data_6270 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for chPrP(25-242) ; _BMRB_accession_number 6270 _BMRB_flat_file_name bmr6270.str _Entry_type original _Submission_date 2004-07-22 _Accession_date 2004-07-22 _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 Lysek Dominikus A. . 2 Calzolai Luigi . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 454 "13C chemical shifts" 160 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-10-18 original author . stop_ _Original_release_date 2004-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letters to the Editor: NMR assignment of the chicken prion protein fragments chPrP(128-242) and chPrP(25-242) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15459548 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lysek Dominikus A. . 2 Calzolai Luigi . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 97 _Year 2004 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Harris DA, Falls DL, Johnson FA, Fischbach GD. Related Articles, Links Free in PMC A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity. Proc Natl Acad Sci U S A. 1991 Sep 1;88(17):7664-8. ; _Citation_title 'A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1715573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harris 'D A' A. . 2 Falls 'D L' L. . 3 Johnson 'F A' A. . 4 Fischbach 'G D' D. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 88 _Journal_issue 17 _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 7664 _Page_last 7668 _Year 1991 _Details ; The mammalian prion protein (PrPC) is a cellular protein of unknown function, an altered isoform of which (PrPSc) is a component of the infectious particle (prion) thought to be responsible for spongiform encephalopathies in humans and animals. We report here the isolation of a cDNA that encodes a chicken protein that is homologous to PrPC. This chicken prion-like protein (ch-PrLP) is identical to the mouse PrP at 33% of its amino acid positions, including an uninterrupted stretch of 24 identical residues, and it displays the same structural domains. In addition, ch-PrLP, like its mammalian counterpart, is attached to the cell surface by a glycosyl-phosphatidylinositol anchor. We find that ch-PrLP is the major protein in preparations of an acetylcholine receptor-inducing activity that has been purified greater than 10(6)-fold from brain on the basis of its ability to stimulate synthesis of nicotinic receptors by cultured myotubes. The ch-PrLP gene is expressed in the spinal cord and brain as early as embryonic day 6; and in the spinal cord, the protein appears to be concentrated in motor neurons. Our results therefore raise the possibility that prion proteins serve normally to regulate the chemoreceptor number at the neuromuscular junction and perhaps in the central nervous system as well. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; Riek R, Hornemann S, Wider G, Glockshuber R, Wuthrich K. Related Articles, Links Abstract NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231). FEBS Lett. 1997 Aug 18;413(2):282-8. ; _Citation_title 'NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9280298 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Riek R . . 2 Hornemann S . . 3 Wider G . . 4 Glockshuber R . . 5 Wuthrich K . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 413 _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 282 _Page_last 288 _Year 1997 _Details ; The recombinant murine prion protein, mPrP(23-231), was expressed in E. coli with uniform 15N-labeling. NMR experiments showed that the previously determined globular three-dimensional structure of the C-terminal domain mPrP(121-231) is preserved in the intact protein, and that the N-terminal polypeptide segment 23-120 is flexibly disordered. This structural information is based on nearly complete sequence-specific assignments for the backbone amide nitrogens, amide protons and alpha-protols of the polypeptide segment of residues 121-231 in mPrP(23-231). Coincidence of corresponding sequential and medium-range nuclear Overhauser effects (NOE) showed that the helical secondary structures previously identified in mPrP(121-231) are also present in mPrP(23-231), and near-identity of corresponding amide nitrogen and amide proton chemical shifts indicates that the three-dimensional fold of mPrP(121-231) is also preserved in the intact protein. The linewidths in heteronuclear 1H-15N correlation spectra and 15N[1H]-NOEs showed that the well structured residues 126-230 have correlation times of several nanoseconds, as is typical for small globular proteins, whereas correlation times shorter than 1 nanosecond were observed for all residues of mPrP(23-231) outside of this domain. ; save_ ################################## # Molecular system description # ################################## save_system_chPrP _Saveframe_category molecular_system _Mol_system_name 'chPrP (25-242)' _Abbreviation_common chPrP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chPrP (25-242)' $chPrP 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_chPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'chicken prion protein' _Abbreviation_common chPrP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSKKGKGKPSGGGWGAGSHR QPSYPRQPGYPHNPGYPHNP GYPHNPGYPHNPGYPQNPGY PHNPGYPGWGQGYNPSSGGS YHNQKPWKPPKTNFKHVAGA AAAGAVV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 GLY 2 24 SER 3 25 LYS 4 26 LYS 5 27 GLY 6 28 LYS 7 29 GLY 8 30 LYS 9 31 PRO 10 32 SER 11 33 GLY 12 34 GLY 13 35 GLY 14 36 TRP 15 37 GLY 16 38 ALA 17 39 GLY 18 40 SER 19 41 HIS 20 42 ARG 21 43 GLN 22 44 PRO 23 45 SER 24 46 TYR 25 47 PRO 26 48 ARG 27 49 GLN 28 50 PRO 29 51 GLY 30 52 TYR 31 53 PRO 32 54 HIS 33 55 ASN 34 56 PRO 35 57 GLY 36 58 TYR 37 59 PRO 38 60 HIS 39 61 ASN 40 62 PRO 41 63 GLY 42 64 TYR 43 65 PRO 44 66 HIS 45 67 ASN 46 68 PRO 47 69 GLY 48 70 TYR 49 71 PRO 50 72 HIS 51 73 ASN 52 74 PRO 53 75 GLY 54 76 TYR 55 77 PRO 56 78 GLN 57 79 ASN 58 80 PRO 59 81 GLY 60 82 TYR 61 83 PRO 62 84 HIS 63 85 ASN 64 86 PRO 65 87 GLY 66 88 TYR 67 89 PRO 68 90 GLY 69 91 TRP 70 92 GLY 71 93 GLN 72 94 GLY 73 95 TYR 74 96 ASN 75 97 PRO 76 98 SER 77 99 SER 78 100 GLY 79 101 GLY 80 102 SER 81 103 TYR 82 104 HIS 83 105 ASN 84 106 GLN 85 107 LYS 86 108 PRO 87 109 TRP 88 110 LYS 89 111 PRO 90 112 PRO 91 113 LYS 92 114 THR 93 115 ASN 94 116 PHE 95 117 LYS 96 118 HIS 97 119 VAL 98 120 ALA 99 121 GLY 100 122 ALA 101 123 ALA 102 124 ALA 103 125 ALA 104 126 GLY 105 127 ALA 106 128 VAL 107 129 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 GB AAA49041 "prion-like protein [Gallus gallus]" 99.07 267 100.00 100.00 3.08e-65 GB AAF73436 "prion protein [Columba rupestris]" 99.07 266 99.06 100.00 1.25e-64 GB AAF73437 "prion protein [Coturnix coturnix]" 99.07 266 100.00 100.00 2.54e-65 GB AAR21236 "prion protein [Pavo muticus]" 99.07 266 98.11 98.11 2.30e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $chPrP Chicken 9031 Eukaryota Metazoa Gallus gallus 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 $chPrP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $chPrP 1.0 mM '[U-30% 13C; U-30% 15N]' 'sodium acetate' 10 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13N_NOESY_aliphatic,_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13N NOESY aliphatic, aromatic' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13N NOESY aliphatic, aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 0.02 mM pH 4.3 0.1 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'chPrP (25-242)' _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 . 1 GLY CA C 42.9 0.05 1 2 . 1 GLY HA2 H 3.79 0.005 1 3 . 1 GLY HA3 H 3.79 0.005 1 4 . 2 SER N N 115.4 0.05 1 5 . 2 SER H H 8.59 0.005 1 6 . 2 SER CA C 57.8 0.05 1 7 . 2 SER HA H 4.41 0.005 1 8 . 3 LYS N N 123.5 0.05 1 9 . 3 LYS H H 8.45 0.005 1 10 . 3 LYS CA C 55.9 0.05 1 11 . 3 LYS HA H 4.25 0.005 1 12 . 3 LYS CB C 32.9 0.05 1 13 . 3 LYS HB2 H 1.75 0.005 2 14 . 3 LYS HB3 H 1.64 0.005 2 15 . 3 LYS CG C 24.5 0.05 1 16 . 3 LYS HG2 H 1.37 0.005 1 17 . 3 LYS HG3 H 1.37 0.005 1 18 . 3 LYS CD C 28.7 0.05 1 19 . 3 LYS HD2 H 1.57 0.005 1 20 . 3 LYS HD3 H 1.57 0.005 1 21 . 3 LYS CE C 41.7 0.05 1 22 . 3 LYS HE2 H 2.90 0.005 1 23 . 3 LYS HE3 H 2.90 0.005 1 24 . 4 LYS N N 122.8 0.05 1 25 . 4 LYS H H 8.35 0.005 1 26 . 4 LYS CA C 55.9 0.05 1 27 . 4 LYS HA H 4.25 0.005 1 28 . 4 LYS CB C 32.9 0.05 1 29 . 4 LYS HB2 H 1.74 0.005 2 30 . 4 LYS HB3 H 1.63 0.005 2 31 . 4 LYS CG C 24.5 0.05 1 32 . 4 LYS HG2 H 1.32 0.005 1 33 . 4 LYS HG3 H 1.32 0.005 1 34 . 4 LYS CD C 28.7 0.05 1 35 . 4 LYS HD2 H 1.56 0.005 1 36 . 4 LYS HD3 H 1.56 0.005 1 37 . 4 LYS CE C 41.7 0.05 1 38 . 4 LYS HE2 H 2.88 0.005 1 39 . 4 LYS HE3 H 2.88 0.005 1 40 . 5 GLY N N 110.5 0.05 1 41 . 5 GLY H H 8.33 0.005 1 42 . 5 GLY CA C 45.0 0.05 1 43 . 5 GLY HA2 H 3.83 0.005 1 44 . 5 GLY HA3 H 3.83 0.005 1 45 . 6 LYS N N 120.6 0.05 1 46 . 6 LYS H H 8.23 0.005 1 47 . 6 LYS CA C 56.4 0.05 1 48 . 6 LYS HA H 4.25 0.005 1 49 . 6 LYS CB C 32.9 0.05 1 50 . 6 LYS HB2 H 1.67 0.005 1 51 . 6 LYS HB3 H 1.67 0.005 1 52 . 6 LYS CG C 24.5 0.05 1 53 . 6 LYS HG2 H 1.34 0.005 1 54 . 6 LYS HG3 H 1.34 0.005 1 55 . 6 LYS CD C 28.7 0.05 1 56 . 6 LYS HD2 H 1.56 0.005 1 57 . 6 LYS HD3 H 1.56 0.005 1 58 . 6 LYS CE C 41.7 0.05 1 59 . 6 LYS HE2 H 2.55 0.005 1 60 . 6 LYS HE3 H 2.55 0.005 1 61 . 7 GLY N N 109.9 0.05 1 62 . 7 GLY H H 8.39 0.005 1 63 . 7 GLY CA C 45.0 0.05 1 64 . 7 GLY HA2 H 3.87 0.005 2 65 . 7 GLY HA3 H 3.84 0.005 2 66 . 8 LYS N N 121.9 0.05 1 67 . 8 LYS H H 8.31 0.005 1 68 . 8 LYS CA C 53.8 0.05 1 69 . 8 LYS HA H 4.50 0.005 1 70 . 8 LYS CB C 32.2 0.05 1 71 . 8 LYS HB2 H 1.69 0.005 2 72 . 8 LYS HB3 H 1.59 0.005 2 73 . 8 LYS CG C 24.3 0.05 1 74 . 8 LYS HG2 H 1.33 0.005 1 75 . 8 LYS HG3 H 1.33 0.005 1 76 . 8 LYS CD C 28.9 0.05 1 77 . 8 LYS HD2 H 1.56 0.005 1 78 . 8 LYS HD3 H 1.56 0.005 1 79 . 8 LYS CE C 41.9 0.05 1 80 . 8 LYS HE2 H 2.72 0.005 1 81 . 8 LYS HE3 H 2.72 0.005 1 82 . 9 PRO CD C 50.3 0.05 1 83 . 9 PRO CA C 62.7 0.05 1 84 . 9 PRO HA H 4.33 0.005 1 85 . 9 PRO CB C 31.5 0.05 1 86 . 9 PRO HB2 H 2.16 0.005 2 87 . 9 PRO HB3 H 1.77 0.005 2 88 . 9 PRO CG C 27.0 0.05 1 89 . 9 PRO HG2 H 1.88 0.005 1 90 . 9 PRO HG3 H 1.88 0.005 1 91 . 9 PRO HD2 H 3.71 0.005 2 92 . 9 PRO HD3 H 3.49 0.005 2 93 . 10 SER N N 116.4 0.05 1 94 . 10 SER H H 8.40 0.005 1 95 . 10 SER CA C 58.0 0.05 1 96 . 10 SER HA H 4.34 0.005 1 97 . 10 SER HB2 H 3.74 0.005 1 98 . 10 SER HB3 H 3.74 0.005 1 99 . 11 GLY N N 110.7 0.05 1 100 . 11 GLY H H 8.38 0.005 1 101 . 11 GLY CA C 45.0 0.05 1 102 . 11 GLY HA2 H 3.90 0.005 1 103 . 11 GLY HA3 H 3.90 0.005 1 104 . 12 GLY N N 108.3 0.05 1 105 . 12 GLY H H 8.14 0.005 1 106 . 12 GLY CA C 45.0 0.05 1 107 . 12 GLY HA2 H 3.84 0.005 1 108 . 12 GLY HA3 H 3.84 0.005 1 109 . 13 GLY N N 108.3 0.05 1 110 . 13 GLY H H 8.17 0.005 1 111 . 13 GLY CA C 45.0 0.05 1 112 . 13 GLY HA2 H 3.80 0.005 1 113 . 13 GLY HA3 H 3.80 0.005 1 114 . 14 TRP N N 120.6 0.05 1 115 . 14 TRP H H 8.02 0.005 1 116 . 14 TRP CA C 56.8 0.05 1 117 . 14 TRP HA H 4.54 0.005 1 118 . 14 TRP CB C 29.1 0.05 1 119 . 14 TRP HB2 H 3.20 0.005 2 120 . 14 TRP HB3 H 3.10 0.005 2 121 . 15 GLY N N 110.5 0.05 1 122 . 15 GLY H H 8.31 0.005 1 123 . 15 GLY CA C 45.0 0.05 1 124 . 15 GLY HA2 H 3.78 0.005 1 125 . 15 GLY HA3 H 3.78 0.005 1 126 . 16 ALA N N 123.7 0.05 1 127 . 16 ALA H H 8.14 0.005 1 128 . 16 ALA CA C 52.7 0.05 1 129 . 16 ALA HA H 4.17 0.005 1 130 . 16 ALA HB H 1.31 0.005 1 131 . 16 ALA CB C 18.9 0.05 1 132 . 17 GLY N N 107.9 0.05 1 133 . 17 GLY H H 8.34 0.005 1 134 . 17 GLY CA C 45.0 0.05 1 135 . 17 GLY HA2 H 3.85 0.005 1 136 . 17 GLY HA3 H 3.85 0.005 1 137 . 18 SER N N 115.1 0.05 1 138 . 18 SER H H 8.01 0.005 1 139 . 18 SER CA C 58.0 0.05 1 140 . 18 SER HA H 4.25 0.005 1 141 . 18 SER CB C 63.4 0.05 1 142 . 18 SER HB2 H 3.68 0.005 1 143 . 18 SER HB3 H 3.68 0.005 1 144 . 19 HIS N N 120.0 0.05 1 145 . 19 HIS H H 8.44 0.005 1 146 . 19 HIS CA C 54.5 0.05 1 147 . 19 HIS HA H 4.53 0.005 1 148 . 19 HIS CB C 28.7 0.05 1 149 . 19 HIS HB2 H 3.03 0.005 1 150 . 19 HIS HB3 H 3.03 0.005 1 151 . 19 HIS HD1 H 7.01 0.005 1 152 . 20 ARG N N 121.1 0.05 1 153 . 20 ARG H H 8.24 0.005 1 154 . 20 ARG CA C 35.7 0.05 1 155 . 20 ARG HA H 4.21 0.005 1 156 . 20 ARG CB C 30.3 0.05 1 157 . 20 ARG HB2 H 1.70 0.005 2 158 . 20 ARG HB3 H 1.64 0.005 2 159 . 20 ARG CG C 26.6 0.05 1 160 . 20 ARG HG2 H 1.53 0.005 1 161 . 20 ARG HG3 H 1.53 0.005 1 162 . 20 ARG CD C 43.1 0.05 1 163 . 20 ARG HD2 H 3.15 0.005 1 164 . 20 ARG HD3 H 3.15 0.005 1 165 . 21 GLN N N 123.0 0.05 1 166 . 21 GLN H H 8.41 0.005 1 167 . 21 GLN CA C 53.4 0.05 1 168 . 21 GLN HA H 4.50 0.005 1 169 . 21 GLN HB2 H 1.97 0.005 2 170 . 21 GLN HB3 H 1.82 0.005 2 171 . 22 PRO CA C 62.7 0.05 1 172 . 22 PRO HA H 4.25 0.005 1 173 . 22 PRO HB2 H 2.10 0.005 2 174 . 22 PRO HD2 H 3.61 0.005 2 175 . 23 SER N N 115.4 0.05 1 176 . 23 SER H H 8.14 0.005 1 177 . 23 SER CA C 57.3 0.05 1 178 . 23 SER HA H 4.28 0.005 1 179 . 23 SER CB C 63.4 0.05 1 180 . 23 SER HB2 H 3.63 0.005 1 181 . 23 SER HB3 H 3.63 0.005 1 182 . 24 TYR N N 122.6 0.05 1 183 . 24 TYR H H 8.10 0.005 1 184 . 24 TYR HA H 4.73 0.005 1 185 . 24 TYR CB C 38.0 0.05 1 186 . 24 TYR HB2 H 2.92 0.005 2 187 . 24 TYR HB3 H 2.73 0.005 2 188 . 25 PRO CD C 50.1 0.05 1 189 . 25 PRO CA C 62.9 0.05 1 190 . 25 PRO HA H 4.25 0.005 1 191 . 25 PRO CB C 31.5 0.05 1 192 . 25 PRO HB2 H 2.08 0.005 2 193 . 25 PRO HB3 H 1.68 0.005 2 194 . 25 PRO CG C 26.8 0.05 1 195 . 25 PRO HG2 H 1.80 0.005 1 196 . 25 PRO HG3 H 1.80 0.005 1 197 . 25 PRO HD2 H 3.61 0.005 2 198 . 25 PRO HD3 H 3.31 0.005 2 199 . 26 ARG N N 120.9 0.05 1 200 . 26 ARG H H 8.30 0.005 1 201 . 26 ARG CA C 55.4 0.05 1 202 . 26 ARG HA H 4.18 0.005 1 203 . 26 ARG CB C 30.5 0.05 1 204 . 26 ARG HB2 H 1.65 0.005 2 205 . 26 ARG HB3 H 1.56 0.005 2 206 . 26 ARG CG C 26.6 0.05 1 207 . 26 ARG HG2 H 1.44 0.005 1 208 . 26 ARG HG3 H 1.44 0.005 1 209 . 26 ARG CD C 42.9 0.05 1 210 . 26 ARG HD2 H 2.99 0.005 1 211 . 26 ARG HD3 H 2.99 0.005 1 212 . 27 GLN N N 123.0 0.05 1 213 . 27 GLN H H 8.42 0.005 1 214 . 27 GLN CA C 53.4 0.05 1 215 . 27 GLN HA H 4.44 0.005 1 216 . 27 GLN CB C 28.7 0.05 1 217 . 27 GLN HB2 H 1.98 0.005 2 218 . 27 GLN HB3 H 1.80 0.005 2 219 . 27 GLN CG C 33.3 0.05 1 220 . 27 GLN HG2 H 2.50 0.005 2 221 . 27 GLN HG3 H 2.17 0.005 2 222 . 28 PRO HA H 4.30 0.005 1 223 . 28 PRO HD2 H 3.68 0.005 2 224 . 28 PRO HD3 H 3.55 0.005 2 225 . 29 GLY N N 108.5 0.05 1 226 . 29 GLY H H 8.28 0.005 1 227 . 29 GLY HA2 H 3.77 0.005 1 228 . 29 GLY HA3 H 3.77 0.005 1 229 . 30 TYR N N 120.6 0.05 1 230 . 30 TYR H H 7.91 0.005 1 231 . 30 TYR HA H 4.67 0.005 1 232 . 30 TYR HB2 H 2.94 0.005 2 233 . 30 TYR HB3 H 2.75 0.005 2 234 . 30 TYR HD1 H 7.02 0.005 1 235 . 31 PRO HA H 4.28 0.005 1 236 . 32 HIS N N 118.4 0.05 1 237 . 32 HIS H H 8.44 0.005 1 238 . 32 HIS HA H 4.58 0.005 1 239 . 32 HIS HB2 H 3.04 0.005 1 240 . 32 HIS HB3 H 3.04 0.005 1 241 . 32 HIS HD1 H 7.01 0.005 1 242 . 33 ASN N N 120.9 0.05 1 243 . 33 ASN H H 8.41 0.005 1 244 . 33 ASN HA H 4.83 0.005 1 245 . 34 PRO HA H 4.29 0.005 1 246 . 34 PRO HD2 H 3.60 0.005 2 247 . 35 GLY N N 108.1 0.05 1 248 . 35 GLY H H 8.25 0.005 1 249 . 35 GLY HA2 H 3.74 0.005 1 250 . 35 GLY HA3 H 3.74 0.005 1 251 . 36 TYR N N 120.6 0.05 1 252 . 36 TYR H H 7.80 0.005 1 253 . 36 TYR HA H 4.68 0.005 1 254 . 36 TYR HB2 H 2.94 0.005 2 255 . 36 TYR HB3 H 2.75 0.005 2 256 . 36 TYR HD1 H 6.99 0.005 1 257 . 37 PRO HA H 4.25 0.005 1 258 . 38 HIS N N 118.2 0.05 1 259 . 38 HIS H H 8.36 0.005 1 260 . 38 HIS HA H 4.54 0.005 1 261 . 38 HIS HB2 H 2.99 0.005 1 262 . 38 HIS HB3 H 2.99 0.005 1 263 . 39 ASN N N 120.9 0.05 1 264 . 39 ASN H H 8.39 0.005 1 265 . 39 ASN HA H 4.83 0.005 1 266 . 39 ASN HB2 H 2.67 0.005 2 267 . 39 ASN HB3 H 2.54 0.005 2 268 . 40 PRO HA H 4.30 0.005 1 269 . 40 PRO HD2 H 3.59 0.005 2 270 . 41 GLY N N 108.1 0.05 1 271 . 41 GLY H H 8.26 0.005 1 272 . 41 GLY HA2 H 3.75 0.005 1 273 . 41 GLY HA3 H 3.75 0.005 1 274 . 42 TYR N N 120.6 0.05 1 275 . 42 TYR H H 7.78 0.005 1 276 . 42 TYR HA H 4.68 0.005 1 277 . 42 TYR HB2 H 2.94 0.005 2 278 . 42 TYR HB3 H 2.75 0.005 2 279 . 42 TYR HD1 H 6.99 0.005 1 280 . 43 PRO HA H 4.25 0.005 1 281 . 44 HIS N N 118.2 0.05 1 282 . 44 HIS H H 8.40 0.005 1 283 . 44 HIS HA H 4.54 0.005 1 284 . 44 HIS HB2 H 3.04 0.005 1 285 . 44 HIS HB3 H 3.04 0.005 1 286 . 44 HIS HD1 H 7.02 0.005 1 287 . 45 ASN N N 120.9 0.05 1 288 . 45 ASN H H 8.42 0.005 1 289 . 45 ASN HA H 4.68 0.005 1 290 . 45 ASN HB2 H 2.68 0.005 2 291 . 45 ASN HB3 H 2.54 0.005 2 292 . 50 HIS N N 118.2 0.05 1 293 . 50 HIS H H 8.41 0.005 1 294 . 50 HIS HA H 4.58 0.005 1 295 . 50 HIS HB2 H 3.08 0.005 1 296 . 50 HIS HB3 H 3.08 0.005 1 297 . 50 HIS HD1 H 7.02 0.005 1 298 . 51 ASN N N 120.9 0.05 1 299 . 51 ASN H H 8.43 0.005 1 300 . 51 ASN HA H 4.82 0.005 1 301 . 51 ASN HB2 H 2.71 0.005 2 302 . 51 ASN HB3 H 2.53 0.005 2 303 . 52 PRO HA H 4.32 0.005 1 304 . 53 GLY N N 108.8 0.05 1 305 . 53 GLY H H 8.40 0.005 1 306 . 53 GLY HA2 H 3.78 0.005 1 307 . 53 GLY HA3 H 3.78 0.005 1 308 . 54 TYR N N 120.9 0.05 1 309 . 54 TYR H H 7.79 0.005 1 310 . 54 TYR HA H 4.25 0.005 1 311 . 54 TYR HB2 H 2.89 0.005 2 312 . 54 TYR HB3 H 2.75 0.005 2 313 . 54 TYR HD1 H 6.92 0.005 1 314 . 55 PRO CD C 50.3 0.05 1 315 . 55 PRO HA H 4.25 0.005 1 316 . 55 PRO HD2 H 3.66 0.005 2 317 . 56 GLN N N 120.0 0.05 1 318 . 56 GLN H H 8.32 0.005 1 319 . 56 GLN CA C 55.5 0.05 1 320 . 56 GLN HA H 4.21 0.005 1 321 . 56 GLN CB C 29.4 0.05 1 322 . 56 GLN HB2 H 1.99 0.005 2 323 . 56 GLN HB3 H 1.86 0.005 2 324 . 56 GLN CG C 33.3 0.05 1 325 . 56 GLN HG2 H 2.24 0.005 1 326 . 56 GLN HG3 H 2.24 0.005 1 327 . 57 ASN N N 120.2 0.05 1 328 . 57 ASN H H 8.35 0.005 1 329 . 57 ASN CA C 51.0 0.05 1 330 . 57 ASN HA H 4.81 0.005 1 331 . 57 ASN CB C 38.5 0.05 1 332 . 57 ASN HB2 H 2.68 0.005 2 333 . 57 ASN HB3 H 2.54 0.005 2 334 . 58 PRO HA H 4.29 0.005 1 335 . 58 PRO HD2 H 3.61 0.005 2 336 . 59 GLY N N 107.9 0.05 1 337 . 59 GLY H H 8.23 0.005 1 338 . 59 GLY HA2 H 3.74 0.005 1 339 . 59 GLY HA3 H 3.74 0.005 1 340 . 60 TYR N N 120.8 0.05 1 341 . 60 TYR H H 7.84 0.005 1 342 . 60 TYR HA H 4.67 0.005 1 343 . 60 TYR HB2 H 2.94 0.005 2 344 . 60 TYR HB3 H 2.74 0.005 2 345 . 60 TYR HD1 H 7.01 0.005 1 346 . 61 PRO HA H 4.25 0.005 1 347 . 61 PRO HD2 H 3.60 0.005 2 348 . 62 HIS N N 118.2 0.05 1 349 . 62 HIS H H 8.41 0.005 1 350 . 62 HIS HA H 4.51 0.005 1 351 . 62 HIS HB2 H 3.07 0.005 1 352 . 62 HIS HB3 H 3.07 0.005 1 353 . 62 HIS HD1 H 7.01 0.005 1 354 . 63 ASN N N 120.9 0.05 1 355 . 63 ASN H H 8.41 0.005 1 356 . 63 ASN HA H 4.83 0.005 1 357 . 63 ASN HB2 H 2.73 0.005 2 358 . 63 ASN HB3 H 2.55 0.005 2 359 . 64 PRO HA H 3.91 0.005 1 360 . 65 GLY N N 108.3 0.05 1 361 . 65 GLY H H 8.19 0.005 1 362 . 65 GLY HA2 H 3.71 0.005 2 363 . 65 GLY HA3 H 3.69 0.005 2 364 . 66 TYR N N 120.8 0.05 1 365 . 66 TYR H H 7.69 0.005 1 366 . 66 TYR HA H 4.67 0.005 1 367 . 66 TYR HB2 H 2.86 0.005 2 368 . 66 TYR HB3 H 2.75 0.005 2 369 . 66 TYR HD1 H 6.92 0.005 1 370 . 67 PRO CD C 50.1 0.05 1 371 . 67 PRO CA C 63.1 0.05 1 372 . 67 PRO HA H 4.25 0.005 1 373 . 67 PRO CB C 31.7 0.05 1 374 . 67 PRO HB2 H 2.10 0.005 2 375 . 67 PRO HB3 H 1.77 0.005 2 376 . 67 PRO CG C 26.8 0.05 1 377 . 67 PRO HG2 H 1.77 0.005 1 378 . 67 PRO HG3 H 1.77 0.005 1 379 . 67 PRO HD2 H 3.62 0.005 2 380 . 67 PRO HD3 H 3.58 0.005 2 381 . 68 GLY N N 108.3 0.05 1 382 . 68 GLY H H 7.86 0.005 1 383 . 68 GLY CA C 44.7 0.05 1 384 . 68 GLY HA2 H 3.78 0.005 2 385 . 68 GLY HA3 H 3.69 0.005 2 386 . 69 TRP N N 120.4 0.05 1 387 . 69 TRP H H 7.81 0.005 1 388 . 69 TRP CA C 58.3 0.05 1 389 . 69 TRP HA H 4.47 0.005 1 390 . 69 TRP CB C 29.4 0.05 1 391 . 69 TRP HB2 H 3.13 0.005 2 392 . 69 TRP HB3 H 3.07 0.005 2 393 . 70 GLY N N 110.5 0.05 1 394 . 70 GLY H H 8.18 0.005 1 395 . 70 GLY CA C 45.0 0.05 1 396 . 70 GLY HA2 H 3.63 0.005 2 397 . 70 GLY HA3 H 3.72 0.005 2 398 . 71 GLN N N 119.3 0.05 1 399 . 71 GLN H H 8.14 0.005 1 400 . 71 GLN CA C 55.2 0.05 1 401 . 71 GLN HA H 4.17 0.005 1 402 . 71 GLN CB C 28.9 0.05 1 403 . 71 GLN HB2 H 1.98 0.005 2 404 . 71 GLN HB3 H 1.82 0.005 2 405 . 71 GLN CG C 35.2 0.05 1 406 . 71 GLN HG2 H 2.23 0.005 1 407 . 71 GLN HG3 H 2.23 0.005 1 408 . 72 GLY N N 109.4 0.05 1 409 . 72 GLY H H 8.19 0.005 1 410 . 72 GLY CA C 45.0 0.05 1 411 . 72 GLY HA2 H 3.80 0.005 2 412 . 72 GLY HA3 H 3.72 0.005 2 413 . 73 TYR N N 119.8 0.05 1 414 . 73 TYR H H 7.87 0.005 1 415 . 73 TYR CA C 57.3 0.05 1 416 . 73 TYR HA H 4.35 0.005 1 417 . 73 TYR CB C 38.5 0.05 1 418 . 73 TYR HB2 H 2.77 0.005 2 419 . 73 TYR HB3 H 2.76 0.005 2 420 . 73 TYR HD1 H 6.89 0.005 1 421 . 73 TYR HD2 H 6.89 0.005 1 422 . 74 ASN N N 122.8 0.05 1 423 . 74 ASN H H 8.18 0.005 1 424 . 74 ASN CA C 50.8 0.05 1 425 . 74 ASN HA H 4.82 0.005 1 426 . 74 ASN CB C 38.7 0.05 1 427 . 74 ASN HB2 H 2.67 0.005 2 428 . 74 ASN HB3 H 2.52 0.005 2 429 . 75 PRO CD C 50.1 0.05 1 430 . 75 PRO CA C 63.1 0.05 1 431 . 75 PRO HA H 4.17 0.005 1 432 . 75 PRO CB C 31.7 0.05 1 433 . 75 PRO HB2 H 2.08 0.005 2 434 . 75 PRO HB3 H 1.83 0.005 2 435 . 75 PRO CG C 26.8 0.05 1 436 . 75 PRO HG2 H 1.80 0.005 1 437 . 75 PRO HG3 H 1.80 0.005 1 438 . 75 PRO HD2 H 3.60 0.005 2 439 . 75 PRO HD3 H 3.51 0.005 2 440 . 76 SER N N 114.9 0.05 1 441 . 76 SER H H 8.14 0.005 1 442 . 76 SER CA C 58.2 0.05 1 443 . 76 SER HA H 4.31 0.005 1 444 . 76 SER HB2 H 3.75 0.005 1 445 . 76 SER HB3 H 3.75 0.005 1 446 . 77 SER N N 116.9 0.05 1 447 . 77 SER H H 8.04 0.005 1 448 . 77 SER CA C 58.2 0.05 1 449 . 77 SER HA H 4.33 0.005 1 450 . 77 SER CB C 63.4 0.05 1 451 . 77 SER HB2 H 3.74 0.005 1 452 . 77 SER HB3 H 3.74 0.005 1 453 . 78 GLY N N 110.3 0.05 1 454 . 78 GLY H H 8.27 0.005 1 455 . 78 GLY CA C 45.2 0.05 1 456 . 78 GLY HA2 H 3.88 0.005 1 457 . 78 GLY HA3 H 3.88 0.005 1 458 . 79 GLY N N 108.3 0.05 1 459 . 79 GLY H H 8.12 0.005 1 460 . 79 GLY CA C 45.2 0.05 1 461 . 79 GLY HA2 H 3.85 0.005 1 462 . 79 GLY HA3 H 3.85 0.005 1 463 . 80 SER N N 115.1 0.05 1 464 . 80 SER H H 8.10 0.005 1 465 . 80 SER CA C 58.0 0.05 1 466 . 80 SER HA H 4.30 0.005 1 467 . 80 SER HB2 H 3.66 0.005 1 468 . 80 SER HB3 H 3.66 0.005 1 469 . 81 TYR N N 121.7 0.05 1 470 . 81 TYR H H 8.12 0.005 1 471 . 81 TYR CA C 55.4 0.05 1 472 . 81 TYR HA H 4.36 0.005 1 473 . 81 TYR CB C 38.5 0.05 1 474 . 81 TYR HB2 H 2.79 0.005 2 475 . 81 TYR HB3 H 2.76 0.005 2 476 . 81 TYR HD1 H 6.96 0.005 1 477 . 81 TYR HD2 H 6.96 0.005 1 478 . 82 HIS N N 119.8 0.05 1 479 . 82 HIS H H 8.27 0.005 1 480 . 82 HIS CA C 54.8 0.05 1 481 . 82 HIS HA H 4.48 0.005 1 482 . 82 HIS CB C 28.4 0.05 1 483 . 82 HIS HB2 H 3.09 0.005 2 484 . 82 HIS HB3 H 2.94 0.005 2 485 . 82 HIS HD1 H 7.21 0.005 1 486 . 83 ASN N N 119.1 0.05 1 487 . 83 ASN H H 8.26 0.005 1 488 . 83 ASN CA C 52.9 0.05 1 489 . 83 ASN HA H 4.49 0.005 1 490 . 83 ASN CB C 38.5 0.05 1 491 . 83 ASN HB2 H 2.71 0.005 2 492 . 83 ASN HB3 H 2.62 0.005 2 493 . 84 GLN N N 120.8 0.05 1 494 . 84 GLN H H 8.33 0.005 1 495 . 84 GLN CA C 57.0 0.05 1 496 . 84 GLN HA H 4.21 0.005 1 497 . 84 GLN CB C 28.7 0.05 1 498 . 84 GLN HB2 H 1.99 0.005 2 499 . 84 GLN HB3 H 1.85 0.005 2 500 . 84 GLN CG C 33.3 0.05 1 501 . 84 GLN HG2 H 2.23 0.005 1 502 . 84 GLN HG3 H 2.23 0.005 1 503 . 85 LYS N N 123.5 0.05 1 504 . 85 LYS H H 8.15 0.005 1 505 . 85 LYS CA C 53.8 0.05 1 506 . 85 LYS HA H 4.45 0.005 1 507 . 85 LYS CB C 32.2 0.05 1 508 . 85 LYS HB2 H 1.67 0.005 2 509 . 85 LYS HB3 H 1.59 0.005 2 510 . 85 LYS CG C 24.7 0.05 1 511 . 85 LYS HG2 H 1.37 0.005 1 512 . 85 LYS HG3 H 1.37 0.005 1 513 . 85 LYS CD C 28.7 0.05 1 514 . 85 LYS HD2 H 1.56 0.005 1 515 . 85 LYS HD3 H 1.56 0.005 1 516 . 85 LYS CE C 41.7 0.05 1 517 . 85 LYS HE2 H 2.90 0.005 1 518 . 85 LYS HE3 H 2.90 0.005 1 519 . 86 PRO CA C 62.9 0.05 1 520 . 86 PRO HA H 4.27 0.005 1 521 . 86 PRO CB C 31.7 0.05 1 522 . 86 PRO HB2 H 2.08 0.005 2 523 . 86 PRO HB3 H 1.77 0.005 2 524 . 86 PRO CG C 26.8 0.05 1 525 . 86 PRO HG2 H 1.86 0.005 1 526 . 86 PRO HG3 H 1.86 0.005 1 527 . 86 PRO HD2 H 3.63 0.005 2 528 . 86 PRO HD3 H 3.48 0.005 2 529 . 87 TRP N N 122.6 0.05 1 530 . 87 TRP H H 8.27 0.005 1 531 . 87 TRP CA C 57.5 0.05 1 532 . 87 TRP HA H 4.43 0.005 1 533 . 87 TRP CB C 29.4 0.05 1 534 . 87 TRP HB2 H 3.11 0.005 2 535 . 87 TRP HB3 H 3.05 0.005 2 536 . 88 LYS N N 125.5 0.05 1 537 . 88 LYS H H 7.53 0.005 1 538 . 88 LYS CA C 52.7 0.05 1 539 . 88 LYS HA H 4.28 0.005 1 540 . 88 LYS CB C 33.1 0.05 1 541 . 88 LYS HB2 H 1.47 0.005 2 542 . 88 LYS HB3 H 1.32 0.005 2 543 . 88 LYS CG C 23.8 0.05 1 544 . 88 LYS HG2 H 1.12 0.005 1 545 . 88 LYS HG3 H 1.12 0.005 1 546 . 88 LYS CD C 28.9 0.05 1 547 . 88 LYS HD2 H 1.47 0.005 1 548 . 88 LYS HD3 H 1.47 0.005 1 549 . 88 LYS CE C 41.7 0.05 1 550 . 88 LYS HE2 H 2.79 0.005 1 551 . 88 LYS HE3 H 2.79 0.005 1 552 . 89 PRO CD C 50.1 0.05 1 553 . 89 PRO CA C 60.6 0.05 1 554 . 89 PRO HA H 4.05 0.005 1 555 . 89 PRO CB C 30.3 0.05 1 556 . 89 PRO HB2 H 2.13 0.005 2 557 . 89 PRO HB3 H 1.69 0.005 2 558 . 89 PRO CG C 26.8 0.05 1 559 . 89 PRO HG2 H 1.79 0.005 1 560 . 89 PRO HG3 H 1.79 0.005 1 561 . 89 PRO HD2 H 3.57 0.005 2 562 . 89 PRO HD3 H 3.31 0.005 2 563 . 90 PRO CD C 50.1 0.05 1 564 . 90 PRO CA C 62.2 0.05 1 565 . 90 PRO HA H 4.26 0.005 1 566 . 90 PRO CB C 31.7 0.05 1 567 . 90 PRO HB2 H 2.11 0.005 2 568 . 90 PRO HB3 H 1.83 0.005 2 569 . 90 PRO CG C 27.0 0.05 1 570 . 90 PRO HG2 H 1.91 0.005 1 571 . 90 PRO HG3 H 1.91 0.005 1 572 . 90 PRO HD2 H 3.61 0.005 2 573 . 90 PRO HD3 H 3.55 0.005 2 574 . 91 LYS N N 121.1 0.05 1 575 . 91 LYS H H 8.32 0.005 1 576 . 91 LYS CA C 55.9 0.05 1 577 . 91 LYS HA H 4.21 0.005 1 578 . 91 LYS CB C 32.9 0.05 1 579 . 91 LYS HB2 H 1.70 0.005 2 580 . 91 LYS HB3 H 1.64 0.005 2 581 . 91 LYS CG C 24.3 0.05 1 582 . 91 LYS HG2 H 1.29 0.005 1 583 . 91 LYS HG3 H 1.29 0.005 1 584 . 91 LYS CD C 28.9 0.05 1 585 . 91 LYS HD2 H 1.56 0.005 1 586 . 91 LYS HD3 H 1.56 0.005 1 587 . 91 LYS CE C 41.7 0.05 1 588 . 91 LYS HE2 H 2.88 0.005 1 589 . 91 LYS HE3 H 2.88 0.005 1 590 . 92 THR N N 115.1 0.05 1 591 . 92 THR H H 8.04 0.005 1 592 . 92 THR CA C 61.0 0.05 1 593 . 92 THR HA H 4.17 0.005 1 594 . 92 THR CB C 69.4 0.05 1 595 . 92 THR HB H 3.93 0.005 1 596 . 92 THR HG2 H 0.97 0.005 1 597 . 92 THR CG2 C 21.2 0.05 1 598 . 93 ASN N N 120.9 0.05 1 599 . 93 ASN H H 8.33 0.005 1 600 . 93 ASN CA C 52.4 0.05 1 601 . 93 ASN HA H 4.60 0.005 1 602 . 93 ASN CB C 38.5 0.05 1 603 . 93 ASN HB2 H 2.65 0.005 2 604 . 93 ASN HB3 H 2.57 0.005 2 605 . 94 PHE N N 120.8 0.05 1 606 . 94 PHE H H 8.12 0.005 1 607 . 94 PHE CA C 57.3 0.05 1 608 . 94 PHE HA H 4.48 0.005 1 609 . 94 PHE CB C 39.4 0.05 1 610 . 94 PHE HB2 H 3.00 0.005 2 611 . 94 PHE HB3 H 2.87 0.005 2 612 . 94 PHE HD1 H 7.11 0.005 1 613 . 94 PHE HD2 H 7.11 0.005 1 614 . 95 LYS N N 122.4 0.05 1 615 . 95 LYS H H 8.15 0.005 1 616 . 95 LYS CA C 55.7 0.05 1 617 . 95 LYS HA H 4.12 0.005 1 618 . 95 LYS CB C 32.6 0.05 1 619 . 95 LYS HB2 H 1.60 0.005 2 620 . 95 LYS HB3 H 1.56 0.005 2 621 . 95 LYS CG C 24.5 0.05 1 622 . 95 LYS HG2 H 1.34 0.005 1 623 . 95 LYS HG3 H 1.34 0.005 1 624 . 95 LYS CD C 28.9 0.05 1 625 . 95 LYS HD2 H 1.56 0.005 1 626 . 95 LYS HD3 H 1.56 0.005 1 627 . 95 LYS CE C 41.7 0.05 1 628 . 95 LYS HE2 H 2.86 0.005 1 629 . 95 LYS HE3 H 2.86 0.005 1 630 . 96 HIS N N 120.0 0.05 1 631 . 96 HIS H H 8.42 0.005 1 632 . 96 HIS CA C 54.8 0.05 1 633 . 96 HIS HA H 4.54 0.005 1 634 . 96 HIS CB C 28.7 0.05 1 635 . 96 HIS HB2 H 3.08 0.005 2 636 . 96 HIS HB3 H 3.02 0.005 2 637 . 96 HIS HD1 H 7.00 0.005 1 638 . 96 HIS HE1 H 7.33 0.005 1 639 . 97 VAL N N 122.4 0.05 1 640 . 97 VAL H H 8.13 0.005 1 641 . 97 VAL CA C 61.7 0.05 1 642 . 97 VAL HA H 3.99 0.005 1 643 . 97 VAL CB C 32.4 0.05 1 644 . 97 VAL HB H 1.92 0.005 1 645 . 97 VAL HG1 H 0.79 0.005 2 646 . 97 VAL HG2 H 0.77 0.005 2 647 . 97 VAL CG1 C 20.3 0.05 1 648 . 98 ALA N N 127.9 0.05 1 649 . 98 ALA H H 8.41 0.005 1 650 . 98 ALA CA C 52.2 0.05 1 651 . 98 ALA HA H 4.17 0.005 1 652 . 98 ALA HB H 1.28 0.005 1 653 . 99 GLY N N 108.5 0.05 1 654 . 99 GLY H H 8.19 0.005 1 655 . 99 GLY CA C 44.9 0.05 1 656 . 99 GLY HA2 H 3.83 0.005 1 657 . 99 GLY HA3 H 3.83 0.005 1 658 . 100 ALA N N 123.5 0.05 1 659 . 100 ALA H H 8.06 0.005 1 660 . 100 ALA CA C 52.4 0.05 1 661 . 100 ALA HA H 4.22 0.005 1 662 . 100 ALA HB H 0.79 0.005 1 663 . 102 ALA N N 123.0 0.05 1 664 . 102 ALA H H 8.22 0.005 1 665 . 102 ALA HB H 1.28 0.005 1 666 . 103 ALA N N 123.0 0.05 1 667 . 103 ALA H H 8.23 0.005 1 668 . 103 ALA CA C 52.2 0.05 1 669 . 103 ALA HA H 4.19 0.005 1 670 . 103 ALA HB H 1.26 0.005 1 671 . 103 ALA CB C 19.1 0.05 1 672 . 104 GLY N N 107.7 0.05 1 673 . 104 GLY H H 8.22 0.005 1 674 . 104 GLY CA C 45.0 0.05 1 675 . 104 GLY HA2 H 3.81 0.005 1 676 . 104 GLY HA3 H 3.81 0.005 1 677 . 105 ALA N N 123.1 0.05 1 678 . 105 ALA H H 7.94 0.005 1 679 . 105 ALA CA C 52.0 0.05 1 680 . 105 ALA HA H 4.22 0.005 1 681 . 105 ALA HB H 1.25 0.005 1 682 . 105 ALA CB C 19.1 0.05 1 683 . 106 VAL N N 119.5 0.05 1 684 . 106 VAL H H 8.04 0.005 1 685 . 106 VAL CA C 62.0 0.05 1 686 . 106 VAL HA H 4.00 0.005 1 687 . 106 VAL HB H 1.89 0.005 1 688 . 106 VAL HG1 H 0.79 0.005 2 689 . 107 VAL N N 124.2 0.05 1 690 . 107 VAL H H 8.18 0.005 1 691 . 107 VAL CA C 62.0 0.05 1 692 . 107 VAL HA H 4.00 0.005 1 693 . 107 VAL CB C 32.4 0.05 1 694 . 107 VAL HB H 1.91 0.005 1 695 . 107 VAL HG1 H 0.79 0.005 2 696 . 107 VAL CG1 C 20.3 0.05 1 stop_ save_