71 PHE HB2 H 1 2.72 . . 1 . . . . . . . . 4156 1 837 . 1 1 71 71 PHE HB3 H 1 3.14 . . 1 . . . . . . . . 4156 1 838 . 1 1 71 71 PHE HD1 H 1 7.17 . . 9 . . . . . . . . 4156 1 839 . 1 1 71 71 PHE HD2 H 1 7.17 . . 9 . . . . . . . . 4156 1 840 . 1 1 71 71 PHE HE1 H 1 7.01 . . 9 . . . . . . . . 4156 1 841 . 1 1 71 71 PHE HE2 H 1 7.01 . . 9 . . . . . . . . 4156 1 842 . 1 1 71 71 PHE C C 13 173.9 . . 1 . . . . . . . . 4156 1 843 . 1 1 71 71 PHE CA C 13 57.4 . . 1 . . . . . . . . 4156 1 844 . 1 1 71 71 PHE CB C 13 42.3 . . 1 . . . . . . . . 4156 1 845 . 1 1 71 71 PHE N N 15 128.6 . . 1 . . . . . . . . 4156 1 846 . 1 1 72 72 LYS H H 1 8.44 . . 1 . . . . . . . . 4156 1 847 . 1 1 72 72 LYS HA H 1 5.40 . . 1 . . . . . . . . 4156 1 848 . 1 1 72 72 LYS HB2 H 1 0.99 . . 1 . . . . . . . . 4156 1 849 . 1 1 72 72 LYS HB3 H 1 1.44 . . 1 . . . . . . . . 4156 1 850 . 1 1 72 72 LYS HG2 H 1 1.09 . . 2 . . . . . . . . 4156 1 851 . 1 1 72 72 LYS HG3 H 1 0.83 . . 2 . . . . . . . . 4156 1 852 . 1 1 72 72 LYS HD2 H 1 1.41 . . 2 . . . . . . . . 4156 1 853 . 1 1 72 72 LYS HD3 H 1 1.28 . . 2 . . . . . . . . 4156 1 854 . 1 1 72 72 LYS HE2 H 1 2.70 . . 2 . . . . . . . . 4156 1 855 . 1 1 72 72 LYS HE3 H 1 2.62 . . 2 . . . . . . . . 4156 1 856 . 1 1 72 72 LYS C C 13 176.6 . . 1 . . . . . . . . 4156 1 857 . 1 1 72 72 LYS CA C 13 54.0 . . 1 . . . . . . . . 4156 1 858 . 1 1 72 72 LYS CB C 13 35.1 . . 1 . . . . . . . . 4156 1 859 . 1 1 72 72 LYS CG C 13 23.1 . . 1 . . . . . . . . 4156 1 860 . 1 1 72 72 LYS CD C 13 30.0 . . 1 . . . . . . . . 4156 1 861 . 1 1 72 72 LYS CE C 13 42.7 . . 1 . . . . . . . . 4156 1 862 . 1 1 72 72 LYS N N 15 118.2 . . 1 . . . . . . . . 4156 1 863 . 1 1 73 73 LYS H H 1 8.19 . . 1 . . . . . . . . 4156 1 864 . 1 1 73 73 LYS HA H 1 4.34 . . 1 . . . . . . . . 4156 1 865 . 1 1 73 73 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 4156 1 866 . 1 1 73 73 LYS HB3 H 1 2.19 . . 1 . . . . . . . . 4156 1 867 . 1 1 73 73 LYS HG2 H 1 1.70 . . 2 . . . . . . . . 4156 1 868 . 1 1 73 73 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 4156 1 869 . 1 1 73 73 LYS HD2 H 1 1.74 . . 2 . . . . . . . . 4156 1 870 . 1 1 73 73 LYS HD3 H 1 1.66 . . 2 . . . . . . . . 4156 1 871 . 1 1 73 73 LYS HE2 H 1 3.08 . . 2 . . . . . . . . 4156 1 872 . 1 1 73 73 LYS HE3 H 1 3.01 . . 2 . . . . . . . . 4156 1 873 . 1 1 73 73 LYS C C 13 175.4 . . 1 . . . . . . . . 4156 1 874 . 1 1 73 73 LYS CA C 13 56.5 . . 1 . . . . . . . . 4156 1 875 . 1 1 73 73 LYS CB C 13 32.1 . . 1 . . . . . . . . 4156 1 876 . 1 1 73 73 LYS CG C 13 25.8 . . 1 . . . . . . . . 4156 1 877 . 1 1 73 73 LYS CD C 13 29.6 . . 1 . . . . . . . . 4156 1 878 . 1 1 73 73 LYS CE C 13 42.4 . . 1 . . . . . . . . 4156 1 879 . 1 1 73 73 LYS N N 15 123.2 . . 1 . . . . . . . . 4156 1 880 . 1 1 74 74 PHE H H 1 6.93 . . 1 . . . . . . . . 4156 1 881 . 1 1 74 74 PHE HA H 1 4.82 . . 1 . . . . . . . . 4156 1 882 . 1 1 74 74 PHE HB2 H 1 3.15 . . 1 . . . . . . . . 4156 1 883 . 1 1 74 74 PHE HB3 H 1 3.31 . . 1 . . . . . . . . 4156 1 884 . 1 1 74 74 PHE HD1 H 1 7.17 . . 9 . . . . . . . . 4156 1 885 . 1 1 74 74 PHE HD2 H 1 7.17 . . 9 . . . . . . . . 4156 1 886 . 1 1 74 74 PHE C C 13 174.2 . . 1 . . . . . . . . 4156 1 887 . 1 1 74 74 PHE CA C 13 55.6 . . 1 . . . . . . . . 4156 1 888 . 1 1 74 74 PHE CB C 13 40.0 . . 1 . . . . . . . . 4156 1 889 . 1 1 74 74 PHE N N 15 116.0 . . 1 . . . . . . . . 4156 1 890 . 1 1 75 75 ASP H H 1 8.89 . . 1 . . . . . . . . 4156 1 891 . 1 1 75 75 ASP HA H 1 4.37 . . 1 . . . . . . . . 4156 1 892 . 1 1 75 75 ASP HB2 H 1 2.80 . . 1 . . . . . . . . 4156 1 893 . 1 1 75 75 ASP HB3 H 1 2.98 . . 1 . . . . . . . . 4156 1 894 . 1 1 75 75 ASP C C 13 176.5 . . 1 . . . . . . . . 4156 1 895 . 1 1 75 75 ASP CA C 13 56.0 . . 1 . . . . . . . . 4156 1 896 . 1 1 75 75 ASP CB C 13 40.6 . . 1 . . . . . . . . 4156 1 897 . 1 1 75 75 ASP N N 15 119.6 . . 1 . . . . . . . . 4156 1 898 . 1 1 76 76 GLU H H 1 9.66 . . 1 . . . . . . . . 4156 1 899 . 1 1 76 76 GLU HA H 1 4.35 . . 1 . . . . . . . . 4156 1 900 . 1 1 76 76 GLU HB2 H 1 2.26 . . 2 . . . . . . . . 4156 1 901 . 1 1 76 76 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4156 1 902 . 1 1 76 76 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 4156 1 903 . 1 1 76 76 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 4156 1 904 . 1 1 76 76 GLU C C 13 178.4 . . 1 . . . . . . . . 4156 1 905 . 1 1 76 76 GLU CA C 13 58.4 . . 1 . . . . . . . . 4156 1 906 . 1 1 76 76 GLU CB C 13 29.1 . . 1 . . . . . . . . 4156 1 907 . 1 1 76 76 GLU CG C 13 36.4 . . 1 . . . . . . . . 4156 1 908 . 1 1 76 76 GLU N N 15 124.4 . . 1 . . . . . . . . 4156 1 909 . 1 1 77 77 GLY H H 1 7.91 . . 1 . . . . . . . . 4156 1 910 . 1 1 77 77 GLY HA2 H 1 4.29 . . 2 . . . . . . . . 4156 1 911 . 1 1 77 77 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 4156 1 912 . 1 1 77 77 GLY C C 13 174.0 . . 1 . . . . . . . . 4156 1 913 . 1 1 77 77 GLY CA C 13 46.5 . . 1 . . . . . . . . 4156 1 914 . 1 1 77 77 GLY N N 15 110.0 . . 1 . . . . . . . . 4156 1 915 . 1 1 78 78 ARG H H 1 7.41 . . 1 . . . . . . . . 4156 1 916 . 1 1 78 78 ARG HA H 1 5.19 . . 1 . . . . . . . . 4156 1 917 . 1 1 78 78 ARG HB2 H 1 1.66 . . 2 . . . . . . . . 4156 1 918 . 1 1 78 78 ARG HB3 H 1 1.59 . . 2 . . . . . . . . 4156 1 919 . 1 1 78 78 ARG HG2 H 1 1.25 . . 1 . . . . . . . . 4156 1 920 . 1 1 78 78 ARG HG3 H 1 1.25 . . 1 . . . . . . . . 4156 1 921 . 1 1 78 78 ARG HD2 H 1 3.09 . . 1 . . . . . . . . 4156 1 922 . 1 1 78 78 ARG HD3 H 1 3.09 . . 1 . . . . . . . . 4156 1 923 . 1 1 78 78 ARG C C 13 174.4 . . 1 . . . . . . . . 4156 1 924 . 1 1 78 78 ARG CA C 13 55.1 . . 1 . . . . . . . . 4156 1 925 . 1 1 78 78 ARG CB C 13 32.7 . . 1 . . . . . . . . 4156 1 926 . 1 1 78 78 ARG CG C 13 25.9 . . 1 . . . . . . . . 4156 1 927 . 1 1 78 78 ARG CD C 13 44.3 . . 1 . . . . . . . . 4156 1 928 . 1 1 78 78 ARG N N 15 122.1 . . 1 . . . . . . . . 4156 1 929 . 1 1 79 79 ASN H H 1 9.23 . . 1 . . . . . . . . 4156 1 930 . 1 1 79 79 ASN HA H 1 5.05 . . 1 . . . . . . . . 4156 1 931 . 1 1 79 79 ASN HB2 H 1 2.33 . . 1 . . . . . . . . 4156 1 932 . 1 1 79 79 ASN HB3 H 1 2.81 . . 1 . . . . . . . . 4156 1 933 . 1 1 79 79 ASN HD21 H 1 7.30 . . 2 . . . . . . . . 4156 1 934 . 1 1 79 79 ASN HD22 H 1 7.14 . . 2 . . . . . . . . 4156 1 935 . 1 1 79 79 ASN C C 13 173.1 . . 1 . . . . . . . . 4156 1 936 . 1 1 79 79 ASN CA C 13 53.7 . . 1 . . . . . . . . 4156 1 937 . 1 1 79 79 ASN CB C 13 43.3 . . 1 . . . . . . . . 4156 1 938 . 1 1 79 79 ASN N N 15 123.3 . . 1 . . . . . . . . 4156 1 939 . 1 1 79 79 ASN ND2 N 15 110.8 . . 1 . . . . . . . . 4156 1 940 . 1 1 80 80 ASN H H 1 9.19 . . 1 . . . . . . . . 4156 1 941 . 1 1 80 80 ASN HA H 1 5.03 . . 1 . . . . . . . . 4156 1 942 . 1 1 80 80 ASN HB2 H 1 2.71 . . 1 . . . . . . . . 4156 1 943 . 1 1 80 80 ASN HB3 H 1 2.71 . . 1 . . . . . . . . 4156 1 944 . 1 1 80 80 ASN HD21 H 1 7.57 . . 2 . . . . . . . . 4156 1 945 . 1 1 80 80 ASN HD22 H 1 6.74 . . 2 . . . . . . . . 4156 1 946 . 1 1 80 80 ASN C C 13 174.5 . . 1 . . . . . . . . 4156 1 947 . 1 1 80 80 ASN CA C 13 53.0 . . 1 . . . . . . . . 4156 1 948 . 1 1 80 80 ASN CB C 13 39.0 . . 1 . . . . . . . . 4156 1 949 . 1 1 80 80 ASN N N 15 125.2 . . 1 . . . . . . . . 4156 1 950 . 1 1 80 80 ASN ND2 N 15 114.0 . . 1 . . . . . . . . 4156 1 951 . 1 1 81 81 PHE H H 1 8.47 . . 1 . . . . . . . . 4156 1 952 . 1 1 81 81 PHE HA H 1 3.52 . . 1 . . . . . . . . 4156 1 953 . 1 1 81 81 PHE HB2 H 1 2.63 . . 2 . . . . . . . . 4156 1 954 . 1 1 81 81 PHE HB3 H 1 1.75 . . 2 . . . . . . . . 4156 1 955 . 1 1 81 81 PHE HD1 H 1 6.47 . . 1 . . . . . . . . 4156 1 956 . 1 1 81 81 PHE HD2 H 1 6.47 . . 1 . . . . . . . . 4156 1 957 . 1 1 81 81 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 4156 1 958 . 1 1 81 81 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 4156 1 959 . 1 1 81 81 PHE HZ H 1 7.27 . . 1 . . . . . . . . 4156 1 960 . 1 1 81 81 PHE C C 13 174.7 . . 1 . . . . . . . . 4156 1 961 . 1 1 81 81 PHE CA C 13 58.9 . . 1 . . . . . . . . 4156 1 962 . 1 1 81 81 PHE CB C 13 39.4 . . 1 . . . . . . . . 4156 1 963 . 1 1 81 81 PHE CD1 C 13 131.4 . . 1 . . . . . . . . 4156 1 964 . 1 1 81 81 PHE CD2 C 13 131.4 . . 1 . . . . . . . . 4156 1 965 . 1 1 81 81 PHE CE1 C 13 131.4 . . 1 . . . . . . . . 4156 1 966 . 1 1 81 81 PHE CE2 C 13 131.4 . . 1 . . . . . . . . 4156 1 967 . 1 1 81 81 PHE CZ C 13 129.8 . . 1 . . . . . . . . 4156 1 968 . 1 1 81 81 PHE N N 15 126.5 . . 1 . . . . . . . . 4156 1 969 . 1 1 82 82 GLU H H 1 7.51 . . 1 . . . . . . . . 4156 1 970 . 1 1 82 82 GLU HA H 1 4.33 . . 1 . . . . . . . . 4156 1 971 . 1 1 82 82 GLU HB2 H 1 1.60 . . 1 . . . . . . . . 4156 1 972 . 1 1 82 82 GLU HB3 H 1 1.83 . . 1 . . . . . . . . 4156 1 973 . 1 1 82 82 GLU HG2 H 1 2.08 . . 2 . . . . . . . . 4156 1 974 . 1 1 82 82 GLU HG3 H 1 2.02 . . 2 . . . . . . . . 4156 1 975 . 1 1 82 82 GLU C C 13 173.9 . . 1 . . . . . . . . 4156 1 976 . 1 1 82 82 GLU CA C 13 55.2 . . 1 . . . . . . . . 4156 1 977 . 1 1 82 82 GLU CB C 13 31.8 . . 1 . . . . . . . . 4156 1 978 . 1 1 82 82 GLU CG C 13 36.0 . . 1 . . . . . . . . 4156 1 979 . 1 1 82 82 GLU N N 15 130.4 . . 1 . . . . . . . . 4156 1 980 . 1 1 83 83 GLY H H 1 7.12 . . 1 . . . . . . . . 4156 1 981 . 1 1 83 83 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4156 1 982 . 1 1 83 83 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4156 1 983 . 1 1 83 83 GLY CA C 13 43.6 . . 1 . . . . . . . . 4156 1 984 . 1 1 83 83 GLY N N 15 110.2 . . 1 . . . . . . . . 4156 1 985 . 1 1 84 84 GLU H H 1 8.52 . . 1 . . . . . . . . 4156 1 986 . 1 1 84 84 GLU HA H 1 4.34 . . 1 . . . . . . . . 4156 1 987 . 1 1 84 84 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4156 1 988 . 1 1 84 84 GLU HB3 H 1 1.92 . . 1 . . . . . . . . 4156 1 989 . 1 1 84 84 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 4156 1 990 . 1 1 84 84 GLU HG3 H 1 2.20 . . 2 . . . . . . . . 4156 1 991 . 1 1 84 84 GLU C C 13 177.5 . . 1 . . . . . . . . 4156 1 992 . 1 1 84 84 GLU CA C 13 56.5 . . 1 . . . . . . . . 4156 1 993 . 1 1 84 84 GLU CB C 13 30.1 . . 1 . . . . . . . . 4156 1 994 . 1 1 84 84 GLU CG C 13 36.2 . . 1 . . . . . . . . 4156 1 995 . 1 1 84 84 GLU N N 15 122.1 . . 1 . . . . . . . . 4156 1 996 . 1 1 85 85 VAL H H 1 9.21 . . 1 . . . . . . . . 4156 1 997 . 1 1 85 85 VAL HA H 1 3.77 . . 1 . . . . . . . . 4156 1 998 . 1 1 85 85 VAL HB H 1 2.31 . . 1 . . . . . . . . 4156 1 999 . 1 1 85 85 VAL HG11 H 1 1.25 . . 1 . . . . . . . . 4156 1 1000 . 1 1 85 85 VAL HG12 H 1 1.25 . . 1 . . . . . . . . 4156 1 1001 . 1 1 85 85 VAL HG13 H 1 1.25 . . 1 . . . . . . . . 4156 1 1002 . 1 1 85 85 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4156 1 1003 . 1 1 85 85 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4156 1 1004 . 1 1 85 85 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4156 1 1005 . 1 1 85 85 VAL C C 13 173.7 . . 1 . . . . . . . . 4156 1 1006 . 1 1 85 85 VAL CA C 13 64.7 . . 1 . . . . . . . . 4156 1 1007 . 1 1 85 85 VAL CB C 13 30.1 . . 1 . . . . . . . . 4156 1 1008 . 1 1 85 85 VAL CG1 C 13 21.3 . . 1 . . . . . . . . 4156 1 1009 . 1 1 85 85 VAL CG2 C 13 23.1 . . 1 . . . . . . . . 4156 1 1010 . 1 1 85 85 VAL N N 15 128.4 . . 1 . . . . . . . . 4156 1 1011 . 1 1 86 86 THR H H 1 7.26 . . 1 . . . . . . . . 4156 1 1012 . 1 1 86 86 THR HA H 1 4.68 . . 1 . . . . . . . . 4156 1 1013 . 1 1 86 86 THR HB H 1 4.55 . . 1 . . . . . . . . 4156 1 1014 . 1 1 86 86 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4156 1 1015 . 1 1 86 86 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4156 1 1016 . 1 1 86 86 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4156 1 1017 . 1 1 86 86 THR C C 13 174.2 . . 1 . . . . . . . . 4156 1 1018 . 1 1 86 86 THR CA C 13 58.4 . . 1 . . . . . . . . 4156 1 1019 . 1 1 86 86 THR CB C 13 72.9 . . 1 . . . . . . . . 4156 1 1020 . 1 1 86 86 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4156 1 1021 . 1 1 86 86 THR N N 15 119.5 . . 1 . . . . . . . . 4156 1 1022 . 1 1 87 87 LYS H H 1 9.44 . . 1 . . . . . . . . 4156 1 1023 . 1 1 87 87 LYS HA H 1 3.73 . . 1 . . . . . . . . 4156 1 1024 . 1 1 87 87 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 4156 1 1025 . 1 1 87 87 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4156 1 1026 . 1 1 87 87 LYS HG2 H 1 1.19 . . 2 . . . . . . . . 4156 1 1027 . 1 1 87 87 LYS HG3 H 1 1.11 . . 2 . . . . . . . . 4156 1 1028 . 1 1 87 87 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4156 1 1029 . 1 1 87 87 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4156 1 1030 . 1 1 87 87 LYS HE2 H 1 2.89 . . 2 . . . . . . . . 4156 1 1031 . 1 1 87 87 LYS HE3 H 1 2.75 . . 2 . . . . . . . . 4156 1 1032 . 1 1 87 87 LYS C C 13 177.1 . . 1 . . . . . . . . 4156 1 1033 . 1 1 87 87 LYS CA C 13 61.1 . . 1 . . . . . . . . 4156 1 1034 . 1 1 87 87 LYS CB C 13 32.3 . . 1 . . . . . . . . 4156 1 1035 . 1 1 87 87 LYS CG C 13 24.3 . . 1 . . . . . . . . 4156 1 1036 . 1 1 87 87 LYS CD C 13 29.9 . . 1 . . . . . . . . 4156 1 1037 . 1 1 87 87 LYS CE C 13 42.0 . . 1 . . . . . . . . 4156 1 1038 . 1 1 87 87 LYS N N 15 125.9 . . 1 . . . . . . . . 4156 1 1039 . 1 1 88 88 GLU H H 1 9.15 . . 1 . . . . . . . . 4156 1 1040 . 1 1 88 88 GLU HA H 1 3.95 . . 1 . . . . . . . . 4156 1 1041 . 1 1 88 88 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 4156 1 1042 . 1 1 88 88 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 4156 1 1043 . 1 1 88 88 GLU HG2 H 1 2.51 . . 2 . . . . . . . . 4156 1 1044 . 1 1 88 88 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4156 1 1045 . 1 1 88 88 GLU C C 13 179.2 . . 1 . . . . . . . . 4156 1 1046 . 1 1 88 88 GLU CA C 13 61.0 . . 1 . . . . . . . . 4156 1 1047 . 1 1 88 88 GLU CB C 13 28.5 . . 1 . . . . . . . . 4156 1 1048 . 1 1 88 88 GLU CG C 13 37.0 . . 1 . . . . . . . . 4156 1 1049 . 1 1 88 88 GLU N N 15 118.4 . . 1 . . . . . . . . 4156 1 1050 . 1 1 89 89 ASN H H 1 8.11 . . 1 . . . . . . . . 4156 1 1051 . 1 1 89 89 ASN HA H 1 4.70 . . 1 . . . . . . . . 4156 1 1052 . 1 1 89 89 ASN HB2 H 1 3.26 . . 2 . . . . . . . . 4156 1 1053 . 1 1 89 89 ASN HB3 H 1 3.15 . . 2 . . . . . . . . 4156 1 1054 . 1 1 89 89 ASN HD21 H 1 8.34 . . 2 . . . . . . . . 4156 1 1055 . 1 1 89 89 ASN HD22 H 1 7.30 . . 2 . . . . . . . . 4156 1 1056 . 1 1 89 89 ASN C C 13 179.8 . . 1 . . . . . . . . 4156 1 1057 . 1 1 89 89 ASN CA C 13 55.6 . . 1 . . . . . . . . 4156 1 1058 . 1 1 89 89 ASN CB C 13 37.6 . . 1 . . . . . . . . 4156 1 1059 . 1 1 89 89 ASN N N 15 120.0 . . 1 . . . . . . . . 4156 1 1060 . 1 1 89 89 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 4156 1 1061 . 1 1 90 90 LEU H H 1 8.64 . . 1 . . . . . . . . 4156 1 1062 . 1 1 90 90 LEU HA H 1 4.01 . . 1 . . . . . . . . 4156 1 1063 . 1 1 90 90 LEU HB2 H 1 2.02 . . 2 . . . . . . . . 4156 1 1064 . 1 1 90 90 LEU HB3 H 1 1.11 . . 2 . . . . . . . . 4156 1 1065 . 1 1 90 90 LEU HG H 1 1.52 . . 1 . . . . . . . . 4156 1 1066 . 1 1 90 90 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4156 1 1067 . 1 1 90 90 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4156 1 1068 . 1 1 90 90 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4156 1 1069 . 1 1 90 90 LEU HD21 H 1 0.21 . . 1 . . . . . . . . 4156 1 1070 . 1 1 90 90 LEU HD22 H 1 0.21 . . 1 . . . . . . . . 4156 1 1071 . 1 1 90 90 LEU HD23 H 1 0.21 . . 1 . . . . . . . . 4156 1 1072 . 1 1 90 90 LEU CA C 13 58.0 . . 1 . . . . . . . . 4156 1 1073 . 1 1 90 90 LEU CB C 13 42.4 . . 1 . . . . . . . . 4156 1 1074 . 1 1 90 90 LEU CG C 13 26.9 . . 1 . . . . . . . . 4156 1 1075 . 1 1 90 90 LEU CD1 C 13 27.0 . . 1 . . . . . . . . 4156 1 1076 . 1 1 90 90 LEU CD2 C 13 22.7 . . 1 . . . . . . . . 4156 1 1077 . 1 1 90 90 LEU N N 15 123.5 . . 1 . . . . . . . . 4156 1 1078 . 1 1 91 91 LEU H H 1 8.52 . . 1 . . . . . . . . 4156 1 1079 . 1 1 91 91 LEU HA H 1 4.09 . . 1 . . . . . . . . 4156 1 1080 . 1 1 91 91 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 4156 1 1081 . 1 1 91 91 LEU HB3 H 1 1.95 . . 1 . . . . . . . . 4156 1 1082 . 1 1 91 91 LEU HG H 1 1.94 . . 1 . . . . . . . . 4156 1 1083 . 1 1 91 91 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4156 1 1084 . 1 1 91 91 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4156 1 1085 . 1 1 91 91 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4156 1 1086 . 1 1 91 91 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4156 1 1087 . 1 1 91 91 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4156 1 1088 . 1 1 91 91 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4156 1 1089 . 1 1 91 91 LEU C C 13 179.2 . . 1 . . . . . . . . 4156 1 1090 . 1 1 91 91 LEU CA C 13 58.9 . . 1 . . . . . . . . 4156 1 1091 . 1 1 91 91 LEU CB C 13 40.9 . . 1 . . . . . . . . 4156 1 1092 . 1 1 91 91 LEU CG C 13 27.4 . . 1 . . . . . . . . 4156 1 1093 . 1 1 91 91 LEU CD1 C 13 23.3 . . 1 . . . . . . . . 4156 1 1094 . 1 1 91 91 LEU CD2 C 13 25.3 . . 1 . . . . . . . . 4156 1 1095 . 1 1 91 91 LEU N N 15 121.8 . . 1 . . . . . . . . 4156 1 1096 . 1 1 92 92 ASP H H 1 7.79 . . 1 . . . . . . . . 4156 1 1097 . 1 1 92 92 ASP HA H 1 4.48 . . 1 . . . . . . . . 4156 1 1098 . 1 1 92 92 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 4156 1 1099 . 1 1 92 92 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 4156 1 1100 . 1 1 92 92 ASP C C 13 178.1 . . 1 . . . . . . . . 4156 1 1101 . 1 1 92 92 ASP CA C 13 58.0 . . 1 . . . . . . . . 4156 1 1102 . 1 1 92 92 ASP CB C 13 41.4 . . 1 . . . . . . . . 4156 1 1103 . 1 1 92 92 ASP N N 15 120.6 . . 1 . . . . . . . . 4156 1 1104 . 1 1 93 93 PHE H H 1 8.00 . . 1 . . . . . . . . 4156 1 1105 . 1 1 93 93 PHE HA H 1 4.63 . . 1 . . . . . . . . 4156 1 1106 . 1 1 93 93 PHE HB2 H 1 3.77 . . 2 . . . . . . . . 4156 1 1107 . 1 1 93 93 PHE HB3 H 1 3.49 . . 2 . . . . . . . . 4156 1 1108 . 1 1 93 93 PHE HD1 H 1 7.41 . . 1 . . . . . . . . 4156 1 1109 . 1 1 93 93 PHE HD2 H 1 7.41 . . 1 . . . . . . . . 4156 1 1110 . 1 1 93 93 PHE C C 13 177.8 . . 1 . . . . . . . . 4156 1 1111 . 1 1 93 93 PHE CA C 13 60.6 . . 1 . . . . . . . . 4156 1 1112 . 1 1 93 93 PHE CB C 13 40.0 . . 1 . . . . . . . . 4156 1 1113 . 1 1 93 93 PHE CD1 C 13 132.8 . . 1 . . . . . . . . 4156 1 1114 . 1 1 93 93 PHE CD2 C 13 132.8 . . 1 . . . . . . . . 4156 1 1115 . 1 1 93 93 PHE N N 15 123.1 . . 1 . . . . . . . . 4156 1 1116 . 1 1 94 94 ILE H H 1 8.79 . . 1 . . . . . . . . 4156 1 1117 . 1 1 94 94 ILE HA H 1 3.15 . . 1 . . . . . . . . 4156 1 1118 . 1 1 94 94 ILE HB H 1 1.86 . . 1 . . . . . . . . 4156 1 1119 . 1 1 94 94 ILE HG12 H 1 2.14 . . 2 . . . . . . . . 4156 1 1120 . 1 1 94 94 ILE HG13 H 1 0.90 . . 2 . . . . . . . . 4156 1 1121 . 1 1 94 94 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4156 1 1122 . 1 1 94 94 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4156 1 1123 . 1 1 94 94 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4156 1 1124 . 1 1 94 94 ILE HD11 H 1 0.98 . . 1 . . . . . . . . 4156 1 1125 . 1 1 94 94 ILE HD12 H 1 0.98 . . 1 . . . . . . . . 4156 1 1126 . 1 1 94 94 ILE HD13 H 1 0.98 . . 1 . . . . . . . . 4156 1 1127 . 1 1 94 94 ILE C C 13 177.6 . . 1 . . . . . . . . 4156 1 1128 . 1 1 94 94 ILE CA C 13 65.9 . . 1 . . . . . . . . 4156 1 1129 . 1 1 94 94 ILE CB C 13 38.7 . . 1 . . . . . . . . 4156 1 1130 . 1 1 94 94 ILE CG1 C 13 29.8 . . 1 . . . . . . . . 4156 1 1131 . 1 1 94 94 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 4156 1 1132 . 1 1 94 94 ILE CD1 C 13 15.1 . . 1 . . . . . . . . 4156 1 1133 . 1 1 94 94 ILE N N 15 123.3 . . 1 . . . . . . . . 4156 1 1134 . 1 1 95 95 LYS H H 1 8.24 . . 1 . . . . . . . . 4156 1 1135 . 1 1 95 95 LYS HA H 1 4.26 . . 1 . . . . . . . . 4156 1 1136 . 1 1 95 95 LYS HB2 H 1 1.98 . . 2 . . . . . . . . 4156 1 1137 . 1 1 95 95 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 4156 1 1138 . 1 1 95 95 LYS HG2 H 1 1.58 . . 2 . . . . . . . . 4156 1 1139 . 1 1 95 95 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 4156 1 1140 . 1 1 95 95 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 4156 1 1141 . 1 1 95 95 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 4156 1 1142 . 1 1 95 95 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4156 1 1143 . 1 1 95 95 LYS HE3 H 1 2.93 . . 2 . . . . . . . . 4156 1 1144 . 1 1 95 95 LYS C C 13 179.5 . . 1 . . . . . . . . 4156 1 1145 . 1 1 95 95 LYS CA C 13 59.3 . . 1 . . . . . . . . 4156 1 1146 . 1 1 95 95 LYS CB C 13 32.1 . . 1 . . . . . . . . 4156 1 1147 . 1 1 95 95 LYS CG C 13 25.4 . . 1 . . . . . . . . 4156 1 1148 . 1 1 95 95 LYS CD C 13 29.1 . . 1 . . . . . . . . 4156 1 1149 . 1 1 95 95 LYS CE C 13 42.4 . . 1 . . . . . . . . 4156 1 1150 . 1 1 95 95 LYS N N 15 119.7 . . 1 . . . . . . . . 4156 1 1151 . 1 1 96 96 HIS H H 1 7.93 . . 1 . . . . . . . . 4156 1 1152 . 1 1 96 96 HIS HA H 1 4.49 . . 1 . . . . . . . . 4156 1 1153 . 1 1 96 96 HIS HB2 H 1 3.30 . . 1 . . . . . . . . 4156 1 1154 . 1 1 96 96 HIS HB3 H 1 3.30 . . 1 . . . . . . . . 4156 1 1155 . 1 1 96 96 HIS HD2 H 1 7.26 . . 1 . . . . . . . . 4156 1 1156 . 1 1 96 96 HIS HE1 H 1 8.56 . . 1 . . . . . . . . 4156 1 1157 . 1 1 96 96 HIS C C 13 175.6 . . 1 . . . . . . . . 4156 1 1158 . 1 1 96 96 HIS CA C 13 58.3 . . 1 . . . . . . . . 4156 1 1159 . 1 1 96 96 HIS CB C 13 29.1 . . 1 . . . . . . . . 4156 1 1160 . 1 1 96 96 HIS CD2 C 13 120.2 . . 1 . . . . . . . . 4156 1 1161 . 1 1 96 96 HIS CE1 C 13 137.0 . . 1 . . . . . . . . 4156 1 1162 . 1 1 96 96 HIS N N 15 115.4 . . 1 . . . . . . . . 4156 1 1163 . 1 1 97 97 ASN H H 1 7.44 . . 1 . . . . . . . . 4156 1 1164 . 1 1 97 97 ASN HA H 1 4.82 . . 1 . . . . . . . . 4156 1 1165 . 1 1 97 97 ASN HB2 H 1 2.03 . . 1 . . . . . . . . 4156 1 1166 . 1 1 97 97 ASN HB3 H 1 2.57 . . 1 . . . . . . . . 4156 1 1167 . 1 1 97 97 ASN HD21 H 1 7.07 . . 2 . . . . . . . . 4156 1 1168 . 1 1 97 97 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4156 1 1169 . 1 1 97 97 ASN C C 13 174.2 . . 1 . . . . . . . . 4156 1 1170 . 1 1 97 97 ASN CA C 13 54.8 . . 1 . . . . . . . . 4156 1 1171 . 1 1 97 97 ASN CB C 13 41.8 . . 1 . . . . . . . . 4156 1 1172 . 1 1 97 97 ASN N N 15 116.9 . . 1 . . . . . . . . 4156 1 1173 . 1 1 97 97 ASN ND2 N 15 117.9 . . 1 . . . . . . . . 4156 1 1174 . 1 1 98 98 GLN H H 1 7.63 . . 1 . . . . . . . . 4156 1 1175 . 1 1 98 98 GLN HA H 1 4.32 . . 1 . . . . . . . . 4156 1 1176 . 1 1 98 98 GLN HB2 H 1 2.29 . . 2 . . . . . . . . 4156 1 1177 . 1 1 98 98 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 4156 1 1178 . 1 1 98 98 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4156 1 1179 . 1 1 98 98 GLN HG3 H 1 2.23 . . 2 . . . . . . . . 4156 1 1180 . 1 1 98 98 GLN HE21 H 1 7.30 . . 2 . . . . . . . . 4156 1 1181 . 1 1 98 98 GLN HE22 H 1 6.84 . . 2 . . . . . . . . 4156 1 1182 . 1 1 98 98 GLN C C 13 174.1 . . 1 . . . . . . . . 4156 1 1183 . 1 1 98 98 GLN CA C 13 57.1 . . 1 . . . . . . . . 4156 1 1184 . 1 1 98 98 GLN CB C 13 29.6 . . 1 . . . . . . . . 4156 1 1185 . 1 1 98 98 GLN CG C 13 33.9 . . 1 . . . . . . . . 4156 1 1186 . 1 1 98 98 GLN N N 15 117.2 . . 1 . . . . . . . . 4156 1 1187 . 1 1 98 98 GLN NE2 N 15 111.2 . . 1 . . . . . . . . 4156 1 1188 . 1 1 99 99 LEU H H 1 7.59 . . 1 . . . . . . . . 4156 1 1189 . 1 1 99 99 LEU HA H 1 4.67 . . 1 . . . . . . . . 4156 1 1190 . 1 1 99 99 LEU HB2 H 1 1.42 . . 1 . . . . . . . . 4156 1 1191 . 1 1 99 99 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4156 1 1192 . 1 1 99 99 LEU HG H 1 1.61 . . 1 . . . . . . . . 4156 1 1193 . 1 1 99 99 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 4156 1 1194 . 1 1 99 99 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 4156 1 1195 . 1 1 99 99 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 4156 1 1196 . 1 1 99 99 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4156 1 1197 . 1 1 99 99 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4156 1 1198 . 1 1 99 99 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4156 1 1199 . 1 1 99 99 LEU CA C 13 52.5 . . 1 . . . . . . . . 4156 1 1200 . 1 1 99 99 LEU CB C 13 42.4 . . 1 . . . . . . . . 4156 1 1201 . 1 1 99 99 LEU CG C 13 27.0 . . 1 . . . . . . . . 4156 1 1202 . 1 1 99 99 LEU CD1 C 13 25.4 . . 1 . . . . . . . . 4156 1 1203 . 1 1 99 99 LEU CD2 C 13 23.2 . . 1 . . . . . . . . 4156 1 1204 . 1 1 99 99 LEU N N 15 122.2 . . 1 . . . . . . . . 4156 1 1205 . 1 1 100 100 PRO HA H 1 4.39 . . 1 . . . . . . . . 4156 1 1206 . 1 1 100 100 PRO HB2 H 1 1.84 . . 2 . . . . . . . . 4156 1 1207 . 1 1 100 100 PRO HB3 H 1 1.65 . . 2 . . . . . . . . 4156 1 1208 . 1 1 100 100 PRO HG2 H 1 1.72 . . 2 . . . . . . . . 4156 1 1209 . 1 1 100 100 PRO HG3 H 1 1.11 . . 2 . . . . . . . . 4156 1 1210 . 1 1 100 100 PRO HD2 H 1 3.39 . . 1 . . . . . . . . 4156 1 1211 . 1 1 100 100 PRO HD3 H 1 3.39 . . 1 . . . . . . . . 4156 1 1212 . 1 1 100 100 PRO C C 13 176.6 . . 1 . . . . . . . . 4156 1 1213 . 1 1 100 100 PRO CA C 13 62.5 . . 1 . . . . . . . . 4156 1 1214 . 1 1 100 100 PRO CB C 13 31.8 . . 1 . . . . . . . . 4156 1 1215 . 1 1 100 100 PRO CG C 13 26.6 . . 1 . . . . . . . . 4156 1 1216 . 1 1 100 100 PRO CD C 13 50.6 . . 1 . . . . . . . . 4156 1 1217 . 1 1 101 101 LEU H H 1 9.23 . . 1 . . . . . . . . 4156 1 1218 . 1 1 101 101 LEU HA H 1 4.24 . . 1 . . . . . . . . 4156 1 1219 . 1 1 101 101 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 4156 1 1220 . 1 1 101 101 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 4156 1 1221 . 1 1 101 101 LEU HG H 1 1.69 . . 1 . . . . . . . . 4156 1 1222 . 1 1 101 101 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 4156 1 1223 . 1 1 101 101 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 4156 1 1224 . 1 1 101 101 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 4156 1 1225 . 1 1 101 101 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 4156 1 1226 . 1 1 101 101 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 4156 1 1227 . 1 1 101 101 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 4156 1 1228 . 1 1 101 101 LEU C C 13 177.5 . . 1 . . . . . . . . 4156 1 1229 . 1 1 101 101 LEU CA C 13 55.9 . . 1 . . . . . . . . 4156 1 1230 . 1 1 101 101 LEU CB C 13 42.6 . . 1 . . . . . . . . 4156 1 1231 . 1 1 101 101 LEU CG C 13 27.2 . . 1 . . . . . . . . 4156 1 1232 . 1 1 101 101 LEU CD1 C 13 24.8 . . 1 . . . . . . . . 4156 1 1233 . 1 1 101 101 LEU CD2 C 13 24.0 . . 1 . . . . . . . . 4156 1 1234 . 1 1 101 101 LEU N N 15 126.7 . . 1 . . . . . . . . 4156 1 1235 . 1 1 102 102 VAL H H 1 8.27 . . 1 . . . . . . . . 4156 1 1236 . 1 1 102 102 VAL HA H 1 4.10 . . 1 . . . . . . . . 4156 1 1237 . 1 1 102 102 VAL HB H 1 2.01 . . 1 . . . . . . . . 4156 1 1238 . 1 1 102 102 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 4156 1 1239 . 1 1 102 102 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 4156 1 1240 . 1 1 102 102 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 4156 1 1241 . 1 1 102 102 VAL HG21 H 1 0.87 . . 1 . . . . . . . . 4156 1 1242 . 1 1 102 102 VAL HG22 H 1 0.87 . . 1 . . . . . . . . 4156 1 1243 . 1 1 102 102 VAL HG23 H 1 0.87 . . 1 . . . . . . . . 4156 1 1244 . 1 1 102 102 VAL C C 13 175.6 . . 1 . . . . . . . . 4156 1 1245 . 1 1 102 102 VAL CA C 13 62.5 . . 1 . . . . . . . . 4156 1 1246 . 1 1 102 102 VAL CB C 13 32.9 . . 1 . . . . . . . . 4156 1 1247 . 1 1 102 102 VAL CG1 C 13 20.8 . . 1 . . . . . . . . 4156 1 1248 . 1 1 102 102 VAL CG2 C 13 21.1 . . 1 . . . . . . . . 4156 1 1249 . 1 1 102 102 VAL N N 15 124.8 . . 1 . . . . . . . . 4156 1 1250 . 1 1 103 103 ILE H H 1 8.29 . . 1 . . . . . . . . 4156 1 1251 . 1 1 103 103 ILE HA H 1 4.16 . . 1 . . . . . . . . 4156 1 1252 . 1 1 103 103 ILE HB H 1 1.80 . . 1 . . . . . . . . 4156 1 1253 . 1 1 103 103 ILE HG12 H 1 1.42 . . 2 . . . . . . . . 4156 1 1254 . 1 1 103 103 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4156 1 1255 . 1 1 103 103 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4156 1 1256 . 1 1 103 103 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4156 1 1257 . 1 1 103 103 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4156 1 1258 . 1 1 103 103 ILE HD11 H 1 0.85 . . 1 . . . . . . . . 4156 1 1259 . 1 1 103 103 ILE HD12 H 1 0.85 . . 1 . . . . . . . . 4156 1 1260 . 1 1 103 103 ILE HD13 H 1 0.85 . . 1 . . . . . . . . 4156 1 1261 . 1 1 103 103 ILE C C 13 175.7 . . 1 . . . . . . . . 4156 1 1262 . 1 1 103 103 ILE CA C 13 61.0 . . 1 . . . . . . . . 4156 1 1263 . 1 1 103 103 ILE CB C 13 38.7 . . 1 . . . . . . . . 4156 1 1264 . 1 1 103 103 ILE CG1 C 13 27.2 . . 1 . . . . . . . . 4156 1 1265 . 1 1 103 103 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 4156 1 1266 . 1 1 103 103 ILE CD1 C 13 12.6 . . 1 . . . . . . . . 4156 1 1267 . 1 1 103 103 ILE N N 15 128.2 . . 1 . . . . . . . . 4156 1 1268 . 1 1 104 104 GLU H H 1 8.43 . . 1 . . . . . . . . 4156 1 1269 . 1 1 104 104 GLU HA H 1 4.31 . . 1 . . . . . . . . 4156 1 1270 . 1 1 104 104 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 4156 1 1271 . 1 1 104 104 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 4156 1 1272 . 1 1 104 104 GLU HG2 H 1 2.20 . . 2 . . . . . . . . 4156 1 1273 . 1 1 104 104 GLU HG3 H 1 2.13 . . 2 . . . . . . . . 4156 1 1274 . 1 1 104 104 GLU C C 13 175.6 . . 1 . . . . . . . . 4156 1 1275 . 1 1 104 104 GLU CA C 13 56.3 . . 1 . . . . . . . . 4156 1 1276 . 1 1 104 104 GLU CB C 13 30.4 . . 1 . . . . . . . . 4156 1 1277 . 1 1 104 104 GLU CG C 13 36.1 . . 1 . . . . . . . . 4156 1 1278 . 1 1 104 104 GLU N N 15 127.4 . . 1 . . . . . . . . 4156 1 1279 . 1 1 105 105 PHE H H 1 8.42 . . 1 . . . . . . . . 4156 1 1280 . 1 1 105 105 PHE HA H 1 4.73 . . 1 . . . . . . . . 4156 1 1281 . 1 1 105 105 PHE HB2 H 1 3.15 . . 2 . . . . . . . . 4156 1 1282 . 1 1 105 105 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 4156 1 1283 . 1 1 105 105 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4156 1 1284 . 1 1 105 105 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4156 1 1285 . 1 1 105 105 PHE HE1 H 1 7.37 . . 1 . . . . . . . . 4156 1 1286 . 1 1 105 105 PHE HE2 H 1 7.37 . . 1 . . . . . . . . 4156 1 1287 . 1 1 105 105 PHE HZ H 1 7.32 . . 1 . . . . . . . . 4156 1 1288 . 1 1 105 105 PHE C C 13 175.6 . . 1 . . . . . . . . 4156 1 1289 . 1 1 105 105 PHE CA C 13 58.0 . . 1 . . . . . . . . 4156 1 1290 . 1 1 105 105 PHE CB C 13 40.0 . . 1 . . . . . . . . 4156 1 1291 . 1 1 105 105 PHE CD1 C 13 132.0 . . 1 . . . . . . . . 4156 1 1292 . 1 1 105 105 PHE CD2 C 13 132.0 . . 1 . . . . . . . . 4156 1 1293 . 1 1 105 105 PHE CE1 C 13 131.6 . . 1 . . . . . . . . 4156 1 1294 . 1 1 105 105 PHE CE2 C 13 131.6 . . 1 . . . . . . . . 4156 1 1295 . 1 1 105 105 PHE CZ C 13 130.0 . . 1 . . . . . . . . 4156 1 1296 . 1 1 105 105 PHE N N 15 124.3 . . 1 . . . . . . . . 4156 1 1297 . 1 1 106 106 THR H H 1 8.10 . . 1 . . . . . . . . 4156 1 1298 . 1 1 106 106 THR HA H 1 4.33 . . 1 . . . . . . . . 4156 1 1299 . 1 1 106 106 THR HB H 1 4.15 . . 1 . . . . . . . . 4156 1 1300 . 1 1 106 106 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4156 1 1301 . 1 1 106 106 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4156 1 1302 . 1 1 106 106 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4156 1 1303 . 1 1 106 106 THR C C 13 173.8 . . 1 . . . . . . . . 4156 1 1304 . 1 1 106 106 THR CA C 13 61.8 . . 1 . . . . . . . . 4156 1 1305 . 1 1 106 106 THR CB C 13 70.4 . . 1 . . . . . . . . 4156 1 1306 . 1 1 106 106 THR CG2 C 13 21.0 . . 1 . . . . . . . . 4156 1 1307 . 1 1 106 106 THR N N 15 118.8 . . 1 . . . . . . . . 4156 1 1308 . 1 1 107 107 GLU H H 1 8.41 . . 1 . . . . . . . . 4156 1 1309 . 1 1 107 107 GLU HA H 1 4.30 . . 1 . . . . . . . . 4156 1 1310 . 1 1 107 107 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4156 1 1311 . 1 1 107 107 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 4156 1 1312 . 1 1 107 107 GLU HG2 H 1 2.29 . . 1 . . . . . . . . 4156 1 1313 . 1 1 107 107 GLU HG3 H 1 2.29 . . 1 . . . . . . . . 4156 1 1314 . 1 1 107 107 GLU C C 13 176.1 . . 1 . . . . . . . . 4156 1 1315 . 1 1 107 107 GLU CA C 13 56.6 . . 1 . . . . . . . . 4156 1 1316 . 1 1 107 107 GLU CB C 13 30.6 . . 1 . . . . . . . . 4156 1 1317 . 1 1 107 107 GLU CG C 13 36.3 . . 1 . . . . . . . . 4156 1 1318 . 1 1 107 107 GLU N N 15 125.3 . . 1 . . . . . . . . 4156 1 1319 . 1 1 108 108 GLN H H 1 8.52 . . 1 . . . . . . . . 4156 1 1320 . 1 1 108 108 GLN HA H 1 4.44 . . 1 . . . . . . . . 4156 1 1321 . 1 1 108 108 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4156 1 1322 . 1 1 108 108 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 4156 1 1323 . 1 1 108 108 GLN HG2 H 1 2.40 . . 1 . . . . . . . . 4156 1 1324 . 1 1 108 108 GLN HG3 H 1 2.40 . . 1 . . . . . . . . 4156 1 1325 . 1 1 108 108 GLN HE21 H 1 7.60 . . 2 . . . . . . . . 4156 1 1326 . 1 1 108 108 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 4156 1 1327 . 1 1 108 108 GLN CA C 13 56.1 . . 1 . . . . . . . . 4156 1 1328 . 1 1 108 108 GLN CB C 13 29.6 . . 1 . . . . . . . . 4156 1 1329 . 1 1 108 108 GLN CG C 13 33.9 . . 1 . . . . . . . . 4156 1 1330 . 1 1 108 108 GLN N N 15 123.9 . . 1 . . . . . . . . 4156 1 1331 . 1 1 108 108 GLN NE2 N 15 114.4 . . 1 . . . . . . . . 4156 1 1332 . 1 1 109 109 THR H H 1 8.29 . . 1 . . . . . . . . 4156 1 1333 . 1 1 109 109 THR HA H 1 4.40 . . 1 . . . . . . . . 4156 1 1334 . 1 1 109 109 THR HB H 1 4.30 . . 1 . . . . . . . . 4156 1 1335 . 1 1 109 109 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4156 1 1336 . 1 1 109 109 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4156 1 1337 . 1 1 109 109 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4156 1 1338 . 1 1 109 109 THR C C 13 173.3 . . 1 . . . . . . . . 4156 1 1339 . 1 1 109 109 THR CA C 13 62.1 . . 1 . . . . . . . . 4156 1 1340 . 1 1 109 109 THR CB C 13 70.3 . . 1 . . . . . . . . 4156 1 1341 . 1 1 109 109 THR CG2 C 13 20.6 . . 1 . . . . . . . . 4156 1 1342 . 1 1 109 109 THR N N 15 118.3 . . 1 . . . . . . . . 4156 1 1343 . 1 1 110 110 ALA H H 1 8.06 . . 1 . . . . . . . . 4156 1 1344 . 1 1 110 110 ALA HA H 1 4.19 . . 1 . . . . . . . . 4156 1 1345 . 1 1 110 110 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4156 1 1346 . 1 1 110 110 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4156 1 1347 . 1 1 110 110 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4156 1 1348 . 1 1 110 110 ALA CA C 13 54.2 . . 1 . . . . . . . . 4156 1 1349 . 1 1 110 110 ALA CB C 13 20.1 . . 1 . . . . . . . . 4156 1 1350 . 1 1 110 110 ALA N N 15 133.9 . . 1 . . . . . . . . 4156 1 stop_ save_