data_6269 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for chPrP(128-242) ; _BMRB_accession_number 6269 _BMRB_flat_file_name bmr6269.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" 690 "13C chemical shifts" 355 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-10-18 original BMRB . stop_ _Original_release_date 2004-07-22 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 (128-242)' _Abbreviation_common chPrP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chPrP (128-242)' $chPrP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _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 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSVVGGLGGYAMGRVMSGMN YHFDRPDEYRWWSENSARYP NRVYYRDYSSPVPQDVFVAD CFNITVTEYSIGPAAKKNTS EAVAAANQTEVEMENKVVTK VIREMCVQQYREYRLAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 126 GLY 2 127 SER 3 128 VAL 4 129 VAL 5 130 GLY 6 131 GLY 7 132 LEU 8 133 GLY 9 134 GLY 10 135 TYR 11 136 ALA 12 137 MET 13 138 GLY 14 139 ARG 15 140 VAL 16 141 MET 17 142 SER 18 143 GLY 19 144 MET 20 145 ASN 21 146 TYR 22 147 HIS 23 148 PHE 24 149 ASP 25 150 ARG 26 151 PRO 27 152 ASP 28 153 GLU 29 154 TYR 30 155 ARG 31 156 TRP 32 157 TRP 33 158 SER 34 159 GLU 35 160 ASN 36 161 SER 37 162 ALA 38 163 ARG 39 164 TYR 40 165 PRO 41 166 ASN 42 167 ARG 43 168 VAL 44 169 TYR 45 170 TYR 46 171 ARG 47 172 ASP 48 173 TYR 49 174 SER 50 175 SER 51 176 PRO 52 177 VAL 53 178 PRO 54 179 GLN 55 180 ASP 56 181 VAL 57 182 PHE 58 183 VAL 59 184 ALA 60 185 ASP 61 186 CYS 62 187 PHE 63 188 ASN 64 189 ILE 65 190 THR 66 191 VAL 67 192 THR 68 193 GLU 69 194 TYR 70 195 SER 71 196 ILE 72 197 GLY 73 198 PRO 74 199 ALA 75 200 ALA 76 201 LYS 77 202 LYS 78 203 ASN 79 204 THR 80 205 SER 81 206 GLU 82 207 ALA 83 208 VAL 84 209 ALA 85 210 ALA 86 211 ALA 87 212 ASN 88 213 GLN 89 214 THR 90 215 GLU 91 216 VAL 92 217 GLU 93 218 MET 94 219 GLU 95 220 ASN 96 221 LYS 97 222 VAL 98 223 VAL 99 224 THR 100 225 LYS 101 226 VAL 102 227 ILE 103 228 ARG 104 229 GLU 105 230 MET 106 231 CYS 107 232 VAL 108 233 GLN 109 234 GLN 110 235 TYR 111 236 ARG 112 237 GLU 113 238 TYR 114 239 ARG 115 240 LEU 116 241 ALA 117 242 SER stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1U3M 'Nmr Structure Of The Chicken Prion Protein Fragment 128-242' 100.00 117 100.00 100.00 2.19e-63 GenBank AAA49041 'prion-like protein' 100.00 267 99.15 100.00 2.16e-63 GenBank AAC28970 'prion protein [Gallus gallus]' 100.00 273 98.29 99.15 8.34e-63 GenBank AAR21237 'prion protein [Melopsittacus undulatus]' 92.31 273 98.15 98.15 9.16e-57 REF NP_990796 'prion protein [Gallus gallus]' 100.00 267 99.15 100.00 2.16e-63 SWISS-PROT P27177 'Major prion protein homolog precursor (PR-LP) (Acetylcholine receptor-inducing activity) (ARIA) (65-21 protein)' 100.00 273 98.29 99.15 8.34e-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-13C; U-15N]' 'sodium acetate' 1.0 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_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . 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_ _Experiment_label '1H-15N NOESY' '1H-13N NOESY aliphatic, aromatic' HNCA HNCACB stop_ 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 (128-242)' _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 42.6 0.05 1 2 . 1 GLY HA2 H 3.87 0.005 1 3 . 1 GLY HA3 H 3.87 0.005 1 4 . 2 SER N N 117.7 0.05 1 5 . 2 SER H H 8.65 0.005 1 6 . 2 SER CA C 57.8 0.05 1 7 . 2 SER HA H 4.54 0.005 1 8 . 2 SER CB C 63.6 0.05 1 9 . 2 SER HB2 H 3.80 0.005 1 10 . 2 SER HB3 H 3.80 0.005 1 11 . 3 VAL N N 124.0 0.05 1 12 . 3 VAL H H 8.34 0.005 1 13 . 3 VAL CA C 61.7 0.05 1 14 . 3 VAL HA H 4.15 0.005 1 15 . 3 VAL CB C 32.5 0.05 1 16 . 3 VAL HB H 2.02 0.005 1 17 . 3 VAL HG1 H 0.90 0.005 2 18 . 3 VAL HG2 H 0.87 0.005 2 19 . 3 VAL CG1 C 20.3 0.05 1 20 . 3 VAL CG2 C 20.2 0.05 1 21 . 4 VAL N N 126.6 0.05 1 22 . 4 VAL H H 8.30 0.005 1 23 . 4 VAL CA C 62.0 0.05 1 24 . 4 VAL HA H 4.06 0.005 1 25 . 4 VAL CB C 32.2 0.05 1 26 . 4 VAL HB H 1.99 0.005 1 27 . 4 VAL HG1 H 0.89 0.005 2 28 . 4 VAL HG2 H 0.87 0.005 2 29 . 4 VAL CG1 C 20.5 0.05 1 30 . 5 GLY N N 114.9 0.05 1 31 . 5 GLY H H 8.51 0.005 1 32 . 5 GLY CA C 44.5 0.05 1 33 . 5 GLY HA2 H 3.94 0.005 2 34 . 5 GLY HA3 H 3.91 0.005 2 35 . 6 GLY N N 110.2 0.05 1 36 . 6 GLY H H 8.23 0.005 1 37 . 6 GLY CA C 44.5 0.05 1 38 . 6 GLY HA2 H 3.91 0.005 1 39 . 6 GLY HA3 H 3.91 0.005 1 40 . 7 LEU N N 123.3 0.05 1 41 . 7 LEU H H 8.26 0.005 1 42 . 7 LEU CA C 54.8 0.05 1 43 . 7 LEU HA H 4.30 0.005 1 44 . 7 LEU CB C 41.9 0.05 1 45 . 7 LEU HB2 H 1.55 0.005 1 46 . 7 LEU HB3 H 1.55 0.005 1 47 . 7 LEU CG C 26.6 0.05 1 48 . 7 LEU HG H 1.54 0.005 1 49 . 7 LEU HD1 H 0.79 0.005 2 50 . 7 LEU HD2 H 0.71 0.005 2 51 . 7 LEU CD1 C 24.6 0.05 1 52 . 7 LEU CD2 C 23.2 0.05 1 53 . 8 GLY N N 111.3 0.05 1 54 . 8 GLY H H 8.44 0.005 1 55 . 8 GLY CA C 45.2 0.05 1 56 . 8 GLY HA2 H 3.83 0.005 2 57 . 8 GLY HA3 H 3.80 0.005 2 58 . 9 GLY N N 110.3 0.05 1 59 . 9 GLY H H 8.13 0.005 1 60 . 9 GLY CA C 44.5 0.05 1 61 . 9 GLY HA2 H 3.78 0.005 2 62 . 9 GLY HA3 H 3.73 0.005 2 63 . 10 TYR N N 120.3 0.05 1 64 . 10 TYR H H 7.73 0.005 1 65 . 10 TYR CA C 55.7 0.05 1 66 . 10 TYR HA H 4.82 0.005 1 67 . 10 TYR CB C 39.9 0.05 1 68 . 10 TYR HB2 H 2.89 0.005 2 69 . 10 TYR HB3 H 2.70 0.005 2 70 . 10 TYR HD1 H 6.74 0.005 1 71 . 10 TYR HD2 H 6.74 0.005 1 72 . 10 TYR HE1 H 6.54 0.005 1 73 . 10 TYR HE2 H 6.54 0.005 1 74 . 10 TYR CD1 C 132.4 0.05 1 75 . 10 TYR CE1 C 117.7 0.05 1 76 . 11 ALA N N 126.7 0.05 1 77 . 11 ALA H H 8.70 0.005 1 78 . 11 ALA CA C 50.1 0.05 1 79 . 11 ALA HA H 4.39 0.005 1 80 . 11 ALA HB H 0.62 0.005 1 81 . 11 ALA CB C 20.3 0.05 1 82 . 12 MET N N 119.6 0.05 1 83 . 12 MET H H 8.16 0.005 1 84 . 12 MET CA C 54.3 0.05 1 85 . 12 MET HA H 4.46 0.005 1 86 . 12 MET CB C 35.0 0.05 1 87 . 12 MET HB2 H 1.82 0.005 2 88 . 12 MET HB3 H 1.66 0.005 2 89 . 12 MET CG C 31.2 0.05 1 90 . 12 MET HG2 H 2.11 0.005 1 91 . 12 MET HG3 H 2.11 0.005 1 92 . 13 GLY N N 115.6 0.05 1 93 . 13 GLY H H 9.19 0.005 1 94 . 13 GLY CA C 43.8 0.05 1 95 . 13 GLY HA2 H 4.43 0.005 2 96 . 13 GLY HA3 H 4.22 0.005 2 97 . 14 ARG N N 119.3 0.05 1 98 . 14 ARG H H 8.12 0.005 1 99 . 14 ARG CA C 54.8 0.05 1 100 . 14 ARG HA H 4.39 0.005 1 101 . 14 ARG CB C 30.8 0.05 1 102 . 14 ARG HB2 H 1.91 0.005 1 103 . 14 ARG HB3 H 1.91 0.005 1 104 . 14 ARG CG C 26.6 0.05 1 105 . 14 ARG HG2 H 1.71 0.005 2 106 . 14 ARG HG3 H 1.54 0.005 2 107 . 14 ARG CD C 43.2 0.05 1 108 . 14 ARG HD2 H 3.17 0.005 1 109 . 14 ARG HD3 H 3.17 0.005 1 110 . 14 ARG NE N 88.3 0.05 1 111 . 14 ARG HE H 8.51 0.005 1 112 . 14 ARG HH11 H 6.87 0.005 1 113 . 14 ARG HH12 H 6.87 0.005 1 114 . 15 VAL N N 122.1 0.05 1 115 . 15 VAL H H 8.42 0.005 1 116 . 15 VAL CA C 64.2 0.05 1 117 . 15 VAL HA H 3.91 0.005 1 118 . 15 VAL CB C 31.8 0.05 1 119 . 15 VAL HB H 1.94 0.005 1 120 . 15 VAL HG1 H 0.99 0.005 2 121 . 15 VAL HG2 H 0.95 0.005 2 122 . 15 VAL CG1 C 21.8 0.05 1 123 . 15 VAL CG2 C 21.0 0.05 1 124 . 16 MET N N 132.5 0.05 1 125 . 16 MET H H 9.14 0.005 1 126 . 16 MET CA C 54.1 0.05 1 127 . 16 MET HA H 4.72 0.005 1 128 . 16 MET CB C 31.7 0.05 1 129 . 16 MET HB2 H 2.07 0.005 2 130 . 16 MET HB3 H 2.06 0.005 2 131 . 16 MET CG C 33.0 0.05 1 132 . 16 MET HG2 H 2.77 0.005 2 133 . 16 MET HG3 H 2.69 0.005 2 134 . 16 MET HE H 2.11 0.005 1 135 . 16 MET CE C 18.1 0.05 1 136 . 17 SER N N 118.4 0.05 1 137 . 17 SER H H 7.90 0.005 1 138 . 17 SER CA C 58.2 0.05 1 139 . 17 SER HA H 4.57 0.005 1 140 . 17 SER CB C 63.6 0.05 1 141 . 17 SER HB2 H 3.82 0.005 1 142 . 17 SER HB3 H 3.82 0.005 1 143 . 18 GLY N N 113.0 0.05 1 144 . 18 GLY H H 8.87 0.005 1 145 . 18 GLY CA C 45.7 0.05 1 146 . 18 GLY HA2 H 3.93 0.005 1 147 . 18 GLY HA3 H 3.93 0.005 1 148 . 19 MET N N 120.0 0.05 1 149 . 19 MET H H 7.63 0.005 1 150 . 19 MET CA C 54.8 0.05 1 151 . 19 MET HA H 4.12 0.005 1 152 . 19 MET CB C 32.6 0.05 1 153 . 19 MET HB2 H 1.68 0.005 2 154 . 19 MET HB3 H 1.35 0.005 2 155 . 19 MET CG C 31.8 0.05 1 156 . 19 MET HG2 H 2.22 0.005 2 157 . 19 MET HG3 H 2.15 0.005 2 158 . 19 MET HE H 1.88 0.005 1 159 . 19 MET CE C 16.6 0.05 1 160 . 20 ASN N N 122.1 0.05 1 161 . 20 ASN H H 8.28 0.005 1 162 . 20 ASN CA C 51.3 0.05 1 163 . 20 ASN HA H 4.68 0.005 1 164 . 20 ASN CB C 38.2 0.05 1 165 . 20 ASN HB2 H 2.65 0.005 2 166 . 20 ASN HB3 H 2.53 0.005 2 167 . 20 ASN ND2 N 114.2 0.05 1 168 . 20 ASN HD21 H 7.50 0.005 2 169 . 20 ASN HD22 H 6.84 0.005 2 170 . 21 TYR N N 123.4 0.05 1 171 . 21 TYR H H 7.86 0.005 1 172 . 21 TYR CA C 58.0 0.05 1 173 . 21 TYR HA H 4.37 0.005 1 174 . 21 TYR HB2 H 3.77 0.005 1 175 . 21 TYR HB3 H 3.77 0.005 1 176 . 21 TYR HD1 H 7.08 0.005 1 177 . 21 TYR HD2 H 7.08 0.005 1 178 . 21 TYR HE1 H 6.81 0.005 1 179 . 21 TYR HE2 H 6.81 0.005 1 180 . 21 TYR CD1 C 133.2 0.05 1 181 . 21 TYR CE1 C 118.5 0.05 1 182 . 22 HIS N N 123.0 0.05 1 183 . 22 HIS H H 7.56 0.005 1 184 . 22 HIS CA C 54.5 0.05 1 185 . 22 HIS HA H 4.49 0.005 1 186 . 22 HIS CB C 27.5 0.05 1 187 . 22 HIS HB2 H 3.06 0.005 1 188 . 22 HIS HB3 H 3.06 0.005 1 189 . 22 HIS CE1 C 136.0 0.05 1 190 . 22 HIS HE1 H 8.54 0.005 1 191 . 23 PHE N N 117.3 0.05 1 192 . 23 PHE H H 7.32 0.005 1 193 . 23 PHE CA C 57.5 0.05 1 194 . 23 PHE HA H 4.15 0.005 1 195 . 23 PHE CB C 38.9 0.05 1 196 . 23 PHE HB2 H 2.02 0.005 2 197 . 23 PHE HB3 H 1.80 0.005 2 198 . 23 PHE HD1 H 7.03 0.005 1 199 . 23 PHE HD2 H 7.03 0.005 1 200 . 23 PHE HE1 H 6.87 0.005 1 201 . 23 PHE HE2 H 6.87 0.005 1 202 . 23 PHE CE1 C 132.4 0.05 1 203 . 23 PHE CZ C 128.3 0.05 1 204 . 23 PHE HZ H 6.81 0.005 1 205 . 24 ASP N N 121.1 0.05 1 206 . 24 ASP H H 8.73 0.005 1 207 . 24 ASP CA C 55.2 0.05 1 208 . 24 ASP HA H 4.61 0.005 1 209 . 24 ASP CB C 41.2 0.05 1 210 . 24 ASP HB2 H 2.79 0.005 1 211 . 24 ASP HB3 H 2.79 0.005 1 212 . 25 ARG N N 118.1 0.05 1 213 . 25 ARG H H 7.63 0.005 1 214 . 25 ARG CA C 52.4 0.05 1 215 . 25 ARG HA H 5.07 0.005 1 216 . 25 ARG CB C 33.3 0.05 1 217 . 25 ARG HB2 H 2.16 0.005 2 218 . 25 ARG HB3 H 1.64 0.005 2 219 . 25 ARG CG C 26.6 0.05 1 220 . 25 ARG HG2 H 1.66 0.005 2 221 . 25 ARG HG3 H 1.62 0.005 2 222 . 25 ARG CD C 42.9 0.05 1 223 . 25 ARG HD2 H 3.28 0.005 2 224 . 25 ARG HD3 H 3.23 0.005 2 225 . 25 ARG NE N 86.5 0.05 1 226 . 25 ARG HE H 7.85 0.005 1 227 . 25 ARG NH1 N 72.2 0.05 1 228 . 25 ARG HH11 H 6.21 0.005 1 229 . 25 ARG HH12 H 6.21 0.005 1 230 . 25 ARG NH2 N 72.2 0.05 1 231 . 25 ARG HH21 H 6.79 0.005 1 232 . 25 ARG HH22 H 6.79 0.005 1 233 . 26 PRO CD C 50.8 0.05 1 234 . 26 PRO CA C 65.0 0.05 1 235 . 26 PRO HA H 4.56 0.005 1 236 . 26 PRO CB C 32.2 0.05 1 237 . 26 PRO HB2 H 2.50 0.005 2 238 . 26 PRO HB3 H 2.09 0.005 2 239 . 26 PRO CG C 27.3 0.05 1 240 . 26 PRO HG2 H 2.22 0.005 2 241 . 26 PRO HG3 H 2.10 0.005 2 242 . 26 PRO HD2 H 4.02 0.005 2 243 . 26 PRO HD3 H 3.90 0.005 2 244 . 27 ASP N N 117.6 0.05 1 245 . 27 ASP H H 8.88 0.005 1 246 . 27 ASP CA C 55.9 0.05 1 247 . 27 ASP HA H 4.36 0.005 1 248 . 27 ASP CB C 38.2 0.05 1 249 . 27 ASP HB2 H 2.82 0.005 2 250 . 27 ASP HB3 H 2.70 0.005 2 251 . 28 GLU N N 123.9 0.05 1 252 . 28 GLU H H 7.59 0.005 1 253 . 28 GLU CA C 59.4 0.05 1 254 . 28 GLU HA H 3.97 0.005 1 255 . 28 GLU HB2 H 1.66 0.005 2 256 . 28 GLU HB3 H 1.50 0.005 2 257 . 28 GLU HG2 H 2.06 0.005 1 258 . 28 GLU HG3 H 2.06 0.005 1 259 . 29 TYR N N 118.8 0.05 1 260 . 29 TYR H H 7.14 0.005 1 261 . 29 TYR CA C 62.0 0.05 1 262 . 29 TYR HA H 4.06 0.005 1 263 . 29 TYR CB C 38.0 0.05 1 264 . 29 TYR HB2 H 3.29 0.005 1 265 . 29 TYR HB3 H 3.29 0.005 1 266 . 29 TYR HD1 H 7.45 0.005 1 267 . 29 TYR HD2 H 7.45 0.005 1 268 . 29 TYR HE1 H 6.99 0.005 1 269 . 29 TYR HE2 H 6.99 0.005 1 270 . 29 TYR CD1 C 133.6 0.05 1 271 . 29 TYR CE1 C 119.0 0.05 1 272 . 30 ARG N N 121.5 0.05 1 273 . 30 ARG H H 8.19 0.005 1 274 . 30 ARG CA C 58.9 0.05 1 275 . 30 ARG HA H 4.02 0.005 1 276 . 30 ARG CB C 29.4 0.05 1 277 . 30 ARG HB2 H 1.99 0.005 2 278 . 30 ARG HB3 H 1.95 0.005 2 279 . 30 ARG CG C 27.0 0.05 1 280 . 30 ARG HG2 H 1.78 0.005 2 281 . 30 ARG HG3 H 1.63 0.005 2 282 . 30 ARG CD C 42.9 0.05 1 283 . 30 ARG HD2 H 3.24 0.005 1 284 . 30 ARG HD3 H 3.24 0.005 1 285 . 30 ARG NE N 86.3 0.05 1 286 . 30 ARG HE H 7.46 0.005 1 287 . 31 TRP N N 122.0 0.05 1 288 . 31 TRP H H 8.21 0.005 1 289 . 31 TRP CA C 62.4 0.05 1 290 . 31 TRP HA H 4.02 0.005 1 291 . 31 TRP CB C 29.1 0.05 1 292 . 31 TRP HB2 H 3.38 0.005 1 293 . 31 TRP HB3 H 3.38 0.005 1 294 . 31 TRP CD1 C 127.1 0.05 1 295 . 31 TRP CE3 C 119.0 0.05 1 296 . 31 TRP NE1 N 130.0 0.05 1 297 . 31 TRP HD1 H 7.30 0.005 1 298 . 31 TRP HE3 H 7.41 0.005 1 299 . 31 TRP CZ3 C 120.6 0.05 1 300 . 31 TRP CZ2 C 114.5 0.05 1 301 . 31 TRP HE1 H 10.07 0.005 1 302 . 31 TRP HZ3 H 6.92 0.005 1 303 . 31 TRP CH2 C 124.6 0.05 1 304 . 31 TRP HZ2 H 7.47 0.005 1 305 . 31 TRP HH2 H 7.17 0.005 1 306 . 32 TRP N N 122.3 0.05 1 307 . 32 TRP H H 8.85 0.005 1 308 . 32 TRP CA C 58.7 0.05 1 309 . 32 TRP HA H 4.67 0.005 1 310 . 32 TRP CB C 28.9 0.05 1 311 . 32 TRP HB2 H 3.19 0.005 1 312 . 32 TRP HB3 H 3.19 0.005 1 313 . 32 TRP CD1 C 129.5 0.05 1 314 . 32 TRP CE3 C 120.6 0.05 1 315 . 32 TRP NE1 N 139.2 0.05 1 316 . 32 TRP HD1 H 5.94 0.005 1 317 . 32 TRP HE3 H 7.41 0.005 1 318 . 32 TRP CZ3 C 120.6 0.05 1 319 . 32 TRP CZ2 C 115.7 0.05 1 320 . 32 TRP HE1 H 10.49 0.005 1 321 . 32 TRP HZ3 H 6.62 0.005 1 322 . 32 TRP CH2 C 124.6 0.05 1 323 . 32 TRP HZ2 H 7.56 0.005 1 324 . 32 TRP HH2 H 7.12 0.005 1 325 . 33 SER N N 114.9 0.05 1 326 . 33 SER H H 8.33 0.005 1 327 . 33 SER CA C 61.7 0.05 1 328 . 33 SER HA H 3.92 0.005 1 329 . 33 SER CB C 57.8 0.05 1 330 . 33 SER HB2 H 3.81 0.005 1 331 . 33 SER HB3 H 3.81 0.005 1 332 . 34 GLU N N 118.9 0.05 1 333 . 34 GLU H H 7.36 0.005 1 334 . 34 GLU CA C 56.4 0.05 1 335 . 34 GLU HA H 4.09 0.005 1 336 . 34 GLU CB C 29.1 0.05 1 337 . 34 GLU HB2 H 1.83 0.005 1 338 . 34 GLU HB3 H 1.83 0.005 1 339 . 34 GLU CG C 33.6 0.05 1 340 . 34 GLU HG2 H 2.44 0.005 2 341 . 34 GLU HG3 H 2.32 0.005 2 342 . 35 ASN N N 117.3 0.05 1 343 . 35 ASN H H 7.31 0.005 1 344 . 35 ASN HB2 H 2.02 0.005 2 345 . 35 ASN HB3 H 1.80 0.005 2 346 . 35 ASN ND2 N 115.7 0.05 1 347 . 35 ASN HD21 H 7.28 0.005 2 348 . 35 ASN HD22 H 6.41 0.005 2 349 . 36 SER N N 118.2 0.05 1 350 . 36 SER H H 7.79 0.005 1 351 . 37 ALA N N 124.1 0.05 1 352 . 37 ALA H H 7.85 0.005 1 353 . 37 ALA CA C 53.1 0.05 1 354 . 37 ALA HA H 4.13 0.005 1 355 . 37 ALA HB H 1.25 0.005 1 356 . 37 ALA CB C 18.1 0.05 1 357 . 38 ARG N N 116.6 0.05 1 358 . 38 ARG H H 7.60 0.005 1 359 . 38 ARG CA C 55.7 0.05 1 360 . 38 ARG HA H 4.07 0.005 1 361 . 38 ARG CB C 29.8 0.05 1 362 . 38 ARG HB2 H 1.49 0.005 1 363 . 38 ARG HB3 H 1.49 0.005 1 364 . 38 ARG CG C 27.2 0.05 1 365 . 38 ARG HG2 H 1.41 0.005 2 366 . 38 ARG HG3 H 1.30 0.005 2 367 . 38 ARG CD C 43.1 0.05 1 368 . 38 ARG HD2 H 3.09 0.005 1 369 . 38 ARG HD3 H 3.09 0.005 1 370 . 38 ARG NE N 86.2 0.05 1 371 . 38 ARG HE H 7.07 0.005 1 372 . 39 TYR N N 120.8 0.05 1 373 . 39 TYR H H 7.41 0.005 1 374 . 39 TYR CA C 55.2 0.05 1 375 . 39 TYR HA H 4.68 0.005 1 376 . 39 TYR CB C 43.2 0.05 1 377 . 39 TYR HB2 H 3.22 0.005 1 378 . 39 TYR HB3 H 3.22 0.005 1 379 . 40 PRO CD C 50.1 0.05 1 380 . 40 PRO CA C 62.7 0.05 1 381 . 40 PRO HA H 4.25 0.005 1 382 . 40 PRO CB C 32.4 0.05 1 383 . 40 PRO HB2 H 1.87 0.005 2 384 . 40 PRO HB3 H 1.64 0.005 2 385 . 40 PRO CG C 27.0 0.05 1 386 . 40 PRO HG2 H 1.38 0.005 2 387 . 40 PRO HG3 H 1.22 0.005 2 388 . 40 PRO HD2 H 3.69 0.005 2 389 . 40 PRO HD3 H 3.35 0.005 2 390 . 41 ASN N N 117.5 0.05 1 391 . 41 ASN H H 8.08 0.005 1 392 . 41 ASN CA C 51.3 0.05 1 393 . 41 ASN HA H 4.83 0.005 1 394 . 41 ASN CB C 37.8 0.05 1 395 . 41 ASN HB2 H 3.27 0.005 2 396 . 41 ASN HB3 H 2.86 0.005 2 397 . 41 ASN ND2 N 111.4 0.05 1 398 . 41 ASN HD21 H 7.42 0.005 2 399 . 41 ASN HD22 H 6.73 0.005 2 400 . 42 ARG N N 115.1 0.05 1 401 . 42 ARG H H 7.28 0.005 1 402 . 42 ARG CA C 53.8 0.05 1 403 . 42 ARG HA H 4.73 0.005 1 404 . 42 ARG CB C 33.8 0.05 1 405 . 42 ARG HB2 H 1.64 0.005 2 406 . 42 ARG HB3 H 1.57 0.005 2 407 . 42 ARG CG C 24.0 0.05 1 408 . 42 ARG HG2 H 1.50 0.005 2 409 . 42 ARG HG3 H 1.47 0.005 2 410 . 42 ARG CD C 44.3 0.05 1 411 . 42 ARG HD2 H 3.15 0.005 2 412 . 42 ARG HD3 H 3.10 0.005 2 413 . 42 ARG NE N 85.8 0.05 1 414 . 42 ARG HE H 7.13 0.005 1 415 . 42 ARG NH1 N 72.0 0.05 1 416 . 42 ARG HH11 H 6.39 0.005 1 417 . 42 ARG HH12 H 6.39 0.005 1 418 . 42 ARG NH2 N 72.0 0.05 1 419 . 42 ARG HH21 H 6.96 0.005 1 420 . 42 ARG HH22 H 6.96 0.005 1 421 . 43 VAL N N 115.6 0.05 1 422 . 43 VAL H H 9.10 0.005 1 423 . 43 VAL CA C 58.9 0.05 1 424 . 43 VAL HA H 4.88 0.005 1 425 . 43 VAL CB C 33.7 0.05 1 426 . 43 VAL HB H 2.76 0.005 1 427 . 43 VAL HG1 H 1.15 0.005 2 428 . 43 VAL HG2 H 0.89 0.005 2 429 . 43 VAL CG1 C 24.1 0.05 1 430 . 43 VAL CG2 C 18.4 0.05 1 431 . 44 TYR N N 120.6 0.05 1 432 . 44 TYR H H 8.44 0.005 1 433 . 44 TYR CA C 56.1 0.05 1 434 . 44 TYR HA H 5.33 0.005 1 435 . 44 TYR CB C 42.4 0.05 1 436 . 44 TYR HB2 H 2.51 0.005 2 437 . 44 TYR HB3 H 2.48 0.005 2 438 . 44 TYR HD1 H 6.80 0.005 1 439 . 44 TYR HD2 H 6.80 0.005 1 440 . 44 TYR HE1 H 6.51 0.005 1 441 . 44 TYR HE2 H 6.51 0.005 1 442 . 44 TYR CD1 C 132.4 0.05 1 443 . 44 TYR CE1 C 117.7 0.05 1 444 . 45 TYR N N 113.0 0.05 1 445 . 45 TYR H H 8.45 0.005 1 446 . 45 TYR CA C 55.0 0.05 1 447 . 45 TYR HA H 4.54 0.005 1 448 . 45 TYR CB C 40.1 0.05 1 449 . 45 TYR HB2 H 2.71 0.005 2 450 . 45 TYR HB3 H 2.46 0.005 2 451 . 45 TYR HD1 H 6.93 0.005 1 452 . 45 TYR HD2 H 6.93 0.005 1 453 . 45 TYR HE1 H 6.55 0.005 1 454 . 45 TYR HE2 H 6.55 0.005 1 455 . 45 TYR CD1 C 134.4 0.05 1 456 . 45 TYR CE1 C 117.7 0.05 1 457 . 46 ARG N N 120.4 0.05 1 458 . 46 ARG H H 7.80 0.005 1 459 . 46 ARG CA C 54.1 0.05 1 460 . 46 ARG HA H 4.25 0.005 1 461 . 46 ARG CB C 31.0 0.05 1 462 . 46 ARG HB2 H 1.14 0.005 2 463 . 46 ARG HB3 H 1.09 0.005 2 464 . 46 ARG CG C 26.3 0.05 1 465 . 46 ARG HG2 H 1.04 0.005 2 466 . 46 ARG HG3 H 1.02 0.005 2 467 . 46 ARG CD C 42.6 0.05 1 468 . 46 ARG HD2 H 2.87 0.005 2 469 . 46 ARG HD3 H 2.76 0.005 2 470 . 46 ARG NE N 86.0 0.05 1 471 . 46 ARG HE H 6.85 0.005 1 472 . 46 ARG HH11 H 6.61 0.005 1 473 . 46 ARG HH12 H 6.61 0.005 1 474 . 47 ASP N N 119.9 0.05 1 475 . 47 ASP H H 7.79 0.005 1 476 . 47 ASP CA C 51.5 0.05 1 477 . 47 ASP HA H 5.01 0.005 1 478 . 47 ASP CB C 38.5 0.05 1 479 . 47 ASP HB2 H 2.83 0.005 2 480 . 47 ASP HB3 H 2.47 0.005 2 481 . 48 TYR N N 122.8 0.05 1 482 . 48 TYR H H 8.13 0.005 1 483 . 48 TYR CA C 58.0 0.05 1 484 . 48 TYR HA H 4.64 0.005 1 485 . 48 TYR CB C 41.1 0.05 1 486 . 48 TYR HB2 H 3.49 0.005 2 487 . 48 TYR HB3 H 3.01 0.005 2 488 . 48 TYR HD1 H 7.28 0.005 1 489 . 48 TYR HD2 H 7.28 0.005 1 490 . 48 TYR HE1 H 6.80 0.005 1 491 . 48 TYR HE2 H 6.80 0.005 1 492 . 48 TYR CD1 C 134.0 0.05 1 493 . 48 TYR CE1 C 118.1 0.05 1 494 . 49 SER N N 118.4 0.05 1 495 . 49 SER H H 9.07 0.005 1 496 . 49 SER CA C 58.9 0.05 1 497 . 49 SER HA H 4.46 0.005 1 498 . 49 SER CB C 63.1 0.05 1 499 . 49 SER HB2 H 4.05 0.005 2 500 . 49 SER HB3 H 3.95 0.005 2 501 . 50 SER N N 118.1 0.05 1 502 . 50 SER H H 7.76 0.005 1 503 . 50 SER CA C 55.9 0.05 1 504 . 50 SER HA H 4.93 0.005 1 505 . 50 SER CB C 63.4 0.05 1 506 . 50 SER HB2 H 3.90 0.005 2 507 . 50 SER HB3 H 3.84 0.005 2 508 . 51 PRO CD C 50.6 0.05 1 509 . 51 PRO CA C 63.4 0.05 1 510 . 51 PRO HA H 4.54 0.005 1 511 . 51 PRO CB C 31.5 0.05 1 512 . 51 PRO HB2 H 2.29 0.005 2 513 . 51 PRO HB3 H 1.84 0.005 2 514 . 51 PRO CG C 27.3 0.05 1 515 . 51 PRO HG2 H 2.11 0.005 2 516 . 51 PRO HG3 H 1.95 0.005 2 517 . 51 PRO HD2 H 3.84 0.005 2 518 . 51 PRO HD3 H 3.65 0.005 2 519 . 52 VAL N N 119.9 0.05 1 520 . 52 VAL H H 7.94 0.005 1 521 . 52 VAL CA C 57.1 0.05 1 522 . 52 VAL HA H 4.88 0.005 1 523 . 52 VAL CB C 33.1 0.05 1 524 . 52 VAL HB H 1.86 0.005 1 525 . 52 VAL HG1 H 0.74 0.005 2 526 . 52 VAL HG2 H 0.49 0.005 2 527 . 52 VAL CG1 C 20.8 0.05 1 528 . 52 VAL CG2 C 17.7 0.05 1 529 . 53 PRO CD C 50.8 0.05 1 530 . 53 PRO CA C 61.5 0.05 1 531 . 53 PRO HA H 4.62 0.005 1 532 . 53 PRO CB C 32.6 0.05 1 533 . 53 PRO HB2 H 2.42 0.005 2 534 . 53 PRO HB3 H 2.02 0.005 2 535 . 53 PRO CG C 27.3 0.05 1 536 . 53 PRO HG2 H 2.03 0.005 1 537 . 53 PRO HG3 H 2.03 0.005 1 538 . 53 PRO HD2 H 3.87 0.005 2 539 . 53 PRO HD3 H 3.50 0.005 2 540 . 54 GLN N N 124.2 0.05 1 541 . 54 GLN H H 8.71 0.005 1 542 . 54 GLN CA C 58.5 0.05 1 543 . 54 GLN HA H 4.64 0.005 1 544 . 54 GLN CB C 29.6 0.05 1 545 . 54 GLN HB2 H 2.26 0.005 1 546 . 54 GLN HB3 H 2.26 0.005 1 547 . 54 GLN CG C 33.6 0.05 1 548 . 54 GLN HG2 H 1.91 0.005 2 549 . 54 GLN HG3 H 1.42 0.005 2 550 . 54 GLN NE2 N 114.2 0.05 1 551 . 54 GLN HE21 H 7.44 0.005 2 552 . 54 GLN HE22 H 6.89 0.005 2 553 . 55 ASP N N 115.6 0.05 1 554 . 55 ASP H H 8.69 0.005 1 555 . 55 ASP CA C 56.6 0.05 1 556 . 55 ASP HA H 4.16 0.005 1 557 . 55 ASP CB C 38.2 0.05 1 558 . 55 ASP HB2 H 2.69 0.005 2 559 . 55 ASP HB3 H 2.58 0.005 2 560 . 56 VAL N N 123.1 0.05 1 561 . 56 VAL H H 6.90 0.005 1 562 . 56 VAL CA C 65.0 0.05 1 563 . 56 VAL HA H 3.71 0.005 1 564 . 56 VAL CB C 32.4 0.05 1 565 . 56 VAL HB H 1.86 0.005 1 566 . 56 VAL HG1 H 1.00 0.005 2 567 . 56 VAL HG2 H 0.93 0.005 2 568 . 56 VAL CG1 C 21.7 0.05 1 569 . 56 VAL CG2 C 20.1 0.05 1 570 . 57 PHE N N 120.7 0.05 1 571 . 57 PHE H H 7.51 0.005 1 572 . 57 PHE CA C 60.3 0.05 1 573 . 57 PHE HA H 4.35 0.005 1 574 . 57 PHE CB C 40.1 0.05 1 575 . 57 PHE HB2 H 3.07 0.005 2 576 . 57 PHE HB3 H 2.79 0.005 2 577 . 57 PHE HD1 H 7.04 0.005 1 578 . 57 PHE HD2 H 7.04 0.005 1 579 . 57 PHE HE1 H 6.42 0.005 1 580 . 57 PHE HE2 H 6.42 0.005 1 581 . 57 PHE CD1 C 132.8 0.05 1 582 . 57 PHE CE1 C 129.5 0.05 1 583 . 57 PHE HZ H 6.92 0.005 1 584 . 58 VAL N N 119.7 0.05 1 585 . 58 VAL H H 9.21 0.005 1 586 . 58 VAL CA C 67.1 0.05 1 587 . 58 VAL HA H 3.60 0.005 1 588 . 58 VAL CB C 31.5 0.05 1 589 . 58 VAL HB H 2.13 0.005 1 590 . 58 VAL HG1 H 1.08 0.005 2 591 . 58 VAL HG2 H 1.01 0.005 2 592 . 58 VAL CG1 C 24.3 0.05 1 593 . 58 VAL CG2 C 20.5 0.05 1 594 . 59 ALA N N 124.2 0.05 1 595 . 59 ALA H H 7.67 0.005 1 596 . 59 ALA CA C 55.2 0.05 1 597 . 59 ALA HA H 4.19 0.005 1 598 . 59 ALA HB H 1.55 0.005 1 599 . 59 ALA CB C 17.8 0.05 1 600 . 60 ASP N N 119.7 0.05 1 601 . 60 ASP H H 7.97 0.005 1 602 . 60 ASP CA C 56.8 0.05 1 603 . 60 ASP HA H 4.56 0.005 1 604 . 60 ASP CB C 39.9 0.05 1 605 . 60 ASP HB2 H 2.94 0.005 2 606 . 60 ASP HB3 H 2.52 0.005 2 607 . 61 CYS N N 121.9 0.05 1 608 . 61 CYS H H 8.62 0.005 1 609 . 61 CYS CA C 58.0 0.05 1 610 . 61 CYS HA H 4.61 0.005 1 611 . 61 CYS CB C 39.6 0.05 1 612 . 61 CYS HB2 H 3.44 0.005 2 613 . 61 CYS HB3 H 2.96 0.005 2 614 . 62 PHE N N 127.1 0.05 1 615 . 62 PHE H H 9.48 0.005 1 616 . 62 PHE CA C 62.0 0.05 1 617 . 62 PHE HA H 3.93 0.005 1 618 . 62 PHE CB C 39.6 0.05 1 619 . 62 PHE HB2 H 3.38 0.005 2 620 . 62 PHE HB3 H 3.06 0.005 2 621 . 62 PHE HD1 H 7.11 0.005 1 622 . 62 PHE HD2 H 7.11 0.005 1 623 . 62 PHE HE1 H 7.54 0.005 1 624 . 62 PHE HE2 H 7.54 0.005 1 625 . 62 PHE CD1 C 132.0 0.05 1 626 . 62 PHE CE1 C 131.5 0.05 1 627 . 62 PHE CZ C 129.5 0.05 1 628 . 62 PHE HZ H 7.28 0.005 1 629 . 63 ASN N N 118.3 0.05 1 630 . 63 ASN H H 8.25 0.005 1 631 . 63 ASN CA C 55.9 0.05 1 632 . 63 ASN HA H 4.36 0.005 1 633 . 63 ASN CB C 38.2 0.05 1 634 . 63 ASN HB2 H 3.03 0.005 2 635 . 63 ASN HB3 H 2.86 0.005 2 636 . 63 ASN ND2 N 114.8 0.05 1 637 . 63 ASN HD21 H 7.83 0.005 2 638 . 63 ASN HD22 H 6.96 0.005 2 639 . 64 ILE N N 122.3 0.05 1 640 . 64 ILE H H 8.84 0.005 1 641 . 64 ILE CA C 63.1 0.05 1 642 . 64 ILE HA H 3.62 0.005 1 643 . 64 ILE CB C 37.8 0.05 1 644 . 64 ILE HB H 1.43 0.005 1 645 . 64 ILE HG2 H 0.27 0.005 1 646 . 64 ILE CG2 C 18.4 0.05 1 647 . 64 ILE CG1 C 28.2 0.05 1 648 . 64 ILE HG12 H 1.25 0.005 2 649 . 64 ILE HG13 H 0.38 0.005 2 650 . 64 ILE HD1 H 0.33 0.005 1 651 . 64 ILE CD1 C 13.5 0.05 1 652 . 65 THR N N 120.1 0.05 1 653 . 65 THR H H 8.41 0.005 1 654 . 65 THR CA C 69.2 0.05 1 655 . 65 THR HA H 3.80 0.005 1 656 . 65 THR CB C 67.6 0.05 1 657 . 65 THR HB H 4.33 0.005 1 658 . 65 THR HG2 H 1.46 0.005 1 659 . 65 THR HG1 H 5.91 0.005 1 660 . 65 THR CG2 C 22.6 0.05 1 661 . 66 VAL N N 117.5 0.05 1 662 . 66 VAL H H 8.53 0.005 1 663 . 66 VAL CA C 65.9 0.05 1 664 . 66 VAL HA H 3.72 0.005 1 665 . 66 VAL CB C 29.8 0.05 1 666 . 66 VAL HB H 2.21 0.005 1 667 . 66 VAL HG1 H 0.75 0.005 2 668 . 66 VAL HG2 H 0.54 0.005 2 669 . 66 VAL CG1 C 19.8 0.05 1 670 . 66 VAL CG2 C 21.0 0.05 1 671 . 67 THR N N 117.7 0.05 1 672 . 67 THR H H 7.36 0.005 1 673 . 67 THR CA C 66.2 0.05 1 674 . 67 THR HA H 3.88 0.005 1 675 . 67 THR CB C 68.0 0.05 1 676 . 67 THR HB H 4.18 0.005 1 677 . 67 THR HG2 H 1.13 0.005 1 678 . 67 THR CG2 C 20.8 0.05 1 679 . 68 GLU N N 123.2 0.05 1 680 . 68 GLU H H 8.43 0.005 1 681 . 68 GLU HA H 4.21 0.005 1 682 . 68 GLU HB2 H 1.90 0.005 2 683 . 68 GLU HB3 H 1.54 0.005 2 684 . 68 GLU HG2 H 2.16 0.005 1 685 . 68 GLU HG3 H 2.16 0.005 1 686 . 69 TYR N N 116.3 0.05 1 687 . 69 TYR H H 7.72 0.005 1 688 . 69 TYR CA C 57.8 0.05 1 689 . 69 TYR HA H 4.66 0.005 1 690 . 69 TYR CB C 38.5 0.05 1 691 . 69 TYR HB2 H 3.35 0.005 2 692 . 69 TYR HB3 H 2.73 0.005 2 693 . 69 TYR HD1 H 7.36 0.005 1 694 . 69 TYR HD2 H 7.36 0.005 1 695 . 69 TYR HE1 H 6.99 0.005 1 696 . 69 TYR HE2 H 6.99 0.005 1 697 . 69 TYR CD1 C 132.8 0.05 1 698 . 69 TYR CE1 C 118.1 0.05 1 699 . 70 SER N N 117.0 0.05 1 700 . 70 SER H H 7.75 0.005 1 701 . 70 SER CA C 58.7 0.05 1 702 . 70 SER HA H 3.98 0.005 1 703 . 70 SER CB C 61.3 0.05 1 704 . 70 SER HB2 H 4.03 0.005 1 705 . 70 SER HB3 H 4.03 0.005 1 706 . 71 ILE N N 116.6 0.05 1 707 . 71 ILE H H 7.84 0.005 1 708 . 71 ILE CA C 59.2 0.05 1 709 . 71 ILE HA H 4.59 0.005 1 710 . 71 ILE CB C 40.5 0.05 1 711 . 71 ILE HB H 1.96 0.005 1 712 . 71 ILE HG2 H 0.98 0.005 1 713 . 71 ILE CG2 C 17.0 0.05 1 714 . 71 ILE CG1 C 26.3 0.05 1 715 . 71 ILE HG12 H 1.43 0.005 2 716 . 71 ILE HG13 H 1.23 0.005 2 717 . 71 ILE HD1 H 0.87 0.005 1 718 . 71 ILE CD1 C 13.6 0.05 1 719 . 72 GLY N N 114.0 0.05 1 720 . 72 GLY H H 8.96 0.005 1 721 . 72 GLY CA C 44.5 0.05 1 722 . 72 GLY HA2 H 4.00 0.005 2 723 . 72 GLY HA3 H 3.86 0.005 2 724 . 73 PRO CD C 49.9 0.05 1 725 . 73 PRO CA C 63.6 0.05 1 726 . 73 PRO HA H 4.40 0.005 1 727 . 73 PRO CB C 31.7 0.05 1 728 . 73 PRO HB2 H 2.34 0.005 2 729 . 73 PRO HB3 H 2.03 0.005 2 730 . 73 PRO CG C 26.8 0.05 1 731 . 73 PRO HG2 H 2.15 0.005 2 732 . 73 PRO HG3 H 2.08 0.005 2 733 . 73 PRO HD2 H 3.81 0.005 2 734 . 73 PRO HD3 H 3.74 0.005 2 735 . 74 ALA N N 123.4 0.05 1 736 . 74 ALA H H 7.87 0.005 1 737 . 74 ALA CA C 51.8 0.05 1 738 . 74 ALA HA H 4.32 0.005 1 739 . 74 ALA HB H 1.36 0.005 1 740 . 74 ALA CB C 18.9 0.05 1 741 . 75 ALA N N 123.6 0.05 1 742 . 75 ALA H H 7.56 0.005 1 743 . 75 ALA CA C 52.2 0.05 1 744 . 75 ALA HA H 4.12 0.005 1 745 . 75 ALA HB H 1.36 0.005 1 746 . 75 ALA CB C 18.9 0.05 1 747 . 76 LYS N N 122.8 0.05 1 748 . 76 LYS H H 8.24 0.005 1 749 . 76 LYS CA C 55.9 0.05 1 750 . 76 LYS HA H 4.23 0.005 1 751 . 76 LYS CB C 32.7 0.05 1 752 . 76 LYS HB2 H 1.80 0.005 2 753 . 76 LYS HB3 H 1.74 0.005 2 754 . 76 LYS CG C 24.5 0.05 1 755 . 76 LYS HG2 H 1.48 0.005 2 756 . 76 LYS HG3 H 1.42 0.005 2 757 . 76 LYS CD C 28.7 0.05 1 758 . 76 LYS HD2 H 1.67 0.005 1 759 . 76 LYS HD3 H 1.67 0.005 1 760 . 76 LYS CE C 42.2 0.05 1 761 . 76 LYS HE2 H 3.00 0.005 1 762 . 76 LYS HE3 H 3.00 0.005 1 763 . 77 LYS N N 124.4 0.05 1 764 . 77 LYS H H 8.36 0.005 1 765 . 77 LYS CA C 55.9 0.05 1 766 . 77 LYS HA H 4.27 0.005 1 767 . 77 LYS CB C 32.6 0.05 1 768 . 77 LYS HB2 H 1.80 0.005 2 769 . 77 LYS HB3 H 1.75 0.005 2 770 . 77 LYS CG C 24.5 0.05 1 771 . 77 LYS HG2 H 1.43 0.005 2 772 . 77 LYS HG3 H 1.39 0.005 2 773 . 77 LYS CD C 28.9 0.05 1 774 . 77 LYS HD2 H 1.67 0.005 1 775 . 77 LYS HD3 H 1.67 0.005 1 776 . 77 LYS CE C 42.2 0.05 1 777 . 77 LYS HE2 H 2.98 0.005 1 778 . 77 LYS HE3 H 2.98 0.005 1 779 . 78 ASN N N 122.0 0.05 1 780 . 78 ASN H H 8.56 0.005 1 781 . 78 ASN CA C 52.7 0.05 1 782 . 78 ASN HA H 4.76 0.005 1 783 . 78 ASN CB C 38.4 0.05 1 784 . 78 ASN HB2 H 2.86 0.005 2 785 . 78 ASN HB3 H 2.81 0.005 2 786 . 78 ASN ND2 N 114.7 0.05 1 787 . 78 ASN HD21 H 7.65 0.005 2 788 . 78 ASN HD22 H 6.95 0.005 2 789 . 79 THR N N 115.6 0.05 1 790 . 79 THR H H 8.15 0.005 1 791 . 79 THR CA C 61.5 0.05 1 792 . 79 THR HA H 4.34 0.005 1 793 . 79 THR CB C 69.2 0.05 1 794 . 79 THR HB H 4.33 0.005 1 795 . 79 THR HG2 H 1.18 0.005 1 796 . 79 THR CG2 C 21.2 0.05 1 797 . 80 SER N N 119.1 0.05 1 798 . 80 SER H H 8.36 0.005 1 799 . 80 SER CA C 58.2 0.05 1 800 . 80 SER HA H 4.43 0.005 1 801 . 80 SER CB C 62.9 0.05 1 802 . 80 SER HB2 H 3.94 0.005 2 803 . 80 SER HB3 H 3.88 0.005 2 804 . 81 GLU N N 124.2 0.05 1 805 . 81 GLU H H 8.36 0.005 1 806 . 81 GLU CA C 57.1 0.05 1 807 . 81 GLU HA H 4.07 0.005 1 808 . 81 GLU CB C 28.4 0.05 1 809 . 81 GLU HB2 H 2.07 0.005 2 810 . 81 GLU HB3 H 1.92 0.005 2 811 . 81 GLU CG C 34.3 0.05 1 812 . 81 GLU HG2 H 2.46 0.005 2 813 . 81 GLU HG3 H 2.30 0.005 2 814 . 82 ALA N N 125.9 0.05 1 815 . 82 ALA H H 8.23 0.005 1 816 . 82 ALA CA C 52.5 0.05 1 817 . 82 ALA HA H 4.25 0.005 1 818 . 82 ALA HB H 1.38 0.005 1 819 . 82 ALA CB C 18.7 0.05 1 820 . 83 VAL N N 120.6 0.05 1 821 . 83 VAL H H 7.92 0.005 1 822 . 83 VAL CA C 62.2 0.05 1 823 . 83 VAL HA H 4.01 0.005 1 824 . 83 VAL CB C 32.5 0.05 1 825 . 83 VAL HB H 2.06 0.005 1 826 . 83 VAL HG1 H 0.93 0.005 2 827 . 83 VAL HG2 H 0.94 0.005 2 828 . 83 VAL CG1 C 21.0 0.05 1 829 . 83 VAL CG2 C 20.8 0.05 1 830 . 84 ALA N N 128.5 0.05 1 831 . 84 ALA H H 8.26 0.005 1 832 . 84 ALA CA C 52.4 0.05 1 833 . 84 ALA HA H 4.26 0.005 1 834 . 84 ALA HB H 1.40 0.005 1 835 . 84 ALA CB C 18.7 0.05 1 836 . 85 ALA N N 124.7 0.05 1 837 . 85 ALA H H 8.24 0.005 1 838 . 85 ALA CA C 52.7 0.05 1 839 . 85 ALA HA H 4.24 0.005 1 840 . 85 ALA HB H 1.39 0.005 1 841 . 85 ALA CB C 18.4 0.05 1 842 . 86 ALA N N 123.8 0.05 1 843 . 86 ALA H H 8.20 0.005 1 844 . 86 ALA CA C 52.7 0.05 1 845 . 86 ALA HA H 4.21 0.005 1 846 . 86 ALA HB H 1.40 0.005 1 847 . 86 ALA CB C 18.4 0.05 1 848 . 87 ASN N N 118.8 0.05 1 849 . 87 ASN H H 8.21 0.005 1 850 . 87 ASN CA C 52.7 0.05 1 851 . 87 ASN HA H 4.74 0.005 1 852 . 87 ASN CB C 38.2 0.05 1 853 . 87 ASN HB2 H 2.94 0.005 2 854 . 87 ASN HB3 H 2.86 0.005 2 855 . 87 ASN ND2 N 114.5 0.05 1 856 . 87 ASN HD21 H 7.71 0.005 2 857 . 87 ASN HD22 H 6.99 0.005 2 858 . 88 GLN N N 123.2 0.05 1 859 . 88 GLN H H 8.41 0.005 1 860 . 88 GLN CA C 58.0 0.05 1 861 . 88 GLN HA H 4.09 0.005 1 862 . 88 GLN CB C 28.2 0.05 1 863 . 88 GLN HB2 H 2.11 0.005 1 864 . 88 GLN HB3 H 2.11 0.005 1 865 . 88 GLN CG C 33.4 0.05 1 866 . 88 GLN HG2 H 2.41 0.005 1 867 . 88 GLN HG3 H 2.41 0.005 1 868 . 88 GLN NE2 N 114.2 0.05 1 869 . 88 GLN HE21 H 7.60 0.005 2 870 . 88 GLN HE22 H 6.86 0.005 2 871 . 89 THR N N 116.6 0.05 1 872 . 89 THR H H 8.23 0.005 1 873 . 89 THR CA C 65.0 0.05 1 874 . 89 THR HA H 4.00 0.005 1 875 . 89 THR CB C 68.0 0.05 1 876 . 89 THR HB H 4.21 0.005 1 877 . 89 THR HG2 H 1.23 0.005 1 878 . 89 THR CG2 C 21.5 0.05 1 879 . 90 GLU N N 124.4 0.05 1 880 . 90 GLU H H 7.94 0.005 1 881 . 90 GLU CA C 58.5 0.05 1 882 . 90 GLU HA H 4.03 0.005 1 883 . 90 GLU HB2 H 2.18 0.005 1 884 . 90 GLU HB3 H 2.18 0.005 1 885 . 90 GLU HG2 H 2.47 0.005 1 886 . 90 GLU HG3 H 2.47 0.005 1 887 . 91 VAL N N 121.9 0.05 1 888 . 91 VAL H H 7.86 0.005 1 889 . 91 VAL CA C 65.5 0.05 1 890 . 91 VAL HA H 3.58 0.005 1 891 . 91 VAL CB C 31.5 0.05 1 892 . 91 VAL HB H 2.06 0.005 1 893 . 91 VAL HG1 H 1.01 0.005 2 894 . 91 VAL HG2 H 0.91 0.005 2 895 . 91 VAL CG1 C 22.2 0.05 1 896 . 91 VAL CG2 C 20.8 0.05 1 897 . 92 GLU N N 121.3 0.05 1 898 . 92 GLU H H 8.04 0.005 1 899 . 92 GLU CA C 58.2 0.05 1 900 . 92 GLU HA H 4.03 0.005 1 901 . 92 GLU CB C 28.0 0.05 1 902 . 92 GLU HB2 H 2.10 0.005 2 903 . 92 GLU HB3 H 2.02 0.005 2 904 . 92 GLU CG C 34.0 0.05 1 905 . 92 GLU HG2 H 2.48 0.005 2 906 . 92 GLU HG3 H 2.35 0.005 2 907 . 93 MET N N 121.3 0.05 1 908 . 93 MET H H 7.76 0.005 1 909 . 93 MET CA C 57.3 0.05 1 910 . 93 MET HA H 3.87 0.005 1 911 . 93 MET CB C 30.3 0.05 1 912 . 93 MET HB2 H 1.68 0.005 2 913 . 93 MET HB3 H 1.16 0.005 2 914 . 93 MET CG C 31.5 0.05 1 915 . 93 MET HG2 H 2.02 0.005 1 916 . 93 MET HG3 H 2.02 0.005 1 917 . 93 MET HE H 1.73 0.005 1 918 . 93 MET CE C 16.7 0.05 1 919 . 94 GLU N N 121.2 0.05 1 920 . 94 GLU H H 8.04 0.005 1 921 . 94 GLU HB2 H 1.97 0.005 1 922 . 94 GLU HB3 H 1.97 0.005 1 923 . 95 ASN N N 116.8 0.05 1 924 . 95 ASN H H 7.95 0.005 1 925 . 95 ASN CA C 55.9 0.05 1 926 . 95 ASN HA H 4.31 0.005 1 927 . 95 ASN CB C 38.2 0.05 1 928 . 95 ASN HB2 H 2.81 0.005 2 929 . 95 ASN HB3 H 2.71 0.005 2 930 . 95 ASN ND2 N 113.5 0.05 1 931 . 95 ASN HD21 H 7.56 0.005 2 932 . 95 ASN HD22 H 6.82 0.005 2 933 . 96 LYS N N 122.6 0.05 1 934 . 96 LYS H H 8.07 0.005 1 935 . 96 LYS CA C 58.9 0.05 1 936 . 96 LYS HA H 3.99 0.005 1 937 . 96 LYS CB C 32.2 0.05 1 938 . 96 LYS HB2 H 1.98 0.005 2 939 . 96 LYS HB3 H 1.78 0.005 2 940 . 96 LYS CG C 24.7 0.05 1 941 . 96 LYS HG2 H 1.51 0.005 2 942 . 96 LYS HG3 H 1.37 0.005 2 943 . 96 LYS CD C 28.7 0.05 1 944 . 96 LYS HD2 H 1.61 0.005 1 945 . 96 LYS HD3 H 1.61 0.005 1 946 . 96 LYS CE C 41.5 0.05 1 947 . 96 LYS HE2 H 2.92 0.005 1 948 . 96 LYS HE3 H 2.92 0.005 1 949 . 97 VAL N N 121.2 0.05 1 950 . 97 VAL H H 8.36 0.005 1 951 . 97 VAL CA C 66.2 0.05 1 952 . 97 VAL HA H 3.45 0.005 1 953 . 97 VAL CB C 31.2 0.05 1 954 . 97 VAL HB H 1.92 0.005 1 955 . 97 VAL HG1 H 0.74 0.005 2 956 . 97 VAL HG2 H 0.83 0.005 2 957 . 97 VAL CG1 C 23.3 0.05 1 958 . 97 VAL CG2 C 22.9 0.05 1 959 . 98 VAL N N 123.0 0.05 1 960 . 98 VAL H H 8.95 0.005 1 961 . 98 VAL CA C 66.6 0.05 1 962 . 98 VAL HA H 3.18 0.005 1 963 . 98 VAL CB C 30.8 0.05 1 964 . 98 VAL HB H 2.12 0.005 1 965 . 98 VAL HG1 H 0.83 0.005 2 966 . 98 VAL HG2 H 0.85 0.005 2 967 . 98 VAL CG1 C 21.2 0.05 1 968 . 98 VAL CG2 C 23.3 0.05 1 969 . 99 THR N N 112.9 0.05 1 970 . 99 THR H H 7.45 0.005 1 971 . 99 THR CA C 66.4 0.05 1 972 . 99 THR HA H 3.95 0.005 1 973 . 99 THR CB C 68.3 0.05 1 974 . 99 THR HB H 4.27 0.005 1 975 . 99 THR HG2 H 1.27 0.005 1 976 . 99 THR CG2 C 21.2 0.05 1 977 . 100 LYS N N 123.4 0.05 1 978 . 100 LYS H H 6.96 0.005 1 979 . 100 LYS CA C 55.7 0.05 1 980 . 100 LYS HA H 4.23 0.005 1 981 . 100 LYS CB C 32.4 0.05 1 982 . 100 LYS HB2 H 1.81 0.005 2 983 . 100 LYS HB3 H 1.75 0.005 2 984 . 100 LYS CG C 24.5 0.05 1 985 . 100 LYS HG2 H 1.44 0.005 2 986 . 100 LYS HG3 H 1.41 0.005 2 987 . 100 LYS CD C 28.7 0.05 1 988 . 100 LYS HD2 H 1.67 0.005 1 989 . 100 LYS HD3 H 1.67 0.005 1 990 . 100 LYS CE C 41.5 0.05 1 991 . 100 LYS HE2 H 2.97 0.005 1 992 . 100 LYS HE3 H 2.97 0.005 1 993 . 101 VAL H H 8.95 0.005 1 994 . 101 VAL CA C 65.9 0.05 1 995 . 101 VAL HA H 3.09 0.005 1 996 . 101 VAL CB C 31.2 0.05 1 997 . 101 VAL HB H 1.57 0.005 1 998 . 101 VAL HG1 H 0.39 0.005 2 999 . 101 VAL HG2 H -0.52 0.005 2 1000 . 101 VAL CG1 C 19.6 0.05 1 1001 . 101 VAL CG2 C 20.0 0.05 1 1002 . 102 ILE N N 119.2 0.05 1 1003 . 102 ILE H H 8.34 0.005 1 1004 . 102 ILE CA C 64.4 0.05 1 1005 . 102 ILE HA H 3.69 0.005 1 1006 . 102 ILE CB C 36.4 0.05 1 1007 . 102 ILE HB H 2.04 0.005 1 1008 . 102 ILE HG2 H 0.97 0.005 1 1009 . 102 ILE CG2 C 18.8 0.05 1 1010 . 102 ILE CG1 C 28.0 0.05 1 1011 . 102 ILE HG12 H 1.53 0.005 2 1012 . 102 ILE HG13 H 1.29 0.005 2 1013 . 102 ILE HD1 H 0.60 0.005 1 1014 . 102 ILE CD1 C 11.8 0.05 1 1015 . 103 ARG N N 120.2 0.05 1 1016 . 103 ARG H H 8.28 0.005 1 1017 . 103 ARG CA C 61.5 0.05 1 1018 . 103 ARG HA H 3.80 0.005 1 1019 . 103 ARG CB C 29.4 0.05 1 1020 . 103 ARG HB2 H 1.95 0.005 2 1021 . 103 ARG HB3 H 1.91 0.005 2 1022 . 103 ARG CG C 28.9 0.05 1 1023 . 103 ARG HG2 H 1.68 0.005 2 1024 . 103 ARG HG3 H 1.41 0.005 2 1025 . 103 ARG CD C 42.4 0.05 1 1026 . 103 ARG HD2 H 2.97 0.005 1 1027 . 103 ARG HD3 H 2.97 0.005 1 1028 . 103 ARG NE N 85.5 0.05 1 1029 . 103 ARG HE H 6.94 0.005 1 1030 . 104 GLU N N 119.0 0.05 1 1031 . 104 GLU H H 8.39 0.005 1 1032 . 104 GLU CA C 57.8 0.05 1 1033 . 104 GLU HA H 4.08 0.005 1 1034 . 104 GLU CG C 33.3 0.05 1 1035 . 104 GLU HG2 H 2.42 0.005 1 1036 . 104 GLU HG3 H 2.42 0.005 1 1037 . 105 MET N N 120.4 0.05 1 1038 . 105 MET H H 8.74 0.005 1 1039 . 105 MET CA C 60.6 0.05 1 1040 . 105 MET HA H 4.17 0.005 1 1041 . 105 MET CB C 35.2 0.05 1 1042 . 105 MET HB2 H 2.51 0.005 2 1043 . 105 MET HB3 H 2.12 0.005 2 1044 . 105 MET CG C 34.0 0.05 1 1045 . 105 MET HG2 H 2.50 0.005 2 1046 . 105 MET HG3 H 1.88 0.005 2 1047 . 105 MET HE H 1.98 0.005 1 1048 . 105 MET CE C 16.3 0.05 1 1049 . 106 CYS N N 120.2 0.05 1 1050 . 106 CYS H H 8.91 0.005 1 1051 . 106 CYS CA C 58.7 0.05 1 1052 . 106 CYS HA H 4.55 0.005 1 1053 . 106 CYS CB C 40.5 0.05 1 1054 . 106 CYS HB2 H 3.72 0.005 2 1055 . 106 CYS HB3 H 3.04 0.005 2 1056 . 107 VAL N N 124.4 0.05 1 1057 . 107 VAL H H 8.61 0.005 1 1058 . 107 VAL CA C 66.9 0.05 1 1059 . 107 VAL HA H 3.51 0.005 1 1060 . 107 VAL CB C 31.5 0.05 1 1061 . 107 VAL HB H 2.28 0.005 1 1062 . 107 VAL HG1 H 1.11 0.005 2 1063 . 107 VAL HG2 H 0.92 0.005 2 1064 . 107 VAL CG1 C 23.3 0.05 1 1065 . 107 VAL CG2 C 21.0 0.05 1 1066 . 108 GLN N N 121.5 0.05 1 1067 . 108 GLN H H 7.90 0.005 1 1068 . 108 GLN CA C 58.2 0.05 1 1069 . 108 GLN HA H 3.99 0.005 1 1070 . 108 GLN CB C 26.8 0.05 1 1071 . 108 GLN HB2 H 2.20 0.005 1 1072 . 108 GLN HB3 H 2.20 0.005 1 1073 . 108 GLN CG C 32.6 0.05 1 1074 . 108 GLN HG2 H 2.57 0.005 2 1075 . 108 GLN HG3 H 2.32 0.005 2 1076 . 108 GLN NE2 N 116.4 0.05 1 1077 . 108 GLN HE21 H 8.19 0.005 2 1078 . 108 GLN HE22 H 6.94 0.005 2 1079 . 109 GLN N N 121.8 0.05 1 1080 . 109 GLN H H 8.94 0.005 1 1081 . 109 GLN CA C 57.3 0.05 1 1082 . 109 GLN HA H 3.80 0.005 1 1083 . 109 GLN CB C 28.4 0.05 1 1084 . 109 GLN HB2 H 2.33 0.005 1 1085 . 109 GLN HB3 H 2.33 0.005 1 1086 . 109 GLN CG C 34.7 0.05 1 1087 . 109 GLN HG2 H 2.08 0.005 1 1088 . 109 GLN HG3 H 2.08 0.005 1 1089 . 110 TYR N N 123.1 0.05 1 1090 . 110 TYR H H 8.28 0.005 1 1091 . 110 TYR CA C 60.6 0.05 1 1092 . 110 TYR HA H 2.92 0.005 1 1093 . 110 TYR CB C 36.6 0.05 1 1094 . 110 TYR HB2 H 3.10 0.005 2 1095 . 110 TYR HB3 H 2.73 0.005 2 1096 . 110 TYR HD1 H 6.48 0.005 1 1097 . 110 TYR HD2 H 6.48 0.005 1 1098 . 110 TYR HE1 H 6.80 0.005 1 1099 . 110 TYR HE2 H 6.80 0.005 1 1100 . 110 TYR CD1 C 132.8 0.05 1 1101 . 110 TYR CE1 C 118.5 0.05 1 1102 . 111 ARG N N 118.8 0.05 1 1103 . 111 ARG H H 7.70 0.005 1 1104 . 111 ARG CA C 58.5 0.05 1 1105 . 111 ARG HA H 3.65 0.005 1 1106 . 111 ARG CB C 29.4 0.05 1 1107 . 111 ARG HB2 H 1.99 0.005 2 1108 . 111 ARG HB3 H 1.89 0.005 2 1109 . 111 ARG CG C 27.5 0.05 1 1110 . 111 ARG HG2 H 1.93 0.005 2 1111 . 111 ARG HG3 H 1.66 0.005 2 1112 . 111 ARG CD C 43.2 0.05 1 1113 . 111 ARG HD2 H 3.16 0.005 1 1114 . 111 ARG HD3 H 3.16 0.005 1 1115 . 111 ARG NE N 86.6 0.05 1 1116 . 111 ARG HE H 7.25 0.005 1 1117 . 112 GLU N N 118.6 0.05 1 1118 . 112 GLU H H 7.40 0.005 1 1119 . 112 GLU CA C 58.7 0.05 1 1120 . 112 GLU HA H 4.01 0.005 1 1121 . 112 GLU CB C 32.4 0.05 1 1122 . 112 GLU HB2 H 1.87 0.005 2 1123 . 112 GLU HB3 H 1.78 0.005 2 1124 . 112 GLU CG C 32.6 0.05 1 1125 . 112 GLU HG2 H 2.00 0.005 1 1126 . 112 GLU HG3 H 2.00 0.005 1 1127 . 113 TYR N N 125.3 0.05 1 1128 . 113 TYR H H 8.08 0.005 1 1129 . 113 TYR CA C 59.2 0.05 1 1130 . 113 TYR HA H 4.27 0.005 1 1131 . 113 TYR CB C 38.3 0.05 1 1132 . 113 TYR HB2 H 2.90 0.005 2 1133 . 113 TYR HB3 H 2.69 0.005 2 1134 . 113 TYR HD1 H 6.99 0.005 1 1135 . 113 TYR HD2 H 6.99 0.005 1 1136 . 113 TYR HE1 H 7.08 0.005 1 1137 . 113 TYR HE2 H 7.08 0.005 1 1138 . 113 TYR CD1 C 133.6 0.05 1 1139 . 113 TYR CE1 C 118.1 0.05 1 1140 . 114 ARG N N 122.2 0.05 1 1141 . 114 ARG H H 7.97 0.005 1 1142 . 114 ARG CA C 55.7 0.05 1 1143 . 114 ARG HA H 3.82 0.005 1 1144 . 114 ARG CB C 29.1 0.05 1 1145 . 114 ARG HB2 H 1.52 0.005 2 1146 . 114 ARG HB3 H 1.41 0.005 2 1147 . 114 ARG CG C 26.1 0.05 1 1148 . 114 ARG HG2 H 1.18 0.005 1 1149 . 114 ARG HG3 H 1.18 0.005 1 1150 . 114 ARG CD C 42.2 0.05 1 1151 . 114 ARG HD2 H 2.99 0.005 1 1152 . 114 ARG HD3 H 2.99 0.005 1 1153 . 114 ARG NE N 85.7 0.05 1 1154 . 114 ARG HE H 7.16 0.005 1 1155 . 115 LEU N N 122.3 0.05 1 1156 . 115 LEU H H 7.39 0.005 1 1157 . 115 LEU CA C 55.2 0.05 1 1158 . 115 LEU HA H 4.19 0.005 1 1159 . 115 LEU CB C 41.7 0.05 1 1160 . 115 LEU HB2 H 1.65 0.005 2 1161 . 115 LEU HB3 H 1.55 0.005 2 1162 . 115 LEU CG C 26.6 0.05 1 1163 . 115 LEU HG H 1.62 0.005 1 1164 . 115 LEU HD1 H 0.85 0.005 2 1165 . 115 LEU HD2 H 0.81 0.005 2 1166 . 115 LEU CD1 C 24.6 0.05 1 1167 . 115 LEU CD2 C 22.9 0.05 1 1168 . 116 ALA N N 125.3 0.05 1 1169 . 116 ALA H H 7.75 0.005 1 1170 . 116 ALA CA C 51.7 0.05 1 1171 . 116 ALA HA H 4.33 0.005 1 1172 . 116 ALA HB H 1.35 0.005 1 1173 . 116 ALA CB C 18.6 0.05 1 1174 . 117 SER N N 122.0 0.05 1 1175 . 117 SER H H 7.69 0.005 1 1176 . 117 SER CA C 59.6 0.05 1 1177 . 117 SER HA H 4.26 0.005 1 1178 . 117 SER CB C 64.3 0.05 1 1179 . 117 SER HB2 H 3.78 0.005 2 1180 . 117 SER HB3 H 3.73 0.005 2 stop_ save_