data_4081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4081 _Entry.Title ; Sequence-specific 1H, 13C and 15N NMR Assignments of Recombinant Human Interferon Alpha-2a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-12-15 _Entry.Accession_date 1997-12-23 _Entry.Last_release_date 1998-03-20 _Entry.Original_release_date 1998-03-20 _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 Klaus Werner . . . 4081 2 Stephan Grzesiek . S. . 4081 3 Alexander Labhardt . M. . 4081 4 Hans Senn . . . 4081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 724 4081 '15N chemical shifts' 172 4081 '1H chemical shifts' 1193 4081 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 . . 1998-03-20 1997-12-15 original author . 4081 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98118493 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Werner, K., Gsell, B., Labhardt, A. M., Wipf, B., and Senn, H., "The Three-dimensional High Resolution Structure of Human Interferon alpha-2a Determined by Hetero-nuclear NMR Spectroscopy in Solution," J. Mol. Biol. 274, 661-675 (1997). ; _Citation.Title ; The Three-dimensional High Resolution Structure of Human Interferon alpha-2a Determined by Hetero-nuclear NMR Spectroscopy in Solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 274 _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 661 _Citation.Page_last 675 _Citation.Year 1997 _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 Klaus Werner . . . 4081 1 2 Bernard Gsell . . . 4081 1 3 Alexander Labhardt . M. . 4081 1 4 Beat Wipf . . . 4081 1 5 Hans Senn . . . 4081 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytokine 4081 1 'interferon alpha' 4081 1 'NMR assignments' 4081 1 'protein structure' 4081 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4081 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9417943 _Citation.Full_citation 'J. Mol. Biol. , vol. 274(4), 661-675"' _Citation.Title 'The three-dimensional high resolution structure of human interferon alpha-2a determined by heteronuclear NMR spectroscopy in solution.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 274 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 661 _Citation.Page_last 675 _Citation.Year 1997 _Citation.Details ; The solution structure of recombinant human interferon alpha-2a (Roferon-A) has been determined by multidimensional heteronuclear NMR spectroscopy. The calculations using simulated annealing produced a family of 24 convergent structures which satisfy the experimental restraints comprising 1541 NOE-derived inter-proton distances, 187 dihedral restraints, 66 pairs of hydrogen bond restraints, and six upper and lower limits for two disulfide bridges. The fractional labeling of methyl groups allowed their direct and unambiguous stereospecific assignment which proved to be essential for obtaining a high resolution of the structures. A best fit superposition of residues 10 to 47, 50 to 101 and 111 to 157 gives an rms deviation of 0.62 A for the backbone heavy atoms and 1.39 A for all heavy atoms of these segments. The dominant feature of the structure is a cluster of five alpha-helices, four of which are arranged to form a left-handed helix bundle with an up-up-down-down topology and two over-hand connections. The interpretation of heteronuclear 15N-1H NOE data shows the co-existence of flexible regions within an otherwise rigid framework of the protein. Four stretches of pronounced flexibility can be located: Cys1-Ser8, Gly44-Ala50, Ile100-Lys112, and Ser160-Glu165. Among the structurally related four-helical bundle cytokines, the structure of IFN alpha-2a is most similar to that of human interferon alpha-2b and murine interferon-beta. From this structural information and mutagenesis data, areas on the surface of the protein are identified which seem to be important in receptor interactions. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W Klaus W. . . 4081 2 2 B Gsell B. . . 4081 2 3 'A M' Labhardt A. M. . 4081 2 4 B Wipf B. . . 4081 2 5 H Senn H. . . 4081 2 stop_ save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4081 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation '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. . 4081 3 2 'C G' Bigam C. G. . 4081 3 3 J Yao J. . . 4081 3 4 F Abildgaard F. . . 4081 3 5 'H J' Dyson H. J. . 4081 3 6 E Oldfield E. . . 4081 3 7 'J L' Markley J. L. . 4081 3 8 'B D' Sykes B. D. . 4081 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_INF-alpha-2a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_INF-alpha-2a _Assembly.Entry_ID 4081 _Assembly.ID 1 _Assembly.Name Interferon-alpha-2a _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4081 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 INF-alpha-2a 1 $INF-alpha-2a . . . native . . . . . 4081 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 1 1 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 4081 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 138 138 SG . . . . . . . . . . 4081 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 1ITF . 'Interferon Alpha-2a, Nmr, 24 Structures' . . . . 4081 1 yes PDB 1RH2 . 'A Chain A, Recombinant Human Interferon-Alpha 2b' . . . . 4081 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID INF-alpha-2a abbreviation 4081 1 Interferon-alpha-2a system 4081 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID cytokine 4081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_INF-alpha-2a _Entity.Sf_category entity _Entity.Sf_framecode INF-alpha-2a _Entity.Entry_ID 4081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Interferon_alpha-2a _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 ; CDLPQTHSLGSRRTLMLLAQ MRKISLFSCLKDRHDFGFPQ EEFGNQFQKAETIPVLHEMI QQIFNLFSTKDSSAAWDETL LDKFYTELYQQLNDLEACVI QGVGVTETPLMKEDSILAVR KYFQRITLYLKEKKYSPCAW EVVRAEIMRSFSLSTNLQES LRSKE ; _Entity.Polymer_seq_one_letter_code ; CDLPQTHSLGSRRTLMLLAQ MRKISLFSCLKDRHDFGFPQ EEFGNQFQKAETIPVLHEMI QQIFNLFSTKDSSAAWDETL LDKFYTELYQQLNDLEACVI QGVGVTETPLMKEDSILAVR KYFQRITLYLKEKKYSPCAW EVVRAEIMRSFSLSTNLQES LRSKE ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16677 . entity_1 . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 2 no BMRB 18135 . Interferon_Alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 3 no BMRB 18344 . ggIFN_alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 4 no PDB 1ITF . "Interferon Alpha-2a, Nmr, 24 Structures" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 5 no PDB 1RH2 . "Recombinant Human Interferon-Alpha 2b" . . . . . 100.00 165 98.79 99.39 6.00e-117 . . . . 4081 1 6 no PDB 2HYM . "Nmr Based Docking Model Of The Complex Between The Human Type I Interferon Receptor And Human Interferon Alpha-2" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 7 no PDB 2KZ1 . "Inter-Molecular Interactions In A 44 Kda Interferon-Receptor Complex Detected By Asymmetric Back-Protonation And 2d Noesy" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 8 no PDB 2LAG . "Structure Of The 44 Kda Complex Of Interferon-Alpha2 With The Extracellular Part Of Ifnar2 Obtained By 2d-Double Difference Noe" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 9 no PDB 2LMS . "A Single Galnac Residue On Threonine-106 Modifies The Dynamics And The Structure Of Interferon Alpha-2a Around The Glycosylatio" . . . . . 100.00 166 100.00 100.00 4.76e-118 . . . . 4081 1 10 no PDB 3S9D . "Binary Complex Between Ifna2 And Ifnar2" . . . . . 100.00 168 97.58 98.18 1.32e-114 . . . . 4081 1 11 no PDB 3SE3 . "Human Ifna2-ifnar Ternary Complex" . . . . . 100.00 166 97.58 98.79 2.61e-115 . . . . 4081 1 12 no PDB 4YPG . "Structural Insights Into The Neutralization Properties Of A Human Anti-interferon Monoclonal Antibody" . . . . . 96.36 161 100.00 100.00 6.24e-114 . . . . 4081 1 13 no PDB 4Z5R . "Rontalizumab Fab Bound To Interferon-a2" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 4081 1 14 no DBJ BAJ20902 . "interferon, alpha 2 [synthetic construct]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 4081 1 15 no EMBL CAA23805 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 4081 1 16 no EMBL CAA23809 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 182 99.39 100.00 1.28e-117 . . . . 4081 1 17 no EMBL CAA23810 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 4081 1 18 no EMBL CAA25770 . "unnamed protein product [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 4081 1 19 no EMBL CAA46954 . "leukocytic interferon alpha-2 [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 4081 1 20 no GB AAA52715 . "alpha 2 interferon, partial [Homo sapiens]" . . . . . 100.00 165 99.39 100.00 1.34e-117 . . . . 4081 1 21 no GB AAA59181 . "interferon [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 4081 1 22 no GB AAB59402 . "interferon alpha-a [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 4081 1 23 no GB AAC64915 . "interferon alpha 2b- 44LQ [synthetic construct]" . . . . . 100.00 165 98.18 98.79 5.13e-115 . . . . 4081 1 24 no GB AAH74936 . "Interferon, alpha 2 [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 4081 1 25 no PRF 0611561A . interferon . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 4081 1 26 no PRF 0906342A . "interferon C term modified" . . . . . 93.33 164 100.00 100.00 1.17e-109 . . . . 4081 1 27 no REF NP_000596 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 4081 1 28 no REF XP_003830724 . "PREDICTED: interferon alpha-2 [Pan paniscus]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 4081 1 29 no REF XP_004047919 . "PREDICTED: interferon alpha-2 [Gorilla gorilla gorilla]" . . . . . 100.00 188 98.18 100.00 1.40e-116 . . . . 4081 1 30 no REF XP_528568 . "PREDICTED: interferon alpha-2 [Pan troglodytes]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 4081 1 31 no SP P01563 . "RecName: Full=Interferon alpha-2; Short=IFN-alpha-2; AltName: Full=Interferon alpha-A; Short=LeIF A; Flags: Precursor" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 4081 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID INFA abbreviation 4081 1 Interferon_alpha-2a common 4081 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 . CYS . 4081 1 2 . ASP . 4081 1 3 . LEU . 4081 1 4 . PRO . 4081 1 5 . GLN . 4081 1 6 . THR . 4081 1 7 . HIS . 4081 1 8 . SER . 4081 1 9 . LEU . 4081 1 10 . GLY . 4081 1 11 . SER . 4081 1 12 . ARG . 4081 1 13 . ARG . 4081 1 14 . THR . 4081 1 15 . LEU . 4081 1 16 . MET . 4081 1 17 . LEU . 4081 1 18 . LEU . 4081 1 19 . ALA . 4081 1 20 . GLN . 4081 1 21 . MET . 4081 1 22 . ARG . 4081 1 23 . LYS . 4081 1 24 . ILE . 4081 1 25 . SER . 4081 1 26 . LEU . 4081 1 27 . PHE . 4081 1 28 . SER . 4081 1 29 . CYS . 4081 1 30 . LEU . 4081 1 31 . LYS . 4081 1 32 . ASP . 4081 1 33 . ARG . 4081 1 34 . HIS . 4081 1 35 . ASP . 4081 1 36 . PHE . 4081 1 37 . GLY . 4081 1 38 . PHE . 4081 1 39 . PRO . 4081 1 40 . GLN . 4081 1 41 . GLU . 4081 1 42 . GLU . 4081 1 43 . PHE . 4081 1 44 . GLY . 4081 1 45 . ASN . 4081 1 46 . GLN . 4081 1 47 . PHE . 4081 1 48 . GLN . 4081 1 49 . LYS . 4081 1 50 . ALA . 4081 1 51 . GLU . 4081 1 52 . THR . 4081 1 53 . ILE . 4081 1 54 . PRO . 4081 1 55 . VAL . 4081 1 56 . LEU . 4081 1 57 . HIS . 4081 1 58 . GLU . 4081 1 59 . MET . 4081 1 60 . ILE . 4081 1 61 . GLN . 4081 1 62 . GLN . 4081 1 63 . ILE . 4081 1 64 . PHE . 4081 1 65 . ASN . 4081 1 66 . LEU . 4081 1 67 . PHE . 4081 1 68 . SER . 4081 1 69 . THR . 4081 1 70 . LYS . 4081 1 71 . ASP . 4081 1 72 . SER . 4081 1 73 . SER . 4081 1 74 . ALA . 4081 1 75 . ALA . 4081 1 76 . TRP . 4081 1 77 . ASP . 4081 1 78 . GLU . 4081 1 79 . THR . 4081 1 80 . LEU . 4081 1 81 . LEU . 4081 1 82 . ASP . 4081 1 83 . LYS . 4081 1 84 . PHE . 4081 1 85 . TYR . 4081 1 86 . THR . 4081 1 87 . GLU . 4081 1 88 . LEU . 4081 1 89 . TYR . 4081 1 90 . GLN . 4081 1 91 . GLN . 4081 1 92 . LEU . 4081 1 93 . ASN . 4081 1 94 . ASP . 4081 1 95 . LEU . 4081 1 96 . GLU . 4081 1 97 . ALA . 4081 1 98 . CYS . 4081 1 99 . VAL . 4081 1 100 . ILE . 4081 1 101 . GLN . 4081 1 102 . GLY . 4081 1 103 . VAL . 4081 1 104 . GLY . 4081 1 105 . VAL . 4081 1 106 . THR . 4081 1 107 . GLU . 4081 1 108 . THR . 4081 1 109 . PRO . 4081 1 110 . LEU . 4081 1 111 . MET . 4081 1 112 . LYS . 4081 1 113 . GLU . 4081 1 114 . ASP . 4081 1 115 . SER . 4081 1 116 . ILE . 4081 1 117 . LEU . 4081 1 118 . ALA . 4081 1 119 . VAL . 4081 1 120 . ARG . 4081 1 121 . LYS . 4081 1 122 . TYR . 4081 1 123 . PHE . 4081 1 124 . GLN . 4081 1 125 . ARG . 4081 1 126 . ILE . 4081 1 127 . THR . 4081 1 128 . LEU . 4081 1 129 . TYR . 4081 1 130 . LEU . 4081 1 131 . LYS . 4081 1 132 . GLU . 4081 1 133 . LYS . 4081 1 134 . LYS . 4081 1 135 . TYR . 4081 1 136 . SER . 4081 1 137 . PRO . 4081 1 138 . CYS . 4081 1 139 . ALA . 4081 1 140 . TRP . 4081 1 141 . GLU . 4081 1 142 . VAL . 4081 1 143 . VAL . 4081 1 144 . ARG . 4081 1 145 . ALA . 4081 1 146 . GLU . 4081 1 147 . ILE . 4081 1 148 . MET . 4081 1 149 . ARG . 4081 1 150 . SER . 4081 1 151 . PHE . 4081 1 152 . SER . 4081 1 153 . LEU . 4081 1 154 . SER . 4081 1 155 . THR . 4081 1 156 . ASN . 4081 1 157 . LEU . 4081 1 158 . GLN . 4081 1 159 . GLU . 4081 1 160 . SER . 4081 1 161 . LEU . 4081 1 162 . ARG . 4081 1 163 . SER . 4081 1 164 . LYS . 4081 1 165 . GLU . 4081 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 . CYS 1 1 4081 1 . ASP 2 2 4081 1 . LEU 3 3 4081 1 . PRO 4 4 4081 1 . GLN 5 5 4081 1 . THR 6 6 4081 1 . HIS 7 7 4081 1 . SER 8 8 4081 1 . LEU 9 9 4081 1 . GLY 10 10 4081 1 . SER 11 11 4081 1 . ARG 12 12 4081 1 . ARG 13 13 4081 1 . THR 14 14 4081 1 . LEU 15 15 4081 1 . MET 16 16 4081 1 . LEU 17 17 4081 1 . LEU 18 18 4081 1 . ALA 19 19 4081 1 . GLN 20 20 4081 1 . MET 21 21 4081 1 . ARG 22 22 4081 1 . LYS 23 23 4081 1 . ILE 24 24 4081 1 . SER 25 25 4081 1 . LEU 26 26 4081 1 . PHE 27 27 4081 1 . SER 28 28 4081 1 . CYS 29 29 4081 1 . LEU 30 30 4081 1 . LYS 31 31 4081 1 . ASP 32 32 4081 1 . ARG 33 33 4081 1 . HIS 34 34 4081 1 . ASP 35 35 4081 1 . PHE 36 36 4081 1 . GLY 37 37 4081 1 . PHE 38 38 4081 1 . PRO 39 39 4081 1 . GLN 40 40 4081 1 . GLU 41 41 4081 1 . GLU 42 42 4081 1 . PHE 43 43 4081 1 . GLY 44 44 4081 1 . ASN 45 45 4081 1 . GLN 46 46 4081 1 . PHE 47 47 4081 1 . GLN 48 48 4081 1 . LYS 49 49 4081 1 . ALA 50 50 4081 1 . GLU 51 51 4081 1 . THR 52 52 4081 1 . ILE 53 53 4081 1 . PRO 54 54 4081 1 . VAL 55 55 4081 1 . LEU 56 56 4081 1 . HIS 57 57 4081 1 . GLU 58 58 4081 1 . MET 59 59 4081 1 . ILE 60 60 4081 1 . GLN 61 61 4081 1 . GLN 62 62 4081 1 . ILE 63 63 4081 1 . PHE 64 64 4081 1 . ASN 65 65 4081 1 . LEU 66 66 4081 1 . PHE 67 67 4081 1 . SER 68 68 4081 1 . THR 69 69 4081 1 . LYS 70 70 4081 1 . ASP 71 71 4081 1 . SER 72 72 4081 1 . SER 73 73 4081 1 . ALA 74 74 4081 1 . ALA 75 75 4081 1 . TRP 76 76 4081 1 . ASP 77 77 4081 1 . GLU 78 78 4081 1 . THR 79 79 4081 1 . LEU 80 80 4081 1 . LEU 81 81 4081 1 . ASP 82 82 4081 1 . LYS 83 83 4081 1 . PHE 84 84 4081 1 . TYR 85 85 4081 1 . THR 86 86 4081 1 . GLU 87 87 4081 1 . LEU 88 88 4081 1 . TYR 89 89 4081 1 . GLN 90 90 4081 1 . GLN 91 91 4081 1 . LEU 92 92 4081 1 . ASN 93 93 4081 1 . ASP 94 94 4081 1 . LEU 95 95 4081 1 . GLU 96 96 4081 1 . ALA 97 97 4081 1 . CYS 98 98 4081 1 . VAL 99 99 4081 1 . ILE 100 100 4081 1 . GLN 101 101 4081 1 . GLY 102 102 4081 1 . VAL 103 103 4081 1 . GLY 104 104 4081 1 . VAL 105 105 4081 1 . THR 106 106 4081 1 . GLU 107 107 4081 1 . THR 108 108 4081 1 . PRO 109 109 4081 1 . LEU 110 110 4081 1 . MET 111 111 4081 1 . LYS 112 112 4081 1 . GLU 113 113 4081 1 . ASP 114 114 4081 1 . SER 115 115 4081 1 . ILE 116 116 4081 1 . LEU 117 117 4081 1 . ALA 118 118 4081 1 . VAL 119 119 4081 1 . ARG 120 120 4081 1 . LYS 121 121 4081 1 . TYR 122 122 4081 1 . PHE 123 123 4081 1 . GLN 124 124 4081 1 . ARG 125 125 4081 1 . ILE 126 126 4081 1 . THR 127 127 4081 1 . LEU 128 128 4081 1 . TYR 129 129 4081 1 . LEU 130 130 4081 1 . LYS 131 131 4081 1 . GLU 132 132 4081 1 . LYS 133 133 4081 1 . LYS 134 134 4081 1 . TYR 135 135 4081 1 . SER 136 136 4081 1 . PRO 137 137 4081 1 . CYS 138 138 4081 1 . ALA 139 139 4081 1 . TRP 140 140 4081 1 . GLU 141 141 4081 1 . VAL 142 142 4081 1 . VAL 143 143 4081 1 . ARG 144 144 4081 1 . ALA 145 145 4081 1 . GLU 146 146 4081 1 . ILE 147 147 4081 1 . MET 148 148 4081 1 . ARG 149 149 4081 1 . SER 150 150 4081 1 . PHE 151 151 4081 1 . SER 152 152 4081 1 . LEU 153 153 4081 1 . SER 154 154 4081 1 . THR 155 155 4081 1 . ASN 156 156 4081 1 . LEU 157 157 4081 1 . GLN 158 158 4081 1 . GLU 159 159 4081 1 . SER 160 160 4081 1 . LEU 161 161 4081 1 . ARG 162 162 4081 1 . SER 163 163 4081 1 . LYS 164 164 4081 1 . GLU 165 165 4081 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 4081 _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 $INF-alpha-2a . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4081 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 4081 _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 $INF-alpha-2a . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4081 _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 Interferon_alpha-2a . . . 1 $INF-alpha-2a . . 2.0 . . mM . . . . 4081 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4081 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.2 . n/a 4081 1 temperature 298 0.1 K 4081 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-Pipe _Software.Sf_category software _Software.Sf_framecode NMR-Pipe _Software.Entry_ID 4081 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_one _NMR_spectrometer.Entry_ID 4081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_two _NMR_spectrometer.Entry_ID 4081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX2-500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_three _NMR_spectrometer.Entry_ID 4081 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX600 _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 4081 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_one Bruker AMX500 . 500 . . . 4081 1 2 spectrometer_two Bruker AMX2-500 . 500 . . . 4081 1 3 spectrometer_three Bruker DMX600 . 600 . . . 4081 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 4081 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 2D_1H-1H_HOHAHA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 2 2D_1H-1H_NOESY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 3 2D_1H-1H_CLEAN-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 4 2D_1H-13C_HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 5 2D_1H-13C_CT-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 6 2D_1H-15N_HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 7 'Three-dimensional experiments' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4081 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4081 _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 . . . . . ppm 0.00 . indirect 0.251449 . . . . . . . . . 4081 1 H 1 DSS . . . . . ppm 0.00 internal direct . . . . . . . . . . 4081 1 N 15 DSS . . . . . ppm 0.00 . indirect 0.101329 . . . . . . . . . 4081 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_INF-alpha-2a _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_INF-alpha-2a _Assigned_chem_shift_list.Entry_ID 4081 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4081 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 CYS HA H 1 4.26 0.03 . 1 . . . . . . . . 4081 1 2 . 1 1 1 1 CYS HB2 H 1 3.31 0.03 . 2 . . . . . . . . 4081 1 3 . 1 1 1 1 CYS HB3 H 1 3.13 0.03 . 2 . . . . . . . . 4081 1 4 . 1 1 1 1 CYS C C 13 169.97 0.12 . 1 . . . . . . . . 4081 1 5 . 1 1 1 1 CYS CA C 13 54.97 0.12 . 1 . . . . . . . . 4081 1 6 . 1 1 1 1 CYS CB C 13 41.00 0.12 . 1 . . . . . . . . 4081 1 7 . 1 1 2 2 ASP H H 1 9.19 0.03 . 1 . . . . . . . . 4081 1 8 . 1 1 2 2 ASP HA H 1 4.82 0.03 . 1 . . . . . . . . 4081 1 9 . 1 1 2 2 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4081 1 10 . 1 1 2 2 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 4081 1 11 . 1 1 2 2 ASP C C 13 174.50 0.12 . 1 . . . . . . . . 4081 1 12 . 1 1 2 2 ASP CA C 13 53.20 0.12 . 1 . . . . . . . . 4081 1 13 . 1 1 2 2 ASP CB C 13 40.65 0.12 . 1 . . . . . . . . 4081 1 14 . 1 1 2 2 ASP N N 15 127.74 0.15 . 1 . . . . . . . . 4081 1 15 . 1 1 3 3 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 4081 1 16 . 1 1 3 3 LEU HA H 1 4.44 0.03 . 1 . . . . . . . . 4081 1 17 . 1 1 3 3 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 4081 1 18 . 1 1 3 3 LEU HB3 H 1 1.36 0.03 . 2 . . . . . . . . 4081 1 19 . 1 1 3 3 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 4081 1 20 . 1 1 3 3 LEU HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 21 . 1 1 3 3 LEU HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 22 . 1 1 3 3 LEU HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 23 . 1 1 3 3 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 4081 1 24 . 1 1 3 3 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 4081 1 25 . 1 1 3 3 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 4081 1 26 . 1 1 3 3 LEU CA C 13 53.80 0.12 . 1 . . . . . . . . 4081 1 27 . 1 1 3 3 LEU CB C 13 41.40 0.12 . 1 . . . . . . . . 4081 1 28 . 1 1 3 3 LEU CG C 13 27.00 0.12 . 1 . . . . . . . . 4081 1 29 . 1 1 3 3 LEU CD1 C 13 25.45 0.12 . 1 . . . . . . . . 4081 1 30 . 1 1 3 3 LEU CD2 C 13 24.00 0.12 . 1 . . . . . . . . 4081 1 31 . 1 1 3 3 LEU N N 15 124.12 0.15 . 1 . . . . . . . . 4081 1 32 . 1 1 4 4 PRO HA H 1 4.41 0.03 . 1 . . . . . . . . 4081 1 33 . 1 1 4 4 PRO HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4081 1 34 . 1 1 4 4 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 4081 1 35 . 1 1 4 4 PRO HG2 H 1 1.99 0.03 . 2 . . . . . . . . 4081 1 36 . 1 1 4 4 PRO HG3 H 1 1.99 0.03 . 2 . . . . . . . . 4081 1 37 . 1 1 4 4 PRO HD2 H 1 3.53 0.03 . 1 . . . . . . . . 4081 1 38 . 1 1 4 4 PRO HD3 H 1 3.83 0.03 . 1 . . . . . . . . 4081 1 39 . 1 1 4 4 PRO C C 13 177.69 0.12 . 1 . . . . . . . . 4081 1 40 . 1 1 4 4 PRO CA C 13 63.84 0.12 . 1 . . . . . . . . 4081 1 41 . 1 1 4 4 PRO CB C 13 31.96 0.12 . 1 . . . . . . . . 4081 1 42 . 1 1 4 4 PRO CG C 13 27.86 0.12 . 1 . . . . . . . . 4081 1 43 . 1 1 4 4 PRO CD C 13 50.55 0.12 . 1 . . . . . . . . 4081 1 44 . 1 1 5 5 GLN H H 1 8.74 0.03 . 1 . . . . . . . . 4081 1 45 . 1 1 5 5 GLN HA H 1 4.26 0.03 . 1 . . . . . . . . 4081 1 46 . 1 1 5 5 GLN HB2 H 1 2.13 0.03 . 2 . . . . . . . . 4081 1 47 . 1 1 5 5 GLN HB3 H 1 2.06 0.03 . 2 . . . . . . . . 4081 1 48 . 1 1 5 5 GLN HG2 H 1 2.41 0.03 . 2 . . . . . . . . 4081 1 49 . 1 1 5 5 GLN HG3 H 1 2.41 0.03 . 2 . . . . . . . . 4081 1 50 . 1 1 5 5 GLN C C 13 177.15 0.12 . 1 . . . . . . . . 4081 1 51 . 1 1 5 5 GLN CA C 13 57.50 0.12 . 1 . . . . . . . . 4081 1 52 . 1 1 5 5 GLN CB C 13 28.93 0.12 . 1 . . . . . . . . 4081 1 53 . 1 1 5 5 GLN CG C 13 33.71 0.12 . 1 . . . . . . . . 4081 1 54 . 1 1 5 5 GLN N N 15 119.62 0.15 . 1 . . . . . . . . 4081 1 55 . 1 1 6 6 THR H H 1 7.83 0.03 . 1 . . . . . . . . 4081 1 56 . 1 1 6 6 THR HA H 1 4.20 0.03 . 1 . . . . . . . . 4081 1 57 . 1 1 6 6 THR HB H 1 4.22 0.03 . 1 . . . . . . . . 4081 1 58 . 1 1 6 6 THR HG21 H 1 1.15 0.03 . 1 . . . . . . . . 4081 1 59 . 1 1 6 6 THR HG22 H 1 1.15 0.03 . 1 . . . . . . . . 4081 1 60 . 1 1 6 6 THR HG23 H 1 1.15 0.03 . 1 . . . . . . . . 4081 1 61 . 1 1 6 6 THR C C 13 175.49 0.12 . 1 . . . . . . . . 4081 1 62 . 1 1 6 6 THR CA C 13 62.74 0.12 . 1 . . . . . . . . 4081 1 63 . 1 1 6 6 THR CB C 13 69.17 0.12 . 1 . . . . . . . . 4081 1 64 . 1 1 6 6 THR CG2 C 13 22.03 0.12 . 1 . . . . . . . . 4081 1 65 . 1 1 6 6 THR N N 15 110.25 0.15 . 1 . . . . . . . . 4081 1 66 . 1 1 7 7 HIS H H 1 8.27 0.03 . 1 . . . . . . . . 4081 1 67 . 1 1 7 7 HIS HA H 1 4.68 0.03 . 1 . . . . . . . . 4081 1 68 . 1 1 7 7 HIS HB2 H 1 3.18 0.03 . 1 . . . . . . . . 4081 1 69 . 1 1 7 7 HIS HB3 H 1 3.40 0.03 . 1 . . . . . . . . 4081 1 70 . 1 1 7 7 HIS HD2 H 1 7.33 0.03 . 1 . . . . . . . . 4081 1 71 . 1 1 7 7 HIS HE1 H 1 8.55 0.03 . 1 . . . . . . . . 4081 1 72 . 1 1 7 7 HIS C C 13 175.41 0.12 . 1 . . . . . . . . 4081 1 73 . 1 1 7 7 HIS CA C 13 56.41 0.12 . 1 . . . . . . . . 4081 1 74 . 1 1 7 7 HIS CB C 13 28.40 0.12 . 1 . . . . . . . . 4081 1 75 . 1 1 7 7 HIS CD2 C 13 120.20 0.12 . 1 . . . . . . . . 4081 1 76 . 1 1 7 7 HIS CE1 C 13 136.00 0.12 . 1 . . . . . . . . 4081 1 77 . 1 1 7 7 HIS N N 15 119.48 0.15 . 0 . . . . . . . . 4081 1 78 . 1 1 8 8 SER H H 1 8.20 0.03 . 1 . . . . . . . . 4081 1 79 . 1 1 8 8 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 4081 1 80 . 1 1 8 8 SER HB2 H 1 3.98 0.03 . 2 . . . . . . . . 4081 1 81 . 1 1 8 8 SER HB3 H 1 3.94 0.03 . 2 . . . . . . . . 4081 1 82 . 1 1 8 8 SER C C 13 175.71 0.12 . 1 . . . . . . . . 4081 1 83 . 1 1 8 8 SER CA C 13 59.66 0.12 . 1 . . . . . . . . 4081 1 84 . 1 1 8 8 SER CB C 13 63.62 0.12 . 1 . . . . . . . . 4081 1 85 . 1 1 8 8 SER N N 15 115.67 0.15 . 1 . . . . . . . . 4081 1 86 . 1 1 9 9 LEU H H 1 8.31 0.03 . 1 . . . . . . . . 4081 1 87 . 1 1 9 9 LEU HA H 1 4.18 0.03 . 1 . . . . . . . . 4081 1 88 . 1 1 9 9 LEU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4081 1 89 . 1 1 9 9 LEU HB3 H 1 1.63 0.03 . 2 . . . . . . . . 4081 1 90 . 1 1 9 9 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 4081 1 91 . 1 1 9 9 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 92 . 1 1 9 9 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 93 . 1 1 9 9 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 94 . 1 1 9 9 LEU HD21 H 1 0.86 0.03 . 1 . . . . . . . . 4081 1 95 . 1 1 9 9 LEU HD22 H 1 0.86 0.03 . 1 . . . . . . . . 4081 1 96 . 1 1 9 9 LEU HD23 H 1 0.86 0.03 . 1 . . . . . . . . 4081 1 97 . 1 1 9 9 LEU C C 13 178.87 0.12 . 1 . . . . . . . . 4081 1 98 . 1 1 9 9 LEU CA C 13 57.32 0.12 . 1 . . . . . . . . 4081 1 99 . 1 1 9 9 LEU CB C 13 41.65 0.12 . 1 . . . . . . . . 4081 1 100 . 1 1 9 9 LEU CG C 13 27.07 0.12 . 1 . . . . . . . . 4081 1 101 . 1 1 9 9 LEU CD1 C 13 24.54 0.12 . 1 . . . . . . . . 4081 1 102 . 1 1 9 9 LEU CD2 C 13 24.01 0.12 . 1 . . . . . . . . 4081 1 103 . 1 1 9 9 LEU N N 15 123.48 0.15 . 1 . . . . . . . . 4081 1 104 . 1 1 10 10 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 4081 1 105 . 1 1 10 10 GLY HA2 H 1 3.89 0.03 . 2 . . . . . . . . 4081 1 106 . 1 1 10 10 GLY HA3 H 1 3.93 0.03 . 2 . . . . . . . . 4081 1 107 . 1 1 10 10 GLY C C 13 176.85 0.12 . 1 . . . . . . . . 4081 1 108 . 1 1 10 10 GLY CA C 13 47.10 0.12 . 1 . . . . . . . . 4081 1 109 . 1 1 10 10 GLY N N 15 107.35 0.15 . 1 . . . . . . . . 4081 1 110 . 1 1 11 11 SER H H 1 8.28 0.03 . 1 . . . . . . . . 4081 1 111 . 1 1 11 11 SER HA H 1 4.28 0.03 . 1 . . . . . . . . 4081 1 112 . 1 1 11 11 SER HB2 H 1 3.96 0.03 . 2 . . . . . . . . 4081 1 113 . 1 1 11 11 SER HB3 H 1 3.96 0.03 . 2 . . . . . . . . 4081 1 114 . 1 1 11 11 SER C C 13 175.79 0.12 . 2 . . . . . . . . 4081 1 115 . 1 1 11 11 SER CA C 13 61.49 0.12 . 2 . . . . . . . . 4081 1 116 . 1 1 11 11 SER CB C 13 62.84 0.12 . 2 . . . . . . . . 4081 1 117 . 1 1 11 11 SER N N 15 119.31 0.15 . 2 . . . . . . . . 4081 1 118 . 1 1 12 12 ARG H H 1 7.95 0.03 . 1 . . . . . . . . 4081 1 119 . 1 1 12 12 ARG HA H 1 3.98 0.03 . 1 . . . . . . . . 4081 1 120 . 1 1 12 12 ARG HB2 H 1 1.94 0.03 . 2 . . . . . . . . 4081 1 121 . 1 1 12 12 ARG HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4081 1 122 . 1 1 12 12 ARG HG2 H 1 1.68 0.03 . 2 . . . . . . . . 4081 1 123 . 1 1 12 12 ARG HG3 H 1 1.47 0.03 . 2 . . . . . . . . 4081 1 124 . 1 1 12 12 ARG HD2 H 1 3.15 0.03 . 2 . . . . . . . . 4081 1 125 . 1 1 12 12 ARG HD3 H 1 3.15 0.03 . 2 . . . . . . . . 4081 1 126 . 1 1 12 12 ARG C C 13 179.28 0.12 . 1 . . . . . . . . 4081 1 127 . 1 1 12 12 ARG CA C 13 59.82 0.12 . 1 . . . . . . . . 4081 1 128 . 1 1 12 12 ARG CB C 13 30.29 0.12 . 1 . . . . . . . . 4081 1 129 . 1 1 12 12 ARG CG C 13 27.94 0.12 . 1 . . . . . . . . 4081 1 130 . 1 1 12 12 ARG N N 15 121.66 0.15 . 1 . . . . . . . . 4081 1 131 . 1 1 13 13 ARG H H 1 8.49 0.03 . 1 . . . . . . . . 4081 1 132 . 1 1 13 13 ARG HA H 1 4.01 0.03 . 1 . . . . . . . . 4081 1 133 . 1 1 13 13 ARG HG2 H 1 1.40 0.03 . 2 . . . . . . . . 4081 1 134 . 1 1 13 13 ARG HG3 H 1 1.40 0.03 . 2 . . . . . . . . 4081 1 135 . 1 1 13 13 ARG HD2 H 1 3.15 0.03 . 2 . . . . . . . . 4081 1 136 . 1 1 13 13 ARG HD3 H 1 3.15 0.03 . 2 . . . . . . . . 4081 1 137 . 1 1 13 13 ARG C C 13 178.67 0.12 . 1 . . . . . . . . 4081 1 138 . 1 1 13 13 ARG CA C 13 59.79 0.12 . 1 . . . . . . . . 4081 1 139 . 1 1 13 13 ARG CB C 13 30.01 0.12 . 1 . . . . . . . . 4081 1 140 . 1 1 13 13 ARG CD C 13 43.44 0.12 . 1 . . . . . . . . 4081 1 141 . 1 1 14 14 THR H H 1 7.99 0.03 . 1 . . . . . . . . 4081 1 142 . 1 1 14 14 THR HA H 1 3.56 0.03 . 1 . . . . . . . . 4081 1 143 . 1 1 14 14 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 4081 1 144 . 1 1 14 14 THR HG21 H 1 0.53 0.03 . 1 . . . . . . . . 4081 1 145 . 1 1 14 14 THR HG22 H 1 0.53 0.03 . 1 . . . . . . . . 4081 1 146 . 1 1 14 14 THR HG23 H 1 0.53 0.03 . 1 . . . . . . . . 4081 1 147 . 1 1 14 14 THR C C 13 175.65 0.12 . 1 . . . . . . . . 4081 1 148 . 1 1 14 14 THR CA C 13 68.29 0.12 . 1 . . . . . . . . 4081 1 149 . 1 1 14 14 THR CB C 13 67.89 0.12 . 1 . . . . . . . . 4081 1 150 . 1 1 14 14 THR CG2 C 13 21.35 0.12 . 1 . . . . . . . . 4081 1 151 . 1 1 14 14 THR N N 15 116.64 0.15 . 1 . . . . . . . . 4081 1 152 . 1 1 15 15 LEU H H 1 7.55 0.03 . 1 . . . . . . . . 4081 1 153 . 1 1 15 15 LEU HA H 1 3.89 0.03 . 1 . . . . . . . . 4081 1 154 . 1 1 15 15 LEU HB2 H 1 1.86 0.03 . 2 . . . . . . . . 4081 1 155 . 1 1 15 15 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4081 1 156 . 1 1 15 15 LEU HG H 1 1.76 0.03 . 1 . . . . . . . . 4081 1 157 . 1 1 15 15 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 158 . 1 1 15 15 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 159 . 1 1 15 15 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 160 . 1 1 15 15 LEU HD21 H 1 1.00 0.03 . 1 . . . . . . . . 4081 1 161 . 1 1 15 15 LEU HD22 H 1 1.00 0.03 . 1 . . . . . . . . 4081 1 162 . 1 1 15 15 LEU HD23 H 1 1.00 0.03 . 1 . . . . . . . . 4081 1 163 . 1 1 15 15 LEU C C 13 178.68 0.12 . 1 . . . . . . . . 4081 1 164 . 1 1 15 15 LEU CA C 13 58.13 0.12 . 1 . . . . . . . . 4081 1 165 . 1 1 15 15 LEU CB C 13 41.51 0.12 . 1 . . . . . . . . 4081 1 166 . 1 1 15 15 LEU CG C 13 27.55 0.12 . 1 . . . . . . . . 4081 1 167 . 1 1 15 15 LEU CD1 C 13 25.95 0.12 . 1 . . . . . . . . 4081 1 168 . 1 1 15 15 LEU CD2 C 13 25.06 0.12 . 1 . . . . . . . . 4081 1 169 . 1 1 15 15 LEU N N 15 119.99 0.15 . 1 . . . . . . . . 4081 1 170 . 1 1 16 16 MET H H 1 7.98 0.03 . 1 . . . . . . . . 4081 1 171 . 1 1 16 16 MET HA H 1 4.04 0.03 . 1 . . . . . . . . 4081 1 172 . 1 1 16 16 MET HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4081 1 173 . 1 1 16 16 MET HB3 H 1 2.17 0.03 . 2 . . . . . . . . 4081 1 174 . 1 1 16 16 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 4081 1 175 . 1 1 16 16 MET HG3 H 1 2.60 0.03 . 2 . . . . . . . . 4081 1 176 . 1 1 16 16 MET HE1 H 1 2.01 0.03 . 1 . . . . . . . . 4081 1 177 . 1 1 16 16 MET HE2 H 1 2.01 0.03 . 1 . . . . . . . . 4081 1 178 . 1 1 16 16 MET HE3 H 1 2.01 0.03 . 1 . . . . . . . . 4081 1 179 . 1 1 16 16 MET C C 13 178.80 0.12 . 1 . . . . . . . . 4081 1 180 . 1 1 16 16 MET CA C 13 58.64 0.12 . 1 . . . . . . . . 4081 1 181 . 1 1 16 16 MET CB C 13 32.35 0.12 . 1 . . . . . . . . 4081 1 182 . 1 1 16 16 MET CG C 13 31.83 0.12 . 1 . . . . . . . . 4081 1 183 . 1 1 16 16 MET CE C 13 16.94 0.12 . 1 . . . . . . . . 4081 1 184 . 1 1 16 16 MET N N 15 118.48 0.15 . 1 . . . . . . . . 4081 1 185 . 1 1 17 17 LEU H H 1 7.85 0.03 . 1 . . . . . . . . 4081 1 186 . 1 1 17 17 LEU HA H 1 3.91 0.03 . 1 . . . . . . . . 4081 1 187 . 1 1 17 17 LEU HB2 H 1 1.92 0.03 . 1 . . . . . . . . 4081 1 188 . 1 1 17 17 LEU HB3 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 189 . 1 1 17 17 LEU HG H 1 1.74 0.03 . 1 . . . . . . . . 4081 1 190 . 1 1 17 17 LEU HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 191 . 1 1 17 17 LEU HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 192 . 1 1 17 17 LEU HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 193 . 1 1 17 17 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 194 . 1 1 17 17 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 195 . 1 1 17 17 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 196 . 1 1 17 17 LEU C C 13 178.30 0.12 . 1 . . . . . . . . 4081 1 197 . 1 1 17 17 LEU CA C 13 57.94 0.12 . 1 . . . . . . . . 4081 1 198 . 1 1 17 17 LEU CB C 13 42.34 0.12 . 1 . . . . . . . . 4081 1 199 . 1 1 17 17 LEU CG C 13 23.45 0.12 . 1 . . . . . . . . 4081 1 200 . 1 1 17 17 LEU CD1 C 13 26.37 0.12 . 1 . . . . . . . . 4081 1 201 . 1 1 17 17 LEU CD2 C 13 25.13 0.12 . 1 . . . . . . . . 4081 1 202 . 1 1 17 17 LEU N N 15 120.51 0.15 . 1 . . . . . . . . 4081 1 203 . 1 1 18 18 LEU H H 1 7.51 0.03 . 1 . . . . . . . . 4081 1 204 . 1 1 18 18 LEU HA H 1 3.55 0.03 . 1 . . . . . . . . 4081 1 205 . 1 1 18 18 LEU HB2 H 1 1.63 0.03 . 1 . . . . . . . . 4081 1 206 . 1 1 18 18 LEU HB3 H 1 1.13 0.03 . 1 . . . . . . . . 4081 1 207 . 1 1 18 18 LEU HG H 1 1.14 0.03 . 1 . . . . . . . . 4081 1 208 . 1 1 18 18 LEU HD11 H 1 0.43 0.03 . 1 . . . . . . . . 4081 1 209 . 1 1 18 18 LEU HD12 H 1 0.43 0.03 . 1 . . . . . . . . 4081 1 210 . 1 1 18 18 LEU HD13 H 1 0.43 0.03 . 1 . . . . . . . . 4081 1 211 . 1 1 18 18 LEU HD21 H 1 0.21 0.03 . 1 . . . . . . . . 4081 1 212 . 1 1 18 18 LEU HD22 H 1 0.21 0.03 . 1 . . . . . . . . 4081 1 213 . 1 1 18 18 LEU HD23 H 1 0.21 0.03 . 1 . . . . . . . . 4081 1 214 . 1 1 18 18 LEU C C 13 180.31 0.12 . 1 . . . . . . . . 4081 1 215 . 1 1 18 18 LEU CA C 13 57.71 0.12 . 1 . . . . . . . . 4081 1 216 . 1 1 18 18 LEU CB C 13 42.37 0.12 . 1 . . . . . . . . 4081 1 217 . 1 1 18 18 LEU CG C 13 27.39 0.12 . 1 . . . . . . . . 4081 1 218 . 1 1 18 18 LEU CD1 C 13 25.43 0.12 . 1 . . . . . . . . 4081 1 219 . 1 1 18 18 LEU CD2 C 13 23.84 0.12 . 1 . . . . . . . . 4081 1 220 . 1 1 18 18 LEU N N 15 117.97 0.15 . 1 . . . . . . . . 4081 1 221 . 1 1 19 19 ALA H H 1 7.93 0.03 . 1 . . . . . . . . 4081 1 222 . 1 1 19 19 ALA HA H 1 3.89 0.03 . 1 . . . . . . . . 4081 1 223 . 1 1 19 19 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 4081 1 224 . 1 1 19 19 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 4081 1 225 . 1 1 19 19 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 4081 1 226 . 1 1 19 19 ALA C C 13 180.75 0.12 . 1 . . . . . . . . 4081 1 227 . 1 1 19 19 ALA CA C 13 55.37 0.12 . 1 . . . . . . . . 4081 1 228 . 1 1 19 19 ALA CB C 13 18.07 0.12 . 1 . . . . . . . . 4081 1 229 . 1 1 19 19 ALA N N 15 121.60 0.15 . 1 . . . . . . . . 4081 1 230 . 1 1 20 20 GLN H H 1 7.99 0.03 . 1 . . . . . . . . 4081 1 231 . 1 1 20 20 GLN HA H 1 3.94 0.03 . 1 . . . . . . . . 4081 1 232 . 1 1 20 20 GLN HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4081 1 233 . 1 1 20 20 GLN HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4081 1 234 . 1 1 20 20 GLN HG2 H 1 2.58 0.03 . 2 . . . . . . . . 4081 1 235 . 1 1 20 20 GLN HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 236 . 1 1 20 20 GLN C C 13 177.03 0.12 . 1 . . . . . . . . 4081 1 237 . 1 1 20 20 GLN CA C 13 58.06 0.12 . 1 . . . . . . . . 4081 1 238 . 1 1 20 20 GLN CB C 13 29.11 0.12 . 1 . . . . . . . . 4081 1 239 . 1 1 20 20 GLN CG C 13 34.50 0.12 . 1 . . . . . . . . 4081 1 240 . 1 1 20 20 GLN N N 15 118.34 0.15 . 1 . . . . . . . . 4081 1 241 . 1 1 21 21 MET H H 1 7.45 0.03 . 1 . . . . . . . . 4081 1 242 . 1 1 21 21 MET HA H 1 3.89 0.03 . 1 . . . . . . . . 4081 1 243 . 1 1 21 21 MET HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4081 1 244 . 1 1 21 21 MET HB3 H 1 1.56 0.03 . 2 . . . . . . . . 4081 1 245 . 1 1 21 21 MET HG2 H 1 2.11 0.03 . 2 . . . . . . . . 4081 1 246 . 1 1 21 21 MET HG3 H 1 2.11 0.03 . 2 . . . . . . . . 4081 1 247 . 1 1 21 21 MET HE1 H 1 0.42 0.03 . 1 . . . . . . . . 4081 1 248 . 1 1 21 21 MET HE2 H 1 0.42 0.03 . 1 . . . . . . . . 4081 1 249 . 1 1 21 21 MET HE3 H 1 0.42 0.03 . 1 . . . . . . . . 4081 1 250 . 1 1 21 21 MET C C 13 174.77 0.12 . 1 . . . . . . . . 4081 1 251 . 1 1 21 21 MET CA C 13 57.26 0.12 . 1 . . . . . . . . 4081 1 252 . 1 1 21 21 MET CB C 13 34.16 0.12 . 1 . . . . . . . . 4081 1 253 . 1 1 21 21 MET CG C 13 32.92 0.12 . 1 . . . . . . . . 4081 1 254 . 1 1 21 21 MET CE C 13 15.31 0.12 . 1 . . . . . . . . 4081 1 255 . 1 1 21 21 MET N N 15 116.41 0.15 . 1 . . . . . . . . 4081 1 256 . 1 1 22 22 ARG H H 1 6.49 0.03 . 1 . . . . . . . . 4081 1 257 . 1 1 22 22 ARG HA H 1 3.87 0.03 . 1 . . . . . . . . 4081 1 258 . 1 1 22 22 ARG HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4081 1 259 . 1 1 22 22 ARG HB3 H 1 1.44 0.03 . 2 . . . . . . . . 4081 1 260 . 1 1 22 22 ARG HG2 H 1 2.10 0.03 . 2 . . . . . . . . 4081 1 261 . 1 1 22 22 ARG HG3 H 1 1.44 0.03 . 2 . . . . . . . . 4081 1 262 . 1 1 22 22 ARG HD2 H 1 3.36 0.03 . 2 . . . . . . . . 4081 1 263 . 1 1 22 22 ARG HD3 H 1 3.07 0.03 . 2 . . . . . . . . 4081 1 264 . 1 1 22 22 ARG C C 13 176.02 0.12 . 1 . . . . . . . . 4081 1 265 . 1 1 22 22 ARG CA C 13 58.94 0.12 . 1 . . . . . . . . 4081 1 266 . 1 1 22 22 ARG CB C 13 31.86 0.12 . 1 . . . . . . . . 4081 1 267 . 1 1 22 22 ARG CG C 13 27.05 0.12 . 1 . . . . . . . . 4081 1 268 . 1 1 22 22 ARG CD C 13 44.07 0.12 . 1 . . . . . . . . 4081 1 269 . 1 1 22 22 ARG N N 15 115.06 0.15 . 1 . . . . . . . . 4081 1 270 . 1 1 23 23 LYS H H 1 10.24 0.03 . 1 . . . . . . . . 4081 1 271 . 1 1 23 23 LYS HA H 1 4.54 0.03 . 1 . . . . . . . . 4081 1 272 . 1 1 23 23 LYS HB2 H 1 1.94 0.03 . 2 . . . . . . . . 4081 1 273 . 1 1 23 23 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 274 . 1 1 23 23 LYS HG2 H 1 1.54 0.03 . 2 . . . . . . . . 4081 1 275 . 1 1 23 23 LYS HG3 H 1 2.02 0.03 . 2 . . . . . . . . 4081 1 276 . 1 1 23 23 LYS HD2 H 1 1.69 0.03 . 2 . . . . . . . . 4081 1 277 . 1 1 23 23 LYS HD3 H 1 1.80 0.03 . 2 . . . . . . . . 4081 1 278 . 1 1 23 23 LYS HE2 H 1 3.06 0.03 . 2 . . . . . . . . 4081 1 279 . 1 1 23 23 LYS HE3 H 1 3.06 0.03 . 2 . . . . . . . . 4081 1 280 . 1 1 23 23 LYS C C 13 176.75 0.12 . 1 . . . . . . . . 4081 1 281 . 1 1 23 23 LYS CA C 13 57.49 0.12 . 1 . . . . . . . . 4081 1 282 . 1 1 23 23 LYS CB C 13 36.37 0.12 . 1 . . . . . . . . 4081 1 283 . 1 1 23 23 LYS CG C 13 25.37 0.12 . 1 . . . . . . . . 4081 1 284 . 1 1 23 23 LYS CD C 13 29.84 0.12 . 1 . . . . . . . . 4081 1 285 . 1 1 23 23 LYS CE C 13 41.95 0.12 . 1 . . . . . . . . 4081 1 286 . 1 1 23 23 LYS N N 15 128.26 0.15 . 1 . . . . . . . . 4081 1 287 . 1 1 24 24 ILE H H 1 8.49 0.03 . 1 . . . . . . . . 4081 1 288 . 1 1 24 24 ILE HA H 1 4.57 0.03 . 1 . . . . . . . . 4081 1 289 . 1 1 24 24 ILE HB H 1 1.90 0.03 . 1 . . . . . . . . 4081 1 290 . 1 1 24 24 ILE HG12 H 1 1.26 0.03 . 2 . . . . . . . . 4081 1 291 . 1 1 24 24 ILE HG13 H 1 1.22 0.03 . 2 . . . . . . . . 4081 1 292 . 1 1 24 24 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 293 . 1 1 24 24 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 294 . 1 1 24 24 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 295 . 1 1 24 24 ILE HD11 H 1 0.74 0.03 . 1 . . . . . . . . 4081 1 296 . 1 1 24 24 ILE HD12 H 1 0.74 0.03 . 1 . . . . . . . . 4081 1 297 . 1 1 24 24 ILE HD13 H 1 0.74 0.03 . 1 . . . . . . . . 4081 1 298 . 1 1 24 24 ILE C C 13 173.90 0.12 . 1 . . . . . . . . 4081 1 299 . 1 1 24 24 ILE CA C 13 59.73 0.12 . 1 . . . . . . . . 4081 1 300 . 1 1 24 24 ILE CB C 13 41.49 0.12 . 1 . . . . . . . . 4081 1 301 . 1 1 24 24 ILE CG1 C 13 26.57 0.12 . 1 . . . . . . . . 4081 1 302 . 1 1 24 24 ILE CG2 C 13 17.61 0.12 . 1 . . . . . . . . 4081 1 303 . 1 1 24 24 ILE CD1 C 13 14.56 0.12 . 1 . . . . . . . . 4081 1 304 . 1 1 24 24 ILE N N 15 118.35 0.15 . 1 . . . . . . . . 4081 1 305 . 1 1 25 25 SER H H 1 8.10 0.03 . 1 . . . . . . . . 4081 1 306 . 1 1 25 25 SER HA H 1 4.55 0.03 . 1 . . . . . . . . 4081 1 307 . 1 1 25 25 SER HB2 H 1 3.91 0.03 . 2 . . . . . . . . 4081 1 308 . 1 1 25 25 SER HB3 H 1 3.78 0.03 . 2 . . . . . . . . 4081 1 309 . 1 1 25 25 SER C C 13 176.55 0.12 . 1 . . . . . . . . 4081 1 310 . 1 1 25 25 SER CA C 13 56.62 0.12 . 1 . . . . . . . . 4081 1 311 . 1 1 25 25 SER CB C 13 64.28 0.12 . 1 . . . . . . . . 4081 1 312 . 1 1 25 25 SER N N 15 113.20 0.15 . 1 . . . . . . . . 4081 1 313 . 1 1 26 26 LEU H H 1 8.81 0.03 . 1 . . . . . . . . 4081 1 314 . 1 1 26 26 LEU HA H 1 3.89 0.03 . 1 . . . . . . . . 4081 1 315 . 1 1 26 26 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 4081 1 316 . 1 1 26 26 LEU HB3 H 1 1.42 0.03 . 2 . . . . . . . . 4081 1 317 . 1 1 26 26 LEU HG H 1 1.65 0.03 . 1 . . . . . . . . 4081 1 318 . 1 1 26 26 LEU HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 319 . 1 1 26 26 LEU HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 320 . 1 1 26 26 LEU HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 321 . 1 1 26 26 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 322 . 1 1 26 26 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 323 . 1 1 26 26 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 324 . 1 1 26 26 LEU C C 13 178.99 0.12 . 1 . . . . . . . . 4081 1 325 . 1 1 26 26 LEU CA C 13 57.50 0.12 . 1 . . . . . . . . 4081 1 326 . 1 1 26 26 LEU CB C 13 41.93 0.12 . 1 . . . . . . . . 4081 1 327 . 1 1 26 26 LEU CG C 13 27.08 0.12 . 1 . . . . . . . . 4081 1 328 . 1 1 26 26 LEU CD1 C 13 24.92 0.12 . 1 . . . . . . . . 4081 1 329 . 1 1 26 26 LEU CD2 C 13 25.13 0.12 . 1 . . . . . . . . 4081 1 330 . 1 1 26 26 LEU N N 15 127.35 0.15 . 1 . . . . . . . . 4081 1 331 . 1 1 27 27 PHE H H 1 7.99 0.03 . 1 . . . . . . . . 4081 1 332 . 1 1 27 27 PHE HA H 1 4.28 0.03 . 1 . . . . . . . . 4081 1 333 . 1 1 27 27 PHE HB2 H 1 3.19 0.03 . 2 . . . . . . . . 4081 1 334 . 1 1 27 27 PHE HB3 H 1 3.08 0.03 . 2 . . . . . . . . 4081 1 335 . 1 1 27 27 PHE HD1 H 1 7.25 0.03 . 3 . . . . . . . . 4081 1 336 . 1 1 27 27 PHE HD2 H 1 7.25 0.03 . 3 . . . . . . . . 4081 1 337 . 1 1 27 27 PHE HE1 H 1 7.36 0.03 . 3 . . . . . . . . 4081 1 338 . 1 1 27 27 PHE HE2 H 1 7.36 0.03 . 3 . . . . . . . . 4081 1 339 . 1 1 27 27 PHE HZ H 1 7.32 0.03 . 1 . . . . . . . . 4081 1 340 . 1 1 27 27 PHE C C 13 177.14 0.12 . 1 . . . . . . . . 4081 1 341 . 1 1 27 27 PHE CA C 13 60.01 0.12 . 1 . . . . . . . . 4081 1 342 . 1 1 27 27 PHE CB C 13 38.16 0.12 . 1 . . . . . . . . 4081 1 343 . 1 1 27 27 PHE N N 15 116.68 0.15 . 1 . . . . . . . . 4081 1 344 . 1 1 28 28 SER H H 1 7.94 0.03 . 1 . . . . . . . . 4081 1 345 . 1 1 28 28 SER HA H 1 4.57 0.03 . 1 . . . . . . . . 4081 1 346 . 1 1 28 28 SER HB2 H 1 4.04 0.03 . 2 . . . . . . . . 4081 1 347 . 1 1 28 28 SER HB3 H 1 4.10 0.03 . 2 . . . . . . . . 4081 1 348 . 1 1 28 28 SER C C 13 174.58 0.12 . 1 . . . . . . . . 4081 1 349 . 1 1 28 28 SER CA C 13 59.39 0.12 . 1 . . . . . . . . 4081 1 350 . 1 1 28 28 SER CB C 13 63.58 0.12 . 1 . . . . . . . . 4081 1 351 . 1 1 28 28 SER N N 15 114.92 0.15 . 1 . . . . . . . . 4081 1 352 . 1 1 29 29 CYS H H 1 7.87 0.03 . 1 . . . . . . . . 4081 1 353 . 1 1 29 29 CYS HA H 1 5.12 0.03 . 1 . . . . . . . . 4081 1 354 . 1 1 29 29 CYS HB2 H 1 2.62 0.03 . 1 . . . . . . . . 4081 1 355 . 1 1 29 29 CYS HB3 H 1 3.46 0.03 . 1 . . . . . . . . 4081 1 356 . 1 1 29 29 CYS C C 13 176.58 0.12 . 1 . . . . . . . . 4081 1 357 . 1 1 29 29 CYS CA C 13 53.46 0.12 . 1 . . . . . . . . 4081 1 358 . 1 1 29 29 CYS CB C 13 37.19 0.12 . 1 . . . . . . . . 4081 1 359 . 1 1 29 29 CYS N N 15 119.70 0.15 . 1 . . . . . . . . 4081 1 360 . 1 1 30 30 LEU H H 1 7.81 0.03 . 1 . . . . . . . . 4081 1 361 . 1 1 30 30 LEU HA H 1 3.97 0.03 . 1 . . . . . . . . 4081 1 362 . 1 1 30 30 LEU HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4081 1 363 . 1 1 30 30 LEU HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4081 1 364 . 1 1 30 30 LEU HG H 1 1.77 0.03 . 1 . . . . . . . . 4081 1 365 . 1 1 30 30 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 366 . 1 1 30 30 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 367 . 1 1 30 30 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 368 . 1 1 30 30 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 369 . 1 1 30 30 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 370 . 1 1 30 30 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 371 . 1 1 30 30 LEU C C 13 179.88 0.12 . 1 . . . . . . . . 4081 1 372 . 1 1 30 30 LEU CA C 13 58.28 0.12 . 1 . . . . . . . . 4081 1 373 . 1 1 30 30 LEU CB C 13 41.63 0.12 . 1 . . . . . . . . 4081 1 374 . 1 1 30 30 LEU CG C 13 24.95 0.12 . 1 . . . . . . . . 4081 1 375 . 1 1 30 30 LEU CD1 C 13 24.97 0.12 . 1 . . . . . . . . 4081 1 376 . 1 1 30 30 LEU CD2 C 13 23.44 0.12 . 1 . . . . . . . . 4081 1 377 . 1 1 30 30 LEU N N 15 121.86 0.15 . 1 . . . . . . . . 4081 1 378 . 1 1 31 31 LYS H H 1 8.59 0.03 . 1 . . . . . . . . 4081 1 379 . 1 1 31 31 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4081 1 380 . 1 1 31 31 LYS HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4081 1 381 . 1 1 31 31 LYS HB3 H 1 1.78 0.03 . 2 . . . . . . . . 4081 1 382 . 1 1 31 31 LYS HG2 H 1 1.38 0.03 . 2 . . . . . . . . 4081 1 383 . 1 1 31 31 LYS HG3 H 1 1.38 0.03 . 2 . . . . . . . . 4081 1 384 . 1 1 31 31 LYS HD2 H 1 1.36 0.03 . 2 . . . . . . . . 4081 1 385 . 1 1 31 31 LYS HD3 H 1 1.36 0.03 . 2 . . . . . . . . 4081 1 386 . 1 1 31 31 LYS HE2 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 387 . 1 1 31 31 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 388 . 1 1 31 31 LYS C C 13 176.81 0.12 . 1 . . . . . . . . 4081 1 389 . 1 1 31 31 LYS CA C 13 58.01 0.12 . 1 . . . . . . . . 4081 1 390 . 1 1 31 31 LYS CB C 13 31.76 0.12 . 1 . . . . . . . . 4081 1 391 . 1 1 31 31 LYS CG C 13 24.78 0.12 . 1 . . . . . . . . 4081 1 392 . 1 1 31 31 LYS CD C 13 28.94 0.12 . 1 . . . . . . . . 4081 1 393 . 1 1 31 31 LYS CE C 13 42.46 0.12 . 1 . . . . . . . . 4081 1 394 . 1 1 31 31 LYS N N 15 117.38 0.15 . 1 . . . . . . . . 4081 1 395 . 1 1 32 32 ASP H H 1 7.80 0.03 . 1 . . . . . . . . 4081 1 396 . 1 1 32 32 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 4081 1 397 . 1 1 32 32 ASP HB2 H 1 2.38 0.03 . 1 . . . . . . . . 4081 1 398 . 1 1 32 32 ASP HB3 H 1 2.80 0.03 . 1 . . . . . . . . 4081 1 399 . 1 1 32 32 ASP C C 13 175.64 0.12 . 1 . . . . . . . . 4081 1 400 . 1 1 32 32 ASP CA C 13 54.44 0.12 . 1 . . . . . . . . 4081 1 401 . 1 1 32 32 ASP CB C 13 42.27 0.12 . 1 . . . . . . . . 4081 1 402 . 1 1 32 32 ASP CG C 13 175.64 0.12 . 1 . . . . . . . . 4081 1 403 . 1 1 32 32 ASP N N 15 117.51 0.15 . 1 . . . . . . . . 4081 1 404 . 1 1 33 33 ARG H H 1 7.38 0.03 . 1 . . . . . . . . 4081 1 405 . 1 1 33 33 ARG HA H 1 4.04 0.03 . 1 . . . . . . . . 4081 1 406 . 1 1 33 33 ARG HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4081 1 407 . 1 1 33 33 ARG HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4081 1 408 . 1 1 33 33 ARG HG2 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 409 . 1 1 33 33 ARG HG3 H 1 1.71 0.03 . 2 . . . . . . . . 4081 1 410 . 1 1 33 33 ARG HD2 H 1 3.14 0.03 . 2 . . . . . . . . 4081 1 411 . 1 1 33 33 ARG HD3 H 1 3.14 0.03 . 2 . . . . . . . . 4081 1 412 . 1 1 33 33 ARG C C 13 175.35 0.12 . 1 . . . . . . . . 4081 1 413 . 1 1 33 33 ARG CA C 13 57.89 0.12 . 1 . . . . . . . . 4081 1 414 . 1 1 33 33 ARG CB C 13 30.24 0.12 . 1 . . . . . . . . 4081 1 415 . 1 1 33 33 ARG CG C 13 26.99 0.12 . 1 . . . . . . . . 4081 1 416 . 1 1 33 33 ARG CD C 13 43.39 0.12 . 1 . . . . . . . . 4081 1 417 . 1 1 33 33 ARG N N 15 120.46 0.15 . 1 . . . . . . . . 4081 1 418 . 1 1 34 34 HIS H H 1 7.94 0.03 . 1 . . . . . . . . 4081 1 419 . 1 1 34 34 HIS HA H 1 4.25 0.03 . 1 . . . . . . . . 4081 1 420 . 1 1 34 34 HIS HB2 H 1 2.68 0.03 . 2 . . . . . . . . 4081 1 421 . 1 1 34 34 HIS HB3 H 1 2.68 0.03 . 2 . . . . . . . . 4081 1 422 . 1 1 34 34 HIS HD2 H 1 7.38 0.03 . 1 . . . . . . . . 4081 1 423 . 1 1 34 34 HIS HE1 H 1 8.62 0.03 . 1 . . . . . . . . 4081 1 424 . 1 1 34 34 HIS C C 13 170.60 0.12 . 1 . . . . . . . . 4081 1 425 . 1 1 34 34 HIS CA C 13 55.23 0.12 . 1 . . . . . . . . 4081 1 426 . 1 1 34 34 HIS CB C 13 31.74 0.12 . 1 . . . . . . . . 4081 1 427 . 1 1 34 34 HIS CD2 C 13 120.20 0.12 . 1 . . . . . . . . 4081 1 428 . 1 1 34 34 HIS N N 15 120.28 0.15 . 1 . . . . . . . . 4081 1 429 . 1 1 35 35 ASP H H 1 7.79 0.03 . 1 . . . . . . . . 4081 1 430 . 1 1 35 35 ASP HA H 1 4.70 0.03 . 1 . . . . . . . . 4081 1 431 . 1 1 35 35 ASP HB2 H 1 2.31 0.03 . 1 . . . . . . . . 4081 1 432 . 1 1 35 35 ASP HB3 H 1 2.52 0.03 . 1 . . . . . . . . 4081 1 433 . 1 1 35 35 ASP C C 13 176.06 0.12 . 1 . . . . . . . . 4081 1 434 . 1 1 35 35 ASP CA C 13 52.56 0.12 . 1 . . . . . . . . 4081 1 435 . 1 1 35 35 ASP CB C 13 41.43 0.12 . 1 . . . . . . . . 4081 1 436 . 1 1 35 35 ASP N N 15 124.76 0.15 . 1 . . . . . . . . 4081 1 437 . 1 1 36 36 PHE H H 1 8.94 0.03 . 1 . . . . . . . . 4081 1 438 . 1 1 36 36 PHE HA H 1 4.38 0.03 . 1 . . . . . . . . 4081 1 439 . 1 1 36 36 PHE HB2 H 1 2.79 0.03 . 1 . . . . . . . . 4081 1 440 . 1 1 36 36 PHE HB3 H 1 3.30 0.03 . 1 . . . . . . . . 4081 1 441 . 1 1 36 36 PHE HD1 H 1 6.98 0.03 . 3 . . . . . . . . 4081 1 442 . 1 1 36 36 PHE HD2 H 1 6.98 0.03 . 3 . . . . . . . . 4081 1 443 . 1 1 36 36 PHE HE1 H 1 6.80 0.03 . 3 . . . . . . . . 4081 1 444 . 1 1 36 36 PHE HE2 H 1 6.80 0.03 . 3 . . . . . . . . 4081 1 445 . 1 1 36 36 PHE HZ H 1 5.66 0.03 . 1 . . . . . . . . 4081 1 446 . 1 1 36 36 PHE C C 13 176.75 0.12 . 1 . . . . . . . . 4081 1 447 . 1 1 36 36 PHE CA C 13 59.53 0.12 . 1 . . . . . . . . 4081 1 448 . 1 1 36 36 PHE CB C 13 40.96 0.12 . 1 . . . . . . . . 4081 1 449 . 1 1 36 36 PHE CD1 C 13 132.50 0.12 . 3 . . . . . . . . 4081 1 450 . 1 1 36 36 PHE CD2 C 13 132.50 0.12 . 3 . . . . . . . . 4081 1 451 . 1 1 36 36 PHE CE1 C 13 131.00 0.12 . 3 . . . . . . . . 4081 1 452 . 1 1 36 36 PHE CE2 C 13 131.00 0.12 . 3 . . . . . . . . 4081 1 453 . 1 1 36 36 PHE CZ C 13 129.55 0.12 . 1 . . . . . . . . 4081 1 454 . 1 1 36 36 PHE N N 15 122.45 0.15 . 1 . . . . . . . . 4081 1 455 . 1 1 37 37 GLY H H 1 8.76 0.03 . 1 . . . . . . . . 4081 1 456 . 1 1 37 37 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 4081 1 457 . 1 1 37 37 GLY HA3 H 1 3.71 0.03 . 2 . . . . . . . . 4081 1 458 . 1 1 37 37 GLY C C 13 175.24 0.12 . 1 . . . . . . . . 4081 1 459 . 1 1 37 37 GLY CA C 13 48.31 0.12 . 1 . . . . . . . . 4081 1 460 . 1 1 37 37 GLY N N 15 111.47 0.15 . 1 . . . . . . . . 4081 1 461 . 1 1 38 38 PHE H H 1 9.18 0.03 . 1 . . . . . . . . 4081 1 462 . 1 1 38 38 PHE HA H 1 3.93 0.03 . 1 . . . . . . . . 4081 1 463 . 1 1 38 38 PHE HB2 H 1 2.94 0.03 . 1 . . . . . . . . 4081 1 464 . 1 1 38 38 PHE HB3 H 1 2.72 0.03 . 1 . . . . . . . . 4081 1 465 . 1 1 38 38 PHE HD1 H 1 6.17 0.03 . 3 . . . . . . . . 4081 1 466 . 1 1 38 38 PHE HD2 H 1 6.17 0.03 . 3 . . . . . . . . 4081 1 467 . 1 1 38 38 PHE HE1 H 1 6.88 0.03 . 3 . . . . . . . . 4081 1 468 . 1 1 38 38 PHE HE2 H 1 6.88 0.03 . 3 . . . . . . . . 4081 1 469 . 1 1 38 38 PHE HZ H 1 6.68 0.03 . 1 . . . . . . . . 4081 1 470 . 1 1 38 38 PHE CA C 13 55.82 0.12 . 1 . . . . . . . . 4081 1 471 . 1 1 38 38 PHE CB C 13 38.82 0.12 . 1 . . . . . . . . 4081 1 472 . 1 1 38 38 PHE CD1 C 13 131.75 0.12 . 3 . . . . . . . . 4081 1 473 . 1 1 38 38 PHE CD2 C 13 131.75 0.12 . 3 . . . . . . . . 4081 1 474 . 1 1 38 38 PHE CE1 C 13 130.55 0.12 . 3 . . . . . . . . 4081 1 475 . 1 1 38 38 PHE CE2 C 13 130.55 0.12 . 3 . . . . . . . . 4081 1 476 . 1 1 38 38 PHE N N 15 122.81 0.15 . 1 . . . . . . . . 4081 1 477 . 1 1 39 39 PRO HA H 1 4.62 0.03 . 1 . . . . . . . . 4081 1 478 . 1 1 39 39 PRO HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4081 1 479 . 1 1 39 39 PRO HB3 H 1 2.03 0.03 . 2 . . . . . . . . 4081 1 480 . 1 1 39 39 PRO HG2 H 1 1.28 0.03 . 2 . . . . . . . . 4081 1 481 . 1 1 39 39 PRO HG3 H 1 1.54 0.03 . 2 . . . . . . . . 4081 1 482 . 1 1 39 39 PRO HD2 H 1 3.36 0.03 . 1 . . . . . . . . 4081 1 483 . 1 1 39 39 PRO HD3 H 1 2.62 0.03 . 1 . . . . . . . . 4081 1 484 . 1 1 39 39 PRO C C 13 174.79 0.12 . 1 . . . . . . . . 4081 1 485 . 1 1 39 39 PRO CA C 13 61.89 0.12 . 1 . . . . . . . . 4081 1 486 . 1 1 39 39 PRO CB C 13 28.59 0.12 . 1 . . . . . . . . 4081 1 487 . 1 1 39 39 PRO CD C 13 50.90 0.12 . 1 . . . . . . . . 4081 1 488 . 1 1 40 40 GLN H H 1 7.97 0.03 . 1 . . . . . . . . 4081 1 489 . 1 1 40 40 GLN HA H 1 3.64 0.03 . 1 . . . . . . . . 4081 1 490 . 1 1 40 40 GLN HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4081 1 491 . 1 1 40 40 GLN HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4081 1 492 . 1 1 40 40 GLN HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 493 . 1 1 40 40 GLN HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 494 . 1 1 40 40 GLN HE21 H 1 6.79 0.03 . 2 . . . . . . . . 4081 1 495 . 1 1 40 40 GLN HE22 H 1 7.58 0.03 . 2 . . . . . . . . 4081 1 496 . 1 1 40 40 GLN C C 13 177.07 0.12 . 1 . . . . . . . . 4081 1 497 . 1 1 40 40 GLN CA C 13 58.20 0.12 . 1 . . . . . . . . 4081 1 498 . 1 1 40 40 GLN CB C 13 28.97 0.12 . 1 . . . . . . . . 4081 1 499 . 1 1 40 40 GLN CG C 13 33.06 0.12 . 1 . . . . . . . . 4081 1 500 . 1 1 40 40 GLN N N 15 123.38 0.15 . 1 . . . . . . . . 4081 1 501 . 1 1 40 40 GLN NE2 N 15 111.19 0.15 . 1 . . . . . . . . 4081 1 502 . 1 1 41 41 GLU H H 1 9.12 0.03 . 1 . . . . . . . . 4081 1 503 . 1 1 41 41 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4081 1 504 . 1 1 41 41 GLU HB2 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 505 . 1 1 41 41 GLU HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4081 1 506 . 1 1 41 41 GLU HG2 H 1 2.20 0.03 . 2 . . . . . . . . 4081 1 507 . 1 1 41 41 GLU HG3 H 1 2.20 0.03 . 2 . . . . . . . . 4081 1 508 . 1 1 41 41 GLU C C 13 177.48 0.12 . 1 . . . . . . . . 4081 1 509 . 1 1 41 41 GLU CA C 13 58.00 0.12 . 1 . . . . . . . . 4081 1 510 . 1 1 41 41 GLU CB C 13 27.76 0.12 . 1 . . . . . . . . 4081 1 511 . 1 1 41 41 GLU CG C 13 34.30 0.12 . 1 . . . . . . . . 4081 1 512 . 1 1 41 41 GLU N N 15 119.22 0.15 . 1 . . . . . . . . 4081 1 513 . 1 1 42 42 GLU H H 1 7.68 0.03 . 1 . . . . . . . . 4081 1 514 . 1 1 42 42 GLU HA H 1 4.10 0.03 . 1 . . . . . . . . 4081 1 515 . 1 1 42 42 GLU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4081 1 516 . 1 1 42 42 GLU HB3 H 1 1.49 0.03 . 2 . . . . . . . . 4081 1 517 . 1 1 42 42 GLU HG2 H 1 2.14 0.03 . 2 . . . . . . . . 4081 1 518 . 1 1 42 42 GLU HG3 H 1 2.29 0.03 . 2 . . . . . . . . 4081 1 519 . 1 1 42 42 GLU C C 13 175.13 0.12 . 1 . . . . . . . . 4081 1 520 . 1 1 42 42 GLU CA C 13 56.28 0.12 . 1 . . . . . . . . 4081 1 521 . 1 1 42 42 GLU CB C 13 27.73 0.12 . 1 . . . . . . . . 4081 1 522 . 1 1 42 42 GLU CG C 13 33.02 0.12 . 1 . . . . . . . . 4081 1 523 . 1 1 42 42 GLU N N 15 116.97 0.15 . 1 . . . . . . . . 4081 1 524 . 1 1 43 43 PHE H H 1 7.60 0.03 . 1 . . . . . . . . 4081 1 525 . 1 1 43 43 PHE HA H 1 4.51 0.03 . 1 . . . . . . . . 4081 1 526 . 1 1 43 43 PHE HB2 H 1 2.75 0.03 . 1 . . . . . . . . 4081 1 527 . 1 1 43 43 PHE HB3 H 1 3.35 0.03 . 1 . . . . . . . . 4081 1 528 . 1 1 43 43 PHE HD1 H 1 7.11 0.03 . 3 . . . . . . . . 4081 1 529 . 1 1 43 43 PHE HD2 H 1 7.11 0.03 . 3 . . . . . . . . 4081 1 530 . 1 1 43 43 PHE HE1 H 1 6.97 0.03 . 3 . . . . . . . . 4081 1 531 . 1 1 43 43 PHE HE2 H 1 6.97 0.03 . 3 . . . . . . . . 4081 1 532 . 1 1 43 43 PHE HZ H 1 7.08 0.03 . 1 . . . . . . . . 4081 1 533 . 1 1 43 43 PHE C C 13 175.73 0.12 . 1 . . . . . . . . 4081 1 534 . 1 1 43 43 PHE CA C 13 57.48 0.12 . 1 . . . . . . . . 4081 1 535 . 1 1 43 43 PHE CB C 13 39.87 0.12 . 1 . . . . . . . . 4081 1 536 . 1 1 43 43 PHE CD1 C 13 132.20 0.12 . 3 . . . . . . . . 4081 1 537 . 1 1 43 43 PHE CD2 C 13 132.20 0.12 . 3 . . . . . . . . 4081 1 538 . 1 1 43 43 PHE CZ C 13 129.20 0.12 . 1 . . . . . . . . 4081 1 539 . 1 1 43 43 PHE N N 15 115.34 0.15 . 1 . . . . . . . . 4081 1 540 . 1 1 44 44 GLY H H 1 7.78 0.03 . 1 . . . . . . . . 4081 1 541 . 1 1 44 44 GLY HA2 H 1 4.04 0.03 . 2 . . . . . . . . 4081 1 542 . 1 1 44 44 GLY HA3 H 1 3.99 0.03 . 2 . . . . . . . . 4081 1 543 . 1 1 44 44 GLY C C 13 174.12 0.12 . 1 . . . . . . . . 4081 1 544 . 1 1 44 44 GLY CA C 13 45.61 0.12 . 1 . . . . . . . . 4081 1 545 . 1 1 44 44 GLY N N 15 107.00 0.15 . 1 . . . . . . . . 4081 1 546 . 1 1 45 45 ASN H H 1 8.35 0.03 . 1 . . . . . . . . 4081 1 547 . 1 1 45 45 ASN HA H 1 4.59 0.03 . 1 . . . . . . . . 4081 1 548 . 1 1 45 45 ASN HB2 H 1 2.82 0.03 . 2 . . . . . . . . 4081 1 549 . 1 1 45 45 ASN HB3 H 1 2.82 0.03 . 2 . . . . . . . . 4081 1 550 . 1 1 45 45 ASN HD21 H 1 7.56 0.03 . 2 . . . . . . . . 4081 1 551 . 1 1 45 45 ASN HD22 H 1 6.91 0.03 . 2 . . . . . . . . 4081 1 552 . 1 1 45 45 ASN C C 13 175.89 0.12 . 1 . . . . . . . . 4081 1 553 . 1 1 45 45 ASN CA C 13 54.04 0.12 . 1 . . . . . . . . 4081 1 554 . 1 1 45 45 ASN CB C 13 38.68 0.12 . 1 . . . . . . . . 4081 1 555 . 1 1 45 45 ASN N N 15 117.58 0.15 . 1 . . . . . . . . 4081 1 556 . 1 1 45 45 ASN ND2 N 15 112.14 0.15 . 1 . . . . . . . . 4081 1 557 . 1 1 46 46 GLN H H 1 8.61 0.03 . 1 . . . . . . . . 4081 1 558 . 1 1 46 46 GLN HA H 1 4.14 0.03 . 1 . . . . . . . . 4081 1 559 . 1 1 46 46 GLN HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4081 1 560 . 1 1 46 46 GLN HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4081 1 561 . 1 1 46 46 GLN HG2 H 1 1.95 0.03 . 2 . . . . . . . . 4081 1 562 . 1 1 46 46 GLN HG3 H 1 1.95 0.03 . 2 . . . . . . . . 4081 1 563 . 1 1 46 46 GLN HE21 H 1 6.78 0.03 . 2 . . . . . . . . 4081 1 564 . 1 1 46 46 GLN HE22 H 1 7.27 0.03 . 2 . . . . . . . . 4081 1 565 . 1 1 46 46 GLN C C 13 175.93 0.12 . 1 . . . . . . . . 4081 1 566 . 1 1 46 46 GLN CA C 13 56.77 0.12 . 1 . . . . . . . . 4081 1 567 . 1 1 46 46 GLN CB C 13 28.35 0.12 . 1 . . . . . . . . 4081 1 568 . 1 1 46 46 GLN CG C 13 33.20 0.12 . 1 . . . . . . . . 4081 1 569 . 1 1 46 46 GLN N N 15 118.79 0.15 . 1 . . . . . . . . 4081 1 570 . 1 1 46 46 GLN NE2 N 15 111.84 0.15 . 1 . . . . . . . . 4081 1 571 . 1 1 47 47 PHE H H 1 7.93 0.03 . 1 . . . . . . . . 4081 1 572 . 1 1 47 47 PHE HA H 1 4.59 0.03 . 1 . . . . . . . . 4081 1 573 . 1 1 47 47 PHE HB2 H 1 2.92 0.03 . 1 . . . . . . . . 4081 1 574 . 1 1 47 47 PHE HB3 H 1 3.16 0.03 . 1 . . . . . . . . 4081 1 575 . 1 1 47 47 PHE HD1 H 1 7.19 0.03 . 3 . . . . . . . . 4081 1 576 . 1 1 47 47 PHE HD2 H 1 7.19 0.03 . 3 . . . . . . . . 4081 1 577 . 1 1 47 47 PHE HE1 H 1 7.26 0.03 . 3 . . . . . . . . 4081 1 578 . 1 1 47 47 PHE HE2 H 1 7.26 0.03 . 3 . . . . . . . . 4081 1 579 . 1 1 47 47 PHE HZ H 1 7.30 0.03 . 1 . . . . . . . . 4081 1 580 . 1 1 47 47 PHE C C 13 175.95 0.12 . 1 . . . . . . . . 4081 1 581 . 1 1 47 47 PHE CA C 13 57.87 0.12 . 1 . . . . . . . . 4081 1 582 . 1 1 47 47 PHE CB C 13 39.62 0.12 . 1 . . . . . . . . 4081 1 583 . 1 1 47 47 PHE CD1 C 13 132.10 0.12 . 3 . . . . . . . . 4081 1 584 . 1 1 47 47 PHE CD2 C 13 132.10 0.12 . 3 . . . . . . . . 4081 1 585 . 1 1 47 47 PHE CE1 C 13 130.20 0.12 . 3 . . . . . . . . 4081 1 586 . 1 1 47 47 PHE CE2 C 13 130.20 0.12 . 3 . . . . . . . . 4081 1 587 . 1 1 47 47 PHE N N 15 119.24 0.15 . 3 . . . . . . . . 4081 1 588 . 1 1 48 48 GLN H H 1 8.29 0.03 . 1 . . . . . . . . 4081 1 589 . 1 1 48 48 GLN HA H 1 4.36 0.03 . 1 . . . . . . . . 4081 1 590 . 1 1 48 48 GLN HB2 H 1 2.21 0.03 . 2 . . . . . . . . 4081 1 591 . 1 1 48 48 GLN HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4081 1 592 . 1 1 48 48 GLN HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 593 . 1 1 48 48 GLN HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 594 . 1 1 48 48 GLN HE21 H 1 6.84 0.03 . 2 . . . . . . . . 4081 1 595 . 1 1 48 48 GLN HE22 H 1 7.51 0.03 . 2 . . . . . . . . 4081 1 596 . 1 1 48 48 GLN C C 13 176.71 0.12 . 1 . . . . . . . . 4081 1 597 . 1 1 48 48 GLN CA C 13 55.62 0.12 . 1 . . . . . . . . 4081 1 598 . 1 1 48 48 GLN CB C 13 29.20 0.12 . 1 . . . . . . . . 4081 1 599 . 1 1 48 48 GLN CG C 13 33.71 0.12 . 1 . . . . . . . . 4081 1 600 . 1 1 48 48 GLN N N 15 119.99 0.15 . 1 . . . . . . . . 4081 1 601 . 1 1 48 48 GLN NE2 N 15 111.95 0.15 . 1 . . . . . . . . 4081 1 602 . 1 1 49 49 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 4081 1 603 . 1 1 49 49 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 4081 1 604 . 1 1 49 49 LYS HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4081 1 605 . 1 1 49 49 LYS HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4081 1 606 . 1 1 49 49 LYS HG2 H 1 1.48 0.03 . 2 . . . . . . . . 4081 1 607 . 1 1 49 49 LYS HG3 H 1 1.48 0.03 . 2 . . . . . . . . 4081 1 608 . 1 1 49 49 LYS HD2 H 1 1.63 0.03 . 2 . . . . . . . . 4081 1 609 . 1 1 49 49 LYS HD3 H 1 1.63 0.03 . 2 . . . . . . . . 4081 1 610 . 1 1 49 49 LYS HE2 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 611 . 1 1 49 49 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 612 . 1 1 49 49 LYS C C 13 177.91 0.12 . 1 . . . . . . . . 4081 1 613 . 1 1 49 49 LYS CA C 13 58.25 0.12 . 1 . . . . . . . . 4081 1 614 . 1 1 49 49 LYS CB C 13 32.49 0.12 . 1 . . . . . . . . 4081 1 615 . 1 1 49 49 LYS CG C 13 24.86 0.12 . 1 . . . . . . . . 4081 1 616 . 1 1 49 49 LYS CD C 13 28.90 0.12 . 1 . . . . . . . . 4081 1 617 . 1 1 49 49 LYS CE C 13 41.99 0.12 . 1 . . . . . . . . 4081 1 618 . 1 1 49 49 LYS N N 15 121.96 0.15 . 1 . . . . . . . . 4081 1 619 . 1 1 50 50 ALA H H 1 8.58 0.03 . 1 . . . . . . . . 4081 1 620 . 1 1 50 50 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 4081 1 621 . 1 1 50 50 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 4081 1 622 . 1 1 50 50 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 4081 1 623 . 1 1 50 50 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4081 1 624 . 1 1 50 50 ALA C C 13 178.76 0.12 . 1 . . . . . . . . 4081 1 625 . 1 1 50 50 ALA CA C 13 54.04 0.12 . 1 . . . . . . . . 4081 1 626 . 1 1 50 50 ALA CB C 13 18.97 0.12 . 1 . . . . . . . . 4081 1 627 . 1 1 50 50 ALA N N 15 121.04 0.15 . 1 . . . . . . . . 4081 1 628 . 1 1 51 51 GLU H H 1 8.08 0.03 . 1 . . . . . . . . 4081 1 629 . 1 1 51 51 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4081 1 630 . 1 1 51 51 GLU HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4081 1 631 . 1 1 51 51 GLU HB3 H 1 2.14 0.03 . 2 . . . . . . . . 4081 1 632 . 1 1 51 51 GLU HG2 H 1 2.38 0.03 . 2 . . . . . . . . 4081 1 633 . 1 1 51 51 GLU HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4081 1 634 . 1 1 51 51 GLU C C 13 176.94 0.12 . 1 . . . . . . . . 4081 1 635 . 1 1 51 51 GLU CA C 13 57.13 0.12 . 1 . . . . . . . . 4081 1 636 . 1 1 51 51 GLU CB C 13 29.29 0.12 . 1 . . . . . . . . 4081 1 637 . 1 1 51 51 GLU CG C 13 34.66 0.12 . 1 . . . . . . . . 4081 1 638 . 1 1 51 51 GLU N N 15 115.05 0.15 . 1 . . . . . . . . 4081 1 639 . 1 1 52 52 THR H H 1 7.85 0.03 . 1 . . . . . . . . 4081 1 640 . 1 1 52 52 THR HA H 1 4.13 0.03 . 1 . . . . . . . . 4081 1 641 . 1 1 52 52 THR HB H 1 4.27 0.03 . 1 . . . . . . . . 4081 1 642 . 1 1 52 52 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 643 . 1 1 52 52 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 644 . 1 1 52 52 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 645 . 1 1 52 52 THR C C 13 175.78 0.12 . 1 . . . . . . . . 4081 1 646 . 1 1 52 52 THR CA C 13 63.82 0.12 . 1 . . . . . . . . 4081 1 647 . 1 1 52 52 THR CB C 13 69.61 0.12 . 1 . . . . . . . . 4081 1 648 . 1 1 52 52 THR CG2 C 13 22.62 0.12 . 1 . . . . . . . . 4081 1 649 . 1 1 52 52 THR N N 15 111.56 0.15 . 1 . . . . . . . . 4081 1 650 . 1 1 53 53 ILE H H 1 8.12 0.03 . 1 . . . . . . . . 4081 1 651 . 1 1 53 53 ILE HA H 1 3.90 0.03 . 1 . . . . . . . . 4081 1 652 . 1 1 53 53 ILE HB H 1 2.12 0.03 . 1 . . . . . . . . 4081 1 653 . 1 1 53 53 ILE HG12 H 1 1.75 0.03 . 1 . . . . . . . . 4081 1 654 . 1 1 53 53 ILE HG13 H 1 1.22 0.03 . 1 . . . . . . . . 4081 1 655 . 1 1 53 53 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4081 1 656 . 1 1 53 53 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4081 1 657 . 1 1 53 53 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4081 1 658 . 1 1 53 53 ILE HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 659 . 1 1 53 53 ILE HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 660 . 1 1 53 53 ILE HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 661 . 1 1 53 53 ILE CA C 13 66.84 0.12 . 1 . . . . . . . . 4081 1 662 . 1 1 53 53 ILE CB C 13 34.90 0.12 . 1 . . . . . . . . 4081 1 663 . 1 1 53 53 ILE CG1 C 13 30.00 0.12 . 1 . . . . . . . . 4081 1 664 . 1 1 53 53 ILE CG2 C 13 17.95 0.12 . 1 . . . . . . . . 4081 1 665 . 1 1 53 53 ILE CD1 C 13 12.81 0.12 . 1 . . . . . . . . 4081 1 666 . 1 1 53 53 ILE N N 15 121.50 0.15 . 1 . . . . . . . . 4081 1 667 . 1 1 54 54 PRO HA H 1 4.31 0.03 . 1 . . . . . . . . 4081 1 668 . 1 1 54 54 PRO HB2 H 1 1.81 0.03 . 2 . . . . . . . . 4081 1 669 . 1 1 54 54 PRO HB3 H 1 2.37 0.03 . 2 . . . . . . . . 4081 1 670 . 1 1 54 54 PRO HG2 H 1 1.95 0.03 . 2 . . . . . . . . 4081 1 671 . 1 1 54 54 PRO HG3 H 1 2.15 0.03 . 2 . . . . . . . . 4081 1 672 . 1 1 54 54 PRO HD2 H 1 3.68 0.03 . 2 . . . . . . . . 4081 1 673 . 1 1 54 54 PRO HD3 H 1 3.63 0.03 . 2 . . . . . . . . 4081 1 674 . 1 1 54 54 PRO C C 13 179.58 0.12 . 1 . . . . . . . . 4081 1 675 . 1 1 54 54 PRO CA C 13 66.07 0.12 . 1 . . . . . . . . 4081 1 676 . 1 1 54 54 PRO CB C 13 31.45 0.12 . 1 . . . . . . . . 4081 1 677 . 1 1 54 54 PRO CG C 13 28.61 0.12 . 1 . . . . . . . . 4081 1 678 . 1 1 54 54 PRO CD C 13 49.84 0.12 . 1 . . . . . . . . 4081 1 679 . 1 1 55 55 VAL H H 1 7.23 0.03 . 1 . . . . . . . . 4081 1 680 . 1 1 55 55 VAL HA H 1 3.72 0.03 . 1 . . . . . . . . 4081 1 681 . 1 1 55 55 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4081 1 682 . 1 1 55 55 VAL HG11 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 683 . 1 1 55 55 VAL HG12 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 684 . 1 1 55 55 VAL HG13 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 685 . 1 1 55 55 VAL HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 686 . 1 1 55 55 VAL HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 687 . 1 1 55 55 VAL HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 688 . 1 1 55 55 VAL C C 13 177.68 0.12 . 1 . . . . . . . . 4081 1 689 . 1 1 55 55 VAL CA C 13 65.86 0.12 . 1 . . . . . . . . 4081 1 690 . 1 1 55 55 VAL CB C 13 31.51 0.12 . 1 . . . . . . . . 4081 1 691 . 1 1 55 55 VAL CG1 C 13 22.39 0.12 . 1 . . . . . . . . 4081 1 692 . 1 1 55 55 VAL CG2 C 13 22.70 0.12 . 1 . . . . . . . . 4081 1 693 . 1 1 55 55 VAL N N 15 116.37 0.15 . 1 . . . . . . . . 4081 1 694 . 1 1 56 56 LEU H H 1 8.52 0.03 . 1 . . . . . . . . 4081 1 695 . 1 1 56 56 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 4081 1 696 . 1 1 56 56 LEU HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4081 1 697 . 1 1 56 56 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4081 1 698 . 1 1 56 56 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 4081 1 699 . 1 1 56 56 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 700 . 1 1 56 56 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 701 . 1 1 56 56 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 702 . 1 1 56 56 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 703 . 1 1 56 56 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 704 . 1 1 56 56 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 4081 1 705 . 1 1 56 56 LEU C C 13 178.69 0.12 . 1 . . . . . . . . 4081 1 706 . 1 1 56 56 LEU CA C 13 58.03 0.12 . 1 . . . . . . . . 4081 1 707 . 1 1 56 56 LEU CB C 13 42.09 0.12 . 1 . . . . . . . . 4081 1 708 . 1 1 56 56 LEU CG C 13 24.37 0.12 . 1 . . . . . . . . 4081 1 709 . 1 1 56 56 LEU CD1 C 13 24.08 0.12 . 1 . . . . . . . . 4081 1 710 . 1 1 56 56 LEU CD2 C 13 24.97 0.12 . 1 . . . . . . . . 4081 1 711 . 1 1 56 56 LEU N N 15 122.43 0.15 . 1 . . . . . . . . 4081 1 712 . 1 1 57 57 HIS H H 1 9.05 0.03 . 1 . . . . . . . . 4081 1 713 . 1 1 57 57 HIS HA H 1 3.81 0.03 . 1 . . . . . . . . 4081 1 714 . 1 1 57 57 HIS HB2 H 1 3.08 0.03 . 1 . . . . . . . . 4081 1 715 . 1 1 57 57 HIS HB3 H 1 3.39 0.03 . 1 . . . . . . . . 4081 1 716 . 1 1 57 57 HIS HD2 H 1 7.20 0.03 . 1 . . . . . . . . 4081 1 717 . 1 1 57 57 HIS HE1 H 1 8.62 0.03 . 1 . . . . . . . . 4081 1 718 . 1 1 57 57 HIS C C 13 175.69 0.12 . 1 . . . . . . . . 4081 1 719 . 1 1 57 57 HIS CA C 13 60.63 0.12 . 1 . . . . . . . . 4081 1 720 . 1 1 57 57 HIS CB C 13 28.07 0.12 . 1 . . . . . . . . 4081 1 721 . 1 1 57 57 HIS CD2 C 13 119.70 0.12 . 1 . . . . . . . . 4081 1 722 . 1 1 57 57 HIS N N 15 116.64 0.15 . 1 . . . . . . . . 4081 1 723 . 1 1 58 58 GLU H H 1 7.89 0.03 . 1 . . . . . . . . 4081 1 724 . 1 1 58 58 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4081 1 725 . 1 1 58 58 GLU HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4081 1 726 . 1 1 58 58 GLU HB3 H 1 2.14 0.03 . 2 . . . . . . . . 4081 1 727 . 1 1 58 58 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4081 1 728 . 1 1 58 58 GLU HG3 H 1 2.32 0.03 . 2 . . . . . . . . 4081 1 729 . 1 1 58 58 GLU C C 13 177.85 0.12 . 1 . . . . . . . . 4081 1 730 . 1 1 58 58 GLU CA C 13 59.20 0.12 . 1 . . . . . . . . 4081 1 731 . 1 1 58 58 GLU CB C 13 29.05 0.12 . 1 . . . . . . . . 4081 1 732 . 1 1 58 58 GLU N N 15 119.32 0.15 . 1 . . . . . . . . 4081 1 733 . 1 1 59 59 MET H H 1 8.61 0.03 . 1 . . . . . . . . 4081 1 734 . 1 1 59 59 MET HA H 1 4.09 0.03 . 1 . . . . . . . . 4081 1 735 . 1 1 59 59 MET HB2 H 1 2.52 0.03 . 1 . . . . . . . . 4081 1 736 . 1 1 59 59 MET HB3 H 1 2.67 0.03 . 1 . . . . . . . . 4081 1 737 . 1 1 59 59 MET HE1 H 1 2.05 0.03 . 1 . . . . . . . . 4081 1 738 . 1 1 59 59 MET HE2 H 1 2.05 0.03 . 1 . . . . . . . . 4081 1 739 . 1 1 59 59 MET HE3 H 1 2.05 0.03 . 1 . . . . . . . . 4081 1 740 . 1 1 59 59 MET C C 13 177.13 0.12 . 1 . . . . . . . . 4081 1 741 . 1 1 59 59 MET CA C 13 59.18 0.12 . 1 . . . . . . . . 4081 1 742 . 1 1 59 59 MET CB C 13 32.76 0.12 . 1 . . . . . . . . 4081 1 743 . 1 1 59 59 MET CG C 13 32.56 0.12 . 1 . . . . . . . . 4081 1 744 . 1 1 59 59 MET CE C 13 18.10 0.12 . 1 . . . . . . . . 4081 1 745 . 1 1 59 59 MET N N 15 118.25 0.15 . 1 . . . . . . . . 4081 1 746 . 1 1 60 60 ILE H H 1 8.36 0.03 . 1 . . . . . . . . 4081 1 747 . 1 1 60 60 ILE HA H 1 3.47 0.03 . 1 . . . . . . . . 4081 1 748 . 1 1 60 60 ILE HB H 1 1.73 0.03 . 1 . . . . . . . . 4081 1 749 . 1 1 60 60 ILE HG12 H 1 1.76 0.03 . 2 . . . . . . . . 4081 1 750 . 1 1 60 60 ILE HG13 H 1 1.22 0.03 . 2 . . . . . . . . 4081 1 751 . 1 1 60 60 ILE HG21 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 752 . 1 1 60 60 ILE HG22 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 753 . 1 1 60 60 ILE HG23 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 754 . 1 1 60 60 ILE HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 755 . 1 1 60 60 ILE HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 756 . 1 1 60 60 ILE HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 757 . 1 1 60 60 ILE CA C 13 65.18 0.12 . 1 . . . . . . . . 4081 1 758 . 1 1 60 60 ILE CB C 13 36.94 0.12 . 1 . . . . . . . . 4081 1 759 . 1 1 60 60 ILE CG1 C 13 29.66 0.12 . 1 . . . . . . . . 4081 1 760 . 1 1 60 60 ILE CG2 C 13 19.38 0.12 . 1 . . . . . . . . 4081 1 761 . 1 1 60 60 ILE CD1 C 13 12.77 0.12 . 1 . . . . . . . . 4081 1 762 . 1 1 60 60 ILE N N 15 116.75 0.15 . 1 . . . . . . . . 4081 1 763 . 1 1 61 61 GLN H H 1 8.26 0.03 . 1 . . . . . . . . 4081 1 764 . 1 1 61 61 GLN HA H 1 3.72 0.03 . 1 . . . . . . . . 4081 1 765 . 1 1 61 61 GLN HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4081 1 766 . 1 1 61 61 GLN HB3 H 1 1.77 0.03 . 2 . . . . . . . . 4081 1 767 . 1 1 61 61 GLN HG2 H 1 2.30 0.03 . 2 . . . . . . . . 4081 1 768 . 1 1 61 61 GLN HG3 H 1 2.30 0.03 . 2 . . . . . . . . 4081 1 769 . 1 1 61 61 GLN HE21 H 1 7.19 0.03 . 2 . . . . . . . . 4081 1 770 . 1 1 61 61 GLN HE22 H 1 6.74 0.03 . 2 . . . . . . . . 4081 1 771 . 1 1 61 61 GLN C C 13 178.34 0.12 . 1 . . . . . . . . 4081 1 772 . 1 1 61 61 GLN CA C 13 58.76 0.12 . 1 . . . . . . . . 4081 1 773 . 1 1 61 61 GLN CB C 13 28.95 0.12 . 1 . . . . . . . . 4081 1 774 . 1 1 61 61 GLN CG C 13 33.75 0.12 . 1 . . . . . . . . 4081 1 775 . 1 1 61 61 GLN N N 15 119.90 0.15 . 1 . . . . . . . . 4081 1 776 . 1 1 61 61 GLN NE2 N 15 113.19 0.15 . 1 . . . . . . . . 4081 1 777 . 1 1 62 62 GLN H H 1 8.42 0.03 . 1 . . . . . . . . 4081 1 778 . 1 1 62 62 GLN HA H 1 3.68 0.03 . 1 . . . . . . . . 4081 1 779 . 1 1 62 62 GLN HB2 H 1 0.95 0.03 . 1 . . . . . . . . 4081 1 780 . 1 1 62 62 GLN HB3 H 1 0.54 0.03 . 1 . . . . . . . . 4081 1 781 . 1 1 62 62 GLN HG2 H 1 1.87 0.03 . 2 . . . . . . . . 4081 1 782 . 1 1 62 62 GLN HG3 H 1 2.64 0.03 . 2 . . . . . . . . 4081 1 783 . 1 1 62 62 GLN HE21 H 1 7.06 0.03 . 2 . . . . . . . . 4081 1 784 . 1 1 62 62 GLN HE22 H 1 8.28 0.03 . 2 . . . . . . . . 4081 1 785 . 1 1 62 62 GLN C C 13 179.76 0.12 . 1 . . . . . . . . 4081 1 786 . 1 1 62 62 GLN CA C 13 57.80 0.12 . 1 . . . . . . . . 4081 1 787 . 1 1 62 62 GLN CB C 13 24.53 0.12 . 1 . . . . . . . . 4081 1 788 . 1 1 62 62 GLN CG C 13 32.88 0.12 . 1 . . . . . . . . 4081 1 789 . 1 1 62 62 GLN N N 15 116.43 0.15 . 1 . . . . . . . . 4081 1 790 . 1 1 62 62 GLN NE2 N 15 114.18 0.15 . 1 . . . . . . . . 4081 1 791 . 1 1 63 63 ILE H H 1 8.16 0.03 . 1 . . . . . . . . 4081 1 792 . 1 1 63 63 ILE HA H 1 3.69 0.03 . 1 . . . . . . . . 4081 1 793 . 1 1 63 63 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 4081 1 794 . 1 1 63 63 ILE HG12 H 1 1.75 0.03 . 2 . . . . . . . . 4081 1 795 . 1 1 63 63 ILE HG13 H 1 1.27 0.03 . 2 . . . . . . . . 4081 1 796 . 1 1 63 63 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4081 1 797 . 1 1 63 63 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4081 1 798 . 1 1 63 63 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4081 1 799 . 1 1 63 63 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 800 . 1 1 63 63 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 801 . 1 1 63 63 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 802 . 1 1 63 63 ILE C C 13 177.34 0.12 . 1 . . . . . . . . 4081 1 803 . 1 1 63 63 ILE CA C 13 67.05 0.12 . 1 . . . . . . . . 4081 1 804 . 1 1 63 63 ILE CB C 13 38.10 0.12 . 1 . . . . . . . . 4081 1 805 . 1 1 63 63 ILE CG1 C 13 29.15 0.12 . 1 . . . . . . . . 4081 1 806 . 1 1 63 63 ILE CG2 C 13 19.21 0.12 . 1 . . . . . . . . 4081 1 807 . 1 1 63 63 ILE CD1 C 13 14.63 0.12 . 1 . . . . . . . . 4081 1 808 . 1 1 63 63 ILE N N 15 122.43 0.15 . 1 . . . . . . . . 4081 1 809 . 1 1 64 64 PHE H H 1 8.43 0.03 . 1 . . . . . . . . 4081 1 810 . 1 1 64 64 PHE HA H 1 3.74 0.03 . 1 . . . . . . . . 4081 1 811 . 1 1 64 64 PHE HB2 H 1 2.76 0.03 . 1 . . . . . . . . 4081 1 812 . 1 1 64 64 PHE HB3 H 1 3.33 0.03 . 1 . . . . . . . . 4081 1 813 . 1 1 64 64 PHE HD1 H 1 6.93 0.03 . 3 . . . . . . . . 4081 1 814 . 1 1 64 64 PHE HD2 H 1 6.93 0.03 . 3 . . . . . . . . 4081 1 815 . 1 1 64 64 PHE HE1 H 1 6.89 0.03 . 3 . . . . . . . . 4081 1 816 . 1 1 64 64 PHE HE2 H 1 6.89 0.03 . 3 . . . . . . . . 4081 1 817 . 1 1 64 64 PHE HZ H 1 6.98 0.03 . 1 . . . . . . . . 4081 1 818 . 1 1 64 64 PHE C C 13 178.48 0.12 . 1 . . . . . . . . 4081 1 819 . 1 1 64 64 PHE CA C 13 62.14 0.12 . 1 . . . . . . . . 4081 1 820 . 1 1 64 64 PHE CB C 13 38.41 0.12 . 1 . . . . . . . . 4081 1 821 . 1 1 64 64 PHE N N 15 120.48 0.15 . 1 . . . . . . . . 4081 1 822 . 1 1 65 65 ASN H H 1 8.83 0.03 . 1 . . . . . . . . 4081 1 823 . 1 1 65 65 ASN HA H 1 4.08 0.03 . 1 . . . . . . . . 4081 1 824 . 1 1 65 65 ASN HB2 H 1 2.87 0.03 . 2 . . . . . . . . 4081 1 825 . 1 1 65 65 ASN HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4081 1 826 . 1 1 65 65 ASN C C 13 178.03 0.12 . 1 . . . . . . . . 4081 1 827 . 1 1 65 65 ASN CA C 13 55.81 0.12 . 1 . . . . . . . . 4081 1 828 . 1 1 65 65 ASN CB C 13 37.46 0.12 . 1 . . . . . . . . 4081 1 829 . 1 1 65 65 ASN N N 15 119.50 0.15 . 1 . . . . . . . . 4081 1 830 . 1 1 66 66 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 4081 1 831 . 1 1 66 66 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 4081 1 832 . 1 1 66 66 LEU HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4081 1 833 . 1 1 66 66 LEU HB3 H 1 2.24 0.03 . 1 . . . . . . . . 4081 1 834 . 1 1 66 66 LEU HG H 1 1.28 0.03 . 1 . . . . . . . . 4081 1 835 . 1 1 66 66 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 836 . 1 1 66 66 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 837 . 1 1 66 66 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 838 . 1 1 66 66 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 839 . 1 1 66 66 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 840 . 1 1 66 66 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 841 . 1 1 66 66 LEU C C 13 177.88 0.12 . 1 . . . . . . . . 4081 1 842 . 1 1 66 66 LEU CA C 13 58.15 0.12 . 1 . . . . . . . . 4081 1 843 . 1 1 66 66 LEU CB C 13 42.70 0.12 . 1 . . . . . . . . 4081 1 844 . 1 1 66 66 LEU CG C 13 27.01 0.12 . 1 . . . . . . . . 4081 1 845 . 1 1 66 66 LEU CD1 C 13 23.11 0.12 . 1 . . . . . . . . 4081 1 846 . 1 1 66 66 LEU CD2 C 13 27.40 0.12 . 1 . . . . . . . . 4081 1 847 . 1 1 66 66 LEU N N 15 121.17 0.15 . 1 . . . . . . . . 4081 1 848 . 1 1 67 67 PHE H H 1 8.17 0.03 . 1 . . . . . . . . 4081 1 849 . 1 1 67 67 PHE HA H 1 4.95 0.03 . 1 . . . . . . . . 4081 1 850 . 1 1 67 67 PHE HB2 H 1 2.98 0.03 . 1 . . . . . . . . 4081 1 851 . 1 1 67 67 PHE HB3 H 1 3.43 0.03 . 1 . . . . . . . . 4081 1 852 . 1 1 67 67 PHE HD1 H 1 7.49 0.03 . 3 . . . . . . . . 4081 1 853 . 1 1 67 67 PHE HD2 H 1 7.49 0.03 . 3 . . . . . . . . 4081 1 854 . 1 1 67 67 PHE HE1 H 1 6.84 0.03 . 3 . . . . . . . . 4081 1 855 . 1 1 67 67 PHE HE2 H 1 6.84 0.03 . 3 . . . . . . . . 4081 1 856 . 1 1 67 67 PHE HZ H 1 6.78 0.03 . 1 . . . . . . . . 4081 1 857 . 1 1 67 67 PHE C C 13 178.00 0.12 . 1 . . . . . . . . 4081 1 858 . 1 1 67 67 PHE CA C 13 59.36 0.12 . 1 . . . . . . . . 4081 1 859 . 1 1 67 67 PHE CB C 13 38.76 0.12 . 1 . . . . . . . . 4081 1 860 . 1 1 67 67 PHE CD1 C 13 132.30 0.12 . 3 . . . . . . . . 4081 1 861 . 1 1 67 67 PHE CD2 C 13 132.30 0.12 . 3 . . . . . . . . 4081 1 862 . 1 1 67 67 PHE CE1 C 13 130.90 0.12 . 3 . . . . . . . . 4081 1 863 . 1 1 67 67 PHE CE2 C 13 130.90 0.12 . 3 . . . . . . . . 4081 1 864 . 1 1 67 67 PHE CZ C 13 127.65 0.12 . 1 . . . . . . . . 4081 1 865 . 1 1 67 67 PHE N N 15 110.49 0.15 . 1 . . . . . . . . 4081 1 866 . 1 1 68 68 SER H H 1 8.03 0.03 . 1 . . . . . . . . 4081 1 867 . 1 1 68 68 SER HA H 1 4.64 0.03 . 1 . . . . . . . . 4081 1 868 . 1 1 68 68 SER HB2 H 1 3.65 0.03 . 1 . . . . . . . . 4081 1 869 . 1 1 68 68 SER HB3 H 1 3.12 0.03 . 1 . . . . . . . . 4081 1 870 . 1 1 68 68 SER C C 13 173.55 0.12 . 1 . . . . . . . . 4081 1 871 . 1 1 68 68 SER CA C 13 59.43 0.12 . 1 . . . . . . . . 4081 1 872 . 1 1 68 68 SER CB C 13 63.22 0.12 . 1 . . . . . . . . 4081 1 873 . 1 1 68 68 SER N N 15 118.74 0.15 . 1 . . . . . . . . 4081 1 874 . 1 1 69 69 THR H H 1 6.99 0.03 . 1 . . . . . . . . 4081 1 875 . 1 1 69 69 THR HA H 1 4.41 0.03 . 1 . . . . . . . . 4081 1 876 . 1 1 69 69 THR HB H 1 4.73 0.03 . 1 . . . . . . . . 4081 1 877 . 1 1 69 69 THR HG21 H 1 1.57 0.03 . 1 . . . . . . . . 4081 1 878 . 1 1 69 69 THR HG22 H 1 1.57 0.03 . 1 . . . . . . . . 4081 1 879 . 1 1 69 69 THR HG23 H 1 1.57 0.03 . 1 . . . . . . . . 4081 1 880 . 1 1 69 69 THR C C 13 175.80 0.12 . 1 . . . . . . . . 4081 1 881 . 1 1 69 69 THR CA C 13 61.39 0.12 . 1 . . . . . . . . 4081 1 882 . 1 1 69 69 THR CB C 13 72.44 0.12 . 1 . . . . . . . . 4081 1 883 . 1 1 69 69 THR CG2 C 13 21.47 0.12 . 1 . . . . . . . . 4081 1 884 . 1 1 69 69 THR N N 15 110.98 0.15 . 1 . . . . . . . . 4081 1 885 . 1 1 70 70 LYS H H 1 9.08 0.03 . 1 . . . . . . . . 4081 1 886 . 1 1 70 70 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4081 1 887 . 1 1 70 70 LYS HB2 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 888 . 1 1 70 70 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 889 . 1 1 70 70 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 4081 1 890 . 1 1 70 70 LYS HG3 H 1 1.44 0.03 . 2 . . . . . . . . 4081 1 891 . 1 1 70 70 LYS HD2 H 1 1.57 0.03 . 2 . . . . . . . . 4081 1 892 . 1 1 70 70 LYS HD3 H 1 1.57 0.03 . 2 . . . . . . . . 4081 1 893 . 1 1 70 70 LYS HE2 H 1 2.93 0.03 . 2 . . . . . . . . 4081 1 894 . 1 1 70 70 LYS HE3 H 1 2.93 0.03 . 2 . . . . . . . . 4081 1 895 . 1 1 70 70 LYS C C 13 179.26 0.12 . 1 . . . . . . . . 4081 1 896 . 1 1 70 70 LYS CA C 13 58.61 0.12 . 1 . . . . . . . . 4081 1 897 . 1 1 70 70 LYS CB C 13 31.69 0.12 . 1 . . . . . . . . 4081 1 898 . 1 1 70 70 LYS CG C 13 24.82 0.12 . 1 . . . . . . . . 4081 1 899 . 1 1 70 70 LYS CD C 13 28.85 0.12 . 1 . . . . . . . . 4081 1 900 . 1 1 70 70 LYS CE C 13 41.38 0.12 . 1 . . . . . . . . 4081 1 901 . 1 1 70 70 LYS N N 15 120.78 0.15 . 1 . . . . . . . . 4081 1 902 . 1 1 71 71 ASP H H 1 7.48 0.03 . 1 . . . . . . . . 4081 1 903 . 1 1 71 71 ASP HA H 1 4.18 0.03 . 1 . . . . . . . . 4081 1 904 . 1 1 71 71 ASP HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4081 1 905 . 1 1 71 71 ASP HB3 H 1 2.31 0.03 . 2 . . . . . . . . 4081 1 906 . 1 1 71 71 ASP C C 13 178.56 0.12 . 1 . . . . . . . . 4081 1 907 . 1 1 71 71 ASP CA C 13 57.12 0.12 . 1 . . . . . . . . 4081 1 908 . 1 1 71 71 ASP CB C 13 40.96 0.12 . 1 . . . . . . . . 4081 1 909 . 1 1 71 71 ASP N N 15 116.11 0.15 . 1 . . . . . . . . 4081 1 910 . 1 1 72 72 SER H H 1 8.07 0.03 . 1 . . . . . . . . 4081 1 911 . 1 1 72 72 SER HA H 1 3.75 0.03 . 1 . . . . . . . . 4081 1 912 . 1 1 72 72 SER HB2 H 1 4.08 0.03 . 2 . . . . . . . . 4081 1 913 . 1 1 72 72 SER HB3 H 1 4.08 0.03 . 2 . . . . . . . . 4081 1 914 . 1 1 72 72 SER C C 13 176.95 0.12 . 1 . . . . . . . . 4081 1 915 . 1 1 72 72 SER CA C 13 60.32 0.12 . 1 . . . . . . . . 4081 1 916 . 1 1 72 72 SER CB C 13 62.58 0.12 . 1 . . . . . . . . 4081 1 917 . 1 1 72 72 SER N N 15 116.85 0.15 . 1 . . . . . . . . 4081 1 918 . 1 1 73 73 SER H H 1 7.98 0.03 . 1 . . . . . . . . 4081 1 919 . 1 1 73 73 SER HA H 1 4.12 0.03 . 1 . . . . . . . . 4081 1 920 . 1 1 73 73 SER HB2 H 1 3.96 0.03 . 2 . . . . . . . . 4081 1 921 . 1 1 73 73 SER HB3 H 1 3.96 0.03 . 2 . . . . . . . . 4081 1 922 . 1 1 73 73 SER C C 13 174.93 0.12 . 1 . . . . . . . . 4081 1 923 . 1 1 73 73 SER CA C 13 61.28 0.12 . 1 . . . . . . . . 4081 1 924 . 1 1 73 73 SER CB C 13 62.90 0.12 . 1 . . . . . . . . 4081 1 925 . 1 1 73 73 SER N N 15 112.99 0.15 . 1 . . . . . . . . 4081 1 926 . 1 1 74 74 ALA H H 1 7.11 0.03 . 1 . . . . . . . . 4081 1 927 . 1 1 74 74 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 4081 1 928 . 1 1 74 74 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 4081 1 929 . 1 1 74 74 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 4081 1 930 . 1 1 74 74 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 4081 1 931 . 1 1 74 74 ALA C C 13 177.69 0.12 . 1 . . . . . . . . 4081 1 932 . 1 1 74 74 ALA CA C 13 52.77 0.12 . 1 . . . . . . . . 4081 1 933 . 1 1 74 74 ALA CB C 13 18.82 0.12 . 1 . . . . . . . . 4081 1 934 . 1 1 74 74 ALA N N 15 119.08 0.15 . 1 . . . . . . . . 4081 1 935 . 1 1 75 75 ALA H H 1 7.17 0.03 . 1 . . . . . . . . 4081 1 936 . 1 1 75 75 ALA HA H 1 3.74 0.03 . 1 . . . . . . . . 4081 1 937 . 1 1 75 75 ALA HB1 H 1 -0.26 0.03 . 1 . . . . . . . . 4081 1 938 . 1 1 75 75 ALA HB2 H 1 -0.26 0.03 . 1 . . . . . . . . 4081 1 939 . 1 1 75 75 ALA HB3 H 1 -0.26 0.03 . 1 . . . . . . . . 4081 1 940 . 1 1 75 75 ALA C C 13 177.26 0.12 . 1 . . . . . . . . 4081 1 941 . 1 1 75 75 ALA CA C 13 53.06 0.12 . 1 . . . . . . . . 4081 1 942 . 1 1 75 75 ALA CB C 13 18.26 0.12 . 1 . . . . . . . . 4081 1 943 . 1 1 75 75 ALA N N 15 121.08 0.15 . 1 . . . . . . . . 4081 1 944 . 1 1 76 76 TRP H H 1 7.08 0.03 . 1 . . . . . . . . 4081 1 945 . 1 1 76 76 TRP HA H 1 5.13 0.03 . 1 . . . . . . . . 4081 1 946 . 1 1 76 76 TRP HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4081 1 947 . 1 1 76 76 TRP HB3 H 1 3.05 0.03 . 1 . . . . . . . . 4081 1 948 . 1 1 76 76 TRP HD1 H 1 7.33 0.03 . 1 . . . . . . . . 4081 1 949 . 1 1 76 76 TRP HE1 H 1 6.79 0.03 . 1 . . . . . . . . 4081 1 950 . 1 1 76 76 TRP HE3 H 1 7.63 0.03 . 1 . . . . . . . . 4081 1 951 . 1 1 76 76 TRP HZ2 H 1 7.82 0.03 . 1 . . . . . . . . 4081 1 952 . 1 1 76 76 TRP HZ3 H 1 7.33 0.03 . 1 . . . . . . . . 4081 1 953 . 1 1 76 76 TRP HH2 H 1 7.17 0.03 . 1 . . . . . . . . 4081 1 954 . 1 1 76 76 TRP C C 13 174.81 0.12 . 1 . . . . . . . . 4081 1 955 . 1 1 76 76 TRP CA C 13 53.46 0.12 . 1 . . . . . . . . 4081 1 956 . 1 1 76 76 TRP CB C 13 33.42 0.12 . 1 . . . . . . . . 4081 1 957 . 1 1 76 76 TRP CD1 C 13 129.75 0.12 . 1 . . . . . . . . 4081 1 958 . 1 1 76 76 TRP CE3 C 13 122.95 0.12 . 1 . . . . . . . . 4081 1 959 . 1 1 76 76 TRP CZ2 C 13 114.20 0.12 . 1 . . . . . . . . 4081 1 960 . 1 1 76 76 TRP CZ3 C 13 122.40 0.12 . 1 . . . . . . . . 4081 1 961 . 1 1 76 76 TRP CH2 C 13 124.31 0.12 . 1 . . . . . . . . 4081 1 962 . 1 1 76 76 TRP N N 15 116.44 0.15 . 1 . . . . . . . . 4081 1 963 . 1 1 76 76 TRP NE1 N 15 121.68 0.15 . 1 . . . . . . . . 4081 1 964 . 1 1 77 77 ASP H H 1 8.25 0.03 . 1 . . . . . . . . 4081 1 965 . 1 1 77 77 ASP HA H 1 4.39 0.03 . 1 . . . . . . . . 4081 1 966 . 1 1 77 77 ASP HB2 H 1 2.59 0.03 . 1 . . . . . . . . 4081 1 967 . 1 1 77 77 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4081 1 968 . 1 1 77 77 ASP C C 13 176.97 0.12 . 1 . . . . . . . . 4081 1 969 . 1 1 77 77 ASP CA C 13 55.00 0.12 . 1 . . . . . . . . 4081 1 970 . 1 1 77 77 ASP CB C 13 42.78 0.12 . 1 . . . . . . . . 4081 1 971 . 1 1 77 77 ASP N N 15 119.68 0.15 . 1 . . . . . . . . 4081 1 972 . 1 1 78 78 GLU H H 1 8.92 0.03 . 1 . . . . . . . . 4081 1 973 . 1 1 78 78 GLU HA H 1 3.93 0.03 . 1 . . . . . . . . 4081 1 974 . 1 1 78 78 GLU HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4081 1 975 . 1 1 78 78 GLU HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4081 1 976 . 1 1 78 78 GLU HG2 H 1 2.48 0.03 . 2 . . . . . . . . 4081 1 977 . 1 1 78 78 GLU HG3 H 1 2.59 0.03 . 2 . . . . . . . . 4081 1 978 . 1 1 78 78 GLU C C 13 177.61 0.12 . 1 . . . . . . . . 4081 1 979 . 1 1 78 78 GLU CA C 13 59.37 0.12 . 1 . . . . . . . . 4081 1 980 . 1 1 78 78 GLU CB C 13 28.95 0.12 . 1 . . . . . . . . 4081 1 981 . 1 1 78 78 GLU CG C 13 34.68 0.12 . 1 . . . . . . . . 4081 1 982 . 1 1 78 78 GLU N N 15 126.81 0.15 . 1 . . . . . . . . 4081 1 983 . 1 1 79 79 THR H H 1 8.17 0.03 . 1 . . . . . . . . 4081 1 984 . 1 1 79 79 THR HA H 1 3.97 0.03 . 1 . . . . . . . . 4081 1 985 . 1 1 79 79 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4081 1 986 . 1 1 79 79 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 4081 1 987 . 1 1 79 79 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 4081 1 988 . 1 1 79 79 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 4081 1 989 . 1 1 79 79 THR C C 13 177.36 0.12 . 1 . . . . . . . . 4081 1 990 . 1 1 79 79 THR CA C 13 66.15 0.12 . 1 . . . . . . . . 4081 1 991 . 1 1 79 79 THR CB C 13 67.91 0.12 . 1 . . . . . . . . 4081 1 992 . 1 1 79 79 THR CG2 C 13 21.82 0.12 . 1 . . . . . . . . 4081 1 993 . 1 1 79 79 THR N N 15 115.18 0.15 . 1 . . . . . . . . 4081 1 994 . 1 1 80 80 LEU H H 1 7.77 0.03 . 1 . . . . . . . . 4081 1 995 . 1 1 80 80 LEU HA H 1 3.90 0.03 . 1 . . . . . . . . 4081 1 996 . 1 1 80 80 LEU HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4081 1 997 . 1 1 80 80 LEU HB3 H 1 1.09 0.03 . 1 . . . . . . . . 4081 1 998 . 1 1 80 80 LEU HG H 1 1.64 0.03 . 1 . . . . . . . . 4081 1 999 . 1 1 80 80 LEU HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1000 . 1 1 80 80 LEU HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1001 . 1 1 80 80 LEU HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1002 . 1 1 80 80 LEU HD21 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 1003 . 1 1 80 80 LEU HD22 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 1004 . 1 1 80 80 LEU HD23 H 1 0.68 0.03 . 1 . . . . . . . . 4081 1 1005 . 1 1 80 80 LEU C C 13 179.10 0.12 . 1 . . . . . . . . 4081 1 1006 . 1 1 80 80 LEU CA C 13 57.54 0.12 . 1 . . . . . . . . 4081 1 1007 . 1 1 80 80 LEU CB C 13 41.71 0.12 . 1 . . . . . . . . 4081 1 1008 . 1 1 80 80 LEU CG C 13 25.96 0.12 . 1 . . . . . . . . 4081 1 1009 . 1 1 80 80 LEU CD1 C 13 26.50 0.12 . 1 . . . . . . . . 4081 1 1010 . 1 1 80 80 LEU CD2 C 13 22.79 0.12 . 1 . . . . . . . . 4081 1 1011 . 1 1 80 80 LEU N N 15 121.53 0.15 . 1 . . . . . . . . 4081 1 1012 . 1 1 81 81 LEU H H 1 8.34 0.03 . 1 . . . . . . . . 4081 1 1013 . 1 1 81 81 LEU HA H 1 3.51 0.03 . 1 . . . . . . . . 4081 1 1014 . 1 1 81 81 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4081 1 1015 . 1 1 81 81 LEU HB3 H 1 1.10 0.03 . 1 . . . . . . . . 4081 1 1016 . 1 1 81 81 LEU HG H 1 1.53 0.03 . 1 . . . . . . . . 4081 1 1017 . 1 1 81 81 LEU HD11 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1018 . 1 1 81 81 LEU HD12 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1019 . 1 1 81 81 LEU HD13 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1020 . 1 1 81 81 LEU HD21 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1021 . 1 1 81 81 LEU HD22 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1022 . 1 1 81 81 LEU HD23 H 1 0.77 0.03 . 1 . . . . . . . . 4081 1 1023 . 1 1 81 81 LEU C C 13 177.15 0.12 . 1 . . . . . . . . 4081 1 1024 . 1 1 81 81 LEU CA C 13 57.66 0.12 . 1 . . . . . . . . 4081 1 1025 . 1 1 81 81 LEU CB C 13 41.22 0.12 . 1 . . . . . . . . 4081 1 1026 . 1 1 81 81 LEU CG C 13 26.57 0.12 . 1 . . . . . . . . 4081 1 1027 . 1 1 81 81 LEU CD1 C 13 25.64 0.12 . 1 . . . . . . . . 4081 1 1028 . 1 1 81 81 LEU CD2 C 13 22.81 0.12 . 1 . . . . . . . . 4081 1 1029 . 1 1 81 81 LEU N N 15 118.88 0.15 . 1 . . . . . . . . 4081 1 1030 . 1 1 82 82 ASP H H 1 7.96 0.03 . 1 . . . . . . . . 4081 1 1031 . 1 1 82 82 ASP HA H 1 4.31 0.03 . 1 . . . . . . . . 4081 1 1032 . 1 1 82 82 ASP HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4081 1 1033 . 1 1 82 82 ASP HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4081 1 1034 . 1 1 82 82 ASP C C 13 179.13 0.12 . 1 . . . . . . . . 4081 1 1035 . 1 1 82 82 ASP CA C 13 56.89 0.12 . 1 . . . . . . . . 4081 1 1036 . 1 1 82 82 ASP CB C 13 38.72 0.12 . 1 . . . . . . . . 4081 1 1037 . 1 1 82 82 ASP N N 15 115.13 0.15 . 1 . . . . . . . . 4081 1 1038 . 1 1 83 83 LYS H H 1 7.34 0.03 . 1 . . . . . . . . 4081 1 1039 . 1 1 83 83 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 4081 1 1040 . 1 1 83 83 LYS HB2 H 1 1.88 0.03 . 2 . . . . . . . . 4081 1 1041 . 1 1 83 83 LYS HB3 H 1 1.71 0.03 . 2 . . . . . . . . 4081 1 1042 . 1 1 83 83 LYS HG2 H 1 1.53 0.03 . 2 . . . . . . . . 4081 1 1043 . 1 1 83 83 LYS HG3 H 1 1.53 0.03 . 2 . . . . . . . . 4081 1 1044 . 1 1 83 83 LYS HE2 H 1 3.09 0.03 . 2 . . . . . . . . 4081 1 1045 . 1 1 83 83 LYS HE3 H 1 3.09 0.03 . 2 . . . . . . . . 4081 1 1046 . 1 1 83 83 LYS C C 13 178.65 0.12 . 1 . . . . . . . . 4081 1 1047 . 1 1 83 83 LYS CA C 13 59.36 0.12 . 1 . . . . . . . . 4081 1 1048 . 1 1 83 83 LYS CB C 13 33.18 0.12 . 1 . . . . . . . . 4081 1 1049 . 1 1 83 83 LYS CG C 13 29.63 0.12 . 1 . . . . . . . . 4081 1 1050 . 1 1 83 83 LYS CE C 13 38.78 0.12 . 1 . . . . . . . . 4081 1 1051 . 1 1 83 83 LYS N N 15 118.94 0.15 . 1 . . . . . . . . 4081 1 1052 . 1 1 84 84 PHE H H 1 8.49 0.03 . 1 . . . . . . . . 4081 1 1053 . 1 1 84 84 PHE HA H 1 4.05 0.03 . 1 . . . . . . . . 4081 1 1054 . 1 1 84 84 PHE HB2 H 1 3.10 0.03 . 1 . . . . . . . . 4081 1 1055 . 1 1 84 84 PHE HB3 H 1 2.76 0.03 . 1 . . . . . . . . 4081 1 1056 . 1 1 84 84 PHE HD1 H 1 6.68 0.03 . 3 . . . . . . . . 4081 1 1057 . 1 1 84 84 PHE HD2 H 1 6.68 0.03 . 3 . . . . . . . . 4081 1 1058 . 1 1 84 84 PHE HE1 H 1 6.46 0.03 . 3 . . . . . . . . 4081 1 1059 . 1 1 84 84 PHE HE2 H 1 6.46 0.03 . 3 . . . . . . . . 4081 1 1060 . 1 1 84 84 PHE HZ H 1 6.20 0.03 . 1 . . . . . . . . 4081 1 1061 . 1 1 84 84 PHE C C 13 177.26 0.12 . 1 . . . . . . . . 4081 1 1062 . 1 1 84 84 PHE CA C 13 60.33 0.12 . 1 . . . . . . . . 4081 1 1063 . 1 1 84 84 PHE CB C 13 39.44 0.12 . 1 . . . . . . . . 4081 1 1064 . 1 1 84 84 PHE CD1 C 13 130.20 0.12 . 3 . . . . . . . . 4081 1 1065 . 1 1 84 84 PHE CD2 C 13 130.20 0.12 . 3 . . . . . . . . 4081 1 1066 . 1 1 84 84 PHE CE1 C 13 130.90 0.12 . 3 . . . . . . . . 4081 1 1067 . 1 1 84 84 PHE CE2 C 13 130.90 0.12 . 3 . . . . . . . . 4081 1 1068 . 1 1 84 84 PHE CZ C 13 128.40 0.12 . 1 . . . . . . . . 4081 1 1069 . 1 1 84 84 PHE N N 15 123.57 0.15 . 1 . . . . . . . . 4081 1 1070 . 1 1 85 85 TYR H H 1 9.03 0.03 . 1 . . . . . . . . 4081 1 1071 . 1 1 85 85 TYR HA H 1 4.07 0.03 . 1 . . . . . . . . 4081 1 1072 . 1 1 85 85 TYR HB2 H 1 3.25 0.03 . 2 . . . . . . . . 4081 1 1073 . 1 1 85 85 TYR HB3 H 1 3.25 0.03 . 2 . . . . . . . . 4081 1 1074 . 1 1 85 85 TYR HD1 H 1 6.88 0.03 . 3 . . . . . . . . 4081 1 1075 . 1 1 85 85 TYR HD2 H 1 6.88 0.03 . 3 . . . . . . . . 4081 1 1076 . 1 1 85 85 TYR HE1 H 1 6.49 0.03 . 3 . . . . . . . . 4081 1 1077 . 1 1 85 85 TYR HE2 H 1 6.49 0.03 . 3 . . . . . . . . 4081 1 1078 . 1 1 85 85 TYR C C 13 178.15 0.12 . 1 . . . . . . . . 4081 1 1079 . 1 1 85 85 TYR CA C 13 58.65 0.12 . 1 . . . . . . . . 4081 1 1080 . 1 1 85 85 TYR CB C 13 36.83 0.12 . 1 . . . . . . . . 4081 1 1081 . 1 1 85 85 TYR CD1 C 13 132.30 0.12 . 3 . . . . . . . . 4081 1 1082 . 1 1 85 85 TYR CD2 C 13 132.30 0.12 . 3 . . . . . . . . 4081 1 1083 . 1 1 85 85 TYR N N 15 118.02 0.15 . 1 . . . . . . . . 4081 1 1084 . 1 1 86 86 THR H H 1 7.62 0.03 . 1 . . . . . . . . 4081 1 1085 . 1 1 86 86 THR HA H 1 4.00 0.03 . 1 . . . . . . . . 4081 1 1086 . 1 1 86 86 THR HB H 1 4.31 0.03 . 1 . . . . . . . . 4081 1 1087 . 1 1 86 86 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 4081 1 1088 . 1 1 86 86 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 4081 1 1089 . 1 1 86 86 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 4081 1 1090 . 1 1 86 86 THR C C 13 176.82 0.12 . 1 . . . . . . . . 4081 1 1091 . 1 1 86 86 THR CA C 13 66.97 0.12 . 1 . . . . . . . . 4081 1 1092 . 1 1 86 86 THR CB C 13 68.79 0.12 . 1 . . . . . . . . 4081 1 1093 . 1 1 86 86 THR CG2 C 13 21.79 0.12 . 1 . . . . . . . . 4081 1 1094 . 1 1 86 86 THR N N 15 113.68 0.15 . 1 . . . . . . . . 4081 1 1095 . 1 1 87 87 GLU H H 1 7.69 0.03 . 1 . . . . . . . . 4081 1 1096 . 1 1 87 87 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4081 1 1097 . 1 1 87 87 GLU HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4081 1 1098 . 1 1 87 87 GLU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4081 1 1099 . 1 1 87 87 GLU HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 1100 . 1 1 87 87 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 1101 . 1 1 87 87 GLU C C 13 180.01 0.12 . 1 . . . . . . . . 4081 1 1102 . 1 1 87 87 GLU CA C 13 58.38 0.12 . 1 . . . . . . . . 4081 1 1103 . 1 1 87 87 GLU CB C 13 28.60 0.12 . 1 . . . . . . . . 4081 1 1104 . 1 1 87 87 GLU CG C 13 34.70 0.12 . 1 . . . . . . . . 4081 1 1105 . 1 1 87 87 GLU N N 15 120.33 0.15 . 1 . . . . . . . . 4081 1 1106 . 1 1 88 88 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 4081 1 1107 . 1 1 88 88 LEU HA H 1 3.74 0.03 . 1 . . . . . . . . 4081 1 1108 . 1 1 88 88 LEU HB2 H 1 1.75 0.03 . 1 . . . . . . . . 4081 1 1109 . 1 1 88 88 LEU HB3 H 1 0.95 0.03 . 1 . . . . . . . . 4081 1 1110 . 1 1 88 88 LEU HG H 1 1.16 0.03 . 1 . . . . . . . . 4081 1 1111 . 1 1 88 88 LEU HD11 H 1 0.11 0.03 . 1 . . . . . . . . 4081 1 1112 . 1 1 88 88 LEU HD12 H 1 0.11 0.03 . 1 . . . . . . . . 4081 1 1113 . 1 1 88 88 LEU HD13 H 1 0.11 0.03 . 1 . . . . . . . . 4081 1 1114 . 1 1 88 88 LEU HD21 H 1 0.31 0.03 . 1 . . . . . . . . 4081 1 1115 . 1 1 88 88 LEU HD22 H 1 0.31 0.03 . 1 . . . . . . . . 4081 1 1116 . 1 1 88 88 LEU HD23 H 1 0.31 0.03 . 1 . . . . . . . . 4081 1 1117 . 1 1 88 88 LEU C C 13 178.74 0.12 . 1 . . . . . . . . 4081 1 1118 . 1 1 88 88 LEU CA C 13 58.08 0.12 . 1 . . . . . . . . 4081 1 1119 . 1 1 88 88 LEU CB C 13 41.37 0.12 . 1 . . . . . . . . 4081 1 1120 . 1 1 88 88 LEU CG C 13 25.93 0.12 . 1 . . . . . . . . 4081 1 1121 . 1 1 88 88 LEU CD1 C 13 26.13 0.12 . 1 . . . . . . . . 4081 1 1122 . 1 1 88 88 LEU CD2 C 13 21.52 0.12 . 1 . . . . . . . . 4081 1 1123 . 1 1 88 88 LEU N N 15 120.36 0.15 . 1 . . . . . . . . 4081 1 1124 . 1 1 89 89 TYR H H 1 8.69 0.03 . 1 . . . . . . . . 4081 1 1125 . 1 1 89 89 TYR HA H 1 4.02 0.03 . 1 . . . . . . . . 4081 1 1126 . 1 1 89 89 TYR HB2 H 1 3.04 0.03 . 2 . . . . . . . . 4081 1 1127 . 1 1 89 89 TYR HB3 H 1 3.04 0.03 . 2 . . . . . . . . 4081 1 1128 . 1 1 89 89 TYR HD1 H 1 6.89 0.03 . 3 . . . . . . . . 4081 1 1129 . 1 1 89 89 TYR HD2 H 1 6.89 0.03 . 3 . . . . . . . . 4081 1 1130 . 1 1 89 89 TYR HE1 H 1 6.45 0.03 . 3 . . . . . . . . 4081 1 1131 . 1 1 89 89 TYR HE2 H 1 6.45 0.03 . 3 . . . . . . . . 4081 1 1132 . 1 1 89 89 TYR C C 13 178.48 0.12 . 1 . . . . . . . . 4081 1 1133 . 1 1 89 89 TYR CA C 13 61.30 0.12 . 1 . . . . . . . . 4081 1 1134 . 1 1 89 89 TYR CB C 13 37.83 0.12 . 1 . . . . . . . . 4081 1 1135 . 1 1 89 89 TYR CE1 C 13 118.05 0.12 . 3 . . . . . . . . 4081 1 1136 . 1 1 89 89 TYR CE2 C 13 118.05 0.12 . 3 . . . . . . . . 4081 1 1137 . 1 1 89 89 TYR N N 15 118.29 0.15 . 1 . . . . . . . . 4081 1 1138 . 1 1 90 90 GLN H H 1 7.74 0.03 . 1 . . . . . . . . 4081 1 1139 . 1 1 90 90 GLN HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1140 . 1 1 90 90 GLN HB2 H 1 2.20 0.03 . 2 . . . . . . . . 4081 1 1141 . 1 1 90 90 GLN HB3 H 1 2.20 0.03 . 2 . . . . . . . . 4081 1 1142 . 1 1 90 90 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 4081 1 1143 . 1 1 90 90 GLN HG3 H 1 2.48 0.03 . 2 . . . . . . . . 4081 1 1144 . 1 1 90 90 GLN HE21 H 1 6.83 0.03 . 2 . . . . . . . . 4081 1 1145 . 1 1 90 90 GLN HE22 H 1 7.48 0.03 . 2 . . . . . . . . 4081 1 1146 . 1 1 90 90 GLN C C 13 178.45 0.12 . 1 . . . . . . . . 4081 1 1147 . 1 1 90 90 GLN CA C 13 59.07 0.12 . 1 . . . . . . . . 4081 1 1148 . 1 1 90 90 GLN CB C 13 28.37 0.12 . 1 . . . . . . . . 4081 1 1149 . 1 1 90 90 GLN CG C 13 34.26 0.12 . 1 . . . . . . . . 4081 1 1150 . 1 1 90 90 GLN N N 15 117.83 0.15 . 1 . . . . . . . . 4081 1 1151 . 1 1 90 90 GLN NE2 N 15 112.80 0.15 . 1 . . . . . . . . 4081 1 1152 . 1 1 91 91 GLN H H 1 7.70 0.03 . 1 . . . . . . . . 4081 1 1153 . 1 1 91 91 GLN HA H 1 4.10 0.03 . 1 . . . . . . . . 4081 1 1154 . 1 1 91 91 GLN HG2 H 1 2.30 0.03 . 2 . . . . . . . . 4081 1 1155 . 1 1 91 91 GLN HG3 H 1 2.30 0.03 . 2 . . . . . . . . 4081 1 1156 . 1 1 91 91 GLN C C 13 178.77 0.12 . 1 . . . . . . . . 4081 1 1157 . 1 1 91 91 GLN CA C 13 59.28 0.12 . 1 . . . . . . . . 4081 1 1158 . 1 1 91 91 GLN CB C 13 29.63 0.12 . 1 . . . . . . . . 4081 1 1159 . 1 1 91 91 GLN N N 15 117.53 0.15 . 1 . . . . . . . . 4081 1 1160 . 1 1 92 92 LEU H H 1 8.46 0.03 . 1 . . . . . . . . 4081 1 1161 . 1 1 92 92 LEU HA H 1 3.76 0.03 . 1 . . . . . . . . 4081 1 1162 . 1 1 92 92 LEU HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4081 1 1163 . 1 1 92 92 LEU HB3 H 1 1.43 0.03 . 2 . . . . . . . . 4081 1 1164 . 1 1 92 92 LEU HG H 1 1.50 0.03 . 1 . . . . . . . . 4081 1 1165 . 1 1 92 92 LEU HD11 H 1 0.37 0.03 . 1 . . . . . . . . 4081 1 1166 . 1 1 92 92 LEU HD12 H 1 0.37 0.03 . 1 . . . . . . . . 4081 1 1167 . 1 1 92 92 LEU HD13 H 1 0.37 0.03 . 1 . . . . . . . . 4081 1 1168 . 1 1 92 92 LEU HD21 H 1 0.36 0.03 . 1 . . . . . . . . 4081 1 1169 . 1 1 92 92 LEU HD22 H 1 0.36 0.03 . 1 . . . . . . . . 4081 1 1170 . 1 1 92 92 LEU HD23 H 1 0.36 0.03 . 1 . . . . . . . . 4081 1 1171 . 1 1 92 92 LEU C C 13 178.39 0.12 . 1 . . . . . . . . 4081 1 1172 . 1 1 92 92 LEU CA C 13 58.90 0.12 . 1 . . . . . . . . 4081 1 1173 . 1 1 92 92 LEU CB C 13 41.40 0.12 . 1 . . . . . . . . 4081 1 1174 . 1 1 92 92 LEU CG C 13 26.49 0.12 . 1 . . . . . . . . 4081 1 1175 . 1 1 92 92 LEU CD1 C 13 24.49 0.12 . 1 . . . . . . . . 4081 1 1176 . 1 1 92 92 LEU CD2 C 13 23.85 0.12 . 1 . . . . . . . . 4081 1 1177 . 1 1 92 92 LEU N N 15 119.44 0.15 . 1 . . . . . . . . 4081 1 1178 . 1 1 93 93 ASN H H 1 8.15 0.03 . 1 . . . . . . . . 4081 1 1179 . 1 1 93 93 ASN HA H 1 4.32 0.03 . 1 . . . . . . . . 4081 1 1180 . 1 1 93 93 ASN HB2 H 1 2.74 0.03 . 2 . . . . . . . . 4081 1 1181 . 1 1 93 93 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 4081 1 1182 . 1 1 93 93 ASN HD21 H 1 6.41 0.03 . 2 . . . . . . . . 4081 1 1183 . 1 1 93 93 ASN HD22 H 1 7.37 0.03 . 2 . . . . . . . . 4081 1 1184 . 1 1 93 93 ASN C C 13 176.68 0.12 . 1 . . . . . . . . 4081 1 1185 . 1 1 93 93 ASN CA C 13 56.19 0.12 . 1 . . . . . . . . 4081 1 1186 . 1 1 93 93 ASN CB C 13 38.35 0.12 . 1 . . . . . . . . 4081 1 1187 . 1 1 93 93 ASN N N 15 117.55 0.15 . 1 . . . . . . . . 4081 1 1188 . 1 1 93 93 ASN ND2 N 15 111.48 0.15 . 1 . . . . . . . . 4081 1 1189 . 1 1 94 94 ASP H H 1 8.32 0.03 . 1 . . . . . . . . 4081 1 1190 . 1 1 94 94 ASP HA H 1 4.43 0.03 . 1 . . . . . . . . 4081 1 1191 . 1 1 94 94 ASP HB2 H 1 2.72 0.03 . 1 . . . . . . . . 4081 1 1192 . 1 1 94 94 ASP HB3 H 1 2.96 0.03 . 1 . . . . . . . . 4081 1 1193 . 1 1 94 94 ASP C C 13 178.45 0.12 . 1 . . . . . . . . 4081 1 1194 . 1 1 94 94 ASP CA C 13 56.81 0.12 . 1 . . . . . . . . 4081 1 1195 . 1 1 94 94 ASP CB C 13 39.77 0.12 . 1 . . . . . . . . 4081 1 1196 . 1 1 94 94 ASP N N 15 120.48 0.15 . 1 . . . . . . . . 4081 1 1197 . 1 1 95 95 LEU H H 1 8.02 0.03 . 1 . . . . . . . . 4081 1 1198 . 1 1 95 95 LEU HA H 1 4.06 0.03 . 1 . . . . . . . . 4081 1 1199 . 1 1 95 95 LEU HB2 H 1 1.46 0.03 . 1 . . . . . . . . 4081 1 1200 . 1 1 95 95 LEU HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4081 1 1201 . 1 1 95 95 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 4081 1 1202 . 1 1 95 95 LEU HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1203 . 1 1 95 95 LEU HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1204 . 1 1 95 95 LEU HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1205 . 1 1 95 95 LEU HD21 H 1 0.95 0.03 . 1 . . . . . . . . 4081 1 1206 . 1 1 95 95 LEU HD22 H 1 0.95 0.03 . 1 . . . . . . . . 4081 1 1207 . 1 1 95 95 LEU HD23 H 1 0.95 0.03 . 1 . . . . . . . . 4081 1 1208 . 1 1 95 95 LEU C C 13 178.74 0.12 . 1 . . . . . . . . 4081 1 1209 . 1 1 95 95 LEU CA C 13 57.49 0.12 . 1 . . . . . . . . 4081 1 1210 . 1 1 95 95 LEU CB C 13 42.55 0.12 . 1 . . . . . . . . 4081 1 1211 . 1 1 95 95 LEU CG C 13 26.94 0.12 . 1 . . . . . . . . 4081 1 1212 . 1 1 95 95 LEU CD1 C 13 26.49 0.12 . 1 . . . . . . . . 4081 1 1213 . 1 1 95 95 LEU CD2 C 13 23.76 0.12 . 1 . . . . . . . . 4081 1 1214 . 1 1 95 95 LEU N N 15 118.46 0.15 . 1 . . . . . . . . 4081 1 1215 . 1 1 96 96 GLU H H 1 8.16 0.03 . 1 . . . . . . . . 4081 1 1216 . 1 1 96 96 GLU HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1217 . 1 1 96 96 GLU HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4081 1 1218 . 1 1 96 96 GLU HB3 H 1 2.09 0.03 . 2 . . . . . . . . 4081 1 1219 . 1 1 96 96 GLU HG2 H 1 2.46 0.03 . 2 . . . . . . . . 4081 1 1220 . 1 1 96 96 GLU HG3 H 1 2.46 0.03 . 2 . . . . . . . . 4081 1 1221 . 1 1 96 96 GLU C C 13 177.62 0.12 . 1 . . . . . . . . 4081 1 1222 . 1 1 96 96 GLU CA C 13 57.75 0.12 . 1 . . . . . . . . 4081 1 1223 . 1 1 96 96 GLU CB C 13 28.16 0.12 . 1 . . . . . . . . 4081 1 1224 . 1 1 96 96 GLU CG C 13 33.65 0.12 . 1 . . . . . . . . 4081 1 1225 . 1 1 96 96 GLU N N 15 118.66 0.15 . 1 . . . . . . . . 4081 1 1226 . 1 1 97 97 ALA H H 1 7.80 0.03 . 1 . . . . . . . . 4081 1 1227 . 1 1 97 97 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 4081 1 1228 . 1 1 97 97 ALA HB1 H 1 1.50 0.03 . 1 . . . . . . . . 4081 1 1229 . 1 1 97 97 ALA HB2 H 1 1.50 0.03 . 1 . . . . . . . . 4081 1 1230 . 1 1 97 97 ALA HB3 H 1 1.50 0.03 . 1 . . . . . . . . 4081 1 1231 . 1 1 97 97 ALA C C 13 179.20 0.12 . 1 . . . . . . . . 4081 1 1232 . 1 1 97 97 ALA CA C 13 54.40 0.12 . 1 . . . . . . . . 4081 1 1233 . 1 1 97 97 ALA CB C 13 18.16 0.12 . 1 . . . . . . . . 4081 1 1234 . 1 1 97 97 ALA N N 15 120.47 0.15 . 1 . . . . . . . . 4081 1 1235 . 1 1 98 98 CYS H H 1 7.62 0.03 . 1 . . . . . . . . 4081 1 1236 . 1 1 98 98 CYS HA H 1 4.53 0.03 . 1 . . . . . . . . 4081 1 1237 . 1 1 98 98 CYS HB2 H 1 3.28 0.03 . 1 . . . . . . . . 4081 1 1238 . 1 1 98 98 CYS HB3 H 1 3.19 0.03 . 1 . . . . . . . . 4081 1 1239 . 1 1 98 98 CYS C C 13 175.33 0.12 . 1 . . . . . . . . 4081 1 1240 . 1 1 98 98 CYS CA C 13 57.40 0.12 . 1 . . . . . . . . 4081 1 1241 . 1 1 98 98 CYS CB C 13 42.40 0.12 . 1 . . . . . . . . 4081 1 1242 . 1 1 98 98 CYS N N 15 114.50 0.15 . 1 . . . . . . . . 4081 1 1243 . 1 1 99 99 VAL H H 1 7.83 0.03 . 1 . . . . . . . . 4081 1 1244 . 1 1 99 99 VAL HA H 1 3.84 0.03 . 1 . . . . . . . . 4081 1 1245 . 1 1 99 99 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4081 1 1246 . 1 1 99 99 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 1247 . 1 1 99 99 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 1248 . 1 1 99 99 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 4081 1 1249 . 1 1 99 99 VAL HG21 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1250 . 1 1 99 99 VAL HG22 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1251 . 1 1 99 99 VAL HG23 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 1252 . 1 1 99 99 VAL C C 13 177.53 0.12 . 1 . . . . . . . . 4081 1 1253 . 1 1 99 99 VAL CA C 13 64.47 0.12 . 1 . . . . . . . . 4081 1 1254 . 1 1 99 99 VAL CB C 13 32.09 0.12 . 1 . . . . . . . . 4081 1 1255 . 1 1 99 99 VAL CG1 C 13 21.16 0.12 . 1 . . . . . . . . 4081 1 1256 . 1 1 99 99 VAL CG2 C 13 21.84 0.12 . 1 . . . . . . . . 4081 1 1257 . 1 1 99 99 VAL N N 15 121.27 0.15 . 1 . . . . . . . . 4081 1 1258 . 1 1 100 100 ILE H H 1 8.12 0.03 . 1 . . . . . . . . 4081 1 1259 . 1 1 100 100 ILE HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1260 . 1 1 100 100 ILE HB H 1 1.89 0.03 . 1 . . . . . . . . 4081 1 1261 . 1 1 100 100 ILE HG12 H 1 1.22 0.03 . 1 . . . . . . . . 4081 1 1262 . 1 1 100 100 ILE HG13 H 1 1.50 0.03 . 1 . . . . . . . . 4081 1 1263 . 1 1 100 100 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1264 . 1 1 100 100 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1265 . 1 1 100 100 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1266 . 1 1 100 100 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1267 . 1 1 100 100 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1268 . 1 1 100 100 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1269 . 1 1 100 100 ILE C C 13 176.86 0.12 . 1 . . . . . . . . 4081 1 1270 . 1 1 100 100 ILE CA C 13 62.28 0.12 . 1 . . . . . . . . 4081 1 1271 . 1 1 100 100 ILE CB C 13 38.24 0.12 . 1 . . . . . . . . 4081 1 1272 . 1 1 100 100 ILE CG1 C 13 27.96 0.12 . 1 . . . . . . . . 4081 1 1273 . 1 1 100 100 ILE CG2 C 13 17.55 0.12 . 1 . . . . . . . . 4081 1 1274 . 1 1 100 100 ILE CD1 C 13 12.83 0.12 . 1 . . . . . . . . 4081 1 1275 . 1 1 100 100 ILE N N 15 122.43 0.15 . 1 . . . . . . . . 4081 1 1276 . 1 1 101 101 GLN H H 1 8.06 0.03 . 1 . . . . . . . . 4081 1 1277 . 1 1 101 101 GLN HA H 1 4.25 0.03 . 1 . . . . . . . . 4081 1 1278 . 1 1 101 101 GLN HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 1279 . 1 1 101 101 GLN HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4081 1 1280 . 1 1 101 101 GLN HG2 H 1 2.43 0.03 . 2 . . . . . . . . 4081 1 1281 . 1 1 101 101 GLN HG3 H 1 2.43 0.03 . 2 . . . . . . . . 4081 1 1282 . 1 1 101 101 GLN HE21 H 1 6.89 0.03 . 2 . . . . . . . . 4081 1 1283 . 1 1 101 101 GLN HE22 H 1 7.46 0.03 . 2 . . . . . . . . 4081 1 1284 . 1 1 101 101 GLN C C 13 176.48 0.12 . 1 . . . . . . . . 4081 1 1285 . 1 1 101 101 GLN CA C 13 56.42 0.12 . 1 . . . . . . . . 4081 1 1286 . 1 1 101 101 GLN CB C 13 29.29 0.12 . 1 . . . . . . . . 4081 1 1287 . 1 1 101 101 GLN CG C 13 33.84 0.12 . 1 . . . . . . . . 4081 1 1288 . 1 1 101 101 GLN N N 15 121.38 0.15 . 1 . . . . . . . . 4081 1 1289 . 1 1 101 101 GLN NE2 N 15 111.62 0.15 . 1 . . . . . . . . 4081 1 1290 . 1 1 102 102 GLY H H 1 8.12 0.03 . 1 . . . . . . . . 4081 1 1291 . 1 1 102 102 GLY HA2 H 1 4.02 0.03 . 2 . . . . . . . . 4081 1 1292 . 1 1 102 102 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 4081 1 1293 . 1 1 102 102 GLY C C 13 174.14 0.12 . 1 . . . . . . . . 4081 1 1294 . 1 1 102 102 GLY CA C 13 45.53 0.12 . 1 . . . . . . . . 4081 1 1295 . 1 1 102 102 GLY N N 15 108.67 0.15 . 1 . . . . . . . . 4081 1 1296 . 1 1 103 103 VAL H H 1 8.01 0.03 . 1 . . . . . . . . 4081 1 1297 . 1 1 103 103 VAL HA H 1 4.11 0.03 . 1 . . . . . . . . 4081 1 1298 . 1 1 103 103 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4081 1 1299 . 1 1 103 103 VAL HG11 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1300 . 1 1 103 103 VAL HG12 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1301 . 1 1 103 103 VAL HG13 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1302 . 1 1 103 103 VAL HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1303 . 1 1 103 103 VAL HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1304 . 1 1 103 103 VAL HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4081 1 1305 . 1 1 103 103 VAL C C 13 176.42 0.12 . 1 . . . . . . . . 4081 1 1306 . 1 1 103 103 VAL CA C 13 62.50 0.12 . 1 . . . . . . . . 4081 1 1307 . 1 1 103 103 VAL CB C 13 32.59 0.12 . 1 . . . . . . . . 4081 1 1308 . 1 1 103 103 VAL CG1 C 13 21.41 0.12 . 1 . . . . . . . . 4081 1 1309 . 1 1 103 103 VAL CG2 C 13 20.66 0.12 . 1 . . . . . . . . 4081 1 1310 . 1 1 103 103 VAL N N 15 119.43 0.15 . 1 . . . . . . . . 4081 1 1311 . 1 1 104 104 GLY H H 1 8.51 0.03 . 1 . . . . . . . . 4081 1 1312 . 1 1 104 104 GLY HA2 H 1 4.02 0.03 . 2 . . . . . . . . 4081 1 1313 . 1 1 104 104 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 4081 1 1314 . 1 1 104 104 GLY C C 13 174.28 0.12 . 1 . . . . . . . . 4081 1 1315 . 1 1 104 104 GLY CA C 13 45.55 0.12 . 1 . . . . . . . . 4081 1 1316 . 1 1 104 104 GLY N N 15 111.92 0.15 . 1 . . . . . . . . 4081 1 1317 . 1 1 105 105 VAL H H 1 7.86 0.03 . 1 . . . . . . . . 4081 1 1318 . 1 1 105 105 VAL HA H 1 4.19 0.03 . 1 . . . . . . . . 4081 1 1319 . 1 1 105 105 VAL HB H 1 2.11 0.03 . 1 . . . . . . . . 4081 1 1320 . 1 1 105 105 VAL HG11 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1321 . 1 1 105 105 VAL HG12 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1322 . 1 1 105 105 VAL HG13 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1323 . 1 1 105 105 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1324 . 1 1 105 105 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1325 . 1 1 105 105 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1326 . 1 1 105 105 VAL C C 13 176.35 0.12 . 1 . . . . . . . . 4081 1 1327 . 1 1 105 105 VAL CA C 13 62.09 0.12 . 1 . . . . . . . . 4081 1 1328 . 1 1 105 105 VAL CB C 13 32.75 0.12 . 1 . . . . . . . . 4081 1 1329 . 1 1 105 105 VAL CG1 C 13 21.33 0.12 . 1 . . . . . . . . 4081 1 1330 . 1 1 105 105 VAL CG2 C 13 20.43 0.12 . 1 . . . . . . . . 4081 1 1331 . 1 1 105 105 VAL N N 15 118.10 0.15 . 1 . . . . . . . . 4081 1 1332 . 1 1 106 106 THR H H 1 8.21 0.03 . 1 . . . . . . . . 4081 1 1333 . 1 1 106 106 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 4081 1 1334 . 1 1 106 106 THR HB H 1 4.20 0.03 . 1 . . . . . . . . 4081 1 1335 . 1 1 106 106 THR HG21 H 1 1.16 0.03 . 1 . . . . . . . . 4081 1 1336 . 1 1 106 106 THR HG22 H 1 1.16 0.03 . 1 . . . . . . . . 4081 1 1337 . 1 1 106 106 THR HG23 H 1 1.16 0.03 . 1 . . . . . . . . 4081 1 1338 . 1 1 106 106 THR C C 13 174.31 0.12 . 1 . . . . . . . . 4081 1 1339 . 1 1 106 106 THR CA C 13 61.97 0.12 . 1 . . . . . . . . 4081 1 1340 . 1 1 106 106 THR CB C 13 69.62 0.12 . 1 . . . . . . . . 4081 1 1341 . 1 1 106 106 THR CG2 C 13 21.67 0.12 . 1 . . . . . . . . 4081 1 1342 . 1 1 106 106 THR N N 15 116.54 0.15 . 1 . . . . . . . . 4081 1 1343 . 1 1 107 107 GLU H H 1 8.21 0.03 . 1 . . . . . . . . 4081 1 1344 . 1 1 107 107 GLU HA H 1 4.48 0.03 . 1 . . . . . . . . 4081 1 1345 . 1 1 107 107 GLU HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4081 1 1346 . 1 1 107 107 GLU HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4081 1 1347 . 1 1 107 107 GLU HG2 H 1 2.39 0.03 . 2 . . . . . . . . 4081 1 1348 . 1 1 107 107 GLU HG3 H 1 2.39 0.03 . 2 . . . . . . . . 4081 1 1349 . 1 1 107 107 GLU C C 13 175.77 0.12 . 1 . . . . . . . . 4081 1 1350 . 1 1 107 107 GLU CA C 13 55.74 0.12 . 1 . . . . . . . . 4081 1 1351 . 1 1 107 107 GLU CB C 13 29.66 0.12 . 1 . . . . . . . . 4081 1 1352 . 1 1 107 107 GLU CG C 13 33.55 0.12 . 1 . . . . . . . . 4081 1 1353 . 1 1 107 107 GLU N N 15 122.39 0.15 . 1 . . . . . . . . 4081 1 1354 . 1 1 108 108 THR H H 1 8.15 0.03 . 1 . . . . . . . . 4081 1 1355 . 1 1 108 108 THR HA H 1 4.59 0.03 . 1 . . . . . . . . 4081 1 1356 . 1 1 108 108 THR HB H 1 4.42 0.03 . 1 . . . . . . . . 4081 1 1357 . 1 1 108 108 THR HG21 H 1 1.29 0.03 . 1 . . . . . . . . 4081 1 1358 . 1 1 108 108 THR HG22 H 1 1.29 0.03 . 1 . . . . . . . . 4081 1 1359 . 1 1 108 108 THR HG23 H 1 1.29 0.03 . 1 . . . . . . . . 4081 1 1360 . 1 1 108 108 THR CA C 13 60.35 0.12 . 1 . . . . . . . . 4081 1 1361 . 1 1 108 108 THR CB C 13 68.99 0.12 . 1 . . . . . . . . 4081 1 1362 . 1 1 108 108 THR CG2 C 13 21.79 0.12 . 1 . . . . . . . . 4081 1 1363 . 1 1 108 108 THR N N 15 116.44 0.15 . 1 . . . . . . . . 4081 1 1364 . 1 1 109 109 PRO HA H 1 4.30 0.03 . 1 . . . . . . . . 4081 1 1365 . 1 1 109 109 PRO HB2 H 1 2.34 0.03 . 2 . . . . . . . . 4081 1 1366 . 1 1 109 109 PRO HB3 H 1 1.90 0.03 . 2 . . . . . . . . 4081 1 1367 . 1 1 109 109 PRO HG2 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 1368 . 1 1 109 109 PRO HG3 H 1 1.92 0.03 . 2 . . . . . . . . 4081 1 1369 . 1 1 109 109 PRO HD2 H 1 3.80 0.03 . 2 . . . . . . . . 4081 1 1370 . 1 1 109 109 PRO HD3 H 1 3.80 0.03 . 2 . . . . . . . . 4081 1 1371 . 1 1 109 109 PRO C C 13 177.89 0.12 . 1 . . . . . . . . 4081 1 1372 . 1 1 109 109 PRO CA C 13 64.58 0.12 . 1 . . . . . . . . 4081 1 1373 . 1 1 109 109 PRO CB C 13 32.00 0.12 . 1 . . . . . . . . 4081 1 1374 . 1 1 109 109 PRO CG C 13 27.58 0.12 . 1 . . . . . . . . 4081 1 1375 . 1 1 109 109 PRO CD C 13 50.91 0.12 . 1 . . . . . . . . 4081 1 1376 . 1 1 110 110 LEU H H 1 8.06 0.03 . 1 . . . . . . . . 4081 1 1377 . 1 1 110 110 LEU HA H 1 4.18 0.03 . 1 . . . . . . . . 4081 1 1378 . 1 1 110 110 LEU HB2 H 1 1.58 0.03 . 2 . . . . . . . . 4081 1 1379 . 1 1 110 110 LEU HB3 H 1 1.58 0.03 . 2 . . . . . . . . 4081 1 1380 . 1 1 110 110 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1381 . 1 1 110 110 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1382 . 1 1 110 110 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4081 1 1383 . 1 1 110 110 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1384 . 1 1 110 110 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1385 . 1 1 110 110 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1386 . 1 1 110 110 LEU C C 13 177.99 0.12 . 1 . . . . . . . . 4081 1 1387 . 1 1 110 110 LEU CA C 13 56.74 0.12 . 1 . . . . . . . . 4081 1 1388 . 1 1 110 110 LEU CB C 13 42.08 0.12 . 1 . . . . . . . . 4081 1 1389 . 1 1 110 110 LEU CG C 13 26.99 0.12 . 1 . . . . . . . . 4081 1 1390 . 1 1 110 110 LEU CD1 C 13 24.38 0.12 . 1 . . . . . . . . 4081 1 1391 . 1 1 110 110 LEU CD2 C 13 24.21 0.12 . 1 . . . . . . . . 4081 1 1392 . 1 1 110 110 LEU N N 15 119.37 0.15 . 1 . . . . . . . . 4081 1 1393 . 1 1 111 111 MET H H 1 7.88 0.03 . 1 . . . . . . . . 4081 1 1394 . 1 1 111 111 MET HA H 1 4.28 0.03 . 1 . . . . . . . . 4081 1 1395 . 1 1 111 111 MET HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4081 1 1396 . 1 1 111 111 MET HB3 H 1 2.08 0.03 . 2 . . . . . . . . 4081 1 1397 . 1 1 111 111 MET HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4081 1 1398 . 1 1 111 111 MET HG3 H 1 2.55 0.03 . 2 . . . . . . . . 4081 1 1399 . 1 1 111 111 MET HE1 H 1 2.08 0.03 . 1 . . . . . . . . 4081 1 1400 . 1 1 111 111 MET HE2 H 1 2.08 0.03 . 1 . . . . . . . . 4081 1 1401 . 1 1 111 111 MET HE3 H 1 2.08 0.03 . 1 . . . . . . . . 4081 1 1402 . 1 1 111 111 MET C C 13 177.64 0.12 . 1 . . . . . . . . 4081 1 1403 . 1 1 111 111 MET CA C 13 57.15 0.12 . 1 . . . . . . . . 4081 1 1404 . 1 1 111 111 MET CB C 13 32.75 0.12 . 1 . . . . . . . . 4081 1 1405 . 1 1 111 111 MET CG C 13 32.37 0.12 . 1 . . . . . . . . 4081 1 1406 . 1 1 111 111 MET CE C 13 17.21 0.12 . 1 . . . . . . . . 4081 1 1407 . 1 1 111 111 MET N N 15 119.03 0.15 . 1 . . . . . . . . 4081 1 1408 . 1 1 112 112 LYS H H 1 8.17 0.03 . 1 . . . . . . . . 4081 1 1409 . 1 1 112 112 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4081 1 1410 . 1 1 112 112 LYS HB2 H 1 1.89 0.03 . 2 . . . . . . . . 4081 1 1411 . 1 1 112 112 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 1412 . 1 1 112 112 LYS HE2 H 1 2.73 0.03 . 2 . . . . . . . . 4081 1 1413 . 1 1 112 112 LYS HE3 H 1 2.73 0.03 . 2 . . . . . . . . 4081 1 1414 . 1 1 112 112 LYS C C 13 178.27 0.12 . 1 . . . . . . . . 4081 1 1415 . 1 1 112 112 LYS CA C 13 56.56 0.12 . 1 . . . . . . . . 4081 1 1416 . 1 1 112 112 LYS CB C 13 38.34 0.12 . 1 . . . . . . . . 4081 1 1417 . 1 1 112 112 LYS N N 15 120.67 0.15 . 1 . . . . . . . . 4081 1 1418 . 1 1 113 113 GLU H H 1 8.31 0.03 . 1 . . . . . . . . 4081 1 1419 . 1 1 113 113 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4081 1 1420 . 1 1 113 113 GLU HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 1421 . 1 1 113 113 GLU HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 1422 . 1 1 113 113 GLU HG2 H 1 2.41 0.03 . 2 . . . . . . . . 4081 1 1423 . 1 1 113 113 GLU HG3 H 1 2.36 0.03 . 2 . . . . . . . . 4081 1 1424 . 1 1 113 113 GLU C C 13 177.75 0.12 . 1 . . . . . . . . 4081 1 1425 . 1 1 113 113 GLU CA C 13 57.93 0.12 . 1 . . . . . . . . 4081 1 1426 . 1 1 113 113 GLU CB C 13 28.74 0.12 . 1 . . . . . . . . 4081 1 1427 . 1 1 113 113 GLU CG C 13 33.73 0.12 . 1 . . . . . . . . 4081 1 1428 . 1 1 113 113 GLU N N 15 120.48 0.15 . 1 . . . . . . . . 4081 1 1429 . 1 1 114 114 ASP H H 1 8.60 0.03 . 1 . . . . . . . . 4081 1 1430 . 1 1 114 114 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 4081 1 1431 . 1 1 114 114 ASP HB2 H 1 2.76 0.03 . 2 . . . . . . . . 4081 1 1432 . 1 1 114 114 ASP HB3 H 1 2.76 0.03 . 2 . . . . . . . . 4081 1 1433 . 1 1 114 114 ASP C C 13 179.01 0.12 . 1 . . . . . . . . 4081 1 1434 . 1 1 114 114 ASP CA C 13 56.52 0.12 . 1 . . . . . . . . 4081 1 1435 . 1 1 114 114 ASP CB C 13 39.28 0.12 . 1 . . . . . . . . 4081 1 1436 . 1 1 114 114 ASP N N 15 119.38 0.15 . 1 . . . . . . . . 4081 1 1437 . 1 1 115 115 SER H H 1 8.14 0.03 . 1 . . . . . . . . 4081 1 1438 . 1 1 115 115 SER HA H 1 4.21 0.03 . 1 . . . . . . . . 4081 1 1439 . 1 1 115 115 SER HB2 H 1 3.80 0.03 . 2 . . . . . . . . 4081 1 1440 . 1 1 115 115 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4081 1 1441 . 1 1 115 115 SER C C 13 176.04 0.12 . 1 . . . . . . . . 4081 1 1442 . 1 1 115 115 SER CA C 13 61.46 0.12 . 1 . . . . . . . . 4081 1 1443 . 1 1 115 115 SER CB C 13 62.84 0.12 . 1 . . . . . . . . 4081 1 1444 . 1 1 115 115 SER N N 15 117.53 0.15 . 1 . . . . . . . . 4081 1 1445 . 1 1 116 116 ILE H H 1 7.63 0.03 . 1 . . . . . . . . 4081 1 1446 . 1 1 116 116 ILE HA H 1 3.67 0.03 . 1 . . . . . . . . 4081 1 1447 . 1 1 116 116 ILE HB H 1 2.06 0.03 . 1 . . . . . . . . 4081 1 1448 . 1 1 116 116 ILE HG12 H 1 1.21 0.03 . 1 . . . . . . . . 4081 1 1449 . 1 1 116 116 ILE HG13 H 1 1.62 0.03 . 1 . . . . . . . . 4081 1 1450 . 1 1 116 116 ILE HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 1451 . 1 1 116 116 ILE HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 1452 . 1 1 116 116 ILE HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 1453 . 1 1 116 116 ILE HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 1454 . 1 1 116 116 ILE HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 1455 . 1 1 116 116 ILE HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4081 1 1456 . 1 1 116 116 ILE C C 13 178.59 0.12 . 1 . . . . . . . . 4081 1 1457 . 1 1 116 116 ILE CA C 13 64.52 0.12 . 1 . . . . . . . . 4081 1 1458 . 1 1 116 116 ILE CB C 13 37.35 0.12 . 1 . . . . . . . . 4081 1 1459 . 1 1 116 116 ILE CG1 C 13 29.02 0.12 . 1 . . . . . . . . 4081 1 1460 . 1 1 116 116 ILE CG2 C 13 17.11 0.12 . 1 . . . . . . . . 4081 1 1461 . 1 1 116 116 ILE CD1 C 13 12.59 0.12 . 1 . . . . . . . . 4081 1 1462 . 1 1 116 116 ILE N N 15 122.40 0.15 . 1 . . . . . . . . 4081 1 1463 . 1 1 117 117 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 4081 1 1464 . 1 1 117 117 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . 4081 1 1465 . 1 1 117 117 LEU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4081 1 1466 . 1 1 117 117 LEU HB3 H 1 1.85 0.03 . 2 . . . . . . . . 4081 1 1467 . 1 1 117 117 LEU HG H 1 1.74 0.03 . 1 . . . . . . . . 4081 1 1468 . 1 1 117 117 LEU HD11 H 1 0.96 0.03 . 1 . . . . . . . . 4081 1 1469 . 1 1 117 117 LEU HD12 H 1 0.96 0.03 . 1 . . . . . . . . 4081 1 1470 . 1 1 117 117 LEU HD13 H 1 0.96 0.03 . 1 . . . . . . . . 4081 1 1471 . 1 1 117 117 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1472 . 1 1 117 117 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1473 . 1 1 117 117 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4081 1 1474 . 1 1 117 117 LEU C C 13 178.89 0.12 . 1 . . . . . . . . 4081 1 1475 . 1 1 117 117 LEU CA C 13 57.95 0.12 . 1 . . . . . . . . 4081 1 1476 . 1 1 117 117 LEU CB C 13 41.34 0.12 . 1 . . . . . . . . 4081 1 1477 . 1 1 117 117 LEU CG C 13 26.86 0.12 . 1 . . . . . . . . 4081 1 1478 . 1 1 117 117 LEU CD1 C 13 24.32 0.12 . 1 . . . . . . . . 4081 1 1479 . 1 1 117 117 LEU CD2 C 13 23.87 0.12 . 1 . . . . . . . . 4081 1 1480 . 1 1 117 117 LEU N N 15 120.68 0.15 . 1 . . . . . . . . 4081 1 1481 . 1 1 118 118 ALA H H 1 7.97 0.03 . 1 . . . . . . . . 4081 1 1482 . 1 1 118 118 ALA HA H 1 4.16 0.03 . 1 . . . . . . . . 4081 1 1483 . 1 1 118 118 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4081 1 1484 . 1 1 118 118 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4081 1 1485 . 1 1 118 118 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4081 1 1486 . 1 1 118 118 ALA C C 13 181.68 0.12 . 1 . . . . . . . . 4081 1 1487 . 1 1 118 118 ALA CA C 13 55.70 0.12 . 1 . . . . . . . . 4081 1 1488 . 1 1 118 118 ALA CB C 13 18.10 0.12 . 1 . . . . . . . . 4081 1 1489 . 1 1 118 118 ALA N N 15 120.07 0.15 . 1 . . . . . . . . 4081 1 1490 . 1 1 119 119 VAL H H 1 7.63 0.03 . 1 . . . . . . . . 4081 1 1491 . 1 1 119 119 VAL HA H 1 3.81 0.03 . 1 . . . . . . . . 4081 1 1492 . 1 1 119 119 VAL HB H 1 2.52 0.03 . 1 . . . . . . . . 4081 1 1493 . 1 1 119 119 VAL HG11 H 1 1.36 0.03 . 1 . . . . . . . . 4081 1 1494 . 1 1 119 119 VAL HG12 H 1 1.36 0.03 . 1 . . . . . . . . 4081 1 1495 . 1 1 119 119 VAL HG13 H 1 1.36 0.03 . 1 . . . . . . . . 4081 1 1496 . 1 1 119 119 VAL HG21 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 1497 . 1 1 119 119 VAL HG22 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 1498 . 1 1 119 119 VAL HG23 H 1 1.26 0.03 . 1 . . . . . . . . 4081 1 1499 . 1 1 119 119 VAL C C 13 177.91 0.12 . 1 . . . . . . . . 4081 1 1500 . 1 1 119 119 VAL CA C 13 67.38 0.12 . 1 . . . . . . . . 4081 1 1501 . 1 1 119 119 VAL CB C 13 32.07 0.12 . 1 . . . . . . . . 4081 1 1502 . 1 1 119 119 VAL CG1 C 13 22.52 0.12 . 1 . . . . . . . . 4081 1 1503 . 1 1 119 119 VAL CG2 C 13 23.86 0.12 . 1 . . . . . . . . 4081 1 1504 . 1 1 119 119 VAL N N 15 118.66 0.15 . 1 . . . . . . . . 4081 1 1505 . 1 1 120 120 ARG H H 1 8.57 0.03 . 1 . . . . . . . . 4081 1 1506 . 1 1 120 120 ARG HA H 1 4.04 0.03 . 1 . . . . . . . . 4081 1 1507 . 1 1 120 120 ARG HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4081 1 1508 . 1 1 120 120 ARG HB3 H 1 2.10 0.03 . 2 . . . . . . . . 4081 1 1509 . 1 1 120 120 ARG HG2 H 1 1.94 0.03 . 2 . . . . . . . . 4081 1 1510 . 1 1 120 120 ARG HG3 H 1 1.94 0.03 . 2 . . . . . . . . 4081 1 1511 . 1 1 120 120 ARG C C 13 179.92 0.12 . 1 . . . . . . . . 4081 1 1512 . 1 1 120 120 ARG CA C 13 61.83 0.12 . 1 . . . . . . . . 4081 1 1513 . 1 1 120 120 ARG CB C 13 29.86 0.12 . 1 . . . . . . . . 4081 1 1514 . 1 1 120 120 ARG N N 15 121.04 0.15 . 1 . . . . . . . . 4081 1 1515 . 1 1 121 121 LYS H H 1 8.98 0.03 . 1 . . . . . . . . 4081 1 1516 . 1 1 121 121 LYS HA H 1 4.12 0.03 . 1 . . . . . . . . 4081 1 1517 . 1 1 121 121 LYS HB2 H 1 1.98 0.03 . 2 . . . . . . . . 4081 1 1518 . 1 1 121 121 LYS HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4081 1 1519 . 1 1 121 121 LYS HE2 H 1 3.41 0.03 . 2 . . . . . . . . 4081 1 1520 . 1 1 121 121 LYS HE3 H 1 3.41 0.03 . 2 . . . . . . . . 4081 1 1521 . 1 1 121 121 LYS C C 13 178.56 0.12 . 1 . . . . . . . . 4081 1 1522 . 1 1 121 121 LYS CA C 13 59.90 0.12 . 1 . . . . . . . . 4081 1 1523 . 1 1 121 121 LYS CB C 13 32.37 0.12 . 1 . . . . . . . . 4081 1 1524 . 1 1 121 121 LYS CG C 13 29.49 0.12 . 1 . . . . . . . . 4081 1 1525 . 1 1 121 121 LYS N N 15 119.40 0.15 . 1 . . . . . . . . 4081 1 1526 . 1 1 122 122 TYR H H 1 7.52 0.03 . 1 . . . . . . . . 4081 1 1527 . 1 1 122 122 TYR HA H 1 4.34 0.03 . 1 . . . . . . . . 4081 1 1528 . 1 1 122 122 TYR HB2 H 1 3.62 0.03 . 1 . . . . . . . . 4081 1 1529 . 1 1 122 122 TYR HB3 H 1 3.18 0.03 . 1 . . . . . . . . 4081 1 1530 . 1 1 122 122 TYR HD1 H 1 6.98 0.03 . 3 . . . . . . . . 4081 1 1531 . 1 1 122 122 TYR HD2 H 1 6.98 0.03 . 3 . . . . . . . . 4081 1 1532 . 1 1 122 122 TYR C C 13 176.59 0.12 . 1 . . . . . . . . 4081 1 1533 . 1 1 122 122 TYR CA C 13 60.84 0.12 . 1 . . . . . . . . 4081 1 1534 . 1 1 122 122 TYR CB C 13 38.06 0.12 . 1 . . . . . . . . 4081 1 1535 . 1 1 122 122 TYR N N 15 121.28 0.15 . 1 . . . . . . . . 4081 1 1536 . 1 1 123 123 PHE H H 1 7.95 0.03 . 1 . . . . . . . . 4081 1 1537 . 1 1 123 123 PHE HA H 1 3.76 0.03 . 1 . . . . . . . . 4081 1 1538 . 1 1 123 123 PHE HB2 H 1 2.94 0.03 . 1 . . . . . . . . 4081 1 1539 . 1 1 123 123 PHE HB3 H 1 3.22 0.03 . 1 . . . . . . . . 4081 1 1540 . 1 1 123 123 PHE HD1 H 1 7.58 0.03 . 3 . . . . . . . . 4081 1 1541 . 1 1 123 123 PHE HD2 H 1 7.58 0.03 . 3 . . . . . . . . 4081 1 1542 . 1 1 123 123 PHE HE1 H 1 7.44 0.03 . 3 . . . . . . . . 4081 1 1543 . 1 1 123 123 PHE HE2 H 1 7.44 0.03 . 3 . . . . . . . . 4081 1 1544 . 1 1 123 123 PHE C C 13 179.08 0.12 . 1 . . . . . . . . 4081 1 1545 . 1 1 123 123 PHE CA C 13 63.31 0.12 . 1 . . . . . . . . 4081 1 1546 . 1 1 123 123 PHE CB C 13 39.23 0.12 . 1 . . . . . . . . 4081 1 1547 . 1 1 123 123 PHE N N 15 115.66 0.15 . 1 . . . . . . . . 4081 1 1548 . 1 1 124 124 GLN H H 1 8.45 0.03 . 1 . . . . . . . . 4081 1 1549 . 1 1 124 124 GLN HA H 1 4.21 0.03 . 1 . . . . . . . . 4081 1 1550 . 1 1 124 124 GLN HB2 H 1 2.42 0.03 . 1 . . . . . . . . 4081 1 1551 . 1 1 124 124 GLN HB3 H 1 2.23 0.03 . 1 . . . . . . . . 4081 1 1552 . 1 1 124 124 GLN HG2 H 1 2.60 0.03 . 2 . . . . . . . . 4081 1 1553 . 1 1 124 124 GLN HG3 H 1 2.41 0.03 . 2 . . . . . . . . 4081 1 1554 . 1 1 124 124 GLN HE21 H 1 6.80 0.03 . 2 . . . . . . . . 4081 1 1555 . 1 1 124 124 GLN HE22 H 1 7.48 0.03 . 2 . . . . . . . . 4081 1 1556 . 1 1 124 124 GLN C C 13 178.87 0.12 . 1 . . . . . . . . 4081 1 1557 . 1 1 124 124 GLN CA C 13 59.32 0.12 . 1 . . . . . . . . 4081 1 1558 . 1 1 124 124 GLN CB C 13 27.81 0.12 . 1 . . . . . . . . 4081 1 1559 . 1 1 124 124 GLN CG C 13 34.05 0.12 . 1 . . . . . . . . 4081 1 1560 . 1 1 124 124 GLN N N 15 122.75 0.15 . 1 . . . . . . . . 4081 1 1561 . 1 1 124 124 GLN NE2 N 15 110.53 0.15 . 1 . . . . . . . . 4081 1 1562 . 1 1 125 125 ARG H H 1 8.14 0.03 . 1 . . . . . . . . 4081 1 1563 . 1 1 125 125 ARG HA H 1 4.10 0.03 . 1 . . . . . . . . 4081 1 1564 . 1 1 125 125 ARG HB2 H 1 2.60 0.03 . 1 . . . . . . . . 4081 1 1565 . 1 1 125 125 ARG HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4081 1 1566 . 1 1 125 125 ARG C C 13 180.38 0.12 . 1 . . . . . . . . 4081 1 1567 . 1 1 125 125 ARG CA C 13 61.02 0.12 . 1 . . . . . . . . 4081 1 1568 . 1 1 125 125 ARG CB C 13 30.39 0.12 . 1 . . . . . . . . 4081 1 1569 . 1 1 125 125 ARG N N 15 119.93 0.15 . 1 . . . . . . . . 4081 1 1570 . 1 1 126 126 ILE H H 1 7.54 0.03 . 1 . . . . . . . . 4081 1 1571 . 1 1 126 126 ILE HA H 1 3.39 0.03 . 1 . . . . . . . . 4081 1 1572 . 1 1 126 126 ILE HB H 1 1.69 0.03 . 1 . . . . . . . . 4081 1 1573 . 1 1 126 126 ILE HG12 H 1 -0.54 0.03 . 1 . . . . . . . . 4081 1 1574 . 1 1 126 126 ILE HG13 H 1 0.74 0.03 . 1 . . . . . . . . 4081 1 1575 . 1 1 126 126 ILE HG21 H 1 0.55 0.03 . 1 . . . . . . . . 4081 1 1576 . 1 1 126 126 ILE HG22 H 1 0.55 0.03 . 1 . . . . . . . . 4081 1 1577 . 1 1 126 126 ILE HG23 H 1 0.55 0.03 . 1 . . . . . . . . 4081 1 1578 . 1 1 126 126 ILE HD11 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1579 . 1 1 126 126 ILE HD12 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1580 . 1 1 126 126 ILE HD13 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1581 . 1 1 126 126 ILE C C 13 176.91 0.12 . 1 . . . . . . . . 4081 1 1582 . 1 1 126 126 ILE CA C 13 65.71 0.12 . 1 . . . . . . . . 4081 1 1583 . 1 1 126 126 ILE CB C 13 37.69 0.12 . 1 . . . . . . . . 4081 1 1584 . 1 1 126 126 ILE CG1 C 13 28.60 0.12 . 1 . . . . . . . . 4081 1 1585 . 1 1 126 126 ILE CG2 C 13 18.81 0.12 . 1 . . . . . . . . 4081 1 1586 . 1 1 126 126 ILE CD1 C 13 12.15 0.12 . 1 . . . . . . . . 4081 1 1587 . 1 1 126 126 ILE N N 15 121.56 0.15 . 1 . . . . . . . . 4081 1 1588 . 1 1 127 127 THR H H 1 8.28 0.03 . 1 . . . . . . . . 4081 1 1589 . 1 1 127 127 THR HA H 1 3.66 0.03 . 1 . . . . . . . . 4081 1 1590 . 1 1 127 127 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 4081 1 1591 . 1 1 127 127 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 4081 1 1592 . 1 1 127 127 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 4081 1 1593 . 1 1 127 127 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 4081 1 1594 . 1 1 127 127 THR C C 13 176.74 0.12 . 1 . . . . . . . . 4081 1 1595 . 1 1 127 127 THR CA C 13 67.69 0.12 . 1 . . . . . . . . 4081 1 1596 . 1 1 127 127 THR CB C 13 68.65 0.12 . 1 . . . . . . . . 4081 1 1597 . 1 1 127 127 THR CG2 C 13 21.97 0.12 . 1 . . . . . . . . 4081 1 1598 . 1 1 127 127 THR N N 15 115.32 0.15 . 1 . . . . . . . . 4081 1 1599 . 1 1 128 128 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 4081 1 1600 . 1 1 128 128 LEU HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1601 . 1 1 128 128 LEU HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4081 1 1602 . 1 1 128 128 LEU HB3 H 1 1.64 0.03 . 2 . . . . . . . . 4081 1 1603 . 1 1 128 128 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 4081 1 1604 . 1 1 128 128 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 4081 1 1605 . 1 1 128 128 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 4081 1 1606 . 1 1 128 128 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 4081 1 1607 . 1 1 128 128 LEU HD21 H 1 0.86 0.03 . 2 . . . . . . . . 4081 1 1608 . 1 1 128 128 LEU HD22 H 1 0.86 0.03 . 2 . . . . . . . . 4081 1 1609 . 1 1 128 128 LEU HD23 H 1 0.86 0.03 . 2 . . . . . . . . 4081 1 1610 . 1 1 128 128 LEU C C 13 178.45 0.12 . 1 . . . . . . . . 4081 1 1611 . 1 1 128 128 LEU CA C 13 58.16 0.12 . 1 . . . . . . . . 4081 1 1612 . 1 1 128 128 LEU CB C 13 41.74 0.12 . 1 . . . . . . . . 4081 1 1613 . 1 1 128 128 LEU CG C 13 27.08 0.12 . 1 . . . . . . . . 4081 1 1614 . 1 1 128 128 LEU CD1 C 13 24.35 0.12 . 2 . . . . . . . . 4081 1 1615 . 1 1 128 128 LEU CD2 C 13 24.25 0.12 . 2 . . . . . . . . 4081 1 1616 . 1 1 128 128 LEU N N 15 122.28 0.15 . 1 . . . . . . . . 4081 1 1617 . 1 1 129 129 TYR H H 1 7.52 0.03 . 1 . . . . . . . . 4081 1 1618 . 1 1 129 129 TYR HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1619 . 1 1 129 129 TYR HB2 H 1 2.80 0.03 . 1 . . . . . . . . 4081 1 1620 . 1 1 129 129 TYR HB3 H 1 3.30 0.03 . 1 . . . . . . . . 4081 1 1621 . 1 1 129 129 TYR HD1 H 1 6.43 0.03 . 3 . . . . . . . . 4081 1 1622 . 1 1 129 129 TYR HD2 H 1 6.43 0.03 . 3 . . . . . . . . 4081 1 1623 . 1 1 129 129 TYR HE1 H 1 6.45 0.03 . 3 . . . . . . . . 4081 1 1624 . 1 1 129 129 TYR HE2 H 1 6.45 0.03 . 3 . . . . . . . . 4081 1 1625 . 1 1 129 129 TYR C C 13 176.15 0.12 . 1 . . . . . . . . 4081 1 1626 . 1 1 129 129 TYR CA C 13 60.99 0.12 . 1 . . . . . . . . 4081 1 1627 . 1 1 129 129 TYR CB C 13 38.95 0.12 . 1 . . . . . . . . 4081 1 1628 . 1 1 129 129 TYR CD1 C 13 133.20 0.12 . 3 . . . . . . . . 4081 1 1629 . 1 1 129 129 TYR CD2 C 13 133.20 0.12 . 3 . . . . . . . . 4081 1 1630 . 1 1 129 129 TYR CE1 C 13 118.20 0.12 . 3 . . . . . . . . 4081 1 1631 . 1 1 129 129 TYR CE2 C 13 118.20 0.12 . 3 . . . . . . . . 4081 1 1632 . 1 1 129 129 TYR N N 15 120.69 0.15 . 1 . . . . . . . . 4081 1 1633 . 1 1 130 130 LEU H H 1 7.72 0.03 . 1 . . . . . . . . 4081 1 1634 . 1 1 130 130 LEU HA H 1 2.88 0.03 . 1 . . . . . . . . 4081 1 1635 . 1 1 130 130 LEU HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4081 1 1636 . 1 1 130 130 LEU HB3 H 1 0.33 0.03 . 1 . . . . . . . . 4081 1 1637 . 1 1 130 130 LEU HG H 1 1.21 0.03 . 1 . . . . . . . . 4081 1 1638 . 1 1 130 130 LEU HD11 H 1 -0.01 0.03 . 1 . . . . . . . . 4081 1 1639 . 1 1 130 130 LEU HD12 H 1 -0.01 0.03 . 1 . . . . . . . . 4081 1 1640 . 1 1 130 130 LEU HD13 H 1 -0.01 0.03 . 1 . . . . . . . . 4081 1 1641 . 1 1 130 130 LEU HD21 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1642 . 1 1 130 130 LEU HD22 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1643 . 1 1 130 130 LEU HD23 H 1 -0.45 0.03 . 1 . . . . . . . . 4081 1 1644 . 1 1 130 130 LEU C C 13 177.99 0.12 . 1 . . . . . . . . 4081 1 1645 . 1 1 130 130 LEU CA C 13 58.37 0.12 . 1 . . . . . . . . 4081 1 1646 . 1 1 130 130 LEU CB C 13 41.43 0.12 . 1 . . . . . . . . 4081 1 1647 . 1 1 130 130 LEU CG C 13 26.70 0.12 . 1 . . . . . . . . 4081 1 1648 . 1 1 130 130 LEU CD1 C 13 25.30 0.12 . 1 . . . . . . . . 4081 1 1649 . 1 1 130 130 LEU CD2 C 13 21.70 0.12 . 1 . . . . . . . . 4081 1 1650 . 1 1 130 130 LEU N N 15 118.87 0.15 . 1 . . . . . . . . 4081 1 1651 . 1 1 131 131 LYS H H 1 7.49 0.03 . 1 . . . . . . . . 4081 1 1652 . 1 1 131 131 LYS HA H 1 3.47 0.03 . 1 . . . . . . . . 4081 1 1653 . 1 1 131 131 LYS HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4081 1 1654 . 1 1 131 131 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4081 1 1655 . 1 1 131 131 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 4081 1 1656 . 1 1 131 131 LYS HG3 H 1 1.54 0.03 . 2 . . . . . . . . 4081 1 1657 . 1 1 131 131 LYS HD2 H 1 1.65 0.03 . 2 . . . . . . . . 4081 1 1658 . 1 1 131 131 LYS HD3 H 1 1.65 0.03 . 2 . . . . . . . . 4081 1 1659 . 1 1 131 131 LYS HE2 H 1 2.95 0.03 . 2 . . . . . . . . 4081 1 1660 . 1 1 131 131 LYS HE3 H 1 2.95 0.03 . 2 . . . . . . . . 4081 1 1661 . 1 1 131 131 LYS C C 13 181.29 0.12 . 1 . . . . . . . . 4081 1 1662 . 1 1 131 131 LYS CA C 13 59.68 0.12 . 1 . . . . . . . . 4081 1 1663 . 1 1 131 131 LYS CB C 13 32.74 0.12 . 1 . . . . . . . . 4081 1 1664 . 1 1 131 131 LYS CG C 13 25.61 0.12 . 1 . . . . . . . . 4081 1 1665 . 1 1 131 131 LYS CD C 13 29.72 0.12 . 1 . . . . . . . . 4081 1 1666 . 1 1 131 131 LYS CE C 13 42.05 0.12 . 1 . . . . . . . . 4081 1 1667 . 1 1 131 131 LYS N N 15 116.45 0.15 . 1 . . . . . . . . 4081 1 1668 . 1 1 132 132 GLU H H 1 8.42 0.03 . 1 . . . . . . . . 4081 1 1669 . 1 1 132 132 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4081 1 1670 . 1 1 132 132 GLU HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 1671 . 1 1 132 132 GLU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4081 1 1672 . 1 1 132 132 GLU HG2 H 1 2.27 0.03 . 2 . . . . . . . . 4081 1 1673 . 1 1 132 132 GLU HG3 H 1 2.42 0.03 . 2 . . . . . . . . 4081 1 1674 . 1 1 132 132 GLU C C 13 178.52 0.12 . 1 . . . . . . . . 4081 1 1675 . 1 1 132 132 GLU CA C 13 58.94 0.12 . 1 . . . . . . . . 4081 1 1676 . 1 1 132 132 GLU CB C 13 28.35 0.12 . 1 . . . . . . . . 4081 1 1677 . 1 1 132 132 GLU CG C 13 34.86 0.12 . 1 . . . . . . . . 4081 1 1678 . 1 1 132 132 GLU N N 15 121.90 0.15 . 1 . . . . . . . . 4081 1 1679 . 1 1 133 133 LYS H H 1 7.41 0.03 . 1 . . . . . . . . 4081 1 1680 . 1 1 133 133 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1681 . 1 1 133 133 LYS HB2 H 1 1.04 0.03 . 1 . . . . . . . . 4081 1 1682 . 1 1 133 133 LYS HB3 H 1 1.72 0.03 . 1 . . . . . . . . 4081 1 1683 . 1 1 133 133 LYS HG2 H 1 1.28 0.03 . 2 . . . . . . . . 4081 1 1684 . 1 1 133 133 LYS HG3 H 1 1.12 0.03 . 2 . . . . . . . . 4081 1 1685 . 1 1 133 133 LYS HD2 H 1 0.78 0.03 . 2 . . . . . . . . 4081 1 1686 . 1 1 133 133 LYS HD3 H 1 0.40 0.03 . 2 . . . . . . . . 4081 1 1687 . 1 1 133 133 LYS HE2 H 1 2.68 0.03 . 2 . . . . . . . . 4081 1 1688 . 1 1 133 133 LYS HE3 H 1 2.68 0.03 . 2 . . . . . . . . 4081 1 1689 . 1 1 133 133 LYS C C 13 175.39 0.12 . 1 . . . . . . . . 4081 1 1690 . 1 1 133 133 LYS CA C 13 54.45 0.12 . 1 . . . . . . . . 4081 1 1691 . 1 1 133 133 LYS CB C 13 32.09 0.12 . 1 . . . . . . . . 4081 1 1692 . 1 1 133 133 LYS CG C 13 27.87 0.12 . 1 . . . . . . . . 4081 1 1693 . 1 1 133 133 LYS CD C 13 23.50 0.12 . 1 . . . . . . . . 4081 1 1694 . 1 1 133 133 LYS CE C 13 42.54 0.12 . 1 . . . . . . . . 4081 1 1695 . 1 1 133 133 LYS N N 15 115.70 0.15 . 1 . . . . . . . . 4081 1 1696 . 1 1 134 134 LYS H H 1 7.73 0.03 . 1 . . . . . . . . 4081 1 1697 . 1 1 134 134 LYS HA H 1 3.64 0.03 . 1 . . . . . . . . 4081 1 1698 . 1 1 134 134 LYS HB2 H 1 1.92 0.03 . 2 . . . . . . . . 4081 1 1699 . 1 1 134 134 LYS HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4081 1 1700 . 1 1 134 134 LYS HG2 H 1 1.29 0.03 . 2 . . . . . . . . 4081 1 1701 . 1 1 134 134 LYS HG3 H 1 1.29 0.03 . 2 . . . . . . . . 4081 1 1702 . 1 1 134 134 LYS HD2 H 1 1.63 0.03 . 2 . . . . . . . . 4081 1 1703 . 1 1 134 134 LYS HD3 H 1 1.63 0.03 . 2 . . . . . . . . 4081 1 1704 . 1 1 134 134 LYS HE2 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 1705 . 1 1 134 134 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 4081 1 1706 . 1 1 134 134 LYS C C 13 176.35 0.12 . 1 . . . . . . . . 4081 1 1707 . 1 1 134 134 LYS CA C 13 57.45 0.12 . 1 . . . . . . . . 4081 1 1708 . 1 1 134 134 LYS CB C 13 29.01 0.12 . 1 . . . . . . . . 4081 1 1709 . 1 1 134 134 LYS CG C 13 25.20 0.12 . 1 . . . . . . . . 4081 1 1710 . 1 1 134 134 LYS N N 15 117.51 0.15 . 1 . . . . . . . . 4081 1 1711 . 1 1 135 135 TYR H H 1 8.44 0.03 . 1 . . . . . . . . 4081 1 1712 . 1 1 135 135 TYR HA H 1 2.92 0.03 . 1 . . . . . . . . 4081 1 1713 . 1 1 135 135 TYR HB2 H 1 2.98 0.03 . 1 . . . . . . . . 4081 1 1714 . 1 1 135 135 TYR HB3 H 1 3.37 0.03 . 1 . . . . . . . . 4081 1 1715 . 1 1 135 135 TYR HD1 H 1 6.66 0.03 . 3 . . . . . . . . 4081 1 1716 . 1 1 135 135 TYR HD2 H 1 6.66 0.03 . 3 . . . . . . . . 4081 1 1717 . 1 1 135 135 TYR HE1 H 1 6.55 0.03 . 3 . . . . . . . . 4081 1 1718 . 1 1 135 135 TYR HE2 H 1 6.55 0.03 . 3 . . . . . . . . 4081 1 1719 . 1 1 135 135 TYR C C 13 174.21 0.12 . 1 . . . . . . . . 4081 1 1720 . 1 1 135 135 TYR CA C 13 59.81 0.12 . 1 . . . . . . . . 4081 1 1721 . 1 1 135 135 TYR CB C 13 34.85 0.12 . 1 . . . . . . . . 4081 1 1722 . 1 1 135 135 TYR CD1 C 13 133.30 0.12 . 3 . . . . . . . . 4081 1 1723 . 1 1 135 135 TYR CD2 C 13 133.30 0.12 . 3 . . . . . . . . 4081 1 1724 . 1 1 135 135 TYR CE1 C 13 118.50 0.12 . 3 . . . . . . . . 4081 1 1725 . 1 1 135 135 TYR CE2 C 13 118.50 0.12 . 3 . . . . . . . . 4081 1 1726 . 1 1 135 135 TYR N N 15 110.25 0.15 . 1 . . . . . . . . 4081 1 1727 . 1 1 136 136 SER H H 1 6.75 0.03 . 1 . . . . . . . . 4081 1 1728 . 1 1 136 136 SER HA H 1 4.55 0.03 . 1 . . . . . . . . 4081 1 1729 . 1 1 136 136 SER HB2 H 1 4.41 0.03 . 1 . . . . . . . . 4081 1 1730 . 1 1 136 136 SER HB3 H 1 4.02 0.03 . 1 . . . . . . . . 4081 1 1731 . 1 1 136 136 SER CA C 13 57.27 0.12 . 1 . . . . . . . . 4081 1 1732 . 1 1 136 136 SER CB C 13 62.59 0.12 . 1 . . . . . . . . 4081 1 1733 . 1 1 136 136 SER N N 15 113.34 0.15 . 1 . . . . . . . . 4081 1 1734 . 1 1 137 137 PRO HA H 1 4.34 0.03 . 1 . . . . . . . . 4081 1 1735 . 1 1 137 137 PRO HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4081 1 1736 . 1 1 137 137 PRO HB3 H 1 2.17 0.03 . 2 . . . . . . . . 4081 1 1737 . 1 1 137 137 PRO HD2 H 1 3.93 0.03 . 2 . . . . . . . . 4081 1 1738 . 1 1 137 137 PRO HD3 H 1 3.93 0.03 . 2 . . . . . . . . 4081 1 1739 . 1 1 137 137 PRO C C 13 180.71 0.12 . 1 . . . . . . . . 4081 1 1740 . 1 1 137 137 PRO CA C 13 66.33 0.12 . 1 . . . . . . . . 4081 1 1741 . 1 1 137 137 PRO CB C 13 32.18 0.12 . 1 . . . . . . . . 4081 1 1742 . 1 1 137 137 PRO CD C 13 50.10 0.12 . 1 . . . . . . . . 4081 1 1743 . 1 1 138 138 CYS H H 1 8.56 0.03 . 1 . . . . . . . . 4081 1 1744 . 1 1 138 138 CYS HA H 1 4.72 0.03 . 1 . . . . . . . . 4081 1 1745 . 1 1 138 138 CYS HB2 H 1 2.95 0.03 . 1 . . . . . . . . 4081 1 1746 . 1 1 138 138 CYS HB3 H 1 2.80 0.03 . 1 . . . . . . . . 4081 1 1747 . 1 1 138 138 CYS C C 13 176.12 0.12 . 1 . . . . . . . . 4081 1 1748 . 1 1 138 138 CYS CA C 13 57.40 0.12 . 1 . . . . . . . . 4081 1 1749 . 1 1 138 138 CYS CB C 13 36.84 0.12 . 1 . . . . . . . . 4081 1 1750 . 1 1 138 138 CYS N N 15 113.58 0.15 . 1 . . . . . . . . 4081 1 1751 . 1 1 139 139 ALA H H 1 8.11 0.03 . 1 . . . . . . . . 4081 1 1752 . 1 1 139 139 ALA HA H 1 4.49 0.03 . 1 . . . . . . . . 4081 1 1753 . 1 1 139 139 ALA HB1 H 1 1.08 0.03 . 1 . . . . . . . . 4081 1 1754 . 1 1 139 139 ALA HB2 H 1 1.08 0.03 . 1 . . . . . . . . 4081 1 1755 . 1 1 139 139 ALA HB3 H 1 1.08 0.03 . 1 . . . . . . . . 4081 1 1756 . 1 1 139 139 ALA C C 13 180.26 0.12 . 1 . . . . . . . . 4081 1 1757 . 1 1 139 139 ALA CA C 13 54.84 0.12 . 1 . . . . . . . . 4081 1 1758 . 1 1 139 139 ALA CB C 13 19.00 0.12 . 1 . . . . . . . . 4081 1 1759 . 1 1 139 139 ALA N N 15 124.94 0.15 . 1 . . . . . . . . 4081 1 1760 . 1 1 140 140 TRP H H 1 8.52 0.03 . 1 . . . . . . . . 4081 1 1761 . 1 1 140 140 TRP HA H 1 4.63 0.03 . 1 . . . . . . . . 4081 1 1762 . 1 1 140 140 TRP HB2 H 1 3.40 0.03 . 1 . . . . . . . . 4081 1 1763 . 1 1 140 140 TRP HB3 H 1 2.91 0.03 . 1 . . . . . . . . 4081 1 1764 . 1 1 140 140 TRP HD1 H 1 6.80 0.03 . 1 . . . . . . . . 4081 1 1765 . 1 1 140 140 TRP HE1 H 1 9.63 0.03 . 1 . . . . . . . . 4081 1 1766 . 1 1 140 140 TRP HE3 H 1 8.23 0.03 . 1 . . . . . . . . 4081 1 1767 . 1 1 140 140 TRP HZ2 H 1 7.01 0.03 . 1 . . . . . . . . 4081 1 1768 . 1 1 140 140 TRP HZ3 H 1 6.46 0.03 . 1 . . . . . . . . 4081 1 1769 . 1 1 140 140 TRP HH2 H 1 7.02 0.03 . 1 . . . . . . . . 4081 1 1770 . 1 1 140 140 TRP C C 13 179.14 0.12 . 1 . . . . . . . . 4081 1 1771 . 1 1 140 140 TRP CA C 13 60.28 0.12 . 1 . . . . . . . . 4081 1 1772 . 1 1 140 140 TRP CB C 13 29.95 0.12 . 1 . . . . . . . . 4081 1 1773 . 1 1 140 140 TRP CD1 C 13 127.20 0.12 . 1 . . . . . . . . 4081 1 1774 . 1 1 140 140 TRP CE3 C 13 121.90 0.12 . 1 . . . . . . . . 4081 1 1775 . 1 1 140 140 TRP CZ2 C 13 114.65 0.12 . 1 . . . . . . . . 4081 1 1776 . 1 1 140 140 TRP CZ3 C 13 120.40 0.12 . 1 . . . . . . . . 4081 1 1777 . 1 1 140 140 TRP CH2 C 13 124.65 0.12 . 1 . . . . . . . . 4081 1 1778 . 1 1 140 140 TRP N N 15 116.19 0.15 . 1 . . . . . . . . 4081 1 1779 . 1 1 140 140 TRP NE1 N 15 126.56 0.15 . 1 . . . . . . . . 4081 1 1780 . 1 1 141 141 GLU H H 1 8.18 0.03 . 1 . . . . . . . . 4081 1 1781 . 1 1 141 141 GLU HA H 1 5.30 0.03 . 1 . . . . . . . . 4081 1 1782 . 1 1 141 141 GLU HB2 H 1 2.20 0.03 . 1 . . . . . . . . 4081 1 1783 . 1 1 141 141 GLU HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4081 1 1784 . 1 1 141 141 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 4081 1 1785 . 1 1 141 141 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 4081 1 1786 . 1 1 141 141 GLU C C 13 178.17 0.12 . 1 . . . . . . . . 4081 1 1787 . 1 1 141 141 GLU CA C 13 57.90 0.12 . 1 . . . . . . . . 4081 1 1788 . 1 1 141 141 GLU CB C 13 28.17 0.12 . 1 . . . . . . . . 4081 1 1789 . 1 1 141 141 GLU CG C 13 34.75 0.12 . 1 . . . . . . . . 4081 1 1790 . 1 1 141 141 GLU N N 15 121.34 0.15 . 1 . . . . . . . . 4081 1 1791 . 1 1 142 142 VAL H H 1 8.64 0.03 . 1 . . . . . . . . 4081 1 1792 . 1 1 142 142 VAL HA H 1 3.67 0.03 . 1 . . . . . . . . 4081 1 1793 . 1 1 142 142 VAL HB H 1 2.72 0.03 . 1 . . . . . . . . 4081 1 1794 . 1 1 142 142 VAL HG11 H 1 1.05 0.03 . 1 . . . . . . . . 4081 1 1795 . 1 1 142 142 VAL HG12 H 1 1.05 0.03 . 1 . . . . . . . . 4081 1 1796 . 1 1 142 142 VAL HG13 H 1 1.05 0.03 . 1 . . . . . . . . 4081 1 1797 . 1 1 142 142 VAL HG21 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1798 . 1 1 142 142 VAL HG22 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1799 . 1 1 142 142 VAL HG23 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1800 . 1 1 142 142 VAL C C 13 180.37 0.12 . 1 . . . . . . . . 4081 1 1801 . 1 1 142 142 VAL CA C 13 67.03 0.12 . 1 . . . . . . . . 4081 1 1802 . 1 1 142 142 VAL CB C 13 31.78 0.12 . 1 . . . . . . . . 4081 1 1803 . 1 1 142 142 VAL CG1 C 13 20.68 0.12 . 1 . . . . . . . . 4081 1 1804 . 1 1 142 142 VAL CG2 C 13 23.23 0.12 . 1 . . . . . . . . 4081 1 1805 . 1 1 142 142 VAL N N 15 120.89 0.15 . 1 . . . . . . . . 4081 1 1806 . 1 1 143 143 VAL H H 1 8.33 0.03 . 1 . . . . . . . . 4081 1 1807 . 1 1 143 143 VAL HA H 1 3.35 0.03 . 1 . . . . . . . . 4081 1 1808 . 1 1 143 143 VAL HB H 1 2.47 0.03 . 1 . . . . . . . . 4081 1 1809 . 1 1 143 143 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 1810 . 1 1 143 143 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 1811 . 1 1 143 143 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 4081 1 1812 . 1 1 143 143 VAL HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1813 . 1 1 143 143 VAL HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1814 . 1 1 143 143 VAL HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4081 1 1815 . 1 1 143 143 VAL C C 13 176.51 0.12 . 1 . . . . . . . . 4081 1 1816 . 1 1 143 143 VAL CA C 13 67.85 0.12 . 1 . . . . . . . . 4081 1 1817 . 1 1 143 143 VAL CB C 13 31.77 0.12 . 1 . . . . . . . . 4081 1 1818 . 1 1 143 143 VAL CG1 C 13 22.32 0.12 . 1 . . . . . . . . 4081 1 1819 . 1 1 143 143 VAL CG2 C 13 25.30 0.12 . 1 . . . . . . . . 4081 1 1820 . 1 1 143 143 VAL N N 15 119.84 0.15 . 1 . . . . . . . . 4081 1 1821 . 1 1 144 144 ARG H H 1 9.64 0.03 . 1 . . . . . . . . 4081 1 1822 . 1 1 144 144 ARG HA H 1 3.72 0.03 . 1 . . . . . . . . 4081 1 1823 . 1 1 144 144 ARG HB2 H 1 2.48 0.03 . 1 . . . . . . . . 4081 1 1824 . 1 1 144 144 ARG HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4081 1 1825 . 1 1 144 144 ARG C C 13 178.25 0.12 . 1 . . . . . . . . 4081 1 1826 . 1 1 144 144 ARG CA C 13 61.12 0.12 . 1 . . . . . . . . 4081 1 1827 . 1 1 144 144 ARG CB C 13 29.87 0.12 . 1 . . . . . . . . 4081 1 1828 . 1 1 144 144 ARG N N 15 123.75 0.15 . 1 . . . . . . . . 4081 1 1829 . 1 1 145 145 ALA H H 1 8.87 0.03 . 1 . . . . . . . . 4081 1 1830 . 1 1 145 145 ALA HA H 1 3.90 0.03 . 1 . . . . . . . . 4081 1 1831 . 1 1 145 145 ALA HB1 H 1 1.55 0.03 . 1 . . . . . . . . 4081 1 1832 . 1 1 145 145 ALA HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4081 1 1833 . 1 1 145 145 ALA HB3 H 1 1.55 0.03 . 1 . . . . . . . . 4081 1 1834 . 1 1 145 145 ALA C C 13 180.82 0.12 . 1 . . . . . . . . 4081 1 1835 . 1 1 145 145 ALA CA C 13 55.51 0.12 . 1 . . . . . . . . 4081 1 1836 . 1 1 145 145 ALA CB C 13 18.31 0.12 . 1 . . . . . . . . 4081 1 1837 . 1 1 145 145 ALA N N 15 119.07 0.15 . 1 . . . . . . . . 4081 1 1838 . 1 1 146 146 GLU H H 1 8.12 0.03 . 1 . . . . . . . . 4081 1 1839 . 1 1 146 146 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4081 1 1840 . 1 1 146 146 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4081 1 1841 . 1 1 146 146 GLU HB3 H 1 2.30 0.03 . 1 . . . . . . . . 4081 1 1842 . 1 1 146 146 GLU HG2 H 1 2.29 0.03 . 2 . . . . . . . . 4081 1 1843 . 1 1 146 146 GLU HG3 H 1 2.29 0.03 . 2 . . . . . . . . 4081 1 1844 . 1 1 146 146 GLU C C 13 177.40 0.12 . 1 . . . . . . . . 4081 1 1845 . 1 1 146 146 GLU CA C 13 58.51 0.12 . 1 . . . . . . . . 4081 1 1846 . 1 1 146 146 GLU CB C 13 28.10 0.12 . 1 . . . . . . . . 4081 1 1847 . 1 1 146 146 GLU CG C 13 33.33 0.12 . 1 . . . . . . . . 4081 1 1848 . 1 1 146 146 GLU N N 15 121.49 0.15 . 1 . . . . . . . . 4081 1 1849 . 1 1 147 147 ILE H H 1 8.76 0.03 . 1 . . . . . . . . 4081 1 1850 . 1 1 147 147 ILE HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1851 . 1 1 147 147 ILE HB H 1 2.25 0.03 . 1 . . . . . . . . 4081 1 1852 . 1 1 147 147 ILE HG12 H 1 1.78 0.03 . 1 . . . . . . . . 4081 1 1853 . 1 1 147 147 ILE HG13 H 1 1.52 0.03 . 1 . . . . . . . . 4081 1 1854 . 1 1 147 147 ILE HG21 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1855 . 1 1 147 147 ILE HG22 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1856 . 1 1 147 147 ILE HG23 H 1 0.99 0.03 . 1 . . . . . . . . 4081 1 1857 . 1 1 147 147 ILE HD11 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1858 . 1 1 147 147 ILE HD12 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1859 . 1 1 147 147 ILE HD13 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1860 . 1 1 147 147 ILE C C 13 178.30 0.12 . 1 . . . . . . . . 4081 1 1861 . 1 1 147 147 ILE CA C 13 61.47 0.12 . 1 . . . . . . . . 4081 1 1862 . 1 1 147 147 ILE CB C 13 35.49 0.12 . 1 . . . . . . . . 4081 1 1863 . 1 1 147 147 ILE CG1 C 13 28.20 0.12 . 1 . . . . . . . . 4081 1 1864 . 1 1 147 147 ILE CG2 C 13 18.26 0.12 . 1 . . . . . . . . 4081 1 1865 . 1 1 147 147 ILE CD1 C 13 11.11 0.12 . 1 . . . . . . . . 4081 1 1866 . 1 1 147 147 ILE N N 15 119.17 0.15 . 1 . . . . . . . . 4081 1 1867 . 1 1 148 148 MET H H 1 8.47 0.03 . 1 . . . . . . . . 4081 1 1868 . 1 1 148 148 MET HA H 1 3.83 0.03 . 1 . . . . . . . . 4081 1 1869 . 1 1 148 148 MET HB2 H 1 2.21 0.03 . 1 . . . . . . . . 4081 1 1870 . 1 1 148 148 MET HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4081 1 1871 . 1 1 148 148 MET HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4081 1 1872 . 1 1 148 148 MET HG3 H 1 2.36 0.03 . 2 . . . . . . . . 4081 1 1873 . 1 1 148 148 MET HE1 H 1 2.10 0.03 . 1 . . . . . . . . 4081 1 1874 . 1 1 148 148 MET HE2 H 1 2.10 0.03 . 1 . . . . . . . . 4081 1 1875 . 1 1 148 148 MET HE3 H 1 2.10 0.03 . 1 . . . . . . . . 4081 1 1876 . 1 1 148 148 MET C C 13 178.27 0.12 . 1 . . . . . . . . 4081 1 1877 . 1 1 148 148 MET CA C 13 60.49 0.12 . 1 . . . . . . . . 4081 1 1878 . 1 1 148 148 MET CB C 13 32.65 0.12 . 1 . . . . . . . . 4081 1 1879 . 1 1 148 148 MET CG C 13 32.79 0.12 . 1 . . . . . . . . 4081 1 1880 . 1 1 148 148 MET CE C 13 17.46 0.12 . 1 . . . . . . . . 4081 1 1881 . 1 1 148 148 MET N N 15 119.23 0.15 . 1 . . . . . . . . 4081 1 1882 . 1 1 149 149 ARG H H 1 7.65 0.03 . 1 . . . . . . . . 4081 1 1883 . 1 1 149 149 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 4081 1 1884 . 1 1 149 149 ARG HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4081 1 1885 . 1 1 149 149 ARG HB3 H 1 1.91 0.03 . 1 . . . . . . . . 4081 1 1886 . 1 1 149 149 ARG HG2 H 1 1.34 0.03 . 2 . . . . . . . . 4081 1 1887 . 1 1 149 149 ARG HG3 H 1 1.66 0.03 . 2 . . . . . . . . 4081 1 1888 . 1 1 149 149 ARG HD2 H 1 3.15 0.03 . 2 . . . . . . . . 4081 1 1889 . 1 1 149 149 ARG HD3 H 1 3.31 0.03 . 2 . . . . . . . . 4081 1 1890 . 1 1 149 149 ARG C C 13 179.04 0.12 . 1 . . . . . . . . 4081 1 1891 . 1 1 149 149 ARG CA C 13 59.54 0.12 . 1 . . . . . . . . 4081 1 1892 . 1 1 149 149 ARG CB C 13 30.38 0.12 . 1 . . . . . . . . 4081 1 1893 . 1 1 149 149 ARG CG C 13 27.37 0.12 . 1 . . . . . . . . 4081 1 1894 . 1 1 149 149 ARG CD C 13 43.18 0.12 . 1 . . . . . . . . 4081 1 1895 . 1 1 149 149 ARG N N 15 119.40 0.15 . 1 . . . . . . . . 4081 1 1896 . 1 1 150 150 SER H H 1 9.17 0.03 . 1 . . . . . . . . 4081 1 1897 . 1 1 150 150 SER HA H 1 3.37 0.03 . 1 . . . . . . . . 4081 1 1898 . 1 1 150 150 SER HB2 H 1 2.26 0.03 . 2 . . . . . . . . 4081 1 1899 . 1 1 150 150 SER HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4081 1 1900 . 1 1 150 150 SER C C 13 177.31 0.12 . 1 . . . . . . . . 4081 1 1901 . 1 1 150 150 SER CA C 13 61.39 0.12 . 1 . . . . . . . . 4081 1 1902 . 1 1 150 150 SER CB C 13 60.65 0.12 . 1 . . . . . . . . 4081 1 1903 . 1 1 150 150 SER N N 15 117.79 0.15 . 1 . . . . . . . . 4081 1 1904 . 1 1 151 151 PHE H H 1 9.49 0.03 . 1 . . . . . . . . 4081 1 1905 . 1 1 151 151 PHE HA H 1 4.05 0.03 . 1 . . . . . . . . 4081 1 1906 . 1 1 151 151 PHE HB2 H 1 3.02 0.03 . 2 . . . . . . . . 4081 1 1907 . 1 1 151 151 PHE HB3 H 1 3.02 0.03 . 2 . . . . . . . . 4081 1 1908 . 1 1 151 151 PHE HD1 H 1 6.92 0.03 . 3 . . . . . . . . 4081 1 1909 . 1 1 151 151 PHE HD2 H 1 6.92 0.03 . 3 . . . . . . . . 4081 1 1910 . 1 1 151 151 PHE HE1 H 1 7.24 0.03 . 3 . . . . . . . . 4081 1 1911 . 1 1 151 151 PHE HE2 H 1 7.24 0.03 . 3 . . . . . . . . 4081 1 1912 . 1 1 151 151 PHE HZ H 1 7.31 0.03 . 1 . . . . . . . . 4081 1 1913 . 1 1 151 151 PHE C C 13 178.81 0.12 . 1 . . . . . . . . 4081 1 1914 . 1 1 151 151 PHE CA C 13 61.60 0.12 . 1 . . . . . . . . 4081 1 1915 . 1 1 151 151 PHE CB C 13 39.34 0.12 . 1 . . . . . . . . 4081 1 1916 . 1 1 151 151 PHE N N 15 124.78 0.15 . 1 . . . . . . . . 4081 1 1917 . 1 1 152 152 SER H H 1 7.85 0.03 . 1 . . . . . . . . 4081 1 1918 . 1 1 152 152 SER HA H 1 3.99 0.03 . 1 . . . . . . . . 4081 1 1919 . 1 1 152 152 SER HB2 H 1 3.95 0.03 . 2 . . . . . . . . 4081 1 1920 . 1 1 152 152 SER HB3 H 1 3.95 0.03 . 2 . . . . . . . . 4081 1 1921 . 1 1 152 152 SER C C 13 175.95 0.12 . 1 . . . . . . . . 4081 1 1922 . 1 1 152 152 SER CA C 13 62.15 0.12 . 1 . . . . . . . . 4081 1 1923 . 1 1 152 152 SER CB C 13 62.65 0.12 . 1 . . . . . . . . 4081 1 1924 . 1 1 152 152 SER N N 15 115.54 0.15 . 1 . . . . . . . . 4081 1 1925 . 1 1 153 153 LEU H H 1 7.76 0.03 . 1 . . . . . . . . 4081 1 1926 . 1 1 153 153 LEU HA H 1 4.10 0.03 . 1 . . . . . . . . 4081 1 1927 . 1 1 153 153 LEU HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4081 1 1928 . 1 1 153 153 LEU HB3 H 1 1.48 0.03 . 1 . . . . . . . . 4081 1 1929 . 1 1 153 153 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1930 . 1 1 153 153 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1931 . 1 1 153 153 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4081 1 1932 . 1 1 153 153 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1933 . 1 1 153 153 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1934 . 1 1 153 153 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4081 1 1935 . 1 1 153 153 LEU C C 13 179.56 0.12 . 1 . . . . . . . . 4081 1 1936 . 1 1 153 153 LEU CA C 13 57.78 0.12 . 1 . . . . . . . . 4081 1 1937 . 1 1 153 153 LEU CB C 13 42.36 0.12 . 1 . . . . . . . . 4081 1 1938 . 1 1 153 153 LEU CG C 13 25.52 0.12 . 1 . . . . . . . . 4081 1 1939 . 1 1 153 153 LEU CD1 C 13 25.60 0.12 . 1 . . . . . . . . 4081 1 1940 . 1 1 153 153 LEU CD2 C 13 23.52 0.12 . 1 . . . . . . . . 4081 1 1941 . 1 1 153 153 LEU N N 15 121.18 0.15 . 1 . . . . . . . . 4081 1 1942 . 1 1 154 154 SER H H 1 7.88 0.03 . 1 . . . . . . . . 4081 1 1943 . 1 1 154 154 SER HA H 1 3.82 0.03 . 1 . . . . . . . . 4081 1 1944 . 1 1 154 154 SER HB2 H 1 3.45 0.03 . 2 . . . . . . . . 4081 1 1945 . 1 1 154 154 SER HB3 H 1 3.36 0.03 . 2 . . . . . . . . 4081 1 1946 . 1 1 154 154 SER C C 13 174.34 0.12 . 1 . . . . . . . . 4081 1 1947 . 1 1 154 154 SER CA C 13 61.50 0.12 . 1 . . . . . . . . 4081 1 1948 . 1 1 154 154 SER CB C 13 63.12 0.12 . 1 . . . . . . . . 4081 1 1949 . 1 1 154 154 SER N N 15 113.70 0.15 . 1 . . . . . . . . 4081 1 1950 . 1 1 155 155 THR H H 1 7.20 0.03 . 1 . . . . . . . . 4081 1 1951 . 1 1 155 155 THR HA H 1 4.09 0.03 . 1 . . . . . . . . 4081 1 1952 . 1 1 155 155 THR HB H 1 4.06 0.03 . 1 . . . . . . . . 4081 1 1953 . 1 1 155 155 THR HG21 H 1 0.67 0.03 . 1 . . . . . . . . 4081 1 1954 . 1 1 155 155 THR HG22 H 1 0.67 0.03 . 1 . . . . . . . . 4081 1 1955 . 1 1 155 155 THR HG23 H 1 0.67 0.03 . 1 . . . . . . . . 4081 1 1956 . 1 1 155 155 THR C C 13 174.91 0.12 . 1 . . . . . . . . 4081 1 1957 . 1 1 155 155 THR CA C 13 62.33 0.12 . 1 . . . . . . . . 4081 1 1958 . 1 1 155 155 THR CB C 13 69.40 0.12 . 1 . . . . . . . . 4081 1 1959 . 1 1 155 155 THR CG2 C 13 21.67 0.12 . 1 . . . . . . . . 4081 1 1960 . 1 1 155 155 THR N N 15 109.53 0.15 . 1 . . . . . . . . 4081 1 1961 . 1 1 156 156 ASN H H 1 7.77 0.03 . 1 . . . . . . . . 4081 1 1962 . 1 1 156 156 ASN HA H 1 4.58 0.03 . 1 . . . . . . . . 4081 1 1963 . 1 1 156 156 ASN HB2 H 1 2.94 0.03 . 2 . . . . . . . . 4081 1 1964 . 1 1 156 156 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 4081 1 1965 . 1 1 156 156 ASN HD21 H 1 6.82 0.03 . 2 . . . . . . . . 4081 1 1966 . 1 1 156 156 ASN HD22 H 1 7.49 0.03 . 2 . . . . . . . . 4081 1 1967 . 1 1 156 156 ASN C C 13 175.76 0.12 . 1 . . . . . . . . 4081 1 1968 . 1 1 156 156 ASN CA C 13 54.39 0.12 . 1 . . . . . . . . 4081 1 1969 . 1 1 156 156 ASN CB C 13 38.33 0.12 . 1 . . . . . . . . 4081 1 1970 . 1 1 156 156 ASN N N 15 119.39 0.15 . 1 . . . . . . . . 4081 1 1971 . 1 1 156 156 ASN ND2 N 15 111.60 0.15 . 1 . . . . . . . . 4081 1 1972 . 1 1 157 157 LEU H H 1 8.11 0.03 . 1 . . . . . . . . 4081 1 1973 . 1 1 157 157 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 4081 1 1974 . 1 1 157 157 LEU HB2 H 1 1.59 0.03 . 2 . . . . . . . . 4081 1 1975 . 1 1 157 157 LEU HB3 H 1 1.59 0.03 . 2 . . . . . . . . 4081 1 1976 . 1 1 157 157 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 4081 1 1977 . 1 1 157 157 LEU HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 1978 . 1 1 157 157 LEU HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 1979 . 1 1 157 157 LEU HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4081 1 1980 . 1 1 157 157 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 4081 1 1981 . 1 1 157 157 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 4081 1 1982 . 1 1 157 157 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 4081 1 1983 . 1 1 157 157 LEU C C 13 177.83 0.12 . 1 . . . . . . . . 4081 1 1984 . 1 1 157 157 LEU CA C 13 55.83 0.12 . 1 . . . . . . . . 4081 1 1985 . 1 1 157 157 LEU CB C 13 42.42 0.12 . 1 . . . . . . . . 4081 1 1986 . 1 1 157 157 LEU CG C 13 25.31 0.12 . 1 . . . . . . . . 4081 1 1987 . 1 1 157 157 LEU CD1 C 13 25.46 0.12 . 1 . . . . . . . . 4081 1 1988 . 1 1 157 157 LEU CD2 C 13 23.80 0.12 . 1 . . . . . . . . 4081 1 1989 . 1 1 157 157 LEU N N 15 120.38 0.15 . 1 . . . . . . . . 4081 1 1990 . 1 1 158 158 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 4081 1 1991 . 1 1 158 158 GLN HA H 1 4.13 0.03 . 1 . . . . . . . . 4081 1 1992 . 1 1 158 158 GLN HB2 H 1 1.98 0.03 . 2 . . . . . . . . 4081 1 1993 . 1 1 158 158 GLN HB3 H 1 2.08 0.03 . 2 . . . . . . . . 4081 1 1994 . 1 1 158 158 GLN HG2 H 1 2.31 0.03 . 2 . . . . . . . . 4081 1 1995 . 1 1 158 158 GLN HG3 H 1 2.31 0.03 . 2 . . . . . . . . 4081 1 1996 . 1 1 158 158 GLN HE21 H 1 6.77 0.03 . 2 . . . . . . . . 4081 1 1997 . 1 1 158 158 GLN HE22 H 1 7.43 0.03 . 2 . . . . . . . . 4081 1 1998 . 1 1 158 158 GLN C C 13 177.56 0.12 . 1 . . . . . . . . 4081 1 1999 . 1 1 158 158 GLN CA C 13 57.10 0.12 . 1 . . . . . . . . 4081 1 2000 . 1 1 158 158 GLN CB C 13 29.01 0.12 . 1 . . . . . . . . 4081 1 2001 . 1 1 158 158 GLN CG C 13 32.20 0.12 . 1 . . . . . . . . 4081 1 2002 . 1 1 158 158 GLN N N 15 119.58 0.15 . 1 . . . . . . . . 4081 1 2003 . 1 1 158 158 GLN NE2 N 15 111.26 0.15 . 1 . . . . . . . . 4081 1 2004 . 1 1 159 159 GLU H H 1 8.28 0.03 . 1 . . . . . . . . 4081 1 2005 . 1 1 159 159 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4081 1 2006 . 1 1 159 159 GLU HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4081 1 2007 . 1 1 159 159 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4081 1 2008 . 1 1 159 159 GLU HG2 H 1 2.36 0.03 . 2 . . . . . . . . 4081 1 2009 . 1 1 159 159 GLU HG3 H 1 2.36 0.03 . 2 . . . . . . . . 4081 1 2010 . 1 1 159 159 GLU C C 13 176.89 0.12 . 1 . . . . . . . . 4081 1 2011 . 1 1 159 159 GLU CA C 13 57.00 0.12 . 1 . . . . . . . . 4081 1 2012 . 1 1 159 159 GLU CB C 13 29.32 0.12 . 1 . . . . . . . . 4081 1 2013 . 1 1 159 159 GLU CG C 13 34.71 0.12 . 1 . . . . . . . . 4081 1 2014 . 1 1 159 159 GLU N N 15 119.96 0.15 . 1 . . . . . . . . 4081 1 2015 . 1 1 160 160 SER H H 1 8.15 0.03 . 1 . . . . . . . . 4081 1 2016 . 1 1 160 160 SER HA H 1 4.37 0.03 . 1 . . . . . . . . 4081 1 2017 . 1 1 160 160 SER HB2 H 1 3.87 0.03 . 2 . . . . . . . . 4081 1 2018 . 1 1 160 160 SER HB3 H 1 3.87 0.03 . 2 . . . . . . . . 4081 1 2019 . 1 1 160 160 SER C C 13 174.75 0.12 . 1 . . . . . . . . 4081 1 2020 . 1 1 160 160 SER CA C 13 59.10 0.12 . 1 . . . . . . . . 4081 1 2021 . 1 1 160 160 SER CB C 13 63.68 0.12 . 1 . . . . . . . . 4081 1 2022 . 1 1 160 160 SER N N 15 115.61 0.15 . 1 . . . . . . . . 4081 1 2023 . 1 1 161 161 LEU H H 1 8.00 0.03 . 1 . . . . . . . . 4081 1 2024 . 1 1 161 161 LEU HA H 1 4.32 0.03 . 1 . . . . . . . . 4081 1 2025 . 1 1 161 161 LEU HB2 H 1 1.64 0.03 . 2 . . . . . . . . 4081 1 2026 . 1 1 161 161 LEU HB3 H 1 1.52 0.03 . 2 . . . . . . . . 4081 1 2027 . 1 1 161 161 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 4081 1 2028 . 1 1 161 161 LEU HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 2029 . 1 1 161 161 LEU HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 2030 . 1 1 161 161 LEU HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4081 1 2031 . 1 1 161 161 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 2032 . 1 1 161 161 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 2033 . 1 1 161 161 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4081 1 2034 . 1 1 161 161 LEU C C 13 177.34 0.12 . 1 . . . . . . . . 4081 1 2035 . 1 1 161 161 LEU CA C 13 55.43 0.12 . 1 . . . . . . . . 4081 1 2036 . 1 1 161 161 LEU CB C 13 42.45 0.12 . 1 . . . . . . . . 4081 1 2037 . 1 1 161 161 LEU CG C 13 27.06 0.12 . 1 . . . . . . . . 4081 1 2038 . 1 1 161 161 LEU CD1 C 13 25.23 0.12 . 1 . . . . . . . . 4081 1 2039 . 1 1 161 161 LEU CD2 C 13 23.29 0.12 . 1 . . . . . . . . 4081 1 2040 . 1 1 161 161 LEU N N 15 122.82 0.15 . 1 . . . . . . . . 4081 1 2041 . 1 1 162 162 ARG H H 1 8.06 0.03 . 1 . . . . . . . . 4081 1 2042 . 1 1 162 162 ARG HA H 1 4.31 0.03 . 1 . . . . . . . . 4081 1 2043 . 1 1 162 162 ARG HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4081 1 2044 . 1 1 162 162 ARG HB3 H 1 1.75 0.03 . 2 . . . . . . . . 4081 1 2045 . 1 1 162 162 ARG HG2 H 1 1.62 0.03 . 2 . . . . . . . . 4081 1 2046 . 1 1 162 162 ARG HG3 H 1 1.62 0.03 . 2 . . . . . . . . 4081 1 2047 . 1 1 162 162 ARG HD2 H 1 3.17 0.03 . 2 . . . . . . . . 4081 1 2048 . 1 1 162 162 ARG HD3 H 1 3.17 0.03 . 2 . . . . . . . . 4081 1 2049 . 1 1 162 162 ARG C C 13 176.35 0.12 . 1 . . . . . . . . 4081 1 2050 . 1 1 162 162 ARG CA C 13 56.18 0.12 . 1 . . . . . . . . 4081 1 2051 . 1 1 162 162 ARG CB C 13 30.80 0.12 . 1 . . . . . . . . 4081 1 2052 . 1 1 162 162 ARG CG C 13 27.01 0.12 . 1 . . . . . . . . 4081 1 2053 . 1 1 162 162 ARG CD C 13 43.30 0.12 . 1 . . . . . . . . 4081 1 2054 . 1 1 162 162 ARG N N 15 120.43 0.15 . 1 . . . . . . . . 4081 1 2055 . 1 1 163 163 SER H H 1 8.21 0.03 . 1 . . . . . . . . 4081 1 2056 . 1 1 163 163 SER HA H 1 4.39 0.03 . 1 . . . . . . . . 4081 1 2057 . 1 1 163 163 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4081 1 2058 . 1 1 163 163 SER HB3 H 1 3.85 0.03 . 2 . . . . . . . . 4081 1 2059 . 1 1 163 163 SER C C 13 174.24 0.12 . 1 . . . . . . . . 4081 1 2060 . 1 1 163 163 SER CA C 13 58.64 0.12 . 1 . . . . . . . . 4081 1 2061 . 1 1 163 163 SER CB C 13 63.87 0.12 . 1 . . . . . . . . 4081 1 2062 . 1 1 163 163 SER N N 15 116.54 0.15 . 1 . . . . . . . . 4081 1 2063 . 1 1 164 164 LYS H H 1 8.25 0.03 . 1 . . . . . . . . 4081 1 2064 . 1 1 164 164 LYS HA H 1 4.31 0.03 . 1 . . . . . . . . 4081 1 2065 . 1 1 164 164 LYS HB2 H 1 1.84 0.03 . 2 . . . . . . . . 4081 1 2066 . 1 1 164 164 LYS HB3 H 1 1.72 0.03 . 2 . . . . . . . . 4081 1 2067 . 1 1 164 164 LYS HG2 H 1 1.41 0.03 . 2 . . . . . . . . 4081 1 2068 . 1 1 164 164 LYS HG3 H 1 1.41 0.03 . 2 . . . . . . . . 4081 1 2069 . 1 1 164 164 LYS HD2 H 1 1.65 0.03 . 2 . . . . . . . . 4081 1 2070 . 1 1 164 164 LYS HD3 H 1 1.65 0.03 . 2 . . . . . . . . 4081 1 2071 . 1 1 164 164 LYS HE2 H 1 2.97 0.03 . 2 . . . . . . . . 4081 1 2072 . 1 1 164 164 LYS HE3 H 1 2.97 0.03 . 2 . . . . . . . . 4081 1 2073 . 1 1 164 164 LYS C C 13 175.66 0.12 . 1 . . . . . . . . 4081 1 2074 . 1 1 164 164 LYS CA C 13 56.42 0.12 . 1 . . . . . . . . 4081 1 2075 . 1 1 164 164 LYS CB C 13 33.07 0.12 . 1 . . . . . . . . 4081 1 2076 . 1 1 164 164 LYS CG C 13 24.67 0.12 . 1 . . . . . . . . 4081 1 2077 . 1 1 164 164 LYS CD C 13 29.00 0.12 . 1 . . . . . . . . 4081 1 2078 . 1 1 164 164 LYS CE C 13 42.13 0.12 . 1 . . . . . . . . 4081 1 2079 . 1 1 164 164 LYS N N 15 122.82 0.15 . 1 . . . . . . . . 4081 1 2080 . 1 1 165 165 GLU H H 1 7.99 0.03 . 1 . . . . . . . . 4081 1 2081 . 1 1 165 165 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4081 1 2082 . 1 1 165 165 GLU HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4081 1 2083 . 1 1 165 165 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4081 1 2084 . 1 1 165 165 GLU HG2 H 1 2.33 0.03 . 2 . . . . . . . . 4081 1 2085 . 1 1 165 165 GLU HG3 H 1 2.33 0.03 . 2 . . . . . . . . 4081 1 2086 . 1 1 165 165 GLU CA C 13 57.24 0.12 . 1 . . . . . . . . 4081 1 2087 . 1 1 165 165 GLU CB C 13 29.90 0.12 . 1 . . . . . . . . 4081 1 2088 . 1 1 165 165 GLU CG C 13 34.31 0.12 . 1 . . . . . . . . 4081 1 2089 . 1 1 165 165 GLU N N 15 125.78 0.15 . 1 . . . . . . . . 4081 1 stop_ save_