data_6162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full 1H, 13C and 15N Chemical Shift Assignments for the GII Domain of the yeast Linker Histone, Hho1p ; _BMRB_accession_number 6162 _BMRB_flat_file_name bmr6162.str _Entry_type original _Submission_date 2004-04-01 _Accession_date 2004-04-01 _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 Coles Patrick . . 2 Thomas Jean O. . 3 Stott Katherine . . 4 Stevens Timothy J. . 5 Ali Tariq . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 528 "13C chemical shifts" 299 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author 'Original release' 2005-02-07 update BMRB 'Updated the relationship loop' stop_ loop_ _Related_BMRB_accession_number _Relationship 6161 'domain I' 6476 'GII loop mutant, GII-L' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Two homologous domains of similar structure but different stability in the yeast linker histone, Hho1p' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15050829 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ali Tariq . . 2 Coles Patrick . . 3 Stevens Timothy J. . 4 Stott Katherine . . 5 Thomas Jean O. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 338 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 148 _Year 2004 _Details . loop_ _Keyword 'DNA-binding domain' 'intrinsically unstructured domain' 'linker histone' 'winged helix' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Ali T, Coles P, Stevens TJ, Stott K, Thomas JO. J Mol Biol. 2004 Apr 16;338(1):139-48. ; _Citation_title 'Two homologous domains of similar structure but different stability in the yeast linker histone, Hho1p.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15050829 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ali Tariq . . 2 Coles Patrick . . 3 Stevens Timothy J. . 4 Stott Katherine . . 5 Thomas Jean O. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 338 _Journal_issue 1 _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 139 _Page_last 148 _Year 2004 _Details ; The Saccharomyces cerevisiae homologue of the linker histone H1, Hho1p, has two domains that are similar in sequence to the globular domain of H1 (and variants such as H5). It is an open question whether both domains are functional and whether they play similar structural roles. Preliminary structural studies showed that the two isolated domains, GI and GII, differ significantly in stability. In 10 mM sodium phosphate (pH 7), the GI domain, like the globular domains of H1 and H5, GH1 and GH5, was stably folded, whereas GII was largely unstructured. However, at high concentrations of large tetrahedral anions (phosphate, sulphate, perchlorate), which might mimic the charge-screening effects of DNA phosphate groups, GII was folded. In view of the potential significance of these observations in relation to the role of Hho1p, we have now determined the structures of its GI and GII domains by NMR spectroscopy under conditions in which GII (like GI) is folded. The backbone r.m.s.d. over the ordered residues is 0.43 A for GI and 0.97 A for GII. Both structures show the "winged-helix" fold typical of GH1 and GH5 and are very similar to each other, with an r.m.s.d. over the structured regions of 1.3 A, although there are distinct differences. The potential for GII to adopt a structure similar to that of GI when Hho1p is bound to chromatin in vivo suggests that both globular domains might be functional. Whether Hho1p performs a structural role by bridging two nucleosomes remains to be determined. ; save_ ################################## # Molecular system description # ################################## save_system_Hho1p_GII _Saveframe_category molecular_system _Mol_system_name 'Yeast linker histone globular domain II' _Abbreviation_common 'Hho1p GII' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hho1p GII' $Hho1p_GII stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'DNA-binding domain' 'linker histone' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hho1p_GII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Yeast linker histone globular domain II' _Abbreviation_common 'Hho1p GII' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; KASSPSSLTYKEMILKSMPQ LNDGKGSSRIVLKKYVKDTF SSKLKTSSNFDYLFNSAIKK CVENGELVQPKGPSGIIKLN KKKVKLST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 171 LYS 2 172 ALA 3 173 SER 4 174 SER 5 175 PRO 6 176 SER 7 177 SER 8 178 LEU 9 179 THR 10 180 TYR 11 181 LYS 12 182 GLU 13 183 MET 14 184 ILE 15 185 LEU 16 186 LYS 17 187 SER 18 188 MET 19 189 PRO 20 190 GLN 21 191 LEU 22 192 ASN 23 193 ASP 24 194 GLY 25 195 LYS 26 196 GLY 27 197 SER 28 198 SER 29 199 ARG 30 200 ILE 31 201 VAL 32 202 LEU 33 203 LYS 34 204 LYS 35 205 TYR 36 206 VAL 37 207 LYS 38 208 ASP 39 209 THR 40 210 PHE 41 211 SER 42 212 SER 43 213 LYS 44 214 LEU 45 215 LYS 46 216 THR 47 217 SER 48 218 SER 49 219 ASN 50 220 PHE 51 221 ASP 52 222 TYR 53 223 LEU 54 224 PHE 55 225 ASN 56 226 SER 57 227 ALA 58 228 ILE 59 229 LYS 60 230 LYS 61 231 CYS 62 232 VAL 63 233 GLU 64 234 ASN 65 235 GLY 66 236 GLU 67 237 LEU 68 238 VAL 69 239 GLN 70 240 PRO 71 241 LYS 72 242 GLY 73 243 PRO 74 244 SER 75 245 GLY 76 246 ILE 77 247 ILE 78 248 LYS 79 249 LEU 80 250 ASN 81 251 LYS 82 252 LYS 83 253 LYS 84 254 VAL 85 255 LYS 86 256 LEU 87 257 SER 88 258 THR 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 PDB 1USS "Yeast Histone H1 Globular Domain Ii, Hho1p Gii, Solution Nmr Structures" 100.00 88 100.00 100.00 5.54e-53 GB EDZ68914 "YPL127Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 86.36 76 100.00 100.00 1.62e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Hho1p_GII 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae hho1 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 $Hho1p_GII '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 $Hho1p_GII 1.0 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 250 mM . EDTA 1 mM . DTT 1 mM . DSS 10 mM . D2O 99.8 % . stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Task 'Spectrum processing' stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task Assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY-15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-15N-HSQC _Sample_label $sample_1 save_ save_15N-HSQC-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-TOCSY _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_(H)CC(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $sample_1 save_ save_HC(C)H-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label $sample_1 save_ save_NOESY-13C-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-13C-HSQC _Sample_label $sample_1 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' 0.250 . M pH 7.0 0.2 pH temperature 288 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 0.00 external indirect . . . 0.404808636 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 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 'Hho1p GII' _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 1 171 1 LYS CA C 56.15 0.12 1 2 171 1 LYS CB C 33.01 0.12 1 3 171 1 LYS CD C 29.10 0.12 1 4 171 1 LYS CE C 41.84 0.12 1 5 171 1 LYS CG C 24.38 0.12 1 6 172 2 ALA CA C 52.26 0.12 1 7 172 2 ALA CB C 19.17 0.12 1 8 172 2 ALA H H 8.63 0.03 1 9 172 2 ALA HA H 4.33 0.03 1 10 172 2 ALA HB H 1.40 0.03 1 11 172 2 ALA N N 126.32 0.15 1 12 173 3 SER CA C 58.08 0.12 1 13 173 3 SER CB C 63.68 0.12 1 14 173 3 SER H H 8.46 0.03 1 15 173 3 SER HA H 4.44 0.03 1 16 173 3 SER HB2 H 3.85 0.03 1 17 173 3 SER HB3 H 3.85 0.03 1 18 173 3 SER N N 115.53 0.15 1 19 174 4 SER CA C 56.37 0.12 1 20 174 4 SER CB C 63.00 0.12 1 21 174 4 SER H H 8.49 0.03 1 22 174 4 SER HA H 4.79 0.03 1 23 174 4 SER HB2 H 3.86 0.03 1 24 174 4 SER HB3 H 3.86 0.03 1 25 174 4 SER N N 118.67 0.15 1 26 175 5 PRO CA C 63.32 0.12 1 27 175 5 PRO CB C 32.10 0.12 1 28 175 5 PRO CD C 50.62 0.12 1 29 175 5 PRO CG C 27.12 0.12 1 30 175 5 PRO HA H 4.49 0.03 1 31 175 5 PRO HB2 H 1.97 0.03 2 32 175 5 PRO HB3 H 2.33 0.03 2 33 175 5 PRO HD2 H 3.85 0.03 2 34 175 5 PRO HD3 H 3.75 0.03 2 35 175 5 PRO HG2 H 2.03 0.03 1 36 175 5 PRO HG3 H 2.03 0.03 1 37 176 6 SER CA C 58.41 0.12 1 38 176 6 SER CB C 63.86 0.12 1 39 176 6 SER H H 8.56 0.03 1 40 176 6 SER HA H 4.47 0.03 1 41 176 6 SER HB2 H 3.95 0.03 1 42 176 6 SER HB3 H 3.95 0.03 1 43 176 6 SER N N 115.76 0.15 1 44 177 7 SER CA C 58.58 0.12 1 45 177 7 SER CB C 63.56 0.12 1 46 177 7 SER H H 8.47 0.03 1 47 177 7 SER HA H 4.46 0.03 1 48 177 7 SER HB2 H 3.87 0.03 1 49 177 7 SER HB3 H 3.87 0.03 1 50 177 7 SER N N 117.56 0.15 1 51 178 8 LEU CA C 55.17 0.12 1 52 178 8 LEU CB C 43.17 0.12 1 53 178 8 LEU CD1 C 24.98 0.12 2 54 178 8 LEU CD2 C 24.46 0.12 2 55 178 8 LEU CG C 27.05 0.12 1 56 178 8 LEU H H 8.09 0.03 1 57 178 8 LEU HA H 4.45 0.03 1 58 178 8 LEU HB2 H 1.47 0.03 1 59 178 8 LEU HB3 H 1.47 0.03 1 60 178 8 LEU HD1 H 0.78 0.03 2 61 178 8 LEU HD2 H 0.76 0.03 2 62 178 8 LEU HG H 1.58 0.03 1 63 178 8 LEU N N 123.53 0.15 1 64 179 9 THR CA C 61.43 0.12 1 65 179 9 THR CB C 70.53 0.12 1 66 179 9 THR CG2 C 21.80 0.12 1 67 179 9 THR H H 8.41 0.03 1 68 179 9 THR HA H 4.37 0.03 1 69 179 9 THR HB H 4.62 0.03 1 70 179 9 THR HG2 H 1.31 0.03 1 71 179 9 THR N N 113.70 0.15 1 72 180 10 TYR CA C 62.40 0.12 1 73 180 10 TYR CB C 38.01 0.12 1 74 180 10 TYR H H 8.76 0.03 1 75 180 10 TYR HA H 4.05 0.03 1 76 180 10 TYR HB2 H 2.94 0.03 2 77 180 10 TYR HB3 H 2.42 0.03 2 78 180 10 TYR N N 120.84 0.15 1 79 181 11 LYS CA C 60.66 0.12 1 80 181 11 LYS CB C 32.03 0.12 1 81 181 11 LYS CD C 29.73 0.12 1 82 181 11 LYS CE C 41.70 0.12 1 83 181 11 LYS CG C 24.97 0.12 1 84 181 11 LYS H H 8.39 0.03 1 85 181 11 LYS HA H 3.57 0.03 1 86 181 11 LYS HB2 H 1.67 0.03 2 87 181 11 LYS HB3 H 1.88 0.03 2 88 181 11 LYS HD2 H 1.62 0.03 1 89 181 11 LYS HD3 H 1.62 0.03 1 90 181 11 LYS HE2 H 2.86 0.03 1 91 181 11 LYS HE3 H 2.86 0.03 1 92 181 11 LYS HG2 H 1.19 0.03 1 93 181 11 LYS HG3 H 1.19 0.03 1 94 181 11 LYS N N 118.40 0.15 1 95 182 12 GLU CA C 59.20 0.12 1 96 182 12 GLU CB C 29.94 0.12 1 97 182 12 GLU CG C 36.86 0.12 1 98 182 12 GLU H H 7.63 0.03 1 99 182 12 GLU HA H 3.85 0.03 1 100 182 12 GLU HB2 H 1.84 0.03 2 101 182 12 GLU HB3 H 2.16 0.03 2 102 182 12 GLU HG2 H 2.17 0.03 2 103 182 12 GLU HG3 H 2.25 0.03 2 104 182 12 GLU N N 116.46 0.15 1 105 183 13 MET CA C 59.70 0.12 1 106 183 13 MET CB C 33.06 0.12 1 107 183 13 MET CE C 16.73 0.12 1 108 183 13 MET CG C 32.25 0.12 1 109 183 13 MET H H 8.06 0.03 1 110 183 13 MET HA H 3.36 0.03 1 111 183 13 MET HB2 H 1.97 0.03 2 112 183 13 MET HB3 H 1.35 0.03 2 113 183 13 MET HE H 1.26 0.03 1 114 183 13 MET HG2 H 2.15 0.03 2 115 183 13 MET HG3 H 0.91 0.03 2 116 183 13 MET N N 116.87 0.15 1 117 184 14 ILE CA C 66.16 0.12 1 118 184 14 ILE CB C 38.17 0.12 1 119 184 14 ILE CD1 C 14.65 0.12 1 120 184 14 ILE CG1 C 30.61 0.12 1 121 184 14 ILE CG2 C 17.67 0.12 1 122 184 14 ILE H H 8.19 0.03 1 123 184 14 ILE HA H 3.50 0.03 1 124 184 14 ILE HB H 1.90 0.03 1 125 184 14 ILE HD1 H 0.48 0.03 1 126 184 14 ILE HG12 H 0.89 0.03 2 127 184 14 ILE HG13 H 1.78 0.03 2 128 184 14 ILE HG2 H 0.79 0.03 1 129 184 14 ILE N N 120.20 0.15 1 130 185 15 LEU CA C 58.21 0.12 1 131 185 15 LEU CB C 40.11 0.12 1 132 185 15 LEU CD1 C 21.99 0.12 2 133 185 15 LEU CD2 C 25.64 0.12 2 134 185 15 LEU CG C 26.47 0.12 1 135 185 15 LEU H H 8.53 0.03 1 136 185 15 LEU HA H 3.96 0.03 1 137 185 15 LEU HB2 H 1.80 0.03 2 138 185 15 LEU HB3 H 1.38 0.03 2 139 185 15 LEU HD1 H 0.74 0.03 2 140 185 15 LEU HD2 H 0.80 0.03 2 141 185 15 LEU HG H 1.87 0.03 1 142 185 15 LEU N N 118.34 0.15 1 143 186 16 LYS CA C 58.09 0.12 1 144 186 16 LYS CB C 32.78 0.12 1 145 186 16 LYS CD C 29.28 0.12 1 146 186 16 LYS CE C 41.82 0.12 1 147 186 16 LYS CG C 25.48 0.12 1 148 186 16 LYS H H 8.36 0.03 1 149 186 16 LYS HA H 4.19 0.03 1 150 186 16 LYS HB2 H 1.97 0.03 1 151 186 16 LYS HB3 H 1.97 0.03 1 152 186 16 LYS HD2 H 1.69 0.03 1 153 186 16 LYS HD3 H 1.69 0.03 1 154 186 16 LYS HE2 H 3.00 0.03 1 155 186 16 LYS HE3 H 3.00 0.03 1 156 186 16 LYS HG2 H 1.61 0.03 1 157 186 16 LYS HG3 H 1.61 0.03 1 158 186 16 LYS N N 116.38 0.15 1 159 187 17 SER CA C 61.98 0.12 1 160 187 17 SER CB C 63.23 0.12 1 161 187 17 SER H H 7.58 0.03 1 162 187 17 SER HA H 4.43 0.03 1 163 187 17 SER HB2 H 4.14 0.03 2 164 187 17 SER HB3 H 3.74 0.03 2 165 187 17 SER N N 115.08 0.15 1 166 188 18 MET CA C 57.83 0.12 1 167 188 18 MET CB C 28.99 0.12 1 168 188 18 MET CE C 16.06 0.12 1 169 188 18 MET CG C 31.89 0.12 1 170 188 18 MET H H 7.50 0.03 1 171 188 18 MET HA H 4.43 0.03 1 172 188 18 MET HB2 H 1.65 0.03 1 173 188 18 MET HB3 H 1.65 0.03 1 174 188 18 MET HE H 1.90 0.03 1 175 188 18 MET HG2 H 2.82 0.03 2 176 188 18 MET HG3 H 2.47 0.03 2 177 188 18 MET N N 117.62 0.15 1 178 189 19 PRO CA C 65.12 0.12 1 179 189 19 PRO CB C 31.53 0.12 1 180 189 19 PRO CD C 50.97 0.12 1 181 189 19 PRO CG C 28.16 0.12 1 182 189 19 PRO HA H 4.26 0.03 1 183 189 19 PRO HB2 H 1.76 0.03 2 184 189 19 PRO HB3 H 2.39 0.03 2 185 189 19 PRO HD2 H 3.54 0.03 2 186 189 19 PRO HD3 H 3.73 0.03 2 187 189 19 PRO HG2 H 1.88 0.03 2 188 189 19 PRO HG3 H 2.07 0.03 2 189 190 20 GLN CA C 55.11 0.12 1 190 190 20 GLN CB C 28.93 0.12 1 191 190 20 GLN CG C 33.59 0.12 1 192 190 20 GLN H H 7.38 0.03 1 193 190 20 GLN HA H 4.24 0.03 1 194 190 20 GLN HB2 H 1.97 0.03 2 195 190 20 GLN HB3 H 2.31 0.03 2 196 190 20 GLN HE21 H 6.98 0.03 1 197 190 20 GLN HE22 H 7.58 0.03 1 198 190 20 GLN HG2 H 2.59 0.03 2 199 190 20 GLN HG3 H 2.37 0.03 2 200 190 20 GLN N N 110.81 0.15 1 201 190 20 GLN NE2 N 111.97 0.15 1 202 191 21 LEU CA C 53.22 0.12 1 203 191 21 LEU CB C 43.21 0.12 1 204 191 21 LEU CD1 C 25.54 0.12 2 205 191 21 LEU CD2 C 23.13 0.12 2 206 191 21 LEU CG C 25.80 0.12 1 207 191 21 LEU H H 7.12 0.03 1 208 191 21 LEU HA H 4.35 0.03 1 209 191 21 LEU HB2 H 1.46 0.03 2 210 191 21 LEU HB3 H 1.14 0.03 2 211 191 21 LEU HD1 H 0.45 0.03 2 212 191 21 LEU HD2 H 0.66 0.03 2 213 191 21 LEU HG H 1.08 0.03 1 214 191 21 LEU N N 119.78 0.15 1 215 192 22 ASN CA C 53.76 0.12 1 216 192 22 ASN CB C 36.98 0.12 1 217 192 22 ASN H H 9.63 0.03 1 218 192 22 ASN HA H 4.36 0.03 1 219 192 22 ASN HB2 H 3.07 0.03 2 220 192 22 ASN HB3 H 2.77 0.03 2 221 192 22 ASN HD21 H 6.88 0.03 1 222 192 22 ASN HD22 H 7.94 0.03 1 223 192 22 ASN N N 124.04 0.15 1 224 192 22 ASN ND2 N 111.96 0.15 1 225 193 23 ASP CA C 55.39 0.12 1 226 193 23 ASP CB C 40.24 0.12 1 227 193 23 ASP H H 8.87 0.03 1 228 193 23 ASP HA H 4.29 0.03 1 229 193 23 ASP HB2 H 2.98 0.03 2 230 193 23 ASP HB3 H 2.63 0.03 2 231 193 23 ASP N N 113.51 0.15 1 232 194 24 GLY CA C 46.19 0.12 1 233 194 24 GLY H H 7.93 0.03 1 234 194 24 GLY HA2 H 3.96 0.03 2 235 194 24 GLY HA3 H 4.12 0.03 2 236 194 24 GLY N N 104.72 0.15 1 237 195 25 LYS CA C 56.92 0.12 1 238 195 25 LYS CB C 31.97 0.12 1 239 195 25 LYS CD C 28.88 0.12 1 240 195 25 LYS CE C 41.93 0.12 1 241 195 25 LYS CG C 25.13 0.12 1 242 195 25 LYS H H 7.89 0.03 1 243 195 25 LYS HA H 4.26 0.03 1 244 195 25 LYS HB2 H 1.79 0.03 1 245 195 25 LYS HB3 H 1.79 0.03 1 246 195 25 LYS HD2 H 1.68 0.03 1 247 195 25 LYS HD3 H 1.68 0.03 1 248 195 25 LYS HE2 H 2.99 0.03 1 249 195 25 LYS HE3 H 2.99 0.03 1 250 195 25 LYS HG2 H 1.42 0.03 1 251 195 25 LYS HG3 H 1.42 0.03 1 252 195 25 LYS N N 118.41 0.15 1 253 196 26 GLY CA C 44.74 0.12 1 254 196 26 GLY H H 8.17 0.03 1 255 196 26 GLY HA2 H 3.99 0.03 2 256 196 26 GLY HA3 H 4.45 0.03 2 257 196 26 GLY N N 109.20 0.15 1 258 197 27 SER CA C 57.24 0.12 1 259 197 27 SER CB C 66.90 0.12 1 260 197 27 SER H H 8.73 0.03 1 261 197 27 SER HA H 4.78 0.03 1 262 197 27 SER HB2 H 3.42 0.03 2 263 197 27 SER HB3 H 3.55 0.03 2 264 197 27 SER N N 113.51 0.15 1 265 198 28 SER CA C 57.33 0.12 1 266 198 28 SER CB C 64.33 0.12 1 267 198 28 SER H H 8.86 0.03 1 268 198 28 SER HA H 4.64 0.03 1 269 198 28 SER HB2 H 4.32 0.03 2 270 198 28 SER HB3 H 3.99 0.03 2 271 198 28 SER N N 119.12 0.15 1 272 199 29 ARG CA C 60.63 0.12 1 273 199 29 ARG CB C 30.27 0.12 1 274 199 29 ARG CD C 43.27 0.12 1 275 199 29 ARG CG C 28.47 0.12 1 276 199 29 ARG H H 9.43 0.03 1 277 199 29 ARG HA H 3.91 0.03 1 278 199 29 ARG HB2 H 2.00 0.03 2 279 199 29 ARG HB3 H 2.02 0.03 2 280 199 29 ARG HD2 H 3.37 0.03 1 281 199 29 ARG HD3 H 3.37 0.03 1 282 199 29 ARG HG2 H 1.74 0.03 1 283 199 29 ARG HG3 H 1.74 0.03 1 284 199 29 ARG N N 123.12 0.15 1 285 200 30 ILE CA C 64.06 0.12 1 286 200 30 ILE CB C 38.10 0.12 1 287 200 30 ILE CD1 C 13.26 0.12 1 288 200 30 ILE CG1 C 28.71 0.12 1 289 200 30 ILE CG2 C 17.46 0.12 1 290 200 30 ILE H H 8.12 0.03 1 291 200 30 ILE HA H 3.89 0.03 1 292 200 30 ILE HB H 1.83 0.03 1 293 200 30 ILE HD1 H 0.94 0.03 1 294 200 30 ILE HG12 H 1.29 0.03 2 295 200 30 ILE HG13 H 1.58 0.03 2 296 200 30 ILE HG2 H 0.98 0.03 1 297 200 30 ILE N N 116.28 0.15 1 298 201 31 VAL CA C 66.20 0.12 1 299 201 31 VAL CB C 31.77 0.12 1 300 201 31 VAL CG1 C 23.51 0.12 2 301 201 31 VAL CG2 C 21.13 0.12 2 302 201 31 VAL H H 7.25 0.03 1 303 201 31 VAL HA H 3.66 0.03 1 304 201 31 VAL HB H 2.06 0.03 1 305 201 31 VAL HG1 H 1.03 0.03 2 306 201 31 VAL HG2 H 1.04 0.03 2 307 201 31 VAL N N 122.88 0.15 1 308 202 32 LEU CA C 58.02 0.12 1 309 202 32 LEU CB C 41.99 0.12 1 310 202 32 LEU CD1 C 23.42 0.12 2 311 202 32 LEU CD2 C 26.82 0.12 2 312 202 32 LEU CG C 27.80 0.12 1 313 202 32 LEU H H 7.87 0.03 1 314 202 32 LEU HA H 4.19 0.03 1 315 202 32 LEU HB2 H 1.55 0.03 2 316 202 32 LEU HB3 H 2.12 0.03 2 317 202 32 LEU HD1 H 1.03 0.03 2 318 202 32 LEU HD2 H 1.08 0.03 2 319 202 32 LEU HG H 1.85 0.03 1 320 202 32 LEU N N 121.55 0.15 1 321 203 33 LYS CA C 60.32 0.12 1 322 203 33 LYS CB C 32.26 0.12 1 323 203 33 LYS CD C 29.52 0.12 1 324 203 33 LYS CE C 41.91 0.12 1 325 203 33 LYS CG C 25.12 0.12 1 326 203 33 LYS H H 8.69 0.03 1 327 203 33 LYS HA H 3.29 0.03 1 328 203 33 LYS HB2 H 1.52 0.03 2 329 203 33 LYS HB3 H 1.72 0.03 2 330 203 33 LYS HD2 H 1.52 0.03 1 331 203 33 LYS HD3 H 1.52 0.03 1 332 203 33 LYS HE2 H 2.75 0.03 2 333 203 33 LYS HE3 H 2.71 0.03 2 334 203 33 LYS HG2 H 0.35 0.03 2 335 203 33 LYS HG3 H 0.95 0.03 2 336 203 33 LYS N N 118.66 0.15 1 337 204 34 LYS CA C 59.07 0.12 1 338 204 34 LYS CB C 32.40 0.12 1 339 204 34 LYS CD C 29.02 0.12 1 340 204 34 LYS CE C 42.19 0.12 1 341 204 34 LYS CG C 24.92 0.12 1 342 204 34 LYS H H 7.60 0.03 1 343 204 34 LYS HA H 3.85 0.03 1 344 204 34 LYS HB2 H 1.88 0.03 1 345 204 34 LYS HB3 H 1.88 0.03 1 346 204 34 LYS HD2 H 1.63 0.03 1 347 204 34 LYS HD3 H 1.63 0.03 1 348 204 34 LYS HE2 H 2.98 0.03 1 349 204 34 LYS HE3 H 2.98 0.03 1 350 204 34 LYS HG2 H 1.40 0.03 2 351 204 34 LYS HG3 H 1.48 0.03 2 352 204 34 LYS N N 116.90 0.15 1 353 205 35 TYR CA C 62.21 0.12 1 354 205 35 TYR CB C 39.18 0.12 1 355 205 35 TYR H H 8.15 0.03 1 356 205 35 TYR HA H 4.23 0.03 1 357 205 35 TYR HB2 H 3.22 0.03 2 358 205 35 TYR HB3 H 3.21 0.03 2 359 205 35 TYR N N 118.68 0.15 1 360 206 36 VAL CA C 67.02 0.12 1 361 206 36 VAL CB C 32.02 0.12 1 362 206 36 VAL CG1 C 22.51 0.12 2 363 206 36 VAL CG2 C 24.05 0.12 2 364 206 36 VAL H H 9.00 0.03 1 365 206 36 VAL HA H 3.81 0.03 1 366 206 36 VAL HB H 2.45 0.03 1 367 206 36 VAL HG1 H 1.22 0.03 2 368 206 36 VAL HG2 H 1.41 0.03 2 369 206 36 VAL N N 121.39 0.15 1 370 207 37 LYS CA C 59.76 0.12 1 371 207 37 LYS CB C 32.20 0.12 1 372 207 37 LYS CD C 29.08 0.12 1 373 207 37 LYS CE C 41.36 0.12 1 374 207 37 LYS CG C 25.44 0.12 1 375 207 37 LYS H H 8.32 0.03 1 376 207 37 LYS HA H 3.52 0.03 1 377 207 37 LYS HB2 H 1.56 0.03 2 378 207 37 LYS HB3 H 1.61 0.03 2 379 207 37 LYS HD2 H 1.15 0.03 2 380 207 37 LYS HD3 H 1.14 0.03 2 381 207 37 LYS HE2 H 2.37 0.03 1 382 207 37 LYS HE3 H 2.37 0.03 1 383 207 37 LYS HG2 H 0.84 0.03 1 384 207 37 LYS HG3 H 0.84 0.03 1 385 207 37 LYS N N 119.14 0.15 1 386 208 38 ASP CA C 56.51 0.12 1 387 208 38 ASP CB C 40.45 0.12 1 388 208 38 ASP H H 8.35 0.03 1 389 208 38 ASP HA H 4.29 0.03 1 390 208 38 ASP HB2 H 2.59 0.03 2 391 208 38 ASP HB3 H 2.46 0.03 2 392 208 38 ASP N N 116.44 0.15 1 393 209 39 THR CA C 65.67 0.12 1 394 209 39 THR CB C 68.65 0.12 1 395 209 39 THR CG2 C 20.26 0.12 1 396 209 39 THR H H 8.15 0.03 1 397 209 39 THR HA H 3.57 0.03 1 398 209 39 THR HB H 3.26 0.03 1 399 209 39 THR HG2 H 0.22 0.03 1 400 209 39 THR N N 115.62 0.15 1 401 210 40 PHE CA C 57.84 0.12 1 402 210 40 PHE CB C 39.05 0.12 1 403 210 40 PHE H H 7.97 0.03 1 404 210 40 PHE HA H 4.76 0.03 1 405 210 40 PHE HB2 H 2.92 0.03 2 406 210 40 PHE HB3 H 3.33 0.03 2 407 210 40 PHE N N 117.14 0.15 1 408 211 41 SER CA C 61.75 0.12 1 409 211 41 SER CB C 62.88 0.12 1 410 211 41 SER H H 7.41 0.03 1 411 211 41 SER HA H 4.12 0.03 1 412 211 41 SER HB2 H 4.00 0.03 2 413 211 41 SER HB3 H 3.96 0.03 2 414 211 41 SER N N 115.04 0.15 1 415 212 42 SER CA C 60.56 0.12 1 416 212 42 SER CB C 62.47 0.12 1 417 212 42 SER H H 8.68 0.03 1 418 212 42 SER HA H 4.29 0.03 1 419 212 42 SER HB2 H 3.92 0.03 2 420 212 42 SER HB3 H 3.97 0.03 2 421 212 42 SER N N 116.14 0.15 1 422 213 43 LYS CA C 56.01 0.12 1 423 213 43 LYS CB C 32.84 0.12 1 424 213 43 LYS CD C 28.38 0.12 1 425 213 43 LYS CE C 42.25 0.12 1 426 213 43 LYS CG C 24.85 0.12 1 427 213 43 LYS H H 7.96 0.03 1 428 213 43 LYS HA H 4.42 0.03 1 429 213 43 LYS HB2 H 2.04 0.03 2 430 213 43 LYS HB3 H 1.88 0.03 2 431 213 43 LYS HD2 H 1.67 0.03 1 432 213 43 LYS HD3 H 1.67 0.03 1 433 213 43 LYS HE2 H 2.99 0.03 1 434 213 43 LYS HE3 H 2.99 0.03 1 435 213 43 LYS HG2 H 1.51 0.03 1 436 213 43 LYS HG3 H 1.51 0.03 1 437 213 43 LYS N N 119.65 0.15 1 438 214 44 LEU CA C 54.97 0.12 1 439 214 44 LEU CB C 42.56 0.12 1 440 214 44 LEU CD1 C 25.80 0.12 2 441 214 44 LEU CD2 C 22.64 0.12 2 442 214 44 LEU CG C 26.38 0.12 1 443 214 44 LEU H H 7.61 0.03 1 444 214 44 LEU HA H 4.41 0.03 1 445 214 44 LEU HB2 H 1.57 0.03 2 446 214 44 LEU HB3 H 1.71 0.03 2 447 214 44 LEU HD1 H 0.82 0.03 1 448 214 44 LEU HD2 H 0.82 0.03 1 449 214 44 LEU HG H 1.71 0.03 1 450 214 44 LEU N N 118.77 0.15 1 451 215 45 LYS CA C 57.97 0.12 1 452 215 45 LYS CB C 32.33 0.12 1 453 215 45 LYS CD C 29.23 0.12 1 454 215 45 LYS CE C 41.82 0.12 1 455 215 45 LYS CG C 24.81 0.12 1 456 215 45 LYS H H 8.31 0.03 1 457 215 45 LYS HA H 4.19 0.03 1 458 215 45 LYS HB2 H 1.92 0.03 1 459 215 45 LYS HB3 H 1.92 0.03 1 460 215 45 LYS HD2 H 1.68 0.03 1 461 215 45 LYS HD3 H 1.68 0.03 1 462 215 45 LYS HE2 H 2.97 0.03 1 463 215 45 LYS HE3 H 2.97 0.03 1 464 215 45 LYS HG2 H 1.50 0.03 1 465 215 45 LYS HG3 H 1.50 0.03 1 466 215 45 LYS N N 120.53 0.15 1 467 216 46 THR CA C 61.04 0.12 1 468 216 46 THR CB C 69.01 0.12 1 469 216 46 THR CG2 C 21.19 0.12 1 470 216 46 THR H H 7.97 0.03 1 471 216 46 THR HA H 4.48 0.03 1 472 216 46 THR HB H 4.42 0.03 1 473 216 46 THR HG2 H 1.21 0.03 1 474 216 46 THR N N 110.66 0.15 1 475 217 47 SER CA C 58.34 0.12 1 476 217 47 SER CB C 63.65 0.12 1 477 217 47 SER H H 8.33 0.03 1 478 217 47 SER HA H 4.63 0.03 1 479 217 47 SER HB2 H 4.11 0.03 1 480 217 47 SER HB3 H 4.11 0.03 1 481 217 47 SER N N 118.05 0.15 1 482 218 48 SER CA C 59.69 0.12 1 483 218 48 SER CB C 63.30 0.12 1 484 219 49 ASN CA C 52.33 0.12 1 485 219 49 ASN CB C 38.13 0.12 1 486 219 49 ASN H H 8.71 0.03 1 487 219 49 ASN HA H 4.98 0.03 1 488 219 49 ASN HB2 H 3.03 0.03 2 489 219 49 ASN HB3 H 2.82 0.03 2 490 219 49 ASN HD21 H 6.87 0.03 1 491 219 49 ASN HD22 H 7.68 0.03 1 492 219 49 ASN N N 119.99 0.15 1 493 219 49 ASN ND2 N 111.33 0.15 1 494 220 50 PHE CA C 61.64 0.12 1 495 220 50 PHE CB C 39.85 0.12 1 496 220 50 PHE CZ C 132.74 0.12 1 497 220 50 PHE H H 7.82 0.03 1 498 220 50 PHE HA H 4.34 0.03 1 499 220 50 PHE HB2 H 3.03 0.03 2 500 220 50 PHE HB3 H 3.45 0.03 2 501 220 50 PHE HZ H 7.09 0.03 1 502 220 50 PHE N N 119.19 0.15 1 503 221 51 ASP CA C 58.72 0.12 1 504 221 51 ASP CB C 40.34 0.12 1 505 221 51 ASP H H 8.71 0.03 1 506 221 51 ASP HA H 4.06 0.03 1 507 221 51 ASP HB2 H 2.68 0.03 2 508 221 51 ASP HB3 H 2.63 0.03 2 509 221 51 ASP N N 116.82 0.15 1 510 222 52 TYR CA C 61.06 0.12 1 511 222 52 TYR CB C 38.50 0.12 1 512 222 52 TYR H H 8.09 0.03 1 513 222 52 TYR HA H 4.16 0.03 1 514 222 52 TYR HB2 H 2.81 0.03 2 515 222 52 TYR HB3 H 3.16 0.03 2 516 222 52 TYR N N 119.04 0.15 1 517 223 53 LEU CA C 57.36 0.12 1 518 223 53 LEU CB C 39.74 0.12 1 519 223 53 LEU CD1 C 21.93 0.12 2 520 223 53 LEU CD2 C 21.91 0.12 2 521 223 53 LEU CG C 25.71 0.12 1 522 223 53 LEU H H 8.04 0.03 1 523 223 53 LEU HA H 3.52 0.03 1 524 223 53 LEU HB2 H 0.11 0.03 2 525 223 53 LEU HB3 H 1.12 0.03 2 526 223 53 LEU HD1 H 0.80 0.03 2 527 223 53 LEU HD2 H 0.78 0.03 2 528 223 53 LEU HG H 1.71 0.03 1 529 223 53 LEU N N 121.41 0.15 1 530 224 54 PHE CA C 62.03 0.12 1 531 224 54 PHE CB C 39.40 0.12 1 532 224 54 PHE CZ C 128.65 0.12 1 533 224 54 PHE H H 8.97 0.03 1 534 224 54 PHE HA H 3.76 0.03 1 535 224 54 PHE HB2 H 2.26 0.03 2 536 224 54 PHE HB3 H 2.78 0.03 2 537 224 54 PHE HZ H 7.08 0.03 1 538 224 54 PHE N N 121.73 0.15 1 539 225 55 ASN CA C 55.99 0.12 1 540 225 55 ASN CB C 37.55 0.12 1 541 225 55 ASN H H 8.40 0.03 1 542 225 55 ASN HA H 4.13 0.03 1 543 225 55 ASN HB2 H 2.87 0.03 2 544 225 55 ASN HB3 H 2.65 0.03 2 545 225 55 ASN HD21 H 7.14 0.03 1 546 225 55 ASN HD22 H 7.63 0.03 1 547 225 55 ASN N N 117.13 0.15 1 548 225 55 ASN ND2 N 112.70 0.15 1 549 226 56 SER CA C 61.22 0.12 1 550 226 56 SER CB C 62.41 0.12 1 551 226 56 SER H H 8.11 0.03 1 552 226 56 SER HA H 3.96 0.03 1 553 226 56 SER HB2 H 3.57 0.03 1 554 226 56 SER HB3 H 3.57 0.03 1 555 226 56 SER N N 115.28 0.15 1 556 227 57 ALA CA C 54.77 0.12 1 557 227 57 ALA CB C 18.48 0.12 1 558 227 57 ALA H H 7.59 0.03 1 559 227 57 ALA HA H 4.10 0.03 1 560 227 57 ALA HB H 1.26 0.03 1 561 227 57 ALA N N 123.51 0.15 1 562 228 58 ILE CA C 64.26 0.12 1 563 228 58 ILE CB C 36.14 0.12 1 564 228 58 ILE CD1 C 12.08 0.12 1 565 228 58 ILE CG1 C 27.94 0.12 1 566 228 58 ILE CG2 C 16.58 0.12 1 567 228 58 ILE H H 7.87 0.03 1 568 228 58 ILE HA H 3.29 0.03 1 569 228 58 ILE HB H 1.74 0.03 1 570 228 58 ILE HD1 H 0.40 0.03 1 571 228 58 ILE HG12 H 1.07 0.03 2 572 228 58 ILE HG13 H 0.67 0.03 2 573 228 58 ILE HG2 H 0.66 0.03 1 574 228 58 ILE N N 118.36 0.15 1 575 229 59 LYS CA C 59.74 0.12 1 576 229 59 LYS CB C 32.24 0.12 1 577 229 59 LYS CD C 29.61 0.12 1 578 229 59 LYS CE C 41.83 0.12 1 579 229 59 LYS CG C 24.87 0.12 1 580 229 59 LYS H H 7.53 0.03 1 581 229 59 LYS HA H 3.85 0.03 1 582 229 59 LYS HB2 H 1.87 0.03 1 583 229 59 LYS HB3 H 1.87 0.03 1 584 229 59 LYS HD2 H 1.64 0.03 1 585 229 59 LYS HD3 H 1.64 0.03 1 586 229 59 LYS HE2 H 2.93 0.03 1 587 229 59 LYS HE3 H 2.93 0.03 1 588 229 59 LYS HG2 H 1.47 0.03 2 589 229 59 LYS HG3 H 1.32 0.03 2 590 229 59 LYS N N 118.27 0.15 1 591 230 60 LYS CA C 58.80 0.12 1 592 230 60 LYS CB C 31.76 0.12 1 593 230 60 LYS CD C 28.57 0.12 1 594 230 60 LYS CE C 41.81 0.12 1 595 230 60 LYS CG C 24.85 0.12 1 596 230 60 LYS H H 7.93 0.03 1 597 230 60 LYS HA H 4.10 0.03 1 598 230 60 LYS HB2 H 1.91 0.03 2 599 230 60 LYS HB3 H 1.94 0.03 2 600 230 60 LYS HD2 H 1.65 0.03 1 601 230 60 LYS HD3 H 1.65 0.03 1 602 230 60 LYS HE2 H 2.93 0.03 1 603 230 60 LYS HE3 H 2.93 0.03 1 604 230 60 LYS HG2 H 1.50 0.03 1 605 230 60 LYS HG3 H 1.50 0.03 1 606 230 60 LYS N N 118.61 0.15 1 607 231 61 CYS CA C 63.19 0.12 1 608 231 61 CYS CB C 27.73 0.12 1 609 231 61 CYS H H 8.22 0.03 1 610 231 61 CYS HA H 4.54 0.03 1 611 231 61 CYS HB2 H 2.69 0.03 2 612 231 61 CYS HB3 H 3.12 0.03 2 613 231 61 CYS N N 116.94 0.15 1 614 232 62 VAL CA C 65.19 0.12 1 615 232 62 VAL CB C 31.51 0.12 1 616 232 62 VAL CG1 C 21.23 0.12 2 617 232 62 VAL CG2 C 22.57 0.12 2 618 232 62 VAL H H 8.45 0.03 1 619 232 62 VAL HA H 4.16 0.03 1 620 232 62 VAL HB H 2.16 0.03 1 621 232 62 VAL HG1 H 0.79 0.03 2 622 232 62 VAL HG2 H 0.93 0.03 2 623 232 62 VAL N N 121.81 0.15 1 624 233 63 GLU CA C 59.35 0.12 1 625 233 63 GLU CB C 29.21 0.12 1 626 233 63 GLU CG C 36.22 0.12 1 627 233 63 GLU H H 8.55 0.03 1 628 233 63 GLU HA H 4.01 0.03 1 629 233 63 GLU HB2 H 2.06 0.03 2 630 233 63 GLU HB3 H 2.21 0.03 2 631 233 63 GLU HG2 H 2.26 0.03 2 632 233 63 GLU HG3 H 2.44 0.03 2 633 233 63 GLU N N 122.62 0.15 1 634 234 64 ASN CA C 53.25 0.12 1 635 234 64 ASN CB C 38.84 0.12 1 636 234 64 ASN H H 8.18 0.03 1 637 234 64 ASN HA H 4.72 0.03 1 638 234 64 ASN HB2 H 2.96 0.03 2 639 234 64 ASN HB3 H 2.88 0.03 2 640 234 64 ASN HD21 H 6.96 0.03 1 641 234 64 ASN HD22 H 7.77 0.03 1 642 234 64 ASN N N 113.73 0.15 1 643 234 64 ASN ND2 N 111.62 0.15 1 644 235 65 GLY CA C 45.70 0.12 1 645 235 65 GLY H H 7.82 0.03 1 646 235 65 GLY HA2 H 3.90 0.03 2 647 235 65 GLY HA3 H 4.18 0.03 2 648 235 65 GLY N N 107.14 0.15 1 649 236 66 GLU CA C 58.78 0.12 1 650 236 66 GLU CB C 30.48 0.12 1 651 236 66 GLU CG C 36.79 0.12 1 652 236 66 GLU H H 8.43 0.03 1 653 236 66 GLU HA H 4.16 0.03 1 654 236 66 GLU HB2 H 2.05 0.03 2 655 236 66 GLU HB3 H 2.14 0.03 2 656 236 66 GLU HG2 H 2.12 0.03 2 657 236 66 GLU HG3 H 2.31 0.03 2 658 236 66 GLU N N 118.40 0.15 1 659 237 67 LEU CA C 51.85 0.12 1 660 237 67 LEU CB C 45.96 0.12 1 661 237 67 LEU CD1 C 23.69 0.12 2 662 237 67 LEU CD2 C 25.46 0.12 2 663 237 67 LEU CG C 27.13 0.12 1 664 237 67 LEU H H 7.11 0.03 1 665 237 67 LEU HA H 5.10 0.03 1 666 237 67 LEU HB2 H 1.24 0.03 1 667 237 67 LEU HB3 H 1.24 0.03 1 668 237 67 LEU HD1 H 0.84 0.03 2 669 237 67 LEU HD2 H 0.75 0.03 2 670 237 67 LEU HG H 1.35 0.03 1 671 237 67 LEU N N 113.92 0.15 1 672 238 68 VAL CA C 60.13 0.12 1 673 238 68 VAL CB C 35.21 0.12 1 674 238 68 VAL CG1 C 21.27 0.12 2 675 238 68 VAL CG2 C 19.81 0.12 2 676 238 68 VAL H H 9.13 0.03 1 677 238 68 VAL HA H 4.37 0.03 1 678 238 68 VAL HB H 1.88 0.03 1 679 238 68 VAL HG1 H 0.73 0.03 2 680 238 68 VAL HG2 H 0.80 0.03 2 681 238 68 VAL N N 115.53 0.15 1 682 239 69 GLN CA C 52.59 0.12 1 683 239 69 GLN CB C 30.07 0.12 1 684 239 69 GLN CG C 34.52 0.12 1 685 239 69 GLN H H 8.85 0.03 1 686 239 69 GLN HA H 5.24 0.03 1 687 239 69 GLN HB2 H 1.82 0.03 1 688 239 69 GLN HB3 H 1.82 0.03 1 689 239 69 GLN HE21 H 6.70 0.03 1 690 239 69 GLN HE22 H 7.00 0.03 1 691 239 69 GLN HG2 H 2.22 0.03 2 692 239 69 GLN HG3 H 1.99 0.03 2 693 239 69 GLN N N 122.30 0.15 1 694 239 69 GLN NE2 N 110.30 0.15 1 695 240 70 PRO CA C 64.04 0.12 1 696 240 70 PRO CB C 32.37 0.12 1 697 240 70 PRO CD C 49.99 0.12 1 698 240 70 PRO CG C 27.07 0.12 1 699 240 70 PRO HA H 4.38 0.03 1 700 240 70 PRO HB2 H 1.98 0.03 2 701 240 70 PRO HB3 H 2.33 0.03 2 702 240 70 PRO HD2 H 3.87 0.03 2 703 240 70 PRO HD3 H 3.38 0.03 2 704 240 70 PRO HG2 H 1.86 0.03 2 705 240 70 PRO HG3 H 1.88 0.03 2 706 241 71 LYS CA C 54.37 0.12 1 707 241 71 LYS CB C 32.23 0.12 1 708 241 71 LYS CD C 28.57 0.12 1 709 241 71 LYS CE C 41.92 0.12 1 710 241 71 LYS CG C 24.79 0.12 1 711 241 71 LYS H H 9.18 0.03 1 712 241 71 LYS HA H 4.59 0.03 1 713 241 71 LYS HB2 H 1.70 0.03 1 714 241 71 LYS HB3 H 1.70 0.03 1 715 241 71 LYS HD2 H 1.69 0.03 1 716 241 71 LYS HD3 H 1.69 0.03 1 717 241 71 LYS HE2 H 2.96 0.03 1 718 241 71 LYS HE3 H 2.96 0.03 1 719 241 71 LYS HG2 H 1.46 0.03 2 720 241 71 LYS HG3 H 1.30 0.03 2 721 241 71 LYS N N 119.06 0.15 1 722 242 72 GLY CA C 44.81 0.12 1 723 242 72 GLY H H 7.56 0.03 1 724 242 72 GLY HA2 H 3.96 0.03 2 725 242 72 GLY HA3 H 4.50 0.03 2 726 242 72 GLY N N 107.05 0.15 1 727 243 73 PRO CA C 64.54 0.12 1 728 243 73 PRO CB C 31.90 0.12 1 729 243 73 PRO CD C 49.91 0.12 1 730 243 73 PRO CG C 27.11 0.12 1 731 243 73 PRO HA H 4.30 0.03 1 732 243 73 PRO HB2 H 1.99 0.03 2 733 243 73 PRO HB3 H 2.32 0.03 2 734 243 73 PRO HD2 H 3.76 0.03 2 735 243 73 PRO HD3 H 3.60 0.03 2 736 243 73 PRO HG2 H 2.04 0.03 1 737 243 73 PRO HG3 H 2.04 0.03 1 738 244 74 SER CA C 58.45 0.12 1 739 244 74 SER CB C 63.30 0.12 1 740 244 74 SER H H 8.54 0.03 1 741 244 74 SER HA H 4.62 0.03 1 742 244 74 SER HB2 H 3.97 0.03 1 743 244 74 SER HB3 H 3.97 0.03 1 744 244 74 SER N N 112.95 0.15 1 745 245 75 GLY CA C 44.28 0.12 1 746 245 75 GLY H H 7.65 0.03 1 747 245 75 GLY HA2 H 3.66 0.03 2 748 245 75 GLY HA3 H 4.37 0.03 2 749 245 75 GLY N N 109.46 0.15 1 750 246 76 ILE CA C 61.40 0.12 1 751 246 76 ILE CB C 39.45 0.12 1 752 246 76 ILE CD1 C 13.74 0.12 1 753 246 76 ILE CG1 C 27.67 0.12 1 754 246 76 ILE CG2 C 17.45 0.12 1 755 246 76 ILE H H 8.08 0.03 1 756 246 76 ILE HA H 3.91 0.03 1 757 246 76 ILE HB H 1.73 0.03 1 758 246 76 ILE HD1 H 0.78 0.03 1 759 246 76 ILE HG12 H 1.28 0.03 2 760 246 76 ILE HG13 H 1.16 0.03 2 761 246 76 ILE HG2 H 0.82 0.03 1 762 246 76 ILE N N 118.61 0.15 1 763 247 77 ILE CA C 59.99 0.12 1 764 247 77 ILE CB C 40.02 0.12 1 765 247 77 ILE CD1 C 13.92 0.12 1 766 247 77 ILE CG1 C 28.44 0.12 1 767 247 77 ILE CG2 C 18.92 0.12 1 768 247 77 ILE H H 8.53 0.03 1 769 247 77 ILE HA H 4.67 0.03 1 770 247 77 ILE HB H 1.77 0.03 1 771 247 77 ILE HD1 H 0.79 0.03 1 772 247 77 ILE HG12 H 1.78 0.03 2 773 247 77 ILE HG13 H 0.90 0.03 2 774 247 77 ILE HG2 H 0.81 0.03 1 775 247 77 ILE N N 123.43 0.15 1 776 248 78 LYS CA C 54.19 0.12 1 777 248 78 LYS CB C 36.63 0.12 1 778 248 78 LYS CD C 29.50 0.12 1 779 248 78 LYS CE C 41.85 0.12 1 780 248 78 LYS CG C 25.02 0.12 1 781 248 78 LYS H H 8.68 0.03 1 782 248 78 LYS HA H 4.70 0.03 1 783 248 78 LYS HB2 H 1.45 0.03 2 784 248 78 LYS HB3 H 1.75 0.03 2 785 248 78 LYS HD2 H 1.57 0.03 1 786 248 78 LYS HD3 H 1.57 0.03 1 787 248 78 LYS HE2 H 2.88 0.03 1 788 248 78 LYS HE3 H 2.88 0.03 1 789 248 78 LYS HG2 H 1.34 0.03 2 790 248 78 LYS HG3 H 1.21 0.03 2 791 248 78 LYS N N 121.57 0.15 1 792 249 79 LEU CA C 55.29 0.12 1 793 249 79 LEU CB C 43.17 0.12 1 794 249 79 LEU CD1 C 24.86 0.12 2 795 249 79 LEU CD2 C 24.39 0.12 2 796 249 79 LEU CG C 27.11 0.12 1 797 249 79 LEU H H 8.76 0.03 1 798 249 79 LEU HA H 4.35 0.03 1 799 249 79 LEU HB2 H 1.49 0.03 2 800 249 79 LEU HB3 H 1.60 0.03 2 801 249 79 LEU HD1 H 0.93 0.03 2 802 249 79 LEU HD2 H 0.86 0.03 2 803 249 79 LEU HG H 1.47 0.03 1 804 249 79 LEU N N 121.23 0.15 1 805 250 80 ASN CA C 51.99 0.12 1 806 250 80 ASN CB C 38.36 0.12 1 807 250 80 ASN H H 7.84 0.03 1 808 250 80 ASN HA H 4.66 0.03 1 809 250 80 ASN HB2 H 3.05 0.03 2 810 250 80 ASN HB3 H 2.18 0.03 2 811 250 80 ASN HD21 H 6.98 0.03 1 812 250 80 ASN HD22 H 7.90 0.03 1 813 250 80 ASN N N 120.84 0.15 1 814 250 80 ASN ND2 N 111.78 0.15 1 815 251 81 LYS CA C 56.74 0.12 1 816 251 81 LYS CB C 32.68 0.12 1 817 251 81 LYS CD C 29.15 0.12 1 818 251 81 LYS CE C 41.86 0.12 1 819 251 81 LYS CG C 24.89 0.12 1 820 251 81 LYS H H 8.37 0.03 1 821 251 81 LYS HA H 4.23 0.03 1 822 251 81 LYS HB2 H 1.71 0.03 2 823 251 81 LYS HB3 H 1.84 0.03 2 824 251 81 LYS HD2 H 1.67 0.03 1 825 251 81 LYS HD3 H 1.67 0.03 1 826 251 81 LYS HE2 H 2.98 0.03 1 827 251 81 LYS HE3 H 2.98 0.03 1 828 251 81 LYS HG2 H 1.46 0.03 2 829 251 81 LYS HG3 H 1.39 0.03 2 830 251 81 LYS N N 124.50 0.15 1 831 252 82 LYS CA C 56.42 0.12 1 832 252 82 LYS CB C 32.61 0.12 1 833 252 82 LYS CD C 28.93 0.12 1 834 252 82 LYS CE C 41.81 0.12 1 835 252 82 LYS CG C 24.64 0.12 1 836 252 82 LYS H H 8.16 0.03 1 837 252 82 LYS HA H 4.21 0.03 1 838 252 82 LYS HB2 H 1.77 0.03 1 839 252 82 LYS HB3 H 1.77 0.03 1 840 252 82 LYS HD2 H 1.73 0.03 1 841 252 82 LYS HD3 H 1.73 0.03 1 842 252 82 LYS HE2 H 2.97 0.03 1 843 252 82 LYS HE3 H 2.97 0.03 1 844 252 82 LYS HG2 H 1.43 0.03 2 845 252 82 LYS HG3 H 1.39 0.03 2 846 252 82 LYS N N 120.75 0.15 1 847 253 83 LYS CA C 56.01 0.12 1 848 253 83 LYS CB C 32.99 0.12 1 849 253 83 LYS CD C 28.97 0.12 1 850 253 83 LYS CE C 41.90 0.12 1 851 253 83 LYS CG C 24.73 0.12 1 852 253 83 LYS H H 8.07 0.03 1 853 253 83 LYS HA H 4.29 0.03 1 854 253 83 LYS HB2 H 1.77 0.03 1 855 253 83 LYS HB3 H 1.77 0.03 1 856 253 83 LYS HD2 H 1.68 0.03 1 857 253 83 LYS HD3 H 1.68 0.03 1 858 253 83 LYS HE2 H 2.97 0.03 1 859 253 83 LYS HE3 H 2.97 0.03 1 860 253 83 LYS HG2 H 1.38 0.03 1 861 253 83 LYS HG3 H 1.38 0.03 1 862 253 83 LYS N N 121.45 0.15 1 863 254 84 VAL CA C 62.11 0.12 1 864 254 84 VAL CB C 32.71 0.12 1 865 254 84 VAL CG1 C 20.88 0.12 1 866 254 84 VAL CG2 C 20.88 0.12 1 867 254 84 VAL H H 8.09 0.03 1 868 254 84 VAL HA H 4.05 0.03 1 869 254 84 VAL HB H 2.01 0.03 1 870 254 84 VAL HG1 H 0.91 0.03 1 871 254 84 VAL HG2 H 0.91 0.03 1 872 254 84 VAL N N 121.70 0.15 1 873 255 85 LYS CA C 55.96 0.12 1 874 255 85 LYS CB C 32.82 0.12 1 875 255 85 LYS CD C 29.05 0.12 1 876 255 85 LYS CE C 41.84 0.12 1 877 255 85 LYS CG C 24.57 0.12 1 878 255 85 LYS H H 8.47 0.03 1 879 255 85 LYS HA H 4.31 0.03 1 880 255 85 LYS HB2 H 1.74 0.03 2 881 255 85 LYS HB3 H 1.79 0.03 2 882 255 85 LYS HD2 H 1.67 0.03 1 883 255 85 LYS HD3 H 1.67 0.03 1 884 255 85 LYS HE2 H 2.97 0.03 1 885 255 85 LYS HE3 H 2.97 0.03 1 886 255 85 LYS HG2 H 1.40 0.03 1 887 255 85 LYS HG3 H 1.40 0.03 1 888 255 85 LYS N N 125.78 0.15 1 889 256 86 LEU CA C 54.85 0.12 1 890 256 86 LEU CB C 42.41 0.12 1 891 256 86 LEU CD1 C 24.89 0.12 2 892 256 86 LEU CD2 C 23.26 0.12 2 893 256 86 LEU CG C 26.81 0.12 1 894 256 86 LEU H H 8.46 0.03 1 895 256 86 LEU HA H 4.40 0.03 1 896 256 86 LEU HB2 H 1.59 0.03 2 897 256 86 LEU HB3 H 1.64 0.03 2 898 256 86 LEU HD1 H 0.90 0.03 2 899 256 86 LEU HD2 H 0.85 0.03 2 900 256 86 LEU HG H 1.62 0.03 1 901 256 86 LEU N N 124.51 0.15 1 902 257 87 SER CA C 58.02 0.12 1 903 257 87 SER CB C 63.77 0.12 1 904 257 87 SER H H 8.41 0.03 1 905 257 87 SER HA H 4.52 0.03 1 906 257 87 SER HB2 H 3.87 0.03 1 907 257 87 SER HB3 H 3.87 0.03 1 908 257 87 SER N N 117.05 0.15 1 909 258 88 THR CA C 63.10 0.12 1 910 258 88 THR CB C 70.51 0.12 1 911 258 88 THR CG2 C 21.94 0.12 1 912 258 88 THR H H 7.89 0.03 1 913 258 88 THR HA H 4.14 0.03 1 914 258 88 THR HB H 4.24 0.03 1 915 258 88 THR HG2 H 1.15 0.03 1 916 258 88 THR N N 120.40 0.15 1 stop_ save_