data_5906 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C resonance Assignments of DARPP-32 (dopamine and cAMP-regulated phosphoprotein, Mr. 32,000) -A Protein Inhibitor of Protein Phosphatase-1 ; _BMRB_accession_number 5906 _BMRB_flat_file_name bmr5906.str _Entry_type original _Submission_date 2003-08-18 _Accession_date 2003-08-19 _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 Lin Ta-Hsien . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 471 "13C chemical shifts" 451 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-13 original author . stop_ _Original_release_date 2004-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to Editor: 1H, 15N, and 13C resonance Assignments of DARPP-32 (dopamine and cAMP-regulated phosphoprotein, Mr. 32,000) - a protein inhibitor of protein phosphatase-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14872138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Ta-Hsien . . 2 Huang Yi-Choang . . 3 Chin Mei-ling . . 4 Chen Yi-chen . . 5 Jeng Hao-Hsuan . . 6 Lin Fang-Min . . 7 Shiao Ming-Shi . . 8 Horiuchi Atsuko . . 9 Greengard Paul . . 10 Nairn Angus C. . 11 Huang Hsien-bin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 413 _Page_last 414 _Year 2004 _Details . loop_ _Keyword DARPP-32 'heteronuclear NMR' 'protein phosphatase-1' stop_ save_ ################################## # Molecular system description # ################################## save_system_DARPP-32 _Saveframe_category molecular_system _Mol_system_name 'dopamine and cAMP-regulated phosphoprotein, Mr. 32,000' _Abbreviation_common DARPP-32 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DARPP-32 $DARPP-32 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DARPP-32 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'dopamine and cAMP-regulated phosphoprotein, Mr. 32,000' _Name_variant DARPP-32 _Abbreviation_common DARPP-32 _Molecular_mass 13477.48 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; MDPKDRKKIQFSVPAPPSQL DPRQVEMIRRRRPTPALLFR VSEHSSPEEESSPHQRTSGE GHHPKSKRPNPCAYTPPSLK AVQRIAESHLQTISNLSENQ ASEEEDELGELRELGYPQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 LYS 5 ASP 6 ARG 7 LYS 8 LYS 9 ILE 10 GLN 11 PHE 12 SER 13 VAL 14 PRO 15 ALA 16 PRO 17 PRO 18 SER 19 GLN 20 LEU 21 ASP 22 PRO 23 ARG 24 GLN 25 VAL 26 GLU 27 MET 28 ILE 29 ARG 30 ARG 31 ARG 32 ARG 33 PRO 34 THR 35 PRO 36 ALA 37 LEU 38 LEU 39 PHE 40 ARG 41 VAL 42 SER 43 GLU 44 HIS 45 SER 46 SER 47 PRO 48 GLU 49 GLU 50 GLU 51 SER 52 SER 53 PRO 54 HIS 55 GLN 56 ARG 57 THR 58 SER 59 GLY 60 GLU 61 GLY 62 HIS 63 HIS 64 PRO 65 LYS 66 SER 67 LYS 68 ARG 69 PRO 70 ASN 71 PRO 72 CYS 73 ALA 74 TYR 75 THR 76 PRO 77 PRO 78 SER 79 LEU 80 LYS 81 ALA 82 VAL 83 GLN 84 ARG 85 ILE 86 ALA 87 GLU 88 SER 89 HIS 90 LEU 91 GLN 92 THR 93 ILE 94 SER 95 ASN 96 LEU 97 SER 98 GLU 99 ASN 100 GLN 101 ALA 102 SER 103 GLU 104 GLU 105 GLU 106 ASP 107 GLU 108 LEU 109 GLY 110 GLU 111 LEU 112 ARG 113 GLU 114 LEU 115 GLY 116 TYR 117 PRO 118 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 15176 Darpp-32 100.00 120 98.31 98.31 2.72e-75 BMRB 15865 DARPP-32 100.00 120 98.31 98.31 2.72e-75 GB AAH78954 "Protein phosphatase 1, regulatory (inhibitor) subunit 1B [Rattus norvegicus]" 100.00 205 100.00 100.00 2.19e-77 GB AAT11858 "dopamine- and cAMP-regulated phosphoprotein DARPP-32 [Rattus norvegicus]" 100.00 205 100.00 100.00 2.19e-77 GB EDM05918 "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a [Rattus norvegicus]" 100.00 148 100.00 100.00 2.44e-78 GB EDM05919 "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a [Rattus norvegicus]" 100.00 148 100.00 100.00 2.44e-78 REF NP_612530 "protein phosphatase 1 regulatory subunit 1B [Rattus norvegicus]" 100.00 205 100.00 100.00 2.19e-77 SP Q6J4I0 "RecName: Full=Protein phosphatase 1 regulatory subunit 1B; AltName: Full=DARPP-32; AltName: Full=Dopamine- and cAMP-regulated n" 100.00 205 100.00 100.00 2.19e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DARPP-32 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $DARPP-32 '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 $DARPP-32 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.05 n/a temperature 296 0.1 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 DARPP-32 _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 MET HA H 4.08 0.02 1 2 . 1 MET HB2 H 2.13 0.02 2 3 . 1 MET HG2 H 2.55 0.02 2 4 . 1 MET C C 172.1 0.05 1 5 . 1 MET CA C 54.5 0.05 1 6 . 1 MET CB C 32.4 0.05 1 7 . 2 ASP H H 9.04 0.02 1 8 . 2 ASP HA H 4.80 0.02 1 9 . 2 ASP HB2 H 2.78 0.02 2 10 . 2 ASP HB3 H 2.61 0.02 2 11 . 2 ASP CA C 51.8 0.05 1 12 . 2 ASP CB C 40.9 0.05 1 13 . 2 ASP N N 126.9 0.05 1 14 . 3 PRO HA H 4.34 0.02 1 15 . 3 PRO HB2 H 2.33 0.02 2 16 . 3 PRO HB3 H 1.95 0.02 2 17 . 3 PRO HG2 H 2.02 0.02 2 18 . 3 PRO HD2 H 3.88 0.02 2 19 . 3 PRO C C 177.7 0.05 1 20 . 3 PRO CA C 63.4 0.05 1 21 . 3 PRO CB C 31.7 0.05 1 22 . 3 PRO CG C 26.9 0.05 1 23 . 3 PRO CD C 50.9 0.05 1 24 . 4 LYS H H 8.59 0.02 1 25 . 4 LYS HA H 4.18 0.02 1 26 . 4 LYS HB2 H 1.79 0.02 2 27 . 4 LYS HG2 H 1.40 0.02 2 28 . 4 LYS HD2 H 1.70 0.02 2 29 . 4 LYS HE2 H 2.28 0.02 2 30 . 4 LYS C C 177.0 0.05 1 31 . 4 LYS CA C 56.7 0.05 1 32 . 4 LYS CB C 31.7 0.05 1 33 . 4 LYS CG C 24.3 0.05 1 34 . 4 LYS CD C 28.8 0.05 1 35 . 4 LYS CE C 41.9 0.05 1 36 . 4 LYS N N 119.4 0.05 1 37 . 5 ASP H H 8.06 0.02 1 38 . 5 ASP HA H 4.58 0.02 1 39 . 5 ASP HB2 H 2.70 0.02 2 40 . 5 ASP C C 176.5 0.05 1 41 . 5 ASP CA C 54.0 0.05 1 42 . 5 ASP CB C 40.6 0.05 1 43 . 5 ASP N N 120.0 0.05 1 44 . 6 ARG H H 8.03 0.02 1 45 . 6 ARG HA H 4.22 0.02 1 46 . 6 ARG HB2 H 1.94 0.02 2 47 . 6 ARG HB3 H 1.75 0.02 2 48 . 6 ARG HG2 H 1.62 0.02 2 49 . 6 ARG HD2 H 3.19 0.02 2 50 . 6 ARG C C 176.6 0.05 1 51 . 6 ARG CA C 56.1 0.05 1 52 . 6 ARG CB C 30.0 0.05 1 53 . 6 ARG CG C 26.6 0.05 1 54 . 6 ARG CD C 43.3 0.05 1 55 . 6 ARG N N 121.4 0.05 1 56 . 7 LYS H H 8.24 0.02 1 57 . 7 LYS HA H 4.23 0.02 1 58 . 7 LYS HB2 H 1.79 0.02 2 59 . 7 LYS HG2 H 1.43 0.02 2 60 . 7 LYS HD2 H 1.70 0.02 2 61 . 7 LYS C C 176.7 0.05 1 62 . 7 LYS CA C 56.1 0.05 1 63 . 7 LYS CB C 32.2 0.05 1 64 . 7 LYS CG C 24.4 0.05 1 65 . 7 LYS CD C 28.7 0.05 1 66 . 7 LYS CE C 41.9 0.05 1 67 . 7 LYS N N 121.4 0.05 1 68 . 8 LYS H H 8.16 0.02 1 69 . 8 LYS HA H 4.26 0.02 1 70 . 8 LYS HB2 H 1.77 0.02 2 71 . 8 LYS HG2 H 1.42 0.02 2 72 . 8 LYS HD2 H 1.70 0.02 2 73 . 8 LYS C C 176.6 0.05 1 74 . 8 LYS CA C 55.9 0.05 1 75 . 8 LYS CB C 32.3 0.05 1 76 . 8 LYS CG C 24.4 0.05 1 77 . 8 LYS CD C 28.8 0.05 1 78 . 8 LYS CE C 42.0 0.05 1 79 . 8 LYS N N 122.0 0.05 1 80 . 9 ILE H H 8.08 0.02 1 81 . 9 ILE HA H 4.08 0.02 1 82 . 9 ILE HB H 1.79 0.02 1 83 . 9 ILE HG12 H 0.89 0.02 2 84 . 9 ILE HD1 H 0.68 0.02 1 85 . 9 ILE C C 176.0 0.05 1 86 . 9 ILE CA C 60.6 0.05 1 87 . 9 ILE CB C 38.1 0.05 1 88 . 9 ILE CG1 C 26.9 0.05 2 89 . 9 ILE CG2 C 16.8 0.05 2 90 . 9 ILE N N 122.2 0.05 1 91 . 10 GLN H H 8.36 0.02 1 92 . 10 GLN HA H 4.25 0.02 1 93 . 10 GLN HB2 H 1.91 0.02 2 94 . 10 GLN HG2 H 2.22 0.02 2 95 . 10 GLN HG3 H 2.29 0.02 2 96 . 10 GLN C C 175.3 0.05 1 97 . 10 GLN CA C 55.1 0.05 1 98 . 10 GLN CB C 29.1 0.05 1 99 . 10 GLN CG C 33.4 0.05 1 100 . 10 GLN N N 124.4 0.05 1 101 . 11 PHE H H 8.26 0.02 1 102 . 11 PHE HA H 4.65 0.02 1 103 . 11 PHE HB2 H 3.15 0.02 2 104 . 11 PHE HB3 H 2.98 0.02 2 105 . 11 PHE C C 178.3 0.05 1 106 . 11 PHE CA C 56.9 0.05 1 107 . 11 PHE CB C 39.3 0.05 1 108 . 11 PHE N N 121.8 0.05 1 109 . 12 SER H H 8.22 0.02 1 110 . 12 SER HA H 4.44 0.02 1 111 . 12 SER HB2 H 3.78 0.02 2 112 . 12 SER C C 173.7 0.05 1 113 . 12 SER CA C 57.3 0.05 1 114 . 12 SER CB C 63.4 0.05 1 115 . 12 SER N N 117.8 0.05 1 116 . 13 VAL H H 8.17 0.02 1 117 . 13 VAL HA H 4.41 0.02 1 118 . 13 VAL HB H 2.08 0.02 1 119 . 13 VAL HG1 H 0.99 0.02 2 120 . 13 VAL HG2 H 0.84 0.02 2 121 . 13 VAL C C 174.4 0.05 1 122 . 13 VAL CA C 59.2 0.05 1 123 . 13 VAL CB C 32.2 0.05 1 124 . 13 VAL N N 123.1 0.05 1 125 . 14 PRO HA H 4.39 0.02 1 126 . 14 PRO HB2 H 2.26 0.02 2 127 . 14 PRO HB3 H 1.86 0.02 2 128 . 14 PRO HG2 H 1.99 0.02 2 129 . 14 PRO C C 176.2 0.05 1 130 . 14 PRO CA C 62.4 0.05 1 131 . 14 PRO CB C 31.5 0.05 1 132 . 14 PRO CG C 26.9 0.05 1 133 . 14 PRO CD C 51.0 0.05 1 134 . 15 ALA H H 8.34 0.02 1 135 . 15 ALA HA H 4.55 0.02 1 136 . 15 ALA HB H 1.48 0.02 1 137 . 15 ALA C C 175.1 0.05 1 138 . 15 ALA CA C 49.72 0.05 1 139 . 15 ALA CB C 17.5 0.05 1 140 . 15 ALA N N 125.7 0.05 1 141 . 17 PRO HA H 4.42 0.02 1 142 . 17 PRO HB2 H 2.31 0.02 2 143 . 17 PRO HB3 H 1.91 0.02 2 144 . 17 PRO HG2 H 2.00 0.02 2 145 . 17 PRO HD2 H 3.63 0.02 2 146 . 17 PRO C C 177.1 0.05 1 147 . 17 PRO CA C 62.3 0.05 1 148 . 17 PRO CB C 31.5 0.05 1 149 . 17 PRO CG C 26.9 0.05 1 150 . 17 PRO CD C 50.5 0.05 1 151 . 18 SER H H 8.37 0.02 1 152 . 18 SER HA H 4.37 0.02 1 153 . 18 SER HB2 H 3.84 0.02 2 154 . 18 SER C C 174.7 0.05 1 155 . 18 SER CA C 57.8 0.05 1 156 . 18 SER CB C 63.4 0.05 1 157 . 18 SER N N 115.7 0.05 1 158 . 19 GLN H H 8.41 0.02 1 159 . 19 GLN HA H 4.33 0.02 1 160 . 19 GLN HB2 H 2.12 0.02 2 161 . 19 GLN HB3 H 1.91 0.02 2 162 . 19 GLN HG2 H 2.36 0.02 2 163 . 19 GLN C C 175.6 0.05 1 164 . 19 GLN CA C 55.0 0.05 1 165 . 19 GLN CB C 29.0 0.05 1 166 . 19 GLN N N 122.0 0.05 1 167 . 20 LEU H H 8.17 0.02 1 168 . 20 LEU HA H 4.32 0.02 1 169 . 20 LEU HB2 H 1.57 0.02 2 170 . 20 LEU HG H 1.64 0.02 1 171 . 20 LEU HD1 H 1.00 0.02 2 172 . 20 LEU HD2 H 0.80 0.02 2 173 . 20 LEU C C 176.6 0.05 1 174 . 20 LEU CA C 54.5 0.05 1 175 . 20 LEU CB C 42.2 0.05 1 176 . 20 LEU CG C 24.5 0.05 1 177 . 20 LEU CD1 C 22.9 0.05 1 178 . 20 LEU N N 122.9 0.05 1 179 . 21 ASP H H 8.39 0.02 1 180 . 21 ASP HA H 4.88 0.02 1 181 . 21 ASP HB2 H 2.77 0.02 2 182 . 21 ASP C C 175.2 0.05 1 183 . 21 ASP CA C 51.2 0.05 1 184 . 21 ASP CB C 41.0 0.05 1 185 . 22 PRO HA H 4.32 0.02 1 186 . 22 PRO HB2 H 2.35 0.02 2 187 . 22 PRO HB3 H 1.96 0.02 2 188 . 22 PRO HG2 H 1.99 0.02 2 189 . 22 PRO C C 178.2 0.05 1 190 . 22 PRO CA C 63.6 0.05 1 191 . 22 PRO CB C 31.7 0.05 1 192 . 22 PRO CG C 26.9 0.05 1 193 . 22 PRO CD C 51.0 0.05 1 194 . 23 ARG H H 8.44 0.02 1 195 . 23 ARG HA H 4.18 0.02 1 196 . 23 ARG HB2 H 1.86 0.02 2 197 . 23 ARG HG2 H 1.68 0.02 2 198 . 23 ARG HD2 H 3.21 0.02 2 199 . 23 ARG C C 177.9 0.05 1 200 . 23 ARG CA C 56.9 0.05 1 201 . 23 ARG CB C 29.6 0.05 1 202 . 23 ARG CG C 26.8 0.05 1 203 . 23 ARG CD C 43.1 0.05 1 204 . 23 ARG N N 118.5 0.05 1 205 . 24 GLN H H 8.03 0.02 1 206 . 24 GLN HA H 4.23 0.02 1 207 . 24 GLN HB2 H 2.14 0.02 2 208 . 24 GLN HG2 H 2.39 0.02 2 209 . 24 GLN C C 177.2 0.05 1 210 . 24 GLN CA C 56.5 0.05 1 211 . 24 GLN CB C 28.6 0.05 1 212 . 24 GLN N N 119.6 0.05 1 213 . 25 VAL H H 7.92 0.02 1 214 . 25 VAL HA H 3.84 0.02 1 215 . 25 VAL HB H 2.09 0.02 1 216 . 25 VAL HG1 H 0.91 0.02 2 217 . 25 VAL C C 177.2 0.05 1 218 . 25 VAL CA C 63.7 0.05 1 219 . 25 VAL CB C 31.8 0.05 1 220 . 25 VAL CG1 C 20.8 0.05 1 221 . 26 GLU H H 8.17 0.02 1 222 . 26 GLU HA H 4.17 0.02 1 223 . 26 GLU HG2 H 2.30 0.02 2 224 . 26 GLU C C 177.4 0.05 1 225 . 26 GLU CA C 57.0 0.05 1 226 . 26 GLU CB C 29.2 0.05 1 227 . 26 GLU CG C 35.8 0.05 1 228 . 26 GLU N N 121.7 0.05 1 229 . 27 MET H H 8.05 0.02 1 230 . 27 MET HA H 4.30 0.02 1 231 . 27 MET HB2 H 2.09 0.02 2 232 . 27 MET HG2 H 2.65 0.02 2 233 . 27 MET HE H 0.77 0.02 1 234 . 27 MET C C 177.5 0.05 1 235 . 27 MET CA C 56.4 0.05 1 236 . 27 MET CB C 32.0 0.05 1 237 . 27 MET CE C 22.9 0.05 1 238 . 27 MET N N 119.8 0.05 1 239 . 28 ILE H H 8.00 0.02 1 240 . 28 ILE HA H 3.96 0.02 1 241 . 28 ILE HB H 2.06 0.02 1 242 . 28 ILE HG12 H 0.92 0.02 2 243 . 28 ILE HD1 H 0.77 0.02 1 244 . 28 ILE C C 177.2 0.05 1 245 . 28 ILE CA C 62.0 0.05 1 246 . 28 ILE CB C 37.8 0.05 1 247 . 28 ILE CG1 C 28.2 0.05 1 248 . 28 ILE CD1 C 14.8 0.05 1 249 . 28 ILE N N 120.7 0.05 1 250 . 29 ARG H H 8.17 0.02 1 251 . 29 ARG HA H 4.24 0.02 1 252 . 29 ARG HB2 H 1.85 0.02 2 253 . 29 ARG HG2 H 1.62 0.02 2 254 . 29 ARG HD2 H 3.17 0.02 1 255 . 29 ARG C C 176.9 0.05 1 256 . 29 ARG CA C 57.3 0.05 1 257 . 29 ARG CB C 29.1 0.05 1 258 . 29 ARG CG C 26.8 0.05 1 259 . 29 ARG CD C 43.3 0.05 1 260 . 29 ARG N N 122.9 0.05 1 261 . 30 ARG H H 8.10 0.02 1 262 . 30 ARG HA H 4.27 0.02 1 263 . 30 ARG HB2 H 1.85 0.02 2 264 . 30 ARG HD2 H 3.19 0.02 2 265 . 30 ARG C C 176.4 0.05 1 266 . 30 ARG CA C 55.9 0.05 1 267 . 30 ARG CB C 30.2 0.05 1 268 . 30 ARG CG C 26.8 0.05 1 269 . 30 ARG CD C 43.4 0.05 1 270 . 30 ARG N N 120.4 0.05 1 271 . 31 ARG H H 8.15 0.02 1 272 . 31 ARG HA H 4.29 0.02 1 273 . 31 ARG HB2 H 1.81 0.02 2 274 . 31 ARG HG2 H 1.64 0.02 2 275 . 31 ARG HD2 H 3.18 0.02 2 276 . 31 ARG C C 176.1 0.05 1 277 . 31 ARG CA C 55.8 0.05 1 278 . 31 ARG CB C 30.3 0.05 1 279 . 31 ARG CG C 26.8 0.05 1 280 . 31 ARG CD C 43.4 0.05 1 281 . 31 ARG N N 121.4 0.05 1 282 . 32 ARG H H 8.34 0.02 1 283 . 32 ARG HA H 4.62 0.02 1 284 . 32 ARG HB2 H 1.75 0.02 2 285 . 32 ARG HD2 H 3.21 0.02 2 286 . 32 ARG C C 174.2 0.05 1 287 . 32 ARG CA C 53.5 0.05 1 288 . 32 ARG CB C 29.7 0.05 1 289 . 32 ARG N N 123.6 0.05 1 290 . 33 PRO HA H 4.47 0.02 1 291 . 33 PRO HB2 H 2.50 0.02 2 292 . 33 PRO HB3 H 2.12 0.02 2 293 . 33 PRO C C 176.8 0.05 1 294 . 33 PRO CA C 62.5 0.05 1 295 . 33 PRO CB C 31.6 0.05 1 296 . 33 PRO CG C 26.9 0.05 1 297 . 33 PRO CD C 50.7 0.05 1 298 . 34 THR H H 8.28 0.02 1 299 . 34 THR HA H 4.55 0.02 1 300 . 34 THR HB H 3.83 0.02 1 301 . 34 THR HG2 H 1.29 0.02 1 302 . 34 THR C C 173.0 0.05 1 303 . 34 THR CA C 59.3 0.05 1 304 . 34 THR CB C 69.2 0.05 1 305 . 34 THR N N 117.3 0.05 1 306 . 35 PRO HA H 4.35 0.02 1 307 . 35 PRO HB2 H 2.30 0.02 2 308 . 35 PRO HB3 H 1.89 0.02 2 309 . 35 PRO C C 176.1 0.05 1 310 . 35 PRO CA C 63.0 0.05 1 311 . 35 PRO CB C 31.5 0.05 1 312 . 35 PRO CG C 27.0 0.05 1 313 . 35 PRO CD C 51.1 0.05 1 314 . 36 ALA H H 8.33 0.02 1 315 . 36 ALA HA H 4.22 0.02 1 316 . 36 ALA HB H 1.35 0.02 1 317 . 36 ALA C C 177.8 0.05 1 318 . 36 ALA CA C 52.1 0.05 1 319 . 36 ALA CB C 18.6 0.05 1 320 . 36 ALA N N 123.8 0.05 1 321 . 37 LEU H H 8.10 0.02 1 322 . 37 LEU HA H 4.26 0.02 1 323 . 37 LEU HB2 H 1.55 0.02 2 324 . 37 LEU HD1 H 0.84 0.02 2 325 . 37 LEU C C 177.1 0.05 1 326 . 37 LEU CA C 54.7 0.05 1 327 . 37 LEU CB C 41.8 0.05 1 328 . 37 LEU CG C 24.5 0.05 1 329 . 37 LEU CD1 C 23.1 0.05 1 330 . 37 LEU N N 120.9 0.05 1 331 . 38 LEU H H 8.05 0.02 1 332 . 38 LEU HA H 4.27 0.02 1 333 . 38 LEU HB2 H 1.49 0.02 2 334 . 38 LEU HD1 H 0.82 0.02 2 335 . 38 LEU C C 176.8 0.05 1 336 . 38 LEU CA C 54.6 0.05 1 337 . 38 LEU CB C 41.9 0.05 1 338 . 38 LEU N N 122.3 0.05 1 339 . 39 PHE H H 8.08 0.02 1 340 . 39 PHE HA H 4.52 0.02 1 341 . 39 PHE HB2 H 3.02 0.02 2 342 . 39 PHE C C 175.3 0.05 1 343 . 39 PHE CA C 57.1 0.05 1 344 . 39 PHE CB C 39.1 0.05 1 345 . 39 PHE N N 120.5 0.05 1 346 . 40 ARG HA H 4.39 0.02 1 347 . 40 ARG HB2 H 1.73 0.02 2 348 . 40 ARG HG2 H 1.60 0.02 2 349 . 40 ARG HD2 H 3.13 0.02 2 350 . 40 ARG C C 175.5 0.05 1 351 . 40 ARG CA C 55.2 0.05 1 352 . 40 ARG CB C 30.7 0.05 1 353 . 40 ARG CD C 43.2 0.05 1 354 . 41 VAL H H 8.41 0.02 1 355 . 41 VAL HA H 4.00 0.02 1 356 . 41 VAL HB H 2.02 0.02 1 357 . 41 VAL HG1 H 1.09 0.02 2 358 . 41 VAL HG2 H 0.93 0.02 2 359 . 41 VAL C C 176.1 0.05 1 360 . 41 VAL CA C 62.1 0.05 1 361 . 41 VAL CB C 32.2 0.05 1 362 . 41 VAL CG1 C 20.3 0.05 1 363 . 41 VAL N N 122.9 0.05 1 364 . 42 SER H H 8.38 0.02 1 365 . 42 SER HA H 4.41 0.02 1 366 . 42 SER HB2 H 3.83 0.02 2 367 . 42 SER C C 174.5 0.05 1 368 . 42 SER CA C 57.7 0.05 1 369 . 42 SER CB C 63.3 0.05 1 370 . 42 SER N N 119.0 0.05 1 371 . 43 GLU H H 8.46 0.02 1 372 . 43 GLU HA H 4.22 0.02 1 373 . 43 GLU HB2 H 1.91 0.02 2 374 . 43 GLU HG2 H 2.21 0.02 2 375 . 43 GLU C C 176.2 0.05 1 376 . 43 GLU CA C 56.3 0.05 1 377 . 43 GLU CB C 29.7 0.05 1 378 . 43 GLU CG C 35.8 0.05 1 379 . 43 GLU N N 122.9 0.05 1 380 . 44 HIS H H 8.49 0.02 1 381 . 44 HIS HA H 4.74 0.02 1 382 . 44 HIS HB2 H 3.29 0.02 2 383 . 44 HIS HB3 H 3.13 0.02 2 384 . 44 HIS C C 174.4 0.05 1 385 . 44 HIS CA C 54.6 0.05 1 386 . 44 HIS CB C 28.7 0.05 1 387 . 44 HIS N N 118.8 0.05 1 388 . 45 SER H H 8.40 0.02 1 389 . 45 SER HA H 4.48 0.02 1 390 . 45 SER HB2 H 3.85 0.02 2 391 . 45 SER C C 174.2 0.05 1 392 . 45 SER CA C 57.8 0.05 1 393 . 45 SER CB C 63.4 0.05 1 394 . 45 SER N N 117.4 0.05 1 395 . 46 SER H H 8.47 0.02 1 396 . 46 SER HA H 4.81 0.02 1 397 . 46 SER HB2 H 3.88 0.02 2 398 . 46 SER C C 173.0 0.05 1 399 . 46 SER CA C 55.9 0.05 1 400 . 46 SER CB C 63.0 0.05 1 401 . 46 SER N N 119.0 0.05 1 402 . 47 PRO HA H 4.41 0.02 1 403 . 47 PRO HB2 H 2.30 0.02 2 404 . 47 PRO HB3 H 1.93 0.02 2 405 . 47 PRO HG2 H 2.01 0.02 2 406 . 47 PRO C C 177.4 0.05 1 407 . 47 PRO CA C 63.2 0.05 1 408 . 47 PRO CB C 31.5 0.05 1 409 . 47 PRO CG C 26.9 0.05 1 410 . 47 PRO CD C 50.8 0.05 1 411 . 48 GLU H H 8.54 0.02 1 412 . 48 GLU HA H 4.22 0.02 1 413 . 48 GLU HB2 H 2.03 0.02 2 414 . 48 GLU HB3 H 1.93 0.02 2 415 . 48 GLU HG2 H 2.28 0.02 2 416 . 48 GLU C C 176.9 0.05 1 417 . 48 GLU CA C 56.5 0.05 1 418 . 48 GLU CB C 29.3 0.05 1 419 . 48 GLU CG C 35.9 0.05 1 420 . 48 GLU N N 120.3 0.05 1 421 . 49 GLU H H 8.29 0.02 1 422 . 49 GLU HA H 4.20 0.02 1 423 . 49 GLU HB2 H 2.05 0.02 2 424 . 49 GLU HB3 H 1.94 0.02 2 425 . 49 GLU HG2 H 2.26 0.02 2 426 . 49 GLU C C 176.8 0.05 1 427 . 49 GLU CA C 56.3 0.05 1 428 . 49 GLU CB C 29.7 0.05 1 429 . 49 GLU CG C 36.0 0.05 1 430 . 49 GLU N N 121.7 0.05 1 431 . 50 GLU H H 8.37 0.02 1 432 . 50 GLU HA H 4.28 0.02 1 433 . 50 GLU HB2 H 2.07 0.02 2 434 . 50 GLU HB3 H 1.93 0.02 2 435 . 50 GLU HG2 H 2.26 0.02 2 436 . 50 GLU C C 176.6 0.05 1 437 . 50 GLU CA C 56.2 0.05 1 438 . 50 GLU CB C 29.7 0.05 1 439 . 50 GLU CG C 35.9 0.05 1 440 . 50 GLU N N 121.7 0.05 1 441 . 51 SER H H 8.31 0.02 1 442 . 51 SER HA H 4.45 0.02 1 443 . 51 SER HB2 H 3.86 0.02 2 444 . 51 SER C C 174.4 0.05 1 445 . 51 SER CA C 57.8 0.05 1 446 . 51 SER CB C 63.2 0.05 1 447 . 51 SER N N 116.4 0.05 1 448 . 52 SER H H 8.23 0.02 1 449 . 52 SER HA H 4.72 0.02 1 450 . 52 SER HB2 H 3.88 0.02 2 451 . 52 SER C C 172.9 0.05 1 452 . 52 SER CA C 55.9 0.05 1 453 . 52 SER CB C 62.9 0.05 1 454 . 52 SER N N 118.5 0.05 1 455 . 53 PRO HA H 4.39 0.02 1 456 . 53 PRO HB2 H 2.24 0.02 2 457 . 53 PRO HB3 H 1.79 0.02 2 458 . 53 PRO HG2 H 1.95 0.02 2 459 . 53 PRO HD2 H 3.72 0.02 2 460 . 53 PRO C C 177.1 0.05 1 461 . 53 PRO CA C 62.9 0.05 1 462 . 53 PRO CB C 31.5 0.05 1 463 . 53 PRO CG C 26.8 0.05 1 464 . 53 PRO CD C 50.7 0.05 1 465 . 54 HIS H H 8.53 0.02 1 466 . 54 HIS HA H 4.27 0.02 1 467 . 54 HIS HB2 H 2.00 0.02 2 468 . 54 HIS HB3 H 1.95 0.02 2 469 . 54 HIS C C 174.7 0.05 1 470 . 54 HIS CA C 54.9 0.05 1 471 . 54 HIS CB C 28.4 0.05 1 472 . 54 HIS N N 118.3 0.05 1 473 . 55 GLN H H 8.38 0.02 1 474 . 55 GLN HA H 4.32 0.02 1 475 . 55 GLN HB2 H 2.02 0.02 2 476 . 55 GLN HG2 H 2.35 0.02 2 477 . 55 GLN C C 175.2 0.05 1 478 . 55 GLN CA C 56.0 0.05 1 479 . 55 GLN CB C 29.5 0.05 1 480 . 55 GLN CG C 28.4 0.05 1 481 . 55 GLN N N 121.5 0.05 1 482 . 56 ARG H H 8.56 0.02 1 483 . 56 ARG HA H 4.34 0.02 1 484 . 56 ARG HB2 H 1.83 0.02 2 485 . 56 ARG HG2 H 1.63 0.02 2 486 . 56 ARG HD2 H 3.18 0.02 2 487 . 56 ARG C C 176.7 0.05 1 488 . 56 ARG CA C 55.7 0.05 1 489 . 56 ARG CB C 30.4 0.05 1 490 . 56 ARG CG C 26.8 0.05 1 491 . 56 ARG CD C 43.2 0.05 1 492 . 56 ARG N N 123.0 0.05 1 493 . 57 THR H H 8.32 0.02 1 494 . 57 THR HA H 4.41 0.02 1 495 . 57 THR HB H 4.24 0.02 1 496 . 57 THR HG2 H 1.20 0.02 1 497 . 57 THR C C 174.8 0.05 1 498 . 57 THR CA C 61.0 0.05 1 499 . 57 THR CB C 69.3 0.05 1 500 . 57 THR CG2 C 21.0 0.05 1 501 . 57 THR N N 115.4 0.05 1 502 . 58 SER H H 8.43 0.02 1 503 . 58 SER HA H 4.46 0.02 1 504 . 58 SER HB2 H 3.88 0.02 2 505 . 58 SER C C 175.1 0.05 1 506 . 58 SER CA C 58.0 0.05 1 507 . 58 SER CB C 63.4 0.05 1 508 . 58 SER N N 118.0 0.05 1 509 . 59 GLY H H 8.52 0.02 1 510 . 59 GLY HA2 H 3.99 0.02 2 511 . 59 GLY C C 174.3 0.05 1 512 . 59 GLY CA C 44.9 0.05 1 513 . 59 GLY N N 111.0 0.05 1 514 . 60 GLU H H 8.31 0.02 1 515 . 60 GLU HA H 4.26 0.02 1 516 . 60 GLU HB2 H 2.03 0.02 2 517 . 60 GLU HB3 H 1.93 0.02 2 518 . 60 GLU HG2 H 2.27 0.02 2 519 . 60 GLU C C 177.1 0.05 1 520 . 60 GLU CA C 56.1 0.05 1 521 . 60 GLU CB C 29.7 0.05 1 522 . 60 GLU CG C 35.9 0.05 1 523 . 60 GLU N N 120.6 0.05 1 524 . 61 GLY H H 8.49 0.02 1 525 . 61 GLY HA2 H 3.86 0.02 2 526 . 61 GLY C C 173.8 0.05 1 527 . 61 GLY CA C 44.6 0.05 1 528 . 61 GLY N N 109.6 0.05 1 529 . 62 HIS H H 8.36 0.02 1 530 . 62 HIS HA H 4.64 0.02 1 531 . 62 HIS HB2 H 3.15 0.02 2 532 . 62 HIS HB3 H 3.05 0.02 2 533 . 62 HIS C C 174.3 0.05 1 534 . 62 HIS CA C 54.7 0.05 1 535 . 62 HIS CB C 28.7 0.05 1 536 . 62 HIS N N 118.0 0.05 1 537 . 63 HIS H H 8.67 0.02 1 538 . 63 HIS HA H 4.80 0.02 1 539 . 63 HIS HB2 H 3.20 0.02 2 540 . 63 HIS HB3 H 3.10 0.02 2 541 . 63 HIS C C 176.8 0.05 1 542 . 63 HIS CA C 52.9 0.05 1 543 . 63 HIS CB C 28.3 0.05 1 544 . 63 HIS N N 121.0 0.05 1 545 . 64 PRO HA H 4.90 0.02 1 546 . 64 PRO HB2 H 2.30 0.02 2 547 . 64 PRO HB3 H 1.91 0.02 2 548 . 64 PRO HD2 H 3.23 0.02 2 549 . 64 PRO C C 177 0.05 1 550 . 64 PRO CA C 62.6 0.05 1 551 . 64 PRO CB C 32.0 0.05 1 552 . 64 PRO CG C 26.9 0.05 1 553 . 64 PRO CD C 50.7 0.05 1 554 . 65 LYS H H 8.66 0.02 1 555 . 65 LYS HA H 4.31 0.02 1 556 . 65 LYS HB2 H 1.72 0.02 2 557 . 65 LYS HB3 H 1.82 0.02 2 558 . 65 LYS HG2 H 1.52 0.02 2 559 . 65 LYS HE2 H 2.98 0.02 2 560 . 65 LYS C C 176.9 0.05 1 561 . 65 LYS CA C 55.9 0.05 1 562 . 65 LYS CB C 32.5 0.05 1 563 . 65 LYS CG C 24.5 0.05 1 564 . 65 LYS CD C 28.9 0.05 1 565 . 65 LYS CE C 42.1 0.05 1 566 . 65 LYS N N 122.3 0.05 1 567 . 66 SER H H 8.38 0.02 1 568 . 66 SER HA H 4.41 0.02 1 569 . 66 SER HB2 H 3.85 0.02 2 570 . 66 SER C C 174.4 0.05 1 571 . 66 SER CA C 57.8 0.05 1 572 . 66 SER CB C 63.3 0.05 1 573 . 66 SER N N 117.1 0.05 1 574 . 67 LYS H H 8.47 0.02 1 575 . 67 LYS HA H 4.33 0.02 1 576 . 67 LYS HB2 H 1.83 0.02 2 577 . 67 LYS HB3 H 1.73 0.02 2 578 . 67 LYS HG2 H 1.45 0.02 2 579 . 67 LYS HE2 H 3.20 0.02 2 580 . 67 LYS C C 176.3 0.05 1 581 . 67 LYS CA C 55.6 0.05 1 582 . 67 LYS CB C 32.6 0.05 1 583 . 67 LYS CG C 24.4 0.05 1 584 . 67 LYS CD C 28.8 0.05 1 585 . 67 LYS CE C 42.1 0.05 1 586 . 67 LYS N N 123.7 0.05 1 587 . 68 ARG H H 8.41 0.02 1 588 . 68 ARG HA H 4.54 0.02 1 589 . 68 ARG HB2 H 1.85 0.02 2 590 . 68 ARG HG2 H 1.67 0.02 2 591 . 68 ARG C C 174.3 0.05 1 592 . 68 ARG CA C 53.4 0.05 1 593 . 68 ARG CB C 29.7 0.05 1 594 . 68 ARG N N 123.8 0.05 1 595 . 69 PRO HA H 4.39 0.02 1 596 . 69 PRO HB2 H 2.26 0.02 2 597 . 69 PRO HB3 H 1.86 0.02 2 598 . 69 PRO HG2 H 1.99 0.02 2 599 . 69 PRO HD2 H 3.77 0.02 2 600 . 69 PRO C C 176.4 0.05 1 601 . 69 PRO CA C 62.4 0.05 1 602 . 69 PRO CB C 31.6 0.05 1 603 . 69 PRO CG C 26.9 0.05 1 604 . 69 PRO CD C 50.6 0.05 1 605 . 70 ASN H H 8.58 0.02 1 606 . 70 ASN HA H 4.95 0.02 1 607 . 70 ASN HB2 H 2.84 0.02 2 608 . 70 ASN HB3 H 2.75 0.02 2 609 . 70 ASN C C 173.8 0.05 1 610 . 70 ASN CA C 50.7 0.05 1 611 . 70 ASN CB C 38.1 0.05 1 612 . 70 ASN N N 120.2 0.05 1 613 . 71 PRO HA H 4.41 0.02 1 614 . 71 PRO HB2 H 2.28 0.02 2 615 . 71 PRO HB3 H 1.96 0.02 2 616 . 71 PRO HG2 H 1.97 0.02 2 617 . 71 PRO C C 176.9 0.05 1 618 . 71 PRO CA C 63.0 0.05 1 619 . 71 PRO CB C 31.7 0.05 1 620 . 71 PRO CG C 26.8 0.05 1 621 . 71 PRO CD C 50.7 0.05 1 622 . 72 CYS H H 8.35 0.02 1 623 . 72 CYS HA H 4.42 0.02 1 624 . 72 CYS HB2 H 2.89 0.02 2 625 . 72 CYS C C 174.3 0.05 1 626 . 72 CYS CA C 57.9 0.05 1 627 . 72 CYS CB C 27.4 0.05 1 628 . 72 CYS N N 118.8 0.05 1 629 . 73 ALA H H 8.23 0.02 1 630 . 73 ALA HA H 4.29 0.02 1 631 . 73 ALA HB H 1.34 0.02 1 632 . 73 ALA C C 177.0 0.05 1 633 . 73 ALA CA C 51.9 0.05 1 634 . 73 ALA CB C 18.7 0.05 1 635 . 73 ALA N N 126.0 0.05 1 636 . 74 TYR H H 8.16 0.02 1 637 . 74 TYR HA H 4.57 0.02 1 638 . 74 TYR HB2 H 3.02 0.02 2 639 . 74 TYR HB3 H 2.87 0.02 2 640 . 74 TYR C C 175.2 0.05 1 641 . 74 TYR CA C 57.3 0.05 1 642 . 74 TYR CB C 38.6 0.05 1 643 . 74 TYR N N 120.5 0.05 1 644 . 75 THR H H 7.93 0.02 1 645 . 75 THR HA H 4.49 0.02 1 646 . 75 THR HB H 4.06 0.02 1 647 . 75 THR HG2 H 1.13 0.02 1 648 . 75 THR C C 179.3 0.05 1 649 . 75 THR CA C 58.4 0.05 1 650 . 75 THR CB C 69.6 0.05 1 651 . 75 THR N N 121.9 0.05 1 652 . 77 PRO HA H 4.36 0.02 1 653 . 77 PRO HB2 H 2.28 0.02 2 654 . 77 PRO HB3 H 1.88 0.02 2 655 . 77 PRO HG2 H 2.04 0.02 2 656 . 77 PRO C C 177.1 0.05 1 657 . 77 PRO CA C 61.0 0.05 1 658 . 77 PRO CB C 31.5 0.05 1 659 . 77 PRO CG C 26.8 0.05 1 660 . 77 PRO CD C 50.6 0.05 1 661 . 78 SER H H 8.31 0.02 1 662 . 78 SER HA H 4.38 0.02 1 663 . 78 SER HB2 H 3.86 0.02 2 664 . 78 SER C C 174.8 0.05 1 665 . 78 SER CA C 57.8 0.05 1 666 . 78 SER CB C 63.3 0.05 1 667 . 78 SER N N 115.2 0.05 1 668 . 79 LEU H H 8.26 0.02 1 669 . 79 LEU HA H 4.32 0.02 1 670 . 79 LEU HB2 H 1.60 0.02 2 671 . 79 LEU HB3 H 1.84 0.02 2 672 . 79 LEU HD1 H 0.87 0.02 2 673 . 79 LEU C C 177.5 0.05 1 674 . 79 LEU CA C 55.0 0.05 1 675 . 79 LEU CB C 41.7 0.05 1 676 . 79 LEU CG C 26.6 0.05 1 677 . 79 LEU CD1 C 23.0 0.05 1 678 . 79 LEU N N 124.3 0.05 1 679 . 80 LYS H H 8.16 0.02 1 680 . 80 LYS HA H 4.22 0.02 1 681 . 80 LYS HB2 H 1.67 0.02 2 682 . 80 LYS HB3 H 1.77 0.02 2 683 . 80 LYS HG2 H 1.41 0.02 2 684 . 80 LYS HE2 H 2.96 0.02 2 685 . 80 LYS C C 177.4 0.05 1 686 . 80 LYS CA C 55.9 0.05 1 687 . 80 LYS CB C 32.3 0.05 1 688 . 80 LYS CG C 24.3 0.05 1 689 . 80 LYS CD C 28.7 0.05 1 690 . 80 LYS CE C 41.9 0.05 1 691 . 80 LYS N N 121.5 0.05 1 692 . 81 ALA H H 8.18 0.02 1 693 . 81 ALA HA H 4.28 0.02 1 694 . 81 ALA HB H 1.37 0.02 1 695 . 81 ALA C C 178.0 0.05 1 696 . 81 ALA CA C 52.2 0.05 1 697 . 81 ALA CB C 18.5 0.05 1 698 . 81 ALA N N 124.7 0.05 1 699 . 82 VAL H H 8.04 0.02 1 700 . 82 VAL HA H 4.02 0.02 1 701 . 82 VAL HB H 2.07 0.02 1 702 . 82 VAL HG1 H 0.93 0.02 2 703 . 82 VAL C C 176.5 0.05 1 704 . 82 VAL CA C 62.2 0.05 1 705 . 82 VAL CB C 32.2 0.05 1 706 . 82 VAL CG1 C 20.4 0.05 1 707 . 82 VAL N N 119.1 0.05 1 708 . 83 GLN H H 8.37 0.02 1 709 . 83 GLN HA H 4.30 0.02 1 710 . 83 GLN HB2 H 2.02 0.02 2 711 . 83 GLN HG2 H 2.37 0.02 2 712 . 83 GLN C C 176.0 0.05 1 713 . 83 GLN CA C 55.5 0.05 1 714 . 83 GLN CB C 28.9 0.05 1 715 . 83 GLN N N 123.8 0.05 1 716 . 84 ARG H H 8.37 0.02 1 717 . 84 ARG HA H 4.28 0.02 1 718 . 84 ARG HB2 H 1.79 0.02 2 719 . 84 ARG HG2 H 1.67 0.02 2 720 . 84 ARG HD2 H 3.18 0.02 2 721 . 84 ARG C C 176.5 0.05 1 722 . 84 ARG CA C 55.7 0.05 1 723 . 84 ARG CB C 30.2 0.05 1 724 . 84 ARG CG C 28.7 0.05 1 725 . 84 ARG CD C 43.2 0.05 1 726 . 84 ARG N N 122.7 0.05 1 727 . 85 ILE H H 8.21 0.02 1 728 . 85 ILE HA H 4.03 0.02 1 729 . 85 ILE HB H 1.84 0.02 2 730 . 85 ILE HG12 H 1.59 0.02 2 731 . 85 ILE HD1 H 0.79 0.02 1 732 . 85 ILE C C 177.4 0.05 1 733 . 85 ILE CA C 61.0 0.05 1 734 . 85 ILE CB C 38.0 0.05 1 735 . 85 ILE CG1 C 27.0 0.05 1 736 . 85 ILE CD1 C 16.8 0.05 1 737 . 85 ILE N N 122.5 0.05 1 738 . 86 ALA H H 8.37 0.02 1 739 . 86 ALA HA H 4.27 0.02 1 740 . 86 ALA HB H 1.38 0.02 1 741 . 86 ALA C C 177.9 0.05 1 742 . 86 ALA CA C 52.3 0.05 1 743 . 86 ALA CB C 18.6 0.05 1 744 . 86 ALA N N 127.7 0.05 1 745 . 87 GLU H H 8.35 0.02 1 746 . 87 GLU HA H 4.17 0.02 1 747 . 87 GLU HB2 H 1.99 0.02 2 748 . 87 GLU HG2 H 2.23 0.02 2 749 . 87 GLU C C 176.7 0.05 1 750 . 87 GLU CA C 56.3 0.05 1 751 . 87 GLU CB C 29.6 0.05 1 752 . 87 GLU CG C 36.0 0.05 1 753 . 87 GLU N N 120.1 0.05 1 754 . 88 SER H H 8.27 0.02 1 755 . 88 SER HA H 4.40 0.02 1 756 . 88 SER HB2 H 3.83 0.02 2 757 . 88 SER C C 174.7 0.05 1 758 . 88 SER CA C 58.1 0.05 1 759 . 88 SER CB C 63.2 0.05 1 760 . 88 SER N N 116.3 0.05 1 761 . 89 HIS H H 8.54 0.02 1 762 . 89 HIS HA H 4.71 0.02 1 763 . 89 HIS HB2 H 3.30 0.02 2 764 . 89 HIS HB3 H 3.17 0.02 2 765 . 89 HIS C C 174.5 0.05 1 766 . 89 HIS CA C 55.0 0.05 1 767 . 89 HIS CB C 28.2 0.05 1 768 . 89 HIS N N 120.4 0.05 1 769 . 90 LEU H H 8.17 0.02 1 770 . 90 LEU HA H 4.30 0.02 1 771 . 90 LEU HB2 H 1.59 0.02 2 772 . 90 LEU HG H 1.64 0.02 1 773 . 90 LEU HD1 H 1.00 0.02 2 774 . 90 LEU HD2 H 0.79 0.02 2 775 . 90 LEU C C 177.8 0.05 1 776 . 90 LEU CA C 54.7 0.05 1 777 . 90 LEU CB C 41.8 0.05 1 778 . 90 LEU CG C 24.4 0.05 1 779 . 90 LEU CD1 C 22.8 0.05 1 780 . 90 LEU N N 122.4 0.05 1 781 . 91 GLN H H 8.42 0.02 1 782 . 91 GLN HA H 4.33 0.02 1 783 . 91 GLN HB2 H 2.11 0.02 2 784 . 91 GLN HB3 H 2.00 0.02 2 785 . 91 GLN HG2 H 2.38 0.02 2 786 . 91 GLN C C 176.1 0.05 1 787 . 91 GLN CA C 55.3 0.05 1 788 . 91 GLN CB C 28.9 0.05 1 789 . 91 GLN CG C 33.6 0.05 1 790 . 91 GLN N N 121.1 0.05 1 791 . 92 THR H H 8.21 0.02 1 792 . 92 THR HA H 4.33 0.02 1 793 . 92 THR HB H 4.13 0.02 1 794 . 92 THR HG2 H 1.12 0.02 1 795 . 92 THR C C 174.6 0.05 1 796 . 92 THR CA C 61.5 0.05 1 797 . 92 THR CB C 69.2 0.05 1 798 . 92 THR CG2 C 21.1 0.05 1 799 . 92 THR N N 116.0 0.05 1 800 . 93 ILE H H 8.20 0.02 1 801 . 93 ILE HA H 4.20 0.02 1 802 . 93 ILE HB H 1.88 0.02 1 803 . 93 ILE HG12 H 0.98 0.02 2 804 . 93 ILE HD1 H 0.88 0.02 1 805 . 93 ILE C C 176.3 0.05 1 806 . 93 ILE CA C 60.8 0.05 1 807 . 93 ILE CB C 38.1 0.05 1 808 . 93 ILE CG1 C 26.8 0.05 1 809 . 93 ILE CD1 C 17.0 0.05 1 810 . 93 ILE N N 123.0 0.05 1 811 . 94 SER H H 8.39 0.02 1 812 . 94 SER HA H 4.44 0.02 1 813 . 94 SER HB2 H 3.83 0.02 2 814 . 94 SER C C 174.3 0.05 1 815 . 94 SER CA C 57.8 0.05 1 816 . 94 SER CB C 63.3 0.05 1 817 . 94 SER N N 119.6 0.05 1 818 . 95 ASN H H 8.46 0.02 1 819 . 95 ASN HA H 4.72 0.02 1 820 . 95 ASN HB2 H 2.81 0.02 2 821 . 95 ASN C C 175.3 0.05 1 822 . 95 ASN CA C 52.7 0.05 1 823 . 95 ASN CB C 38.1 0.05 1 824 . 95 ASN N N 121.0 0.05 1 825 . 96 LEU H H 8.21 0.02 1 826 . 96 LEU HA H 4.32 0.02 1 827 . 96 LEU HB2 H 1.62 0.02 2 828 . 96 LEU HD1 H 0.86 0.02 2 829 . 96 LEU C C 177.6 0.05 1 830 . 96 LEU CA C 54.9 0.05 1 831 . 96 LEU CB C 41.7 0.05 1 832 . 96 LEU CG C 24.6 0.05 1 833 . 96 LEU CD1 C 22.8 0.05 1 834 . 96 LEU N N 122.2 0.05 1 835 . 97 SER H H 8.30 0.02 1 836 . 97 SER HA H 4.42 0.02 1 837 . 97 SER HB2 H 3.87 0.02 2 838 . 97 SER C C 174.8 0.05 1 839 . 97 SER CA C 58.0 0.05 1 840 . 97 SER CB C 63.2 0.05 1 841 . 97 SER N N 116.2 0.05 1 842 . 98 GLU H H 8.40 0.02 1 843 . 98 GLU HA H 4.28 0.02 1 844 . 98 GLU HB2 H 2.07 0.02 2 845 . 98 GLU HG2 H 2.26 0.02 2 846 . 98 GLU C C 176.3 0.05 1 847 . 98 GLU CA C 56.4 0.05 1 848 . 98 GLU CB C 29.5 0.05 1 849 . 98 GLU CG C 35.9 0.05 1 850 . 98 GLU N N 122.2 0.05 1 851 . 99 ASN H H 8.41 0.02 1 852 . 99 ASN HA H 4.64 0.02 1 853 . 99 ASN HB2 H 2.85 0.02 2 854 . 99 ASN HB3 H 2.73 0.02 2 855 . 99 ASN C C 175.1 0.05 1 856 . 99 ASN CA C 52.9 0.05 1 857 . 99 ASN CB C 38.3 0.05 1 858 . 99 ASN N N 119.0 0.05 1 859 . 100 GLN H H 8.32 0.02 1 860 . 100 GLN HA H 4.29 0.02 1 861 . 100 GLN HB2 H 2.12 0.02 2 862 . 100 GLN HB3 H 1.97 0.02 2 863 . 100 GLN HG2 H 2.37 0.02 2 864 . 100 GLN C C 175.7 0.05 1 865 . 100 GLN CA C 55.5 0.05 1 866 . 100 GLN CB C 28.9 0.05 1 867 . 100 GLN CG C 28.5 0.05 1 868 . 100 GLN N N 120.9 0.05 1 869 . 101 ALA H H 8.37 0.02 1 870 . 101 ALA HA H 4.36 0.02 1 871 . 101 ALA HB H 1.39 0.02 1 872 . 101 ALA C C 177.8 0.05 1 873 . 101 ALA CA C 52.1 0.05 1 874 . 101 ALA CB C 18.7 0.05 1 875 . 101 ALA N N 125.3 0.05 1 876 . 102 SER H H 8.33 0.02 1 877 . 102 SER HA H 4.43 0.02 1 878 . 102 SER HB2 H 3.88 0.02 1 879 . 102 SER C C 174.8 0.05 1 880 . 102 SER CA C 57.8 0.05 1 881 . 102 SER CB C 63.3 0.05 1 882 . 102 SER N N 115.4 0.05 1 883 . 103 GLU H H 8.49 0.02 1 884 . 103 GLU HA H 4.32 0.02 1 885 . 103 GLU HB2 H 2.10 0.02 1 886 . 103 GLU HB3 H 1.95 0.02 2 887 . 103 GLU C C 176.6 0.05 1 888 . 103 GLU CA C 56.2 0.05 1 889 . 103 GLU CB C 29.5 0.05 1 890 . 103 GLU CG C 35.8 0.05 1 891 . 103 GLU N N 122.6 0.05 1 892 . 104 GLU H H 8.38 0.02 1 893 . 104 GLU HA H 4.65 0.02 1 894 . 104 GLU HG2 H 2.31 0.02 2 895 . 104 GLU C C 176.6 0.05 1 896 . 104 GLU CA C 56.1 0.05 1 897 . 104 GLU CB C 29.6 0.05 1 898 . 104 GLU CG C 35.7 0.05 1 899 . 104 GLU N N 121.0 0.05 1 900 . 105 GLU H H 8.40 0.02 1 901 . 105 GLU HA H 4.27 0.02 1 902 . 105 GLU HB2 H 1.96 0.02 2 903 . 105 GLU HB3 H 2.05 0.02 2 904 . 105 GLU HG2 H 2.30 0.02 2 905 . 105 GLU C C 176.4 0.05 1 906 . 105 GLU CA C 55.2 0.05 1 907 . 105 GLU CB C 28.8 0.05 1 908 . 105 GLU CG C 35.7 0.05 1 909 . 105 GLU N N 121.6 0.05 1 910 . 106 ASP H H 8.40 0.02 1 911 . 106 ASP HA H 4.59 0.02 1 912 . 106 ASP HB2 H 2.68 0.02 2 913 . 106 ASP C C 176.6 0.05 1 914 . 106 ASP CA C 53.8 0.05 1 915 . 106 ASP CB C 40.5 0.05 1 916 . 106 ASP N N 121.4 0.05 1 917 . 107 GLU H H 8.45 0.02 1 918 . 107 GLU HA H 4.25 0.02 1 919 . 107 GLU HB2 H 1.97 0.02 2 920 . 107 GLU HG2 H 2.83 0.02 2 921 . 107 GLU C C 176.9 0.05 1 922 . 107 GLU CA C 56.5 0.05 1 923 . 107 GLU CB C 29.2 0.05 1 924 . 107 GLU CG C 35.8 0.05 1 925 . 107 GLU N N 121.4 0.05 1 926 . 108 LEU H H 8.26 0.02 1 927 . 108 LEU HA H 4.30 0.02 1 928 . 108 LEU HB2 H 1.72 0.02 2 929 . 108 LEU HB3 H 1.57 0.02 2 930 . 108 LEU HD1 H 0.89 0.02 2 931 . 108 LEU C C 178.3 0.05 1 932 . 108 LEU CA C 55.0 0.05 1 933 . 108 LEU CB C 41.6 0.05 1 934 . 108 LEU CG C 24.6 0.05 1 935 . 108 LEU CD1 C 22.7 0.05 1 936 . 108 LEU N N 121.6 0.05 1 937 . 109 GLY H H 8.29 0.02 2 938 . 109 GLY HA2 H 3.90 0.02 2 939 . 109 GLY C C 174.6 0.05 1 940 . 109 GLY CA C 45.3 0.05 1 941 . 109 GLY N N 108.9 0.05 1 942 . 110 GLU H H 8.28 0.02 1 943 . 110 GLU HA H 4.23 0.02 1 944 . 110 GLU HB2 H 1.99 0.02 2 945 . 110 GLU HG2 H 2.26 0.02 2 946 . 110 GLU C C 176.8 0.05 1 947 . 110 GLU CA C 56.3 0.05 1 948 . 110 GLU CB C 29.5 0.05 1 949 . 110 GLU CG C 35.7 0.05 1 950 . 110 GLU N N 120.6 0.05 1 951 . 111 LEU H H 8.24 0.02 1 952 . 111 LEU HA H 2.29 0.02 2 953 . 111 LEU HB2 H 1.56 0.02 2 954 . 111 LEU HB3 H 1.67 0.02 2 955 . 111 LEU HD1 H 0.88 0.02 2 956 . 111 LEU C C 177.7 0.05 1 957 . 111 LEU CA C 55.0 0.05 1 958 . 111 LEU CB C 41.2 0.05 1 959 . 111 LEU CG C 24.6 0.05 1 960 . 111 LEU CD1 C 23.0 0.05 1 961 . 111 LEU N N 122.3 0.05 1 962 . 112 ARG H H 8.21 0.02 1 963 . 112 ARG HA H 4.24 0.02 1 964 . 112 ARG HB2 H 1.78 0.02 2 965 . 112 ARG HG2 H 1.62 0.02 2 966 . 112 ARG HD2 H 3.15 0.02 2 967 . 112 ARG C C 176.6 0.05 1 968 . 112 ARG CA C 55.8 0.05 1 969 . 112 ARG CB C 30.3 0.05 1 970 . 112 ARG CG C 26.6 0.05 1 971 . 112 ARG CD C 43.2 0.05 1 972 . 112 ARG N N 121.5 0.05 1 973 . 113 GLU H H 8.34 0.02 1 974 . 113 GLU HA H 4.23 0.02 1 975 . 113 GLU HB2 H 1.97 0.02 2 976 . 113 GLU HB3 H 2.02 0.02 2 977 . 113 GLU HG2 H 2.47 0.02 2 978 . 113 GLU C C 176.6 0.05 1 979 . 113 GLU CA C 56.0 0.05 1 980 . 113 GLU CB C 29.4 0.05 1 981 . 113 GLU N N 121.2 0.05 1 982 . 114 LEU HA H 4.27 0.02 1 983 . 114 LEU HB2 H 1.64 0.02 2 984 . 114 LEU HB3 H 1.49 0.02 2 985 . 114 LEU HD1 H 0.86 0.02 2 986 . 114 LEU C C 177.8 0.05 1 987 . 114 LEU CA C 55.0 0.05 1 988 . 114 LEU CB C 41.9 0.05 1 989 . 114 LEU CG C 24.6 0.05 1 990 . 114 LEU CD1 C 22.7 0.05 1 991 . 115 GLY H H 8.24 0.02 1 992 . 115 GLY HA2 H 3.85 0.02 2 993 . 115 GLY C C 173.4 0.05 1 994 . 115 GLY CA C 44.6 0.05 1 995 . 115 GLY N N 108.4 0.05 1 996 . 116 TYR H H 7.91 0.02 1 997 . 116 TYR HA H 4.79 0.02 1 998 . 116 TYR HB2 H 3.04 0.02 2 999 . 116 TYR HB3 H 2.85 0.02 2 1000 . 116 TYR C C 174.0 0.05 1 1001 . 116 TYR CA C 55.2 0.05 1 1002 . 116 TYR CB C 37.6 0.05 1 1003 . 116 TYR N N 120.7 0.05 1 1004 . 117 PRO HA H 4.42 0.02 1 1005 . 117 PRO HB2 H 2.25 0.02 2 1006 . 117 PRO HB3 H 1.95 0.02 2 1007 . 117 PRO C C 176.1 0.05 1 1008 . 117 PRO CA C 62.6 0.05 1 1009 . 117 PRO CB C 31.1 0.05 1 1010 . 117 PRO CG C 26.9 0.05 1 1011 . 117 PRO CD C 50.6 0.05 1 1012 . 118 GLN H H 8.04 0.02 1 1013 . 118 GLN HA H 4.17 0.02 1 1014 . 118 GLN HB2 H 2.11 0.02 2 1015 . 118 GLN HB3 H 1.91 0.02 2 1016 . 118 GLN HG2 H 2.31 0.02 2 1017 . 118 GLN C C 172.7 0.05 1 1018 . 118 GLN CA C 56.7 0.05 1 1019 . 118 GLN CB C 30.1 0.05 1 1020 . 118 GLN N N 125.9 0.05 1 stop_ save_