data_4188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C2 Domain of Cytosolic Phospholipase A2 ; _BMRB_accession_number 4188 _BMRB_flat_file_name bmr4188.str _Entry_type original _Submission_date 1998-08-18 _Accession_date 1998-09-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Guang-Yi . . 2 McDonagh Thomas . . 3 Yu Hsiang-Ai . . 4 Nalefski Eric A. . 5 Clark James D. . 6 Cumming Dale A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 797 "13C chemical shifts" 576 "15N chemical shifts" 140 "coupling constants" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-08 original author . stop_ _Original_release_date 2000-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Membrane Interactions of the C2 Domain of Cytosolic Phospholipase A2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98332749 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Guang-Yi . . 2 McDonagh Thomas . . 3 Yu Hsiang-Ai . . 4 Nalefski Eric A. . 5 Clark James D. . 6 Cumming Dale A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 280 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 485 _Page_last 500 _Year 1998 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8589602 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wishart 'D S' S. . 2 Bigam 'C G' G. . 3 Yao J . . 4 Abildgaard F . . 5 Dyson 'H J' J. . 6 Oldfield E . . 7 Markley 'J L' L. . 8 Sykes 'B D' D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 135 _Page_last 140 _Year 1995 _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. ; save_ ################################## # Molecular system description # ################################## save_system_cPLA2-C2 _Saveframe_category molecular_system _Mol_system_name 'C2 Domain of Cytosolic Phospholipase A2' _Abbreviation_common cPLA2-C2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cPLA2-C2 $cPLA2-C2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cPLA2-C2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C2 Domain of Cytosolic Phospholipase A2' _Abbreviation_common cPLA2-C2 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; MSFIDPYQHIIVEHQYSHKF TVVVLRATKVTKGAFGDMLD TPDPYVELFISTTPDSRKRT RHFNNDINPVWNETFEFILD PNQENVLEITLMDANYVMDE TLGTATFTVSSMKVGEKKEV PFIFNQVTEMVLEMSLEV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 ILE 5 ASP 6 PRO 7 TYR 8 GLN 9 HIS 10 ILE 11 ILE 12 VAL 13 GLU 14 HIS 15 GLN 16 TYR 17 SER 18 HIS 19 LYS 20 PHE 21 THR 22 VAL 23 VAL 24 VAL 25 LEU 26 ARG 27 ALA 28 THR 29 LYS 30 VAL 31 THR 32 LYS 33 GLY 34 ALA 35 PHE 36 GLY 37 ASP 38 MET 39 LEU 40 ASP 41 THR 42 PRO 43 ASP 44 PRO 45 TYR 46 VAL 47 GLU 48 LEU 49 PHE 50 ILE 51 SER 52 THR 53 THR 54 PRO 55 ASP 56 SER 57 ARG 58 LYS 59 ARG 60 THR 61 ARG 62 HIS 63 PHE 64 ASN 65 ASN 66 ASP 67 ILE 68 ASN 69 PRO 70 VAL 71 TRP 72 ASN 73 GLU 74 THR 75 PHE 76 GLU 77 PHE 78 ILE 79 LEU 80 ASP 81 PRO 82 ASN 83 GLN 84 GLU 85 ASN 86 VAL 87 LEU 88 GLU 89 ILE 90 THR 91 LEU 92 MET 93 ASP 94 ALA 95 ASN 96 TYR 97 VAL 98 MET 99 ASP 100 GLU 101 THR 102 LEU 103 GLY 104 THR 105 ALA 106 THR 107 PHE 108 THR 109 VAL 110 SER 111 SER 112 MET 113 LYS 114 VAL 115 GLY 116 GLU 117 LYS 118 LYS 119 GLU 120 VAL 121 PRO 122 PHE 123 ILE 124 PHE 125 ASN 126 GLN 127 VAL 128 THR 129 GLU 130 MET 131 VAL 132 LEU 133 GLU 134 MET 135 SER 136 LEU 137 GLU 138 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BCI "C2 Domain Of Cytosolic Phospholipase A2, Nmr, Minimized Average Structure" 100.00 138 100.00 100.00 1.66e-95 PDB 1CJY "Human Cytosolic Phospholipase A2" 100.00 749 100.00 100.00 1.57e-88 PDB 1RLW "Calcium-Phospholipid Binding Domain From Cytosolic Phospholipase A2" 88.41 126 100.00 100.00 2.59e-82 DBJ BAE26047 "unnamed protein product [Mus musculus]" 100.00 748 97.83 98.55 5.76e-87 DBJ BAF83025 "unnamed protein product [Homo sapiens]" 100.00 749 100.00 100.00 1.45e-88 DBJ BAG64096 "unnamed protein product [Homo sapiens]" 92.03 689 100.00 100.00 1.72e-81 DBJ BAI46198 "phospholipase A2, group IVA [synthetic construct]" 100.00 749 100.00 100.00 1.57e-88 EMBL CAH92005 "hypothetical protein [Pongo abelii]" 100.00 749 97.83 98.55 2.28e-86 GB AAA60105 "phosphatidylcholine 2-acylhydrolase [Homo sapiens]" 100.00 749 100.00 100.00 1.57e-88 GB AAB00789 "phospholopid-binding protein [Homo sapiens]" 100.00 749 100.00 100.00 1.57e-88 GB AAB00796 "phospholopid-binding protein [Mus musculus]" 100.00 748 97.83 98.55 5.76e-87 GB AAB33847 "phospholipase A2 [Rattus sp.]" 100.00 752 97.83 98.55 7.57e-87 GB AAC21591 "cytosolic phospholipase A2 [Rattus norvegicus]" 100.00 752 97.83 98.55 7.90e-87 PRF 2022317A "phospholipase A2" 100.00 732 97.83 98.55 4.31e-87 REF NP_001075312 "cytosolic phospholipase A2 [Equus caballus]" 100.00 749 97.10 100.00 6.25e-87 REF NP_001126164 "cytosolic phospholipase A2 [Pongo abelii]" 100.00 749 97.83 98.55 2.28e-86 REF NP_001298122 "cytosolic phospholipase A2 isoform 2 [Homo sapiens]" 92.03 689 100.00 100.00 1.72e-81 REF NP_032895 "cytosolic phospholipase A2 isoform 1 [Mus musculus]" 100.00 748 97.83 98.55 5.76e-87 REF NP_077734 "cytosolic phospholipase A2 isoform 1 [Homo sapiens]" 100.00 749 100.00 100.00 1.57e-88 SP O77793 "RecName: Full=Cytosolic phospholipase A2; Short=cPLA2; AltName: Full=Phospholipase A2 group IVA; Includes: RecName: Full=Phosph" 100.00 749 97.10 100.00 6.25e-87 SP P47712 "RecName: Full=Cytosolic phospholipase A2; Short=cPLA2; AltName: Full=Phospholipase A2 group IVA; Includes: RecName: Full=Phosph" 100.00 749 100.00 100.00 1.57e-88 SP P47713 "RecName: Full=Cytosolic phospholipase A2; Short=cPLA2; AltName: Full=Phospholipase A2 group IVA; Includes: RecName: Full=Phosph" 100.00 748 97.83 98.55 5.76e-87 SP P50393 "RecName: Full=Cytosolic phospholipase A2; Short=cPLA2; AltName: Full=Phospholipase A2 group IVA; Includes: RecName: Full=Phosph" 100.00 752 97.83 98.55 7.57e-87 SP Q5R8A5 "RecName: Full=Cytosolic phospholipase A2; Short=cPLA2; AltName: Full=Phospholipase A2 group IVA; Includes: RecName: Full=Phosph" 100.00 749 97.83 98.55 2.28e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cPLA2-C2 human 9606 Eucaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $cPLA2-C2 'recombinant technology' 'Escherichia coli' Escherichia coli 'Proprietary Strain/GI400' pTrcHisB(Invitrogen) ; A cDNA fragment encoding amino acids 1-138 of human cytosolic Phospholipase A2 was subcloned into the NcoI/EcoRI sites of the vector such that the 5' codons encoding the N-terminal polyHis-tag were removed. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cPLA2-C2 0.5 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_one save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0 . M pH* 7.1 0.2 n/a pressure 1 . atm temperature 308 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label DSS C 13 'mehtyl protons' ppm 0.00 . indirect . . . 0.251449530 $citation_one DSS H 1 'mehtyl protons' ppm 0.00 . direct . . . 1.0 $citation_one DSS N 15 'mehtyl protons' ppm 0.00 . indirect . . . 0.101329118 $citation_one stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name cPLA2-C2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER HA H 4.51 . 1 2 . 2 SER C C 176.99 . 1 3 . 2 SER CA C 58.01 . 1 4 . 2 SER CB C 64.03 . 1 5 . 3 PHE H H 8.21 . 1 6 . 3 PHE HA H 4.80 . 1 7 . 3 PHE HB2 H 3.22 . 2 8 . 3 PHE HB3 H 3.16 . 2 9 . 3 PHE HD1 H 7.37 . 1 10 . 3 PHE HD2 H 7.37 . 1 11 . 3 PHE C C 175.08 . 1 12 . 3 PHE CA C 57.70 . 1 13 . 3 PHE CB C 40.02 . 1 14 . 3 PHE N N 121.57 . 1 15 . 4 ILE H H 8.00 . 1 16 . 4 ILE HA H 4.21 . 1 17 . 4 ILE HB H 1.83 . 1 18 . 4 ILE HG12 H 1.42 . 1 19 . 4 ILE HG13 H 1.42 . 1 20 . 4 ILE HG2 H 1.20 . 1 21 . 4 ILE HD1 H 0.90 . 1 22 . 4 ILE C C 174.92 . 1 23 . 4 ILE CA C 60.37 . 1 24 . 4 ILE CB C 39.00 . 1 25 . 4 ILE CG1 C 24.52 . 1 26 . 4 ILE CG2 C 19.94 . 1 27 . 4 ILE CD1 C 12.82 . 1 28 . 4 ILE N N 123.00 . 1 29 . 5 ASP H H 8.33 . 1 30 . 5 ASP HA H 4.90 . 1 31 . 5 ASP HB2 H 2.87 . 2 32 . 5 ASP HB3 H 2.71 . 2 33 . 5 ASP CA C 51.96 . 1 34 . 5 ASP CB C 41.94 . 1 35 . 5 ASP N N 126.38 . 1 36 . 6 PRO HA H 4.43 . 1 37 . 6 PRO HB2 H 2.25 . 2 38 . 6 PRO HB3 H 1.67 . 2 39 . 6 PRO HG2 H 2.02 . 2 40 . 6 PRO HG3 H 1.78 . 2 41 . 6 PRO HD2 H 3.99 . 2 42 . 6 PRO HD3 H 3.90 . 2 43 . 6 PRO C C 176.93 . 1 44 . 6 PRO CA C 63.84 . 1 45 . 6 PRO CB C 31.97 . 1 46 . 6 PRO CG C 26.83 . 1 47 . 6 PRO CD C 50.93 . 1 48 . 7 TYR H H 8.27 . 1 49 . 7 TYR HA H 4.63 . 1 50 . 7 TYR HB2 H 3.23 . 2 51 . 7 TYR HB3 H 3.05 . 2 52 . 7 TYR C C 175.98 . 1 53 . 7 TYR CA C 58.10 . 1 54 . 7 TYR CB C 38.15 . 1 55 . 7 TYR N N 118.51 . 1 56 . 8 GLN H H 7.86 . 1 57 . 8 GLN HA H 4.31 . 1 58 . 8 GLN HB2 H 2.13 . 2 59 . 8 GLN HB3 H 2.05 . 2 60 . 8 GLN HG2 H 2.36 . 1 61 . 8 GLN HG3 H 2.36 . 1 62 . 8 GLN HE21 H 6.92 . 2 63 . 8 GLN HE22 H 7.65 . 2 64 . 8 GLN CA C 56.24 . 1 65 . 8 GLN CB C 29.53 . 1 66 . 8 GLN CG C 33.81 . 1 67 . 8 GLN N N 120.08 . 1 68 . 8 GLN NE2 N 112.01 . 1 69 . 9 HIS HA H 4.71 . 1 70 . 9 HIS HB2 H 3.18 . 2 71 . 9 HIS HB3 H 3.23 . 2 72 . 9 HIS HD2 H 7.07 . 1 73 . 9 HIS HE1 H 8.05 . 1 74 . 9 HIS C C 174.70 . 1 75 . 9 HIS CA C 56.19 . 1 76 . 9 HIS CB C 30.32 . 1 77 . 9 HIS CD2 C 119.91 . 1 78 . 9 HIS CE1 C 138.06 . 1 79 . 10 ILE H H 7.95 . 1 80 . 10 ILE HA H 4.21 . 1 81 . 10 ILE HB H 1.82 . 1 82 . 10 ILE HG12 H 1.50 . 2 83 . 10 ILE HG13 H 1.20 . 2 84 . 10 ILE HG2 H 0.88 . 1 85 . 10 ILE HD1 H 0.90 . 1 86 . 10 ILE CA C 60.53 . 1 87 . 10 ILE CB C 39.27 . 1 88 . 10 ILE CG1 C 27.34 . 1 89 . 10 ILE CG2 C 17.41 . 1 90 . 10 ILE CD1 C 12.82 . 1 91 . 10 ILE N N 121.94 . 1 92 . 11 ILE H H 8.24 . 1 93 . 11 ILE HA H 4.26 . 1 94 . 11 ILE HB H 1.92 . 1 95 . 11 ILE HG12 H 1.52 . 2 96 . 11 ILE HG13 H 1.23 . 2 97 . 11 ILE HG2 H 0.94 . 1 98 . 11 ILE HD1 H 0.93 . 1 99 . 11 ILE C C 175.65 . 1 100 . 11 ILE CA C 61.02 . 1 101 . 11 ILE CB C 38.79 . 1 102 . 11 ILE CG1 C 27.34 . 1 103 . 11 ILE CG2 C 17.41 . 1 104 . 11 ILE CD1 C 12.82 . 1 105 . 11 ILE N N 125.60 . 1 106 . 12 VAL H H 8.24 . 1 107 . 12 VAL HA H 4.20 . 1 108 . 12 VAL HB H 2.13 . 1 109 . 12 VAL HG1 H 0.96 . 2 110 . 12 VAL HG2 H 1.00 . 2 111 . 12 VAL C C 175.82 . 1 112 . 12 VAL CA C 62.02 . 1 113 . 12 VAL CB C 33.07 . 1 114 . 12 VAL CG1 C 21.34 . 2 115 . 12 VAL CG2 C 20.63 . 2 116 . 12 VAL N N 125.45 . 1 117 . 13 GLU H H 8.47 . 1 118 . 13 GLU HA H 4.34 . 1 119 . 13 GLU HB2 H 2.05 . 2 120 . 13 GLU HB3 H 1.99 . 2 121 . 13 GLU HG2 H 2.31 . 2 122 . 13 GLU HG3 H 2.26 . 2 123 . 13 GLU C C 176.11 . 1 124 . 13 GLU CA C 56.82 . 1 125 . 13 GLU CB C 30.52 . 1 126 . 13 GLU CG C 36.42 . 1 127 . 13 GLU N N 124.47 . 1 128 . 14 HIS H H 8.29 . 1 129 . 14 HIS HA H 4.68 . 1 130 . 14 HIS HB2 H 3.14 . 2 131 . 14 HIS HB3 H 3.20 . 2 132 . 14 HIS CA C 56.06 . 1 133 . 14 HIS CB C 30.64 . 1 134 . 14 HIS N N 120.06 . 1 135 . 15 GLN H H 8.45 . 1 136 . 15 GLN HA H 4.37 . 1 137 . 15 GLN HB2 H 2.04 . 1 138 . 15 GLN HB3 H 2.04 . 1 139 . 15 GLN HG2 H 2.18 . 2 140 . 15 GLN HG3 H 2.32 . 2 141 . 15 GLN HE21 H 6.89 . 2 142 . 15 GLN HE22 H 7.58 . 2 143 . 15 GLN C C 175.25 . 1 144 . 15 GLN CA C 56.17 . 1 145 . 15 GLN CB C 29.46 . 1 146 . 15 GLN CG C 33.58 . 1 147 . 15 GLN N N 121.89 . 1 148 . 15 GLN NE2 N 111.91 . 1 149 . 16 TYR H H 8.26 . 1 150 . 16 TYR HA H 4.69 . 1 151 . 16 TYR HB2 H 3.08 . 1 152 . 16 TYR HB3 H 3.08 . 1 153 . 16 TYR HD1 H 7.27 . 1 154 . 16 TYR HD2 H 7.27 . 1 155 . 16 TYR HE1 H 7.00 . 1 156 . 16 TYR HE2 H 7.00 . 1 157 . 16 TYR C C 174.96 . 1 158 . 16 TYR CA C 57.34 . 1 159 . 16 TYR CB C 38.00 . 1 160 . 16 TYR CD1 C 133.08 . 1 161 . 16 TYR CD2 C 133.08 . 1 162 . 16 TYR CE1 C 118.26 . 1 163 . 16 TYR CE2 C 118.26 . 1 164 . 16 TYR N N 121.36 . 1 165 . 17 SER H H 8.06 . 1 166 . 17 SER HA H 4.75 . 1 167 . 17 SER HB2 H 4.01 . 2 168 . 17 SER HB3 H 3.92 . 2 169 . 17 SER C C 174.02 . 1 170 . 17 SER CA C 58.30 . 1 171 . 17 SER CB C 65.38 . 1 172 . 17 SER N N 115.36 . 1 173 . 18 HIS H H 8.96 . 1 174 . 18 HIS HA H 5.28 . 1 175 . 18 HIS HB2 H 3.03 . 1 176 . 18 HIS HB3 H 3.03 . 1 177 . 18 HIS C C 174.39 . 1 178 . 18 HIS CA C 54.93 . 1 179 . 18 HIS CB C 33.77 . 1 180 . 18 HIS N N 122.14 . 1 181 . 19 LYS H H 9.33 . 1 182 . 19 LYS HA H 5.00 . 1 183 . 19 LYS HB2 H 1.88 . 2 184 . 19 LYS HB3 H 1.81 . 2 185 . 19 LYS HG2 H 1.42 . 1 186 . 19 LYS HG3 H 1.42 . 1 187 . 19 LYS HD2 H 1.69 . 1 188 . 19 LYS HD3 H 1.69 . 1 189 . 19 LYS HE2 H 2.95 . 1 190 . 19 LYS HE3 H 2.95 . 1 191 . 19 LYS C C 174.79 . 1 192 . 19 LYS CA C 56.20 . 1 193 . 19 LYS CB C 33.03 . 1 194 . 19 LYS CG C 24.96 . 1 195 . 19 LYS CD C 29.24 . 1 196 . 19 LYS CE C 41.85 . 1 197 . 19 LYS N N 123.74 . 1 198 . 20 PHE H H 9.66 . 1 199 . 20 PHE HA H 6.10 . 1 200 . 20 PHE HB2 H 3.27 . 2 201 . 20 PHE HB3 H 3.06 . 2 202 . 20 PHE HD1 H 7.33 . 1 203 . 20 PHE HD2 H 7.33 . 1 204 . 20 PHE HE1 H 7.25 . 1 205 . 20 PHE HE2 H 7.25 . 1 206 . 20 PHE C C 173.62 . 1 207 . 20 PHE CA C 54.38 . 1 208 . 20 PHE CB C 42.81 . 1 209 . 20 PHE CD1 C 131.90 . 1 210 . 20 PHE CD2 C 131.90 . 1 211 . 20 PHE CE1 C 132.99 . 1 212 . 20 PHE CE2 C 132.99 . 1 213 . 20 PHE N N 133.10 . 1 214 . 21 THR H H 9.05 . 1 215 . 21 THR HA H 5.10 . 1 216 . 21 THR HB H 4.00 . 1 217 . 21 THR HG2 H 1.14 . 1 218 . 21 THR C C 172.80 . 1 219 . 21 THR CA C 62.22 . 1 220 . 21 THR CB C 69.82 . 1 221 . 21 THR CG2 C 21.83 . 1 222 . 21 THR N N 125.97 . 1 223 . 22 VAL H H 9.17 . 1 224 . 22 VAL HA H 4.70 . 1 225 . 22 VAL HB H 2.02 . 1 226 . 22 VAL HG1 H 0.92 . 2 227 . 22 VAL HG2 H 0.60 . 2 228 . 22 VAL C C 174.26 . 1 229 . 22 VAL CA C 60.19 . 1 230 . 22 VAL CB C 35.35 . 1 231 . 22 VAL CG1 C 22.67 . 2 232 . 22 VAL CG2 C 22.65 . 2 233 . 22 VAL N N 125.96 . 1 234 . 23 VAL H H 9.66 . 1 235 . 23 VAL HA H 5.00 . 1 236 . 23 VAL HB H 2.21 . 1 237 . 23 VAL HG1 H 0.76 . 2 238 . 23 VAL HG2 H 1.00 . 2 239 . 23 VAL C C 177.51 . 1 240 . 23 VAL CA C 60.13 . 1 241 . 23 VAL CB C 33.09 . 1 242 . 23 VAL CG1 C 20.90 . 2 243 . 23 VAL CG2 C 20.29 . 2 244 . 23 VAL N N 127.98 . 1 245 . 24 VAL H H 9.62 . 1 246 . 24 VAL HA H 4.21 . 1 247 . 24 VAL HB H 2.25 . 1 248 . 24 VAL HG1 H 0.94 . 2 249 . 24 VAL HG2 H 0.75 . 2 250 . 24 VAL C C 175.68 . 1 251 . 24 VAL CA C 62.20 . 1 252 . 24 VAL CB C 30.89 . 1 253 . 24 VAL CG1 C 21.36 . 2 254 . 24 VAL CG2 C 22.46 . 2 255 . 24 VAL N N 128.54 . 1 256 . 25 LEU H H 8.02 . 1 257 . 25 LEU HA H 4.75 . 1 258 . 25 LEU HB2 H 2.28 . 2 259 . 25 LEU HB3 H 1.70 . 2 260 . 25 LEU HG H 1.76 . 1 261 . 25 LEU HD1 H 0.98 . 1 262 . 25 LEU HD2 H 0.98 . 1 263 . 25 LEU C C 176.57 . 1 264 . 25 LEU CA C 58.51 . 1 265 . 25 LEU CB C 42.08 . 1 266 . 25 LEU CG C 26.82 . 1 267 . 25 LEU CD1 C 23.92 . 2 268 . 25 LEU CD2 C 26.46 . 2 269 . 25 LEU N N 128.31 . 1 270 . 26 ARG H H 7.74 . 1 271 . 26 ARG HA H 5.49 . 1 272 . 26 ARG HB2 H 2.25 . 2 273 . 26 ARG HB3 H 2.12 . 2 274 . 26 ARG HG2 H 1.59 . 2 275 . 26 ARG HG3 H 1.45 . 2 276 . 26 ARG HD2 H 3.20 . 1 277 . 26 ARG HD3 H 3.20 . 1 278 . 26 ARG C C 173.33 . 1 279 . 26 ARG CA C 54.38 . 1 280 . 26 ARG CB C 33.07 . 1 281 . 26 ARG CG C 25.69 . 1 282 . 26 ARG CD C 42.88 . 1 283 . 26 ARG N N 110.78 . 1 284 . 27 ALA H H 8.79 . 1 285 . 27 ALA HA H 5.91 . 1 286 . 27 ALA HB H 1.45 . 1 287 . 27 ALA C C 175.75 . 1 288 . 27 ALA CA C 50.84 . 1 289 . 27 ALA CB C 22.82 . 1 290 . 27 ALA N N 119.80 . 1 291 . 28 THR H H 9.20 . 1 292 . 28 THR HA H 5.33 . 1 293 . 28 THR HB H 4.29 . 1 294 . 28 THR HG2 H 1.28 . 1 295 . 28 THR C C 173.49 . 1 296 . 28 THR CA C 59.41 . 1 297 . 28 THR CB C 71.80 . 1 298 . 28 THR CG2 C 21.99 . 1 299 . 28 THR N N 111.85 . 1 300 . 29 LYS H H 8.53 . 1 301 . 29 LYS HA H 3.54 . 1 302 . 29 LYS HB2 H 2.18 . 1 303 . 29 LYS HB3 H 2.18 . 1 304 . 29 LYS HG2 H 1.58 . 2 305 . 29 LYS HG3 H 1.52 . 2 306 . 29 LYS HD2 H 1.80 . 1 307 . 29 LYS HD3 H 1.80 . 1 308 . 29 LYS HE2 H 3.14 . 1 309 . 29 LYS HE3 H 3.14 . 1 310 . 29 LYS C C 177.05 . 1 311 . 29 LYS CA C 57.48 . 1 312 . 29 LYS CB C 29.81 . 1 313 . 29 LYS CG C 26.09 . 1 314 . 29 LYS CD C 29.59 . 1 315 . 29 LYS CE C 42.11 . 1 316 . 29 LYS N N 119.73 . 1 317 . 30 VAL H H 9.58 . 1 318 . 30 VAL HA H 3.83 . 1 319 . 30 VAL HB H 1.98 . 1 320 . 30 VAL HG1 H 0.95 . 1 321 . 30 VAL HG2 H 0.95 . 1 322 . 30 VAL C C 174.43 . 1 323 . 30 VAL CA C 65.21 . 1 324 . 30 VAL CB C 31.42 . 1 325 . 30 VAL CG1 C 22.84 . 1 326 . 30 VAL CG2 C 22.84 . 1 327 . 30 VAL N N 122.14 . 1 328 . 31 THR H H 7.13 . 1 329 . 31 THR HA H 5.20 . 1 330 . 31 THR HB H 4.20 . 1 331 . 31 THR HG2 H 1.28 . 1 332 . 31 THR C C 171.90 . 1 333 . 31 THR CA C 59.24 . 1 334 . 31 THR CB C 70.26 . 1 335 . 31 THR CG2 C 18.00 . 1 336 . 31 THR N N 119.23 . 1 337 . 32 LYS H H 10.50 . 1 338 . 32 LYS HA H 4.60 . 1 339 . 32 LYS HB2 H 2.23 . 2 340 . 32 LYS HB3 H 1.76 . 2 341 . 32 LYS HG2 H 1.67 . 2 342 . 32 LYS HG3 H 1.33 . 2 343 . 32 LYS HD2 H 1.77 . 2 344 . 32 LYS HD3 H 1.67 . 2 345 . 32 LYS HE2 H 2.86 . 1 346 . 32 LYS HE3 H 2.86 . 1 347 . 32 LYS C C 175.00 . 1 348 . 32 LYS CA C 56.00 . 1 349 . 32 LYS CB C 32.98 . 1 350 . 32 LYS CG C 26.01 . 1 351 . 32 LYS CD C 29.87 . 1 352 . 32 LYS CE C 41.78 . 1 353 . 32 LYS N N 129.44 . 1 354 . 33 GLY H H 8.92 . 1 355 . 33 GLY HA2 H 4.64 . 2 356 . 33 GLY HA3 H 3.84 . 2 357 . 33 GLY C C 173.22 . 1 358 . 33 GLY CA C 43.96 . 1 359 . 33 GLY N N 111.75 . 1 360 . 34 ALA H H 8.45 . 1 361 . 34 ALA HA H 4.13 . 1 362 . 34 ALA HB H 1.47 . 1 363 . 34 ALA C C 179.99 . 1 364 . 34 ALA CA C 55.97 . 1 365 . 34 ALA CB C 18.52 . 1 366 . 34 ALA N N 122.52 . 1 367 . 35 PHE H H 8.41 . 1 368 . 35 PHE HA H 4.51 . 1 369 . 35 PHE HB2 H 3.26 . 2 370 . 35 PHE HB3 H 3.17 . 2 371 . 35 PHE HD1 H 7.40 . 1 372 . 35 PHE HD2 H 7.40 . 1 373 . 35 PHE C C 178.04 . 1 374 . 35 PHE CA C 60.36 . 1 375 . 35 PHE CB C 38.83 . 1 376 . 35 PHE N N 117.26 . 1 377 . 36 GLY H H 8.53 . 1 378 . 36 GLY HA2 H 3.78 . 1 379 . 36 GLY HA3 H 3.78 . 1 380 . 36 GLY C C 176.68 . 1 381 . 36 GLY CA C 47.43 . 1 382 . 36 GLY N N 107.72 . 1 383 . 37 ASP H H 8.70 . 1 384 . 37 ASP HA H 4.65 . 1 385 . 37 ASP HB2 H 2.78 . 2 386 . 37 ASP HB3 H 2.72 . 2 387 . 37 ASP C C 178.21 . 1 388 . 37 ASP CA C 56.28 . 1 389 . 37 ASP CB C 39.81 . 1 390 . 37 ASP N N 122.60 . 1 391 . 38 MET H H 7.51 . 1 392 . 38 MET HA H 4.21 . 1 393 . 38 MET HB2 H 2.24 . 1 394 . 38 MET HB3 H 2.24 . 1 395 . 38 MET HG2 H 2.85 . 2 396 . 38 MET HG3 H 2.66 . 2 397 . 38 MET C C 177.84 . 1 398 . 38 MET CA C 57.78 . 1 399 . 38 MET CB C 32.27 . 1 400 . 38 MET CG C 31.93 . 1 401 . 38 MET N N 118.60 . 1 402 . 39 LEU H H 7.17 . 1 403 . 39 LEU HA H 4.28 . 1 404 . 39 LEU HB2 H 1.78 . 2 405 . 39 LEU HB3 H 1.62 . 2 406 . 39 LEU HG H 1.62 . 1 407 . 39 LEU HD1 H 0.88 . 2 408 . 39 LEU HD2 H 0.86 . 2 409 . 39 LEU CA C 56.06 . 1 410 . 39 LEU CB C 42.89 . 1 411 . 39 LEU CG C 26.98 . 1 412 . 39 LEU CD1 C 25.36 . 2 413 . 39 LEU CD2 C 22.80 . 2 414 . 39 LEU N N 117.52 . 1 415 . 40 ASP H H 7.70 . 1 416 . 40 ASP HA H 4.73 . 1 417 . 40 ASP HB2 H 2.91 . 2 418 . 40 ASP HB3 H 2.40 . 2 419 . 40 ASP CA C 53.26 . 1 420 . 40 ASP CB C 41.85 . 1 421 . 40 ASP N N 118.58 . 1 422 . 41 THR H H 8.06 . 1 423 . 41 THR HA H 4.42 . 1 424 . 41 THR HB H 4.16 . 1 425 . 41 THR HG2 H 1.32 . 1 426 . 41 THR CA C 62.08 . 1 427 . 41 THR CB C 68.77 . 1 428 . 41 THR CG2 C 21.37 . 1 429 . 41 THR N N 124.83 . 1 430 . 42 PRO HA H 3.90 . 1 431 . 42 PRO HB2 H 1.89 . 2 432 . 42 PRO HB3 H 1.72 . 2 433 . 42 PRO HG2 H 1.87 . 2 434 . 42 PRO HG3 H 2.10 . 2 435 . 42 PRO HD2 H 4.24 . 2 436 . 42 PRO HD3 H 3.61 . 2 437 . 42 PRO C C 171.56 . 1 438 . 42 PRO CA C 64.77 . 1 439 . 42 PRO CB C 33.68 . 1 440 . 42 PRO CG C 27.20 . 1 441 . 42 PRO CD C 50.51 . 1 442 . 43 ASP H H 9.31 . 1 443 . 43 ASP HA H 6.16 . 1 444 . 43 ASP HB2 H 3.57 . 2 445 . 43 ASP HB3 H 2.99 . 2 446 . 43 ASP CA C 51.52 . 1 447 . 43 ASP CB C 41.63 . 1 448 . 43 ASP N N 121.63 . 1 449 . 44 PRO HA H 5.91 . 1 450 . 44 PRO HB2 H 2.29 . 1 451 . 44 PRO HB3 H 2.29 . 1 452 . 44 PRO HG2 H 2.37 . 2 453 . 44 PRO HG3 H 2.07 . 2 454 . 44 PRO HD2 H 4.09 . 2 455 . 44 PRO HD3 H 4.02 . 2 456 . 44 PRO C C 177.59 . 1 457 . 44 PRO CA C 64.45 . 1 458 . 44 PRO CB C 34.27 . 1 459 . 44 PRO CG C 28.36 . 1 460 . 44 PRO CD C 51.76 . 1 461 . 45 TYR H H 8.86 . 1 462 . 45 TYR HA H 4.92 . 1 463 . 45 TYR HB2 H 2.95 . 1 464 . 45 TYR HB3 H 2.95 . 1 465 . 45 TYR HD1 H 7.08 . 1 466 . 45 TYR HD2 H 7.08 . 1 467 . 45 TYR HE1 H 6.90 . 1 468 . 45 TYR HE2 H 6.90 . 1 469 . 45 TYR C C 176.98 . 1 470 . 45 TYR CA C 56.39 . 1 471 . 45 TYR CB C 41.14 . 1 472 . 45 TYR CD1 C 130.53 . 1 473 . 45 TYR CD2 C 130.53 . 1 474 . 45 TYR CE1 C 118.27 . 1 475 . 45 TYR CE2 C 118.27 . 1 476 . 45 TYR N N 115.16 . 1 477 . 46 VAL H H 8.07 . 1 478 . 46 VAL HA H 4.73 . 1 479 . 46 VAL HB H 1.20 . 1 480 . 46 VAL HG1 H 0.59 . 2 481 . 46 VAL HG2 H -0.002 . 2 482 . 46 VAL C C 174.07 . 1 483 . 46 VAL CA C 60.72 . 1 484 . 46 VAL CB C 34.93 . 1 485 . 46 VAL CG1 C 21.60 . 2 486 . 46 VAL CG2 C 22.42 . 2 487 . 46 VAL N N 120.11 . 1 488 . 47 GLU H H 9.03 . 1 489 . 47 GLU HA H 5.34 . 1 490 . 47 GLU HB2 H 2.11 . 2 491 . 47 GLU HB3 H 1.97 . 2 492 . 47 GLU HG2 H 2.38 . 2 493 . 47 GLU HG3 H 2.25 . 2 494 . 47 GLU C C 174.21 . 1 495 . 47 GLU CA C 54.56 . 1 496 . 47 GLU CB C 34.09 . 1 497 . 47 GLU CG C 38.12 . 1 498 . 47 GLU N N 126.52 . 1 499 . 48 LEU H H 9.12 . 1 500 . 48 LEU HA H 5.47 . 1 501 . 48 LEU HB2 H 1.63 . 2 502 . 48 LEU HB3 H 1.49 . 2 503 . 48 LEU HG H 1.34 . 1 504 . 48 LEU HD1 H 0.75 . 2 505 . 48 LEU HD2 H 0.55 . 2 506 . 48 LEU C C 175.53 . 1 507 . 48 LEU CA C 53.18 . 1 508 . 48 LEU CB C 46.17 . 1 509 . 48 LEU CG C 26.98 . 1 510 . 48 LEU CD1 C 24.56 . 2 511 . 48 LEU CD2 C 26.84 . 2 512 . 48 LEU N N 124.20 . 1 513 . 49 PHE H H 8.45 . 1 514 . 49 PHE HA H 5.21 . 1 515 . 49 PHE HB2 H 3.30 . 2 516 . 49 PHE HB3 H 2.94 . 2 517 . 49 PHE HD1 H 7.18 . 1 518 . 49 PHE HD2 H 7.18 . 1 519 . 49 PHE HE1 H 7.40 . 1 520 . 49 PHE HE2 H 7.40 . 1 521 . 49 PHE HZ H 7.30 . 1 522 . 49 PHE C C 173.18 . 1 523 . 49 PHE CA C 56.80 . 1 524 . 49 PHE CB C 43.35 . 1 525 . 49 PHE N N 118.91 . 1 526 . 50 ILE H H 8.01 . 1 527 . 50 ILE HA H 4.58 . 1 528 . 50 ILE HB H 1.62 . 1 529 . 50 ILE HG12 H 1.08 . 2 530 . 50 ILE HG13 H 0.80 . 2 531 . 50 ILE HG2 H 0.77 . 1 532 . 50 ILE HD1 H 0.20 . 1 533 . 50 ILE C C 176.58 . 1 534 . 50 ILE CA C 59.77 . 1 535 . 50 ILE CB C 38.95 . 1 536 . 50 ILE CG1 C 27.31 . 1 537 . 50 ILE CG2 C 17.27 . 1 538 . 50 ILE CD1 C 12.82 . 1 539 . 50 ILE N N 123.57 . 1 540 . 51 SER H H 9.29 . 1 541 . 51 SER HA H 3.86 . 1 542 . 51 SER HB2 H 4.14 . 2 543 . 51 SER HB3 H 4.03 . 2 544 . 51 SER C C 175.63 . 1 545 . 51 SER CA C 61.47 . 1 546 . 51 SER CB C 63.17 . 1 547 . 51 SER N N 123.57 . 1 548 . 52 THR H H 7.22 . 1 549 . 52 THR HA H 4.37 . 1 550 . 52 THR HB H 4.68 . 1 551 . 52 THR HG2 H 1.34 . 1 552 . 52 THR C C 174.84 . 1 553 . 52 THR CA C 61.52 . 1 554 . 52 THR CB C 68.56 . 1 555 . 52 THR CG2 C 23.02 . 1 556 . 52 THR N N 108.53 . 1 557 . 53 THR H H 7.81 . 1 558 . 53 THR HA H 5.15 . 1 559 . 53 THR HB H 4.30 . 1 560 . 53 THR HG2 H 1.43 . 1 561 . 53 THR CA C 58.73 . 1 562 . 53 THR CB C 71.02 . 1 563 . 53 THR CG2 C 21.76 . 1 564 . 53 THR N N 117.94 . 1 565 . 54 PRO HA H 4.51 . 1 566 . 54 PRO HB2 H 2.41 . 2 567 . 54 PRO HB3 H 2.07 . 2 568 . 54 PRO HG2 H 2.08 . 1 569 . 54 PRO HG3 H 2.08 . 1 570 . 54 PRO HD2 H 3.90 . 1 571 . 54 PRO HD3 H 3.80 . 1 572 . 54 PRO C C 176.74 . 1 573 . 54 PRO CA C 64.45 . 1 574 . 54 PRO CB C 32.30 . 1 575 . 54 PRO CG C 26.96 . 1 576 . 54 PRO CD C 51.24 . 1 577 . 55 ASP H H 8.65 . 1 578 . 55 ASP HA H 4.81 . 1 579 . 55 ASP HB2 H 3.01 . 2 580 . 55 ASP HB3 H 2.80 . 2 581 . 55 ASP C C 176.55 . 1 582 . 55 ASP CA C 54.56 . 1 583 . 55 ASP CB C 40.20 . 1 584 . 55 ASP N N 118.52 . 1 585 . 56 SER H H 7.93 . 1 586 . 56 SER HA H 4.66 . 1 587 . 56 SER HB2 H 4.26 . 2 588 . 56 SER HB3 H 4.16 . 2 589 . 56 SER C C 173.67 . 1 590 . 56 SER CA C 58.73 . 1 591 . 56 SER CB C 64.79 . 1 592 . 56 SER N N 113.35 . 1 593 . 57 ARG H H 8.12 . 1 594 . 57 ARG HA H 5.43 . 1 595 . 57 ARG HB2 H 1.96 . 1 596 . 57 ARG HB3 H 1.96 . 1 597 . 57 ARG HG2 H 1.73 . 2 598 . 57 ARG HG3 H 1.51 . 2 599 . 57 ARG HD2 H 3.32 . 2 600 . 57 ARG HD3 H 3.07 . 2 601 . 57 ARG C C 176.41 . 1 602 . 57 ARG CA C 56.58 . 1 603 . 57 ARG CB C 31.50 . 1 604 . 57 ARG CG C 27.72 . 1 605 . 57 ARG CD C 42.94 . 1 606 . 57 ARG N N 121.37 . 1 607 . 58 LYS H H 9.08 . 1 608 . 58 LYS HA H 4.87 . 1 609 . 58 LYS HB2 H 1.62 . 2 610 . 58 LYS HB3 H 1.23 . 2 611 . 58 LYS HG2 H 1.61 . 2 612 . 58 LYS HG3 H 1.31 . 2 613 . 58 LYS HD2 H 1.86 . 2 614 . 58 LYS HD3 H 1.52 . 2 615 . 58 LYS HE2 H 2.85 . 1 616 . 58 LYS HE3 H 2.85 . 1 617 . 58 LYS C C 174.31 . 1 618 . 58 LYS CA C 53.70 . 1 619 . 58 LYS CB C 36.71 . 1 620 . 58 LYS CG C 25.34 . 1 621 . 58 LYS CD C 28.89 . 1 622 . 58 LYS CE C 42.72 . 1 623 . 58 LYS N N 126.93 . 1 624 . 59 ARG H H 8.50 . 1 625 . 59 ARG HA H 5.72 . 1 626 . 59 ARG HB2 H 1.93 . 2 627 . 59 ARG HB3 H 2.19 . 2 628 . 59 ARG HG2 H 1.93 . 2 629 . 59 ARG HG3 H 1.58 . 2 630 . 59 ARG HD2 H 3.08 . 2 631 . 59 ARG HD3 H 3.02 . 2 632 . 59 ARG C C 175.96 . 1 633 . 59 ARG CA C 54.42 . 1 634 . 59 ARG CB C 34.08 . 1 635 . 59 ARG CG C 25.28 . 1 636 . 59 ARG CD C 43.17 . 1 637 . 59 ARG N N 116.34 . 1 638 . 60 THR H H 8.60 . 1 639 . 60 THR HA H 5.20 . 1 640 . 60 THR HB H 4.82 . 1 641 . 60 THR HG2 H 0.97 . 1 642 . 60 THR C C 176.09 . 1 643 . 60 THR CA C 60.92 . 1 644 . 60 THR CB C 72.54 . 1 645 . 60 THR CG2 C 20.38 . 1 646 . 60 THR N N 110.82 . 1 647 . 61 ARG H H 9.88 . 1 648 . 61 ARG HA H 4.55 . 1 649 . 61 ARG HB2 H 1.99 . 2 650 . 61 ARG HB3 H 1.89 . 2 651 . 61 ARG HG2 H 2.05 . 2 652 . 61 ARG HG3 H 1.33 . 2 653 . 61 ARG HD2 H 3.23 . 2 654 . 61 ARG HD3 H 3.11 . 2 655 . 61 ARG C C 176.86 . 1 656 . 61 ARG CA C 56.59 . 1 657 . 61 ARG CB C 30.16 . 1 658 . 61 ARG CG C 26.21 . 1 659 . 61 ARG CD C 43.59 . 1 660 . 61 ARG N N 176.86 . 1 661 . 62 HIS H H 8.29 . 1 662 . 62 HIS HA H 6.26 . 1 663 . 62 HIS HB2 H 3.23 . 2 664 . 62 HIS HB3 H 2.76 . 2 665 . 62 HIS C C 174.35 . 1 666 . 62 HIS CA C 53.89 . 1 667 . 62 HIS CB C 33.45 . 1 668 . 62 HIS N N 119.92 . 1 669 . 63 PHE H H 7.62 . 1 670 . 63 PHE HA H 4.77 . 1 671 . 63 PHE HB2 H 3.30 . 2 672 . 63 PHE HB3 H 2.62 . 2 673 . 63 PHE C C 174.63 . 1 674 . 63 PHE CA C 56.35 . 1 675 . 63 PHE CB C 43.53 . 1 676 . 63 PHE N N 119.31 . 1 677 . 64 ASN H H 8.87 . 1 678 . 64 ASN HA H 5.23 . 1 679 . 64 ASN HB2 H 2.85 . 2 680 . 64 ASN HB3 H 2.66 . 2 681 . 64 ASN HD21 H 7.09 . 2 682 . 64 ASN HD22 H 7.63 . 2 683 . 64 ASN C C 175.04 . 1 684 . 64 ASN CA C 52.90 . 1 685 . 64 ASN CB C 40.01 . 1 686 . 64 ASN N N 118.31 . 1 687 . 64 ASN ND2 N 114.29 . 1 688 . 65 ASN H H 10.56 . 1 689 . 65 ASN HA H 4.13 . 1 690 . 65 ASN HB2 H 3.17 . 2 691 . 65 ASN HB3 H 2.74 . 2 692 . 65 ASN HD21 H 7.17 . 2 693 . 65 ASN HD22 H 8.06 . 2 694 . 65 ASN C C 173.42 . 1 695 . 65 ASN CA C 53.48 . 1 696 . 65 ASN CB C 36.87 . 1 697 . 65 ASN N N 124.60 . 1 698 . 65 ASN ND2 N 118.13 . 1 699 . 66 ASP H H 7.64 . 1 700 . 66 ASP HA H 4.91 . 1 701 . 66 ASP HB2 H 2.64 . 2 702 . 66 ASP HB3 H 2.20 . 2 703 . 66 ASP C C 174.29 . 1 704 . 66 ASP CA C 52.44 . 1 705 . 66 ASP CB C 43.80 . 1 706 . 66 ASP N N 119.77 . 1 707 . 67 ILE H H 7.86 . 1 708 . 67 ILE HA H 4.28 . 1 709 . 67 ILE HB H 2.46 . 1 710 . 67 ILE HG12 H 1.48 . 2 711 . 67 ILE HG13 H 1.25 . 2 712 . 67 ILE HG2 H 1.00 . 1 713 . 67 ILE HD1 H 0.99 . 1 714 . 67 ILE C C 175.46 . 1 715 . 67 ILE CA C 61.23 . 1 716 . 67 ILE CB C 38.15 . 1 717 . 67 ILE CG1 C 25.68 . 1 718 . 67 ILE CG2 C 18.79 . 1 719 . 67 ILE CD1 C 14.90 . 1 720 . 67 ILE N N 114.41 . 1 721 . 68 ASN H H 8.37 . 1 722 . 68 ASN HA H 5.85 . 1 723 . 68 ASN HB2 H 2.82 . 2 724 . 68 ASN HB3 H 2.73 . 2 725 . 68 ASN HD21 H 6.80 . 2 726 . 68 ASN HD22 H 7.88 . 2 727 . 68 ASN CA C 51.28 . 1 728 . 68 ASN CB C 40.66 . 1 729 . 68 ASN N N 119.49 . 1 730 . 68 ASN ND2 N 117.20 . 1 731 . 69 PRO HA H 3.52 . 1 732 . 69 PRO HB2 H 1.13 . 2 733 . 69 PRO HB3 H -0.03 . 2 734 . 69 PRO HG2 H 1.35 . 1 735 . 69 PRO HG3 H 1.35 . 1 736 . 69 PRO HD2 H 3.22 . 2 737 . 69 PRO HD3 H 3.04 . 2 738 . 69 PRO C C 174.84 . 1 739 . 69 PRO CA C 62.38 . 1 740 . 69 PRO CB C 33.06 . 1 741 . 69 PRO CG C 29.78 . 1 742 . 69 PRO CD C 49.82 . 1 743 . 70 VAL H H 6.93 . 1 744 . 70 VAL HA H 4.12 . 1 745 . 70 VAL HB H 1.89 . 1 746 . 70 VAL HG1 H 0.93 . 2 747 . 70 VAL HG2 H 0.88 . 2 748 . 70 VAL C C 175.17 . 1 749 . 70 VAL CA C 61.46 . 1 750 . 70 VAL CB C 33.17 . 1 751 . 70 VAL CG1 C 21.28 . 2 752 . 70 VAL CG2 C 20.45 . 2 753 . 70 VAL N N 119.25 . 1 754 . 71 TRP H H 8.16 . 1 755 . 71 TRP HA H 4.96 . 1 756 . 71 TRP HB2 H 3.40 . 1 757 . 71 TRP HB3 H 3.40 . 1 758 . 71 TRP HD1 H 7.58 . 1 759 . 71 TRP HE1 H 9.59 . 1 760 . 71 TRP HE3 H 7.28 . 1 761 . 71 TRP HZ2 H 7.05 . 1 762 . 71 TRP HZ3 H 6.68 . 1 763 . 71 TRP HH2 H 6.62 . 1 764 . 71 TRP C C 176.47 . 1 765 . 71 TRP CA C 62.16 . 1 766 . 71 TRP CB C 29.23 . 1 767 . 71 TRP CD1 C 128.63 . 1 768 . 71 TRP CE3 C 120.27 . 1 769 . 71 TRP CZ2 C 112.89 . 1 770 . 71 TRP CZ3 C 121.13 . 1 771 . 71 TRP CH2 C 124.13 . 1 772 . 71 TRP N N 124.19 . 1 773 . 71 TRP NE1 N 129.38 . 1 774 . 72 ASN H H 9.12 . 1 775 . 72 ASN HA H 4.50 . 1 776 . 72 ASN HB2 H 3.15 . 2 777 . 72 ASN HB3 H 2.88 . 2 778 . 72 ASN HD21 H 6.46 . 2 779 . 72 ASN HD22 H 7.52 . 2 780 . 72 ASN C C 174.63 . 1 781 . 72 ASN CA C 54.39 . 1 782 . 72 ASN CB C 37.80 . 1 783 . 72 ASN N N 119.41 . 1 784 . 72 ASN ND2 N 110.64 . 1 785 . 73 GLU H H 7.89 . 1 786 . 73 GLU HA H 4.76 . 1 787 . 73 GLU HB2 H 2.07 . 2 788 . 73 GLU HB3 H 1.72 . 2 789 . 73 GLU HG2 H 2.48 . 2 790 . 73 GLU HG3 H 2.27 . 2 791 . 73 GLU C C 174.01 . 1 792 . 73 GLU CA C 56.43 . 1 793 . 73 GLU CB C 34.85 . 1 794 . 73 GLU CG C 38.48 . 1 795 . 73 GLU N N 118.17 . 1 796 . 74 THR H H 8.26 . 1 797 . 74 THR HA H 4.81 . 1 798 . 74 THR HB H 3.78 . 1 799 . 74 THR HG2 H 1.05 . 1 800 . 74 THR C C 172.87 . 1 801 . 74 THR CA C 62.62 . 1 802 . 74 THR CB C 70.06 . 1 803 . 74 THR CG2 C 21.67 . 1 804 . 74 THR N N 119.72 . 1 805 . 75 PHE H H 9.35 . 1 806 . 75 PHE HA H 4.65 . 1 807 . 75 PHE HB2 H 2.71 . 2 808 . 75 PHE HB3 H 2.68 . 2 809 . 75 PHE HD1 H 7.17 . 1 810 . 75 PHE HD2 H 7.17 . 1 811 . 75 PHE C C 172.80 . 1 812 . 75 PHE CA C 56.82 . 1 813 . 75 PHE CB C 43.18 . 1 814 . 75 PHE N N 125.97 . 1 815 . 76 GLU H H 8.29 . 1 816 . 76 GLU HA H 5.15 . 1 817 . 76 GLU HB2 H 1.89 . 1 818 . 76 GLU HB3 H 1.89 . 1 819 . 76 GLU HG2 H 2.14 . 1 820 . 76 GLU HG3 H 2.14 . 1 821 . 76 GLU C C 174.77 . 1 822 . 76 GLU CA C 55.01 . 1 823 . 76 GLU CB C 33.42 . 1 824 . 76 GLU CG C 36.82 . 1 825 . 76 GLU N N 120.62 . 1 826 . 77 PHE H H 9.51 . 1 827 . 77 PHE HA H 5.07 . 1 828 . 77 PHE HB2 H 3.23 . 2 829 . 77 PHE HB3 H 3.14 . 2 830 . 77 PHE HD1 H 7.37 . 1 831 . 77 PHE HD2 H 7.37 . 1 832 . 77 PHE C C 174.40 . 1 833 . 77 PHE CA C 56.24 . 1 834 . 77 PHE CB C 42.82 . 1 835 . 77 PHE N N 122.03 . 1 836 . 78 ILE H H 8.85 . 1 837 . 78 ILE HA H 5.20 . 1 838 . 78 ILE HB H 2.09 . 1 839 . 78 ILE HG12 H 1.59 . 2 840 . 78 ILE HG13 H 1.44 . 2 841 . 78 ILE HG2 H 1.02 . 1 842 . 78 ILE HD1 H 0.92 . 1 843 . 78 ILE C C 175.72 . 1 844 . 78 ILE CA C 59.6 . 1 845 . 78 ILE CB C 37.52 . 1 846 . 78 ILE CG1 C 26.90 . 1 847 . 78 ILE CG2 C 18.04 . 1 848 . 78 ILE CD1 C 11.61 . 1 849 . 78 ILE N N 123.59 . 1 850 . 79 LEU H H 9.43 . 1 851 . 79 LEU HA H 5.00 . 1 852 . 79 LEU HB2 H 1.69 . 2 853 . 79 LEU HB3 H 1.41 . 2 854 . 79 LEU HG H 1.80 . 1 855 . 79 LEU HD1 H 0.72 . 2 856 . 79 LEU HD2 H 0.85 . 2 857 . 79 LEU C C 175.70 . 1 858 . 79 LEU CA C 53.22 . 1 859 . 79 LEU CB C 45.16 . 1 860 . 79 LEU CG C 26.76 . 1 861 . 79 LEU CD1 C 27.18 . 2 862 . 79 LEU CD2 C 23.75 . 2 863 . 79 LEU N N 125.20 . 1 864 . 80 ASP H H 9.33 . 1 865 . 80 ASP HA H 5.25 . 1 866 . 80 ASP HB2 H 3.06 . 2 867 . 80 ASP HB3 H 2.38 . 2 868 . 80 ASP CA C 50.13 . 1 869 . 80 ASP CB C 41.95 . 1 870 . 80 ASP N N 122.90 . 1 871 . 81 PRO HA H 4.16 . 1 872 . 81 PRO HB2 H 1.80 . 2 873 . 81 PRO HB3 H 1.25 . 2 874 . 81 PRO HG2 H 1.54 . 2 875 . 81 PRO HG3 H 1.25 . 2 876 . 81 PRO HD2 H 4.15 . 2 877 . 81 PRO HD3 H 3.86 . 2 878 . 81 PRO C C 176.63 . 1 879 . 81 PRO CA C 63.70 . 1 880 . 81 PRO CB C 31.89 . 1 881 . 81 PRO CG C 26.59 . 1 882 . 81 PRO CD C 51.44 . 1 883 . 82 ASN H H 8.58 . 1 884 . 82 ASN HA H 4.73 . 1 885 . 82 ASN HB2 H 2.90 . 1 886 . 82 ASN HB3 H 2.90 . 1 887 . 82 ASN HD21 H 7.03 . 2 888 . 82 ASN HD22 H 8.03 . 2 889 . 82 ASN C C 175.28 . 1 890 . 82 ASN CA C 53.91 . 1 891 . 82 ASN CB C 38.87 . 1 892 . 82 ASN N N 116.66 . 1 893 . 82 ASN ND2 N 115.38 . 1 894 . 83 GLN H H 7.47 . 1 895 . 83 GLN HA H 4.55 . 1 896 . 83 GLN HB2 H 2.13 . 2 897 . 83 GLN HB3 H 2.03 . 2 898 . 83 GLN HG2 H 2.45 . 2 899 . 83 GLN HG3 H 2.29 . 2 900 . 83 GLN HE21 H 6.87 . 2 901 . 83 GLN HE22 H 7.86 . 2 902 . 83 GLN C C 174.49 . 1 903 . 83 GLN CA C 54.16 . 1 904 . 83 GLN CB C 30.65 . 1 905 . 83 GLN CG C 33.85 . 1 906 . 83 GLN N N 117.73 . 1 907 . 83 GLN NE2 N 112.45 . 1 908 . 84 GLU H H 8.59 . 1 909 . 84 GLU HA H 4.37 . 1 910 . 84 GLU HB2 H 2.05 . 2 911 . 84 GLU HB3 H 1.90 . 2 912 . 84 GLU HG2 H 2.20 . 2 913 . 84 GLU HG3 H 2.13 . 2 914 . 84 GLU C C 174.70 . 1 915 . 84 GLU CA C 55.33 . 1 916 . 84 GLU CB C 28.23 . 1 917 . 84 GLU CG C 36.10 . 1 918 . 84 GLU N N 121.48 . 1 919 . 85 ASN H H 7.74 . 1 920 . 85 ASN HA H 4.67 . 1 921 . 85 ASN HB2 H 2.65 . 2 922 . 85 ASN HB3 H 1.95 . 2 923 . 85 ASN HD21 H 7.35 . 2 924 . 85 ASN HD22 H 8.57 . 2 925 . 85 ASN C C 173.56 . 1 926 . 85 ASN CA C 53.63 . 1 927 . 85 ASN CB C 40.16 . 1 928 . 85 ASN N N 122.19 . 1 929 . 85 ASN ND2 N 123.10 . 1 930 . 86 VAL H H 9.29 . 1 931 . 86 VAL HA H 4.45 . 1 932 . 86 VAL HB H 2.13 . 1 933 . 86 VAL HG1 H 0.91 . 2 934 . 86 VAL HG2 H 0.95 . 2 935 . 86 VAL C C 174.20 . 1 936 . 86 VAL CA C 61.85 . 1 937 . 86 VAL CB C 34.36 . 1 938 . 86 VAL CG1 C 21.65 . 2 939 . 86 VAL CG2 C 21.55 . 2 940 . 86 VAL N N 128.72 . 1 941 . 87 LEU H H 9.29 . 1 942 . 87 LEU HA H 4.72 . 1 943 . 87 LEU HB2 H 2.39 . 2 944 . 87 LEU HB3 H 1.32 . 2 945 . 87 LEU HG H 1.48 . 1 946 . 87 LEU HD1 H 0.82 . 2 947 . 87 LEU HD2 H 1.01 . 2 948 . 87 LEU C C 174.10 . 1 949 . 87 LEU CA C 54.12 . 1 950 . 87 LEU CB C 43.59 . 1 951 . 87 LEU CG C 27.31 . 1 952 . 87 LEU CD1 C 23.37 . 2 953 . 87 LEU CD2 C 27.45 . 2 954 . 87 LEU N N 129.03 . 1 955 . 88 GLU H H 9.52 . 1 956 . 88 GLU HA H 4.87 . 1 957 . 88 GLU HB2 H 2.11 . 2 958 . 88 GLU HB3 H 1.98 . 2 959 . 88 GLU HG2 H 2.31 . 2 960 . 88 GLU HG3 H 2.14 . 2 961 . 88 GLU C C 175.38 . 1 962 . 88 GLU CA C 55.68 . 1 963 . 88 GLU CB C 30.62 . 1 964 . 88 GLU CG C 36.44 . 1 965 . 88 GLU N N 129.26 . 1 966 . 89 ILE H H 8.97 . 1 967 . 89 ILE HA H 4.60 . 1 968 . 89 ILE HB H 1.47 . 1 969 . 89 ILE HG12 H 1.26 . 2 970 . 89 ILE HG13 H 0.52 . 2 971 . 89 ILE HG2 H 0.63 . 1 972 . 89 ILE HD1 H 0.16 . 1 973 . 89 ILE C C 174.94 . 1 974 . 89 ILE CA C 60.55 . 1 975 . 89 ILE CB C 41.33 . 1 976 . 89 ILE CG1 C 27.58 . 1 977 . 89 ILE CG2 C 19.13 . 1 978 . 89 ILE CD1 C 15.95 . 1 979 . 89 ILE N N 126.64 . 1 980 . 90 THR H H 9.23 . 1 981 . 90 THR HA H 5.18 . 1 982 . 90 THR HB H 3.94 . 1 983 . 90 THR HG2 H 1.25 . 1 984 . 90 THR C C 172.73 . 1 985 . 90 THR CA C 61.11 . 1 986 . 90 THR CB C 70.54 . 1 987 . 90 THR CG2 C 23.79 . 1 988 . 90 THR N N 122.15 . 1 989 . 91 LEU H H 8.47 . 1 990 . 91 LEU HA H 4.50 . 1 991 . 91 LEU HB2 H 1.27 . 2 992 . 91 LEU HB3 H 0.44 . 2 993 . 91 LEU HG H 1.40 . 1 994 . 91 LEU HD1 H 0.70 . 2 995 . 91 LEU HD2 H 0.90 . 2 996 . 91 LEU C C 173.50 . 1 997 . 91 LEU CA C 53.63 . 1 998 . 91 LEU CB C 43.00 . 1 999 . 91 LEU CG C 27.19 . 1 1000 . 91 LEU CD1 C 27.35 . 2 1001 . 91 LEU CD2 C 22.50 . 2 1002 . 91 LEU N N 128.92 . 1 1003 . 92 MET H H 8.82 . 1 1004 . 92 MET HA H 5.15 . 1 1005 . 92 MET HB2 H 1.10 . 2 1006 . 92 MET HB3 H -0.10 . 2 1007 . 92 MET HG2 H 2.15 . 2 1008 . 92 MET HG3 H 1.86 . 2 1009 . 92 MET HE H 1.82 . 1 1010 . 92 MET C C 174.38 . 1 1011 . 92 MET CA C 52.27 . 1 1012 . 92 MET CB C 33.09 . 1 1013 . 92 MET CG C 31.00 . 1 1014 . 92 MET CE C 15.77 . 1 1015 . 92 MET N N 126.70 . 1 1016 . 93 ASP H H 8.97 . 1 1017 . 93 ASP HA H 4.89 . 1 1018 . 93 ASP HB2 H 2.65 . 2 1019 . 93 ASP HB3 H 2.37 . 2 1020 . 93 ASP C C 174.60 . 1 1021 . 93 ASP CA C 52.18 . 1 1022 . 93 ASP CB C 44.83 . 1 1023 . 93 ASP N N 117.13 . 1 1024 . 94 ALA H H 9.32 . 1 1025 . 94 ALA HA H 4.48 . 1 1026 . 94 ALA HB H 1.08 . 1 1027 . 94 ALA C C 178.34 . 1 1028 . 94 ALA CA C 52.3 . 1 1029 . 94 ALA CB C 18.00 . 1 1030 . 94 ALA N N 128.57 . 1 1031 . 95 ASN H H 9.34 . 1 1032 . 95 ASN HA H 5.25 . 1 1033 . 95 ASN HB2 H 3.02 . 2 1034 . 95 ASN HB3 H 2.69 . 2 1035 . 95 ASN HD21 H 8.06 . 1 1036 . 95 ASN HD22 H 8.06 . 1 1037 . 95 ASN CA C 51.95 . 1 1038 . 95 ASN CB C 43.37 . 1 1039 . 95 ASN N N 126.16 . 1 1040 . 95 ASN ND2 N 120.86 . 1 1041 . 96 TYR HA H 4.46 . 1 1042 . 96 TYR HB2 H 3.22 . 2 1043 . 96 TYR HB3 H 3.14 . 2 1044 . 96 TYR HD1 H 7.29 . 1 1045 . 96 TYR HD2 H 7.29 . 1 1046 . 96 TYR CA C 60.78 . 1 1047 . 96 TYR CB C 38.16 . 1 1048 . 97 VAL H H 7.93 . 1 1049 . 97 VAL HA H 4.06 . 1 1050 . 97 VAL HB H 2.15 . 1 1051 . 97 VAL HG1 H 0.99 . 1 1052 . 97 VAL HG2 H 0.99 . 1 1053 . 97 VAL CA C 63.94 . 1 1054 . 97 VAL CB C 32.05 . 1 1055 . 97 VAL CG1 C 21.38 . 1 1056 . 97 VAL CG2 C 21.38 . 1 1057 . 97 VAL N N 115.55 . 1 1058 . 98 MET H H 7.98 . 1 1059 . 98 MET HA H 4.61 . 1 1060 . 98 MET HB2 H 2.17 . 2 1061 . 98 MET HB3 H 2.16 . 2 1062 . 98 MET HG2 H 2.65 . 1 1063 . 98 MET HG3 H 2.65 . 1 1064 . 98 MET C C 174.77 . 1 1065 . 98 MET CA C 55.15 . 1 1066 . 98 MET CB C 33.50 . 1 1067 . 98 MET CG C 31.61 . 1 1068 . 98 MET N N 118.63 . 1 1069 . 99 ASP H H 8.91 . 1 1070 . 99 ASP HA H 4.79 . 1 1071 . 99 ASP HB2 H 2.73 . 2 1072 . 99 ASP HB3 H 2.63 . 2 1073 . 99 ASP C C 175.33 . 1 1074 . 99 ASP CA C 55.65 . 1 1075 . 99 ASP CB C 40.92 . 1 1076 . 99 ASP N N 130.76 . 1 1077 . 100 GLU H H 8.70 . 1 1078 . 100 GLU HA H 4.72 . 1 1079 . 100 GLU HB2 H 2.07 . 2 1080 . 100 GLU HB3 H 2.01 . 2 1081 . 100 GLU HG2 H 2.30 . 2 1082 . 100 GLU HG3 H 2.21 . 2 1083 . 100 GLU C C 175.14 . 1 1084 . 100 GLU CA C 54.74 . 1 1085 . 100 GLU CB C 34.40 . 1 1086 . 100 GLU CG C 37.16 . 1 1087 . 100 GLU N N 121.09 . 1 1088 . 101 THR H H 8.81 . 1 1089 . 101 THR HA H 4.89 . 1 1090 . 101 THR HB H 4.12 . 1 1091 . 101 THR HG2 H 1.18 . 1 1092 . 101 THR C C 174.78 . 1 1093 . 101 THR CA C 62.93 . 1 1094 . 101 THR CB C 69.05 . 1 1095 . 101 THR CG2 C 21.73 . 1 1096 . 101 THR N N 122.05 . 1 1097 . 102 LEU H H 9.48 . 1 1098 . 102 LEU HA H 4.66 . 1 1099 . 102 LEU HB2 H 1.45 . 1 1100 . 102 LEU HB3 H 1.45 . 1 1101 . 102 LEU HG H 1.63 . 1 1102 . 102 LEU HD1 H 0.68 . 2 1103 . 102 LEU HD2 H 0.82 . 2 1104 . 102 LEU C C 177.42 . 1 1105 . 102 LEU CA C 55.28 . 1 1106 . 102 LEU CB C 41.32 . 1 1107 . 102 LEU CG C 27.24 . 1 1108 . 102 LEU CD1 C 24.84 . 2 1109 . 102 LEU CD2 C 23.41 . 2 1110 . 102 LEU N N 127.82 . 1 1111 . 103 GLY H H 7.57 . 1 1112 . 103 GLY HA2 H 4.38 . 2 1113 . 103 GLY HA3 H 3.98 . 2 1114 . 103 GLY C C 176.50 . 1 1115 . 103 GLY CA C 45.94 . 1 1116 . 103 GLY N N 105.23 . 1 1117 . 104 THR H H 8.56 . 1 1118 . 104 THR HA H 5.71 . 1 1119 . 104 THR HB H 4.17 . 1 1120 . 104 THR HG2 H 1.28 . 1 1121 . 104 THR C C 172.86 . 1 1122 . 104 THR CA C 60.77 . 1 1123 . 104 THR CB C 72.28 . 1 1124 . 104 THR CG2 C 21.58 . 1 1125 . 104 THR N N 114.31 . 1 1126 . 105 ALA H H 9.51 . 1 1127 . 105 ALA HA H 4.94 . 1 1128 . 105 ALA HB H 1.36 . 1 1129 . 105 ALA C C 175.51 . 1 1130 . 105 ALA CA C 51.14 . 1 1131 . 105 ALA CB C 23.60 . 1 1132 . 105 ALA N N 127.31 . 1 1133 . 106 THR H H 8.32 . 1 1134 . 106 THR HA H 5.67 . 1 1135 . 106 THR HB H 4.09 . 1 1136 . 106 THR HG2 H 1.23 . 1 1137 . 106 THR C C 173.74 . 1 1138 . 106 THR CA C 59.71 . 1 1139 . 106 THR CB C 72.45 . 1 1140 . 106 THR CG2 C 21.94 . 1 1141 . 106 THR N N 109.01 . 1 1142 . 107 PHE H H 9.14 . 1 1143 . 107 PHE HA H 4.98 . 1 1144 . 107 PHE HB2 H 3.28 . 2 1145 . 107 PHE HB3 H 3.06 . 2 1146 . 107 PHE HD1 H 7.35 . 1 1147 . 107 PHE HD2 H 7.35 . 1 1148 . 107 PHE HE1 H 6.92 . 1 1149 . 107 PHE HE2 H 6.92 . 1 1150 . 107 PHE CA C 57.55 . 1 1151 . 107 PHE CB C 43.88 . 1 1152 . 107 PHE CD1 C 130.49 . 1 1153 . 107 PHE CD2 C 130.49 . 1 1154 . 107 PHE CE1 C 128.56 . 1 1155 . 107 PHE CE2 C 128.56 . 1 1156 . 107 PHE N N 121.08 . 1 1157 . 108 THR H H 8.65 . 1 1158 . 108 THR HA H 4.24 . 1 1159 . 108 THR HB H 4.01 . 1 1160 . 108 THR HG2 H 1.20 . 1 1161 . 108 THR C C 174.20 . 1 1162 . 108 THR CA C 62.56 . 1 1163 . 108 THR CB C 68.39 . 1 1164 . 108 THR CG2 C 22.19 . 1 1165 . 108 THR N N 126.07 . 1 1166 . 109 VAL H H 7.94 . 1 1167 . 109 VAL HA H 3.28 . 1 1168 . 109 VAL HB H 1.82 . 1 1169 . 109 VAL HG1 H 0.37 . 2 1170 . 109 VAL HG2 H 0.45 . 2 1171 . 109 VAL C C 175.95 . 1 1172 . 109 VAL CA C 66.83 . 1 1173 . 109 VAL CB C 30.50 . 1 1174 . 109 VAL CG1 C 22.40 . 2 1175 . 109 VAL CG2 C 21.23 . 2 1176 . 109 VAL N N 131.61 . 1 1177 . 110 SER H H 8.33 . 1 1178 . 110 SER HA H 4.50 . 1 1179 . 110 SER HB2 H 4.11 . 2 1180 . 110 SER HB3 H 4.03 . 2 1181 . 110 SER C C 174.31 . 1 1182 . 110 SER CA C 59.90 . 1 1183 . 110 SER CB C 62.54 . 1 1184 . 110 SER N N 111.80 . 1 1185 . 111 SER H H 7.65 . 1 1186 . 111 SER HA H 4.36 . 1 1187 . 111 SER HB2 H 3.96 . 2 1188 . 111 SER HB3 H 3.84 . 2 1189 . 111 SER C C 174.47 . 1 1190 . 111 SER CA C 60.20 . 1 1191 . 111 SER CB C 63.73 . 1 1192 . 111 SER N N 116.53 . 1 1193 . 112 MET H H 8.29 . 1 1194 . 112 MET HA H 4.82 . 1 1195 . 112 MET HB2 H 2.47 . 2 1196 . 112 MET HB3 H 2.24 . 2 1197 . 112 MET HG2 H 2.85 . 1 1198 . 112 MET HG3 H 2.85 . 1 1199 . 112 MET HE H 2.20 . 1 1200 . 112 MET C C 174.17 . 1 1201 . 112 MET CA C 54.95 . 1 1202 . 112 MET CB C 35.58 . 1 1203 . 112 MET CG C 32.58 . 1 1204 . 112 MET CE C 17.18 . 1 1205 . 112 MET N N 122.67 . 1 1206 . 113 LYS H H 8.62 . 1 1207 . 113 LYS HA H 4.63 . 1 1208 . 113 LYS HB2 H 1.93 . 2 1209 . 113 LYS HB3 H 1.72 . 2 1210 . 113 LYS HG2 H 1.58 . 1 1211 . 113 LYS HG3 H 1.58 . 1 1212 . 113 LYS HD2 H 1.80 . 1 1213 . 113 LYS HD3 H 1.80 . 1 1214 . 113 LYS HE2 H 3.10 . 1 1215 . 113 LYS HE3 H 3.10 . 1 1216 . 113 LYS C C 176.53 . 1 1217 . 113 LYS CA C 54.13 . 1 1218 . 113 LYS CB C 34.20 . 1 1219 . 113 LYS CG C 25.10 . 1 1220 . 113 LYS CD C 29.00 . 1 1221 . 113 LYS CE C 42.13 . 1 1222 . 113 LYS N N 120.05 . 1 1223 . 114 VAL H H 8.35 . 1 1224 . 114 VAL HA H 3.51 . 1 1225 . 114 VAL HB H 2.02 . 1 1226 . 114 VAL HG1 H 0.96 . 1 1227 . 114 VAL HG2 H 0.96 . 1 1228 . 114 VAL C C 177.42 . 1 1229 . 114 VAL CA C 65.22 . 1 1230 . 114 VAL CB C 31.48 . 1 1231 . 114 VAL CG1 C 22.32 . 1 1232 . 114 VAL CG2 C 22.32 . 1 1233 . 114 VAL N N 120.63 . 1 1234 . 115 GLY H H 9.16 . 1 1235 . 115 GLY HA2 H 4.53 . 2 1236 . 115 GLY HA3 H 3.98 . 2 1237 . 115 GLY C C 174.28 . 1 1238 . 115 GLY CA C 45.02 . 1 1239 . 115 GLY N N 116.85 . 1 1240 . 116 GLU H H 8.17 . 1 1241 . 116 GLU HA H 4.58 . 1 1242 . 116 GLU HB2 H 2.35 . 2 1243 . 116 GLU HB3 H 2.22 . 2 1244 . 116 GLU HG2 H 2.47 . 2 1245 . 116 GLU HG3 H 2.30 . 2 1246 . 116 GLU C C 174.61 . 1 1247 . 116 GLU CA C 56.58 . 1 1248 . 116 GLU CB C 32.80 . 1 1249 . 116 GLU CG C 37.73 . 1 1250 . 116 GLU N N 121.78 . 1 1251 . 117 LYS H H 8.07 . 1 1252 . 117 LYS HA H 5.47 . 1 1253 . 117 LYS HB2 H 1.81 . 1 1254 . 117 LYS HB3 H 1.81 . 1 1255 . 117 LYS HG2 H 1.42 . 2 1256 . 117 LYS HG3 H 1.31 . 2 1257 . 117 LYS HD2 H 1.72 . 1 1258 . 117 LYS HD3 H 1.72 . 1 1259 . 117 LYS HE2 H 2.98 . 1 1260 . 117 LYS HE3 H 2.98 . 1 1261 . 117 LYS C C 175.68 . 1 1262 . 117 LYS CA C 55.37 . 1 1263 . 117 LYS CB C 34.91 . 1 1264 . 117 LYS CG C 24.52 . 1 1265 . 117 LYS CD C 29.39 . 1 1266 . 117 LYS CE C 41.85 . 1 1267 . 117 LYS N N 121.39 . 1 1268 . 118 LYS H H 9.27 . 1 1269 . 118 LYS HA H 4.93 . 1 1270 . 118 LYS HB2 H 2.0 . 2 1271 . 118 LYS HB3 H 1.80 . 2 1272 . 118 LYS HG2 H 1.45 . 1 1273 . 118 LYS HG3 H 1.45 . 1 1274 . 118 LYS HD2 H 1.86 . 1 1275 . 118 LYS HD3 H 1.86 . 1 1276 . 118 LYS HE2 H 3.11 . 1 1277 . 118 LYS HE3 H 3.11 . 1 1278 . 118 LYS C C 174.06 . 1 1279 . 118 LYS CA C 55.32 . 1 1280 . 118 LYS CB C 36.59 . 1 1281 . 118 LYS CG C 23.95 . 1 1282 . 118 LYS CD C 29.76 . 1 1283 . 118 LYS CE C 42.11 . 1 1284 . 118 LYS N N 123.81 . 1 1285 . 119 GLU H H 8.65 . 1 1286 . 119 GLU HA H 5.14 . 1 1287 . 119 GLU HB2 H 2.02 . 2 1288 . 119 GLU HB3 H 1.94 . 2 1289 . 119 GLU HG2 H 2.36 . 2 1290 . 119 GLU HG3 H 2.03 . 2 1291 . 119 GLU C C 176.26 . 1 1292 . 119 GLU CA C 55.79 . 1 1293 . 119 GLU CB C 31.10 . 1 1294 . 119 GLU CG C 37.35 . 1 1295 . 119 GLU N N 123.60 . 1 1296 . 120 VAL H H 9.40 . 1 1297 . 120 VAL HA H 4.61 . 1 1298 . 120 VAL HB H 1.88 . 1 1299 . 120 VAL HG1 H 0.58 . 2 1300 . 120 VAL HG2 H 0.84 . 2 1301 . 120 VAL CA C 59.32 . 1 1302 . 120 VAL CB C 35.72 . 1 1303 . 120 VAL CG1 C 21.80 . 2 1304 . 120 VAL CG2 C 21.40 . 2 1305 . 120 VAL N N 126.78 . 1 1306 . 121 PRO HA H 5.64 . 1 1307 . 121 PRO HB2 H 2.20 . 2 1308 . 121 PRO HB3 H 1.91 . 2 1309 . 121 PRO HG2 H 2.08 . 1 1310 . 121 PRO HG3 H 2.08 . 1 1311 . 121 PRO HD2 H 3.82 . 1 1312 . 121 PRO HD3 H 3.82 . 1 1313 . 121 PRO C C 176.30 . 1 1314 . 121 PRO CA C 60.53 . 1 1315 . 121 PRO CB C 32.54 . 1 1316 . 121 PRO CG C 26.96 . 1 1317 . 121 PRO CD C 51.07 . 1 1318 . 122 PHE H H 9.44 . 1 1319 . 122 PHE HA H 4.60 . 1 1320 . 122 PHE HB2 H 2.73 . 2 1321 . 122 PHE HB3 H 2.65 . 2 1322 . 122 PHE HD1 H 7.17 . 1 1323 . 122 PHE HD2 H 7.17 . 1 1324 . 122 PHE HE1 H 7.29 . 1 1325 . 122 PHE HE2 H 7.29 . 1 1326 . 122 PHE C C 174.03 . 1 1327 . 122 PHE CA C 57.55 . 1 1328 . 122 PHE CB C 43.25 . 1 1329 . 122 PHE N N 119.84 . 1 1330 . 123 ILE H H 8.35 . 1 1331 . 123 ILE HA H 5.38 . 1 1332 . 123 ILE HB H 1.83 . 1 1333 . 123 ILE HG12 H 1.51 . 2 1334 . 123 ILE HG13 H 1.31 . 2 1335 . 123 ILE HG2 H 0.82 . 1 1336 . 123 ILE HD1 H 0.87 . 1 1337 . 123 ILE C C 176.25 . 1 1338 . 123 ILE CA C 58.10 . 1 1339 . 123 ILE CB C 38.72 . 1 1340 . 123 ILE CG1 C 27.53 . 1 1341 . 123 ILE CG2 C 17.27 . 1 1342 . 123 ILE CD1 C 11.72 . 1 1343 . 123 ILE N N 121.94 . 1 1344 . 124 PHE H H 9.46 . 1 1345 . 124 PHE HA H 5.05 . 1 1346 . 124 PHE HB2 H 3.19 . 2 1347 . 124 PHE HB3 H 2.81 . 2 1348 . 124 PHE HD1 H 7.21 . 1 1349 . 124 PHE HD2 H 7.21 . 1 1350 . 124 PHE CA C 55.74 . 1 1351 . 124 PHE CB C 42.10 . 1 1352 . 124 PHE N N 125.71 . 1 1353 . 125 ASN H H 9.70 . 1 1354 . 125 ASN HA H 4.60 . 1 1355 . 125 ASN HB2 H 3.15 . 2 1356 . 125 ASN HB3 H 3.01 . 2 1357 . 125 ASN HD21 H 7.45 . 2 1358 . 125 ASN HD22 H 8.31 . 2 1359 . 125 ASN C C 175.35 . 1 1360 . 125 ASN CA C 54.80 . 1 1361 . 125 ASN CB C 37.48 . 1 1362 . 125 ASN N N 119.61 . 1 1363 . 125 ASN ND2 N 116.61 . 1 1364 . 126 GLN H H 8.81 . 1 1365 . 126 GLN HA H 3.80 . 1 1366 . 126 GLN HB2 H 2.71 . 2 1367 . 126 GLN HB3 H 2.40 . 2 1368 . 126 GLN HG2 H 2.49 . 1 1369 . 126 GLN HG3 H 2.49 . 1 1370 . 126 GLN HE21 H 7.45 . 2 1371 . 126 GLN HE22 H 8.31 . 2 1372 . 126 GLN C C 176.64 . 1 1373 . 126 GLN CA C 60.40 . 1 1374 . 126 GLN CB C 28.78 . 1 1375 . 126 GLN CG C 34.93 . 1 1376 . 126 GLN N N 110.28 . 1 1377 . 126 GLN NE2 N 116.61 . 1 1378 . 127 VAL H H 8.37 . 1 1379 . 127 VAL HA H 4.59 . 1 1380 . 127 VAL HB H 2.33 . 1 1381 . 127 VAL HG1 H 1.18 . 1 1382 . 127 VAL HG2 H 1.18 . 1 1383 . 127 VAL C C 174.88 . 1 1384 . 127 VAL CA C 62.58 . 1 1385 . 127 VAL CB C 34.96 . 1 1386 . 127 VAL CG1 C 21.34 . 2 1387 . 127 VAL CG2 C 19.82 . 2 1388 . 127 VAL N N 114.46 . 1 1389 . 128 THR H H 8.29 . 1 1390 . 128 THR HA H 4.96 . 1 1391 . 128 THR HB H 4.67 . 1 1392 . 128 THR HG2 H 1.36 . 1 1393 . 128 THR C C 173.50 . 1 1394 . 128 THR CA C 62.34 . 1 1395 . 128 THR CB C 69.81 . 1 1396 . 128 THR CG2 C 22.59 . 1 1397 . 128 THR N N 120.79 . 1 1398 . 129 GLU H H 8.31 . 1 1399 . 129 GLU HA H 5.48 . 1 1400 . 129 GLU HB2 H 2.20 . 2 1401 . 129 GLU HB3 H 1.99 . 2 1402 . 129 GLU HG2 H 2.19 . 2 1403 . 129 GLU HG3 H 2.06 . 2 1404 . 129 GLU C C 174.75 . 1 1405 . 129 GLU CA C 54.94 . 1 1406 . 129 GLU CB C 32.89 . 1 1407 . 129 GLU CG C 37.57 . 1 1408 . 129 GLU N N 127.54 . 1 1409 . 130 MET H H 9.77 . 1 1410 . 130 MET HA H 5.62 . 1 1411 . 130 MET HB2 H 2.49 . 2 1412 . 130 MET HB3 H 2.19 . 2 1413 . 130 MET HG2 H 2.79 . 2 1414 . 130 MET HG3 H 2.57 . 2 1415 . 130 MET HE H 1.78 . 1 1416 . 130 MET C C 174.01 . 1 1417 . 130 MET CA C 54.31 . 1 1418 . 130 MET CB C 38.70 . 1 1419 . 130 MET CG C 31.05 . 1 1420 . 130 MET CE C 18.53 . 1 1421 . 130 MET N N 128.42 . 1 1422 . 131 VAL H H 8.84 . 1 1423 . 131 VAL HA H 5.02 . 1 1424 . 131 VAL HB H 2.03 . 1 1425 . 131 VAL HG1 H 1.02 . 2 1426 . 131 VAL HG2 H 1.04 . 2 1427 . 131 VAL C C 173.93 . 1 1428 . 131 VAL CA C 62.4 . 1 1429 . 131 VAL CB C 34.35 . 1 1430 . 131 VAL CG1 C 22.50 . 2 1431 . 131 VAL CG2 C 21.20 . 2 1432 . 131 VAL N N 124.89 . 1 1433 . 132 LEU H H 8.38 . 1 1434 . 132 LEU HA H 5.54 . 1 1435 . 132 LEU HB2 H 1.83 . 2 1436 . 132 LEU HB3 H 1.74 . 2 1437 . 132 LEU HG H 1.95 . 1 1438 . 132 LEU HD1 H 0.95 . 2 1439 . 132 LEU HD2 H 0.98 . 2 1440 . 132 LEU C C 175.48 . 1 1441 . 132 LEU CA C 53.54 . 1 1442 . 132 LEU CB C 45.64 . 1 1443 . 132 LEU CG C 29.46 . 1 1444 . 132 LEU CD1 C 26.88 . 2 1445 . 132 LEU CD2 C 25.40 . 2 1446 . 132 LEU N N 127.00 . 1 1447 . 133 GLU H H 9.36 . 1 1448 . 133 GLU HA H 5.25 . 1 1449 . 133 GLU HB2 H 2.18 . 2 1450 . 133 GLU HB3 H 2.03 . 2 1451 . 133 GLU HG2 H 2.10 . 2 1452 . 133 GLU HG3 H 2.01 . 2 1453 . 133 GLU C C 175.30 . 1 1454 . 133 GLU CA C 55.31 . 1 1455 . 133 GLU CB C 32.20 . 1 1456 . 133 GLU CG C 37.39 . 1 1457 . 133 GLU N N 121.72 . 1 1458 . 134 MET H H 9.24 . 1 1459 . 134 MET HA H 5.50 . 1 1460 . 134 MET HB2 H 2.22 . 2 1461 . 134 MET HB3 H 2.07 . 2 1462 . 134 MET HG2 H 2.48 . 2 1463 . 134 MET HG3 H 2.23 . 2 1464 . 134 MET HE H 2.20 . 1 1465 . 134 MET C C 175.03 . 1 1466 . 134 MET CA C 54.17 . 1 1467 . 134 MET CB C 37.62 . 1 1468 . 134 MET CG C 34.29 . 1 1469 . 134 MET CE C 17.18 . 1 1470 . 134 MET N N 126.27 . 1 1471 . 135 SER H H 8.83 . 1 1472 . 135 SER HA H 5.61 . 1 1473 . 135 SER HB2 H 3.93 . 2 1474 . 135 SER HB3 H 3.89 . 2 1475 . 135 SER C C 172.24 . 1 1476 . 135 SER CA C 57.11 . 1 1477 . 135 SER CB C 66.11 . 1 1478 . 135 SER N N 114.74 . 1 1479 . 136 LEU H H 8.09 . 1 1480 . 136 LEU HA H 5.72 . 1 1481 . 136 LEU HB2 H 2.27 . 2 1482 . 136 LEU HB3 H 1.58 . 2 1483 . 136 LEU HG H 1.44 . 1 1484 . 136 LEU HD1 H 1.07 . 2 1485 . 136 LEU HD2 H 0.80 . 2 1486 . 136 LEU C C 175.08 . 1 1487 . 136 LEU CA C 53.93 . 1 1488 . 136 LEU CB C 46.10 . 1 1489 . 136 LEU CG C 28.15 . 1 1490 . 136 LEU CD1 C 24.05 . 2 1491 . 136 LEU CD2 C 26.01 . 2 1492 . 136 LEU N N 125.96 . 1 1493 . 137 GLU H H 9.21 . 1 1494 . 137 GLU HA H 4.95 . 1 1495 . 137 GLU HB2 H 2.37 . 2 1496 . 137 GLU HB3 H 2.03 . 2 1497 . 137 GLU HG2 H 2.03 . 2 1498 . 137 GLU HG3 H 1.84 . 2 1499 . 137 GLU C C 173.48 . 1 1500 . 137 GLU CA C 55.32 . 1 1501 . 137 GLU CB C 35.17 . 1 1502 . 137 GLU CG C 36.66 . 1 1503 . 137 GLU N N 126.92 . 1 1504 . 138 VAL H H 7.86 . 1 1505 . 138 VAL HA H 4.47 . 1 1506 . 138 VAL HB H 2.10 . 1 1507 . 138 VAL HG1 H 0.93 . 2 1508 . 138 VAL HG2 H 0.96 . 2 1509 . 138 VAL CA C 63.38 . 1 1510 . 138 VAL CB C 33.81 . 1 1511 . 138 VAL CG1 C 21.83 . 2 1512 . 138 VAL CG2 C 21.14 . 2 1513 . 138 VAL N N 121.56 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_one _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H 600 _Mol_system_component_name cPLA2-C2 _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 JHNHA 5 ASP H 5 ASP HA 7.01 . . . 2 JHNHA 7 TYR H 7 TYR HA 8.25 . . . 3 JHNHA 8 GLN H 8 GLN HA 7.70 . . . 4 JHNHA 10 ILE H 10 ILE HA 8.89 . . . 5 JHNHA 11 ILE H 11 ILE HA 8.60 . . . 6 JHNHA 12 VAL H 12 VAL HA 8.43 . . . 7 JHNHA 13 GLU H 13 GLU HA 6.58 . . . 8 JHNHA 17 SER H 17 SER HA 8.68 . . . 9 JHNHA 18 HIS H 18 HIS HA 8.68 . . . 10 JHNHA 19 LYS H 19 LYS HA 8.74 . . . 11 JHNHA 20 PHE H 20 PHE HA 10.1 . . . 12 JHNHA 21 THR H 21 THR HA 8.94 . . . 13 JHNHA 22 VAL H 22 VAL HA 8.87 . . . 14 JHNHA 23 VAL H 23 VAL HA 8.88 . . . 15 JHNHA 24 VAL H 24 VAL HA 8.68 . . . 16 JHNHA 25 LEU H 25 LEU HA 7.67 . . . 17 JHNHA 26 ARG H 26 ARG HA 7.29 . . . 18 JHNHA 27 ALA H 27 ALA HA 7.85 . . . 19 JHNHA 28 THR H 28 THR HA 10.6 . . . 20 JHNHA 29 LYS H 29 LYS HA 6.60 . . . 21 JHNHA 31 THR H 31 THR HA 8.41 . . . 22 JHNHA 34 ALA H 34 ALA HA 5.00 . . . 23 JHNHA 35 PHE H 35 PHE HA 6.80 . . . 24 JHNHA 37 ASP H 37 ASP HA 4.06 . . . 25 JHNHA 38 MET H 38 MET HA 5.31 . . . 26 JHNHA 39 LEU H 39 LEU HA 7.96 . . . 27 JHNHA 46 VAL H 46 VAL HA 10.8 . . . 28 JHNHA 47 GLU H 47 GLU HA 8.24 . . . 29 JHNHA 48 LEU H 48 LEU HA 8.96 . . . 30 JHNHA 49 PHE H 49 PHE HA 8.48 . . . 31 JHNHA 51 SER H 51 SER HA 5.00 . . . 32 JHNHA 52 THR H 52 THR HA 7.85 . . . 33 JHNHA 53 THR H 53 THR HA 8.72 . . . 34 JHNHA 55 ASP H 55 ASP HA 7.79 . . . 35 JHNHA 56 SER H 56 SER HA 7.94 . . . 36 JHNHA 57 ARG H 57 ARG HA 6.45 . . . 37 JHNHA 58 LYS H 58 LYS HA 8.52 . . . 38 JHNHA 59 ARG H 59 ARG HA 8.28 . . . 39 JHNHA 60 THR H 60 THR HA 7.06 . . . 40 JHNHA 62 HIS H 62 HIS HA 9.34 . . . 41 JHNHA 63 PHE H 63 PHE HA 8.81 . . . 42 JHNHA 64 ASN H 64 ASN HA 7.65 . . . 43 JHNHA 66 ASP H 66 ASP HA 8.85 . . . 44 JHNHA 67 ILE H 67 ILE HA 8.52 . . . 45 JHNHA 68 ASN H 68 ASN HA 10.9 . . . 46 JHNHA 71 TRP H 71 TRP HA 10.8 . . . 47 JHNHA 72 ASN H 72 ASN HA 8.77 . . . 48 JHNHA 73 GLU H 73 GLU HA 11.0 . . . 49 JHNHA 74 THR H 74 THR HA 11.9 . . . 50 JHNHA 75 PHE H 75 PHE HA 9.31 . . . 51 JHNHA 76 GLU H 76 GLU HA 8.91 . . . 52 JHNHA 77 PHE H 77 PHE HA 10.0 . . . 53 JHNHA 78 ILE H 78 ILE HA 10.0 . . . 54 JHNHA 80 ASP H 80 ASP HA 8.26 . . . 55 JHNHA 82 ASN H 82 ASN HA 8.88 . . . 56 JHNHA 83 GLN H 83 GLN HA 9.45 . . . 57 JHNHA 84 GLU H 84 GLU HA 9.03 . . . 58 JHNHA 86 VAL H 86 VAL HA 8.94 . . . 59 JHNHA 87 LEU H 87 LEU HA 7.84 . . . 60 JHNHA 88 GLU H 88 GLU HA 8.85 . . . 61 JHNHA 89 ILE H 89 ILE HA 9.17 . . . 62 JHNHA 90 THR H 90 THR HA 10.6 . . . 63 JHNHA 91 LEU H 91 LEU HA 9.58 . . . 64 JHNHA 92 MET H 92 MET HA 8.60 . . . 65 JHNHA 93 ASP H 93 ASP HA 10.2 . . . 66 JHNHA 94 ALA H 94 ALA HA 7.51 . . . 67 JHNHA 95 ASN H 95 ASN HA 7.10 . . . 68 JHNHA 99 ASP H 99 ASP HA 6.46 . . . 69 JHNHA 100 GLU H 100 GLU HA 10.6 . . . 70 JHNHA 101 THR H 101 THR HA 7.78 . . . 71 JHNHA 102 LEU H 102 LEU HA 9.64 . . . 72 JHNHA 104 THR H 104 THR HA 9.40 . . . 73 JHNHA 105 ALA H 105 ALA HA 8.62 . . . 74 JHNHA 106 THR H 106 THR HA 9.85 . . . 75 JHNHA 107 PHE H 107 PHE HA 11.0 . . . 76 JHNHA 109 VAL H 109 VAL HA 5.00 . . . 77 JHNHA 110 SER H 110 SER HA 4.95 . . . 78 JHNHA 111 SER H 111 SER HA 6.44 . . . 79 JHNHA 114 VAL H 114 VAL HA 5.82 . . . 80 JHNHA 116 GLU H 116 GLU HA 8.63 . . . 81 JHNHA 117 LYS H 117 LYS HA 8.70 . . . 82 JHNHA 118 LYS H 118 LYS HA 8.86 . . . 83 JHNHA 119 GLU H 119 GLU HA 8.54 . . . 84 JHNHA 120 VAL H 120 VAL HA 9.55 . . . 85 JHNHA 122 PHE H 122 PHE HA 9.77 . . . 86 JHNHA 123 ILE H 123 ILE HA 9.99 . . . 87 JHNHA 124 PHE H 124 PHE HA 9.66 . . . 88 JHNHA 126 GLN H 126 GLN HA 7.40 . . . 89 JHNHA 127 VAL H 127 VAL HA 10.7 . . . 90 JHNHA 128 THR H 128 THR HA 9.15 . . . 91 JHNHA 130 MET H 130 MET HA 9.40 . . . 92 JHNHA 131 VAL H 131 VAL HA 9.75 . . . 93 JHNHA 132 LEU H 132 LEU HA 10.1 . . . 94 JHNHA 133 GLU H 133 GLU HA 9.12 . . . 95 JHNHA 134 MET H 134 MET HA 8.93 . . . 96 JHNHA 135 SER H 135 SER HA 8.82 . . . 97 JHNHA 136 LEU H 136 LEU HA 9.96 . . . 98 JHNHA 137 GLU H 137 GLU HA 8.12 . . . 99 JHNHA 138 VAL H 138 VAL HA 10.8 . . . stop_ save_