data_16685 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the major extracytoplasmic domain of MreC from Bacillus subtilis ; _BMRB_accession_number 16685 _BMRB_flat_file_name bmr16685.str _Entry_type original _Submission_date 2010-01-20 _Accession_date 2010-01-20 _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 Kyburz Annika . . 2 Raulinaitis Vytautas . . 3 Koskela Outi . . 4 Kontinen Vesa . . 5 Permi Perttu . . 6 Kilpelainen Ilkka . . 7 Seppala-Lehto Raili . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 965 "13C chemical shifts" 566 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-07-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the major extracytoplasmic domain of the cell shape-determining protein MreC from Bacillus subtilis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20623345 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kyburz Annika . . 2 Raulinaitis Vytautas . . 3 Koskela Outi . . 4 Kontinen Vesa . . 5 Permi Perttu . . 6 Kilpelainen Ilkka . . 7 Seppala Raili . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 235 _Page_last 238 _Year 2010 _Details . loop_ _Keyword 'Bacillus subtilis' 'cell shape-determining protein' MreC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MreC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MreC $MreC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MreC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MreC _Molecular_mass 19225.8340 _Mol_thiol_state 'all free' loop_ _Biological_function 'cell shape-determining protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 178 _Mol_residue_sequence ; GSGHVKSIKDYKPILATVIA RSPDNWAKQVTINKGTQQNV AKDMAVTNEKGALIGKIKSS GLNNFTSAVQLLSDTDRNNR VATKISGKKGSKGYGLIEGY DKEKKRLKMTIIERKDKQDV KKGDLIETSGTGGVFPEGLT IGEVTDIESDSYGLTKVAYV KPAADLTDLNNVIVVNRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 104 GLY 4 105 HIS 5 106 VAL 6 107 LYS 7 108 SER 8 109 ILE 9 110 LYS 10 111 ASP 11 112 TYR 12 113 LYS 13 114 PRO 14 115 ILE 15 116 LEU 16 117 ALA 17 118 THR 18 119 VAL 19 120 ILE 20 121 ALA 21 122 ARG 22 123 SER 23 124 PRO 24 125 ASP 25 126 ASN 26 127 TRP 27 128 ALA 28 129 LYS 29 130 GLN 30 131 VAL 31 132 THR 32 133 ILE 33 134 ASN 34 135 LYS 35 136 GLY 36 137 THR 37 138 GLN 38 139 GLN 39 140 ASN 40 141 VAL 41 142 ALA 42 143 LYS 43 144 ASP 44 145 MET 45 146 ALA 46 147 VAL 47 148 THR 48 149 ASN 49 150 GLU 50 151 LYS 51 152 GLY 52 153 ALA 53 154 LEU 54 155 ILE 55 156 GLY 56 157 LYS 57 158 ILE 58 159 LYS 59 160 SER 60 161 SER 61 162 GLY 62 163 LEU 63 164 ASN 64 165 ASN 65 166 PHE 66 167 THR 67 168 SER 68 169 ALA 69 170 VAL 70 171 GLN 71 172 LEU 72 173 LEU 73 174 SER 74 175 ASP 75 176 THR 76 177 ASP 77 178 ARG 78 179 ASN 79 180 ASN 80 181 ARG 81 182 VAL 82 183 ALA 83 184 THR 84 185 LYS 85 186 ILE 86 187 SER 87 188 GLY 88 189 LYS 89 190 LYS 90 191 GLY 91 192 SER 92 193 LYS 93 194 GLY 94 195 TYR 95 196 GLY 96 197 LEU 97 198 ILE 98 199 GLU 99 200 GLY 100 201 TYR 101 202 ASP 102 203 LYS 103 204 GLU 104 205 LYS 105 206 LYS 106 207 ARG 107 208 LEU 108 209 LYS 109 210 MET 110 211 THR 111 212 ILE 112 213 ILE 113 214 GLU 114 215 ARG 115 216 LYS 116 217 ASP 117 218 LYS 118 219 GLN 119 220 ASP 120 221 VAL 121 222 LYS 122 223 LYS 123 224 GLY 124 225 ASP 125 226 LEU 126 227 ILE 127 228 GLU 128 229 THR 129 230 SER 130 231 GLY 131 232 THR 132 233 GLY 133 234 GLY 134 235 VAL 135 236 PHE 136 237 PRO 137 238 GLU 138 239 GLY 139 240 LEU 140 241 THR 141 242 ILE 142 243 GLY 143 244 GLU 144 245 VAL 145 246 THR 146 247 ASP 147 248 ILE 148 249 GLU 149 250 SER 150 251 ASP 151 252 SER 152 253 TYR 153 254 GLY 154 255 LEU 155 256 THR 156 257 LYS 157 258 VAL 158 259 ALA 159 260 TYR 160 261 VAL 161 262 LYS 162 263 PRO 163 264 ALA 164 265 ALA 165 266 ASP 166 267 LEU 167 268 THR 168 269 ASP 169 270 LEU 170 271 ASN 171 272 ASN 172 273 VAL 173 274 ILE 174 275 VAL 175 276 VAL 176 277 ASN 177 278 ARG 178 279 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 DBJ BAI86290 "cell-shape determining protein [Bacillus subtilis subsp. natto BEST195]" 98.88 272 99.43 99.43 3.74e-118 DBJ BAM53237 "rod shape-determining protein MreC [Bacillus subtilis BEST7613]" 98.88 290 100.00 100.00 9.99e-119 DBJ BAM58879 "rod shape-determining protein MreC [Bacillus subtilis BEST7003]" 98.88 290 100.00 100.00 9.99e-119 DBJ GAK80355 "rod shape-determining protein MreC [Bacillus subtilis Miyagi-4]" 98.88 272 99.43 99.43 3.74e-118 EMBL CAB14762 "cell-shape determining protein [Bacillus subtilis subsp. subtilis str. 168]" 98.88 290 100.00 100.00 9.99e-119 EMBL CCU59293 "Rod shape-determining protein MreC [Bacillus subtilis E1]" 98.88 290 98.86 99.43 2.16e-117 EMBL CEI58031 "cell shape-determining protein MreC [Bacillus subtilis]" 98.88 290 100.00 100.00 9.99e-119 EMBL CEJ78453 "cell shape-determining protein MreC [Bacillus sp.]" 98.88 290 100.00 100.00 9.99e-119 EMBL CJR47029 "rod shape-determining protein MreC [Streptococcus pneumoniae]" 98.88 290 99.43 100.00 6.59e-118 GB AAA22398 "MreC protein [Bacillus subtilis]" 98.88 290 98.86 98.86 8.28e-117 GB AAA22606 "putative [Bacillus subtilis]" 98.88 290 100.00 100.00 9.99e-119 GB ADM38751 "cell-shape determining protein [Bacillus subtilis subsp. spizizenii str. W23]" 98.88 290 99.43 99.43 5.02e-118 GB ADV93593 "rod shape-determining protein MreC [Bacillus subtilis BSn5]" 98.88 290 100.00 100.00 9.99e-119 GB AEP87648 "rod shape-determining protein MreC [Bacillus subtilis subsp. spizizenii TU-B-10]" 98.88 290 99.43 99.43 5.02e-118 PRF 2207195A "mreC gene" 98.88 290 100.00 100.00 9.99e-119 REF NP_390680 "cell shape-determining protein MreC [Bacillus subtilis subsp. subtilis str. 168]" 98.88 290 100.00 100.00 9.99e-119 REF WP_003222609 "MULTISPECIES: cell shape-determining protein MreC [Bacillales]" 98.88 290 99.43 99.43 5.02e-118 REF WP_003237571 "cell shape-determining protein MreC [Bacillus subtilis]" 98.88 290 98.30 99.43 1.02e-116 REF WP_009967915 "MULTISPECIES: cell shape-determining protein MreC [Bacillus]" 98.88 290 100.00 100.00 9.99e-119 REF WP_010335163 "MULTISPECIES: rod shape-determining protein MreC [Bacillaceae]" 98.88 290 97.16 98.86 1.98e-115 SP P84480 "RecName: Full=Cell shape-determining protein MreC; AltName: Full=Cell shape protein MreC; AltName: Full=Rod shape-determining p" 98.88 290 100.00 100.00 9.99e-119 SP Q01466 "RecName: Full=Cell shape-determining protein MreC; AltName: Full=Cell shape protein MreC; AltName: Full=Rod shape-determining p" 98.88 290 100.00 100.00 9.99e-119 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $MreC 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis 168 mrec 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 $MreC 'recombinant technology' . Escherichia coli BL21 pGEX-2T 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 $MreC 0.54 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignments' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'equipped with a triple resonance cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C-CT-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-CT-HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_aromatics_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY_aromatics' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 TSP C 13 'methyl protons' ppm 0 internal direct . . . 0.25144954 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 water N 15 protons ppm 4.727517028 internal indirect . . . 0.101329 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HCCH-COSY' '3D CC(CO)NH' '3D H(CC)(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C-CT-HSQC' '3D HCCH-COSY_aromatics' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MreC _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 1 104 3 GLY HA2 H 3.868 0.000 2 2 104 3 GLY HA3 H 3.868 0.000 2 3 104 3 GLY CA C 43.748 0.000 1 4 105 4 HIS HA H 4.637 0.003 1 5 105 4 HIS HB2 H 3.089 0.017 2 6 105 4 HIS HB3 H 3.034 0.010 2 7 105 4 HIS HD2 H 6.983 0.013 1 8 105 4 HIS HE1 H 7.890 0.013 1 9 105 4 HIS CA C 56.303 0.048 1 10 105 4 HIS CB C 30.834 0.037 1 11 105 4 HIS CD2 C 119.432 0.049 1 12 105 4 HIS CE1 C 137.946 0.032 1 13 106 5 VAL H H 8.022 0.001 1 14 106 5 VAL HA H 4.062 0.003 1 15 106 5 VAL HB H 2.000 0.003 1 16 106 5 VAL HG1 H 0.881 0.006 2 17 106 5 VAL HG2 H 0.861 0.015 2 18 106 5 VAL CA C 62.219 0.027 1 19 106 5 VAL CB C 32.709 0.023 1 20 106 5 VAL CG1 C 21.188 0.047 2 21 106 5 VAL CG2 C 20.500 0.047 2 22 106 5 VAL N N 123.416 0.017 1 23 107 6 LYS H H 8.427 0.003 1 24 107 6 LYS HA H 4.347 0.007 1 25 107 6 LYS HB2 H 1.810 0.014 2 26 107 6 LYS HB3 H 1.810 0.014 2 27 107 6 LYS HD2 H 1.652 0.003 2 28 107 6 LYS HD3 H 1.652 0.003 2 29 107 6 LYS HE2 H 2.975 0.006 2 30 107 6 LYS HE3 H 2.975 0.006 2 31 107 6 LYS HG2 H 1.409 0.022 2 32 107 6 LYS HG3 H 1.409 0.022 2 33 107 6 LYS CA C 56.418 0.068 1 34 107 6 LYS CB C 33.414 0.089 1 35 107 6 LYS CD C 29.009 0.043 1 36 107 6 LYS CE C 42.092 0.027 1 37 107 6 LYS CG C 24.828 0.031 1 38 107 6 LYS N N 126.896 0.012 1 39 108 7 SER H H 8.495 0.002 1 40 108 7 SER HA H 4.598 0.008 1 41 108 7 SER HB2 H 3.957 0.011 2 42 108 7 SER HB3 H 3.846 0.009 2 43 108 7 SER CA C 57.738 0.035 1 44 108 7 SER CB C 64.663 0.018 1 45 108 7 SER N N 118.453 0.015 1 46 109 8 ILE H H 8.321 0.003 1 47 109 8 ILE HA H 4.124 0.005 1 48 109 8 ILE HB H 1.868 0.005 1 49 109 8 ILE HD1 H 0.815 0.002 1 50 109 8 ILE HG12 H 1.417 0.004 2 51 109 8 ILE HG13 H 1.191 0.007 2 52 109 8 ILE HG2 H 0.892 0.006 1 53 109 8 ILE CA C 62.032 0.056 1 54 109 8 ILE CB C 38.675 0.057 1 55 109 8 ILE CD1 C 13.567 0.048 1 56 109 8 ILE CG1 C 27.724 0.039 1 57 109 8 ILE CG2 C 17.721 0.043 1 58 109 8 ILE N N 122.897 0.014 1 59 110 9 LYS H H 8.020 0.003 1 60 110 9 LYS HA H 4.239 0.005 1 61 110 9 LYS HB2 H 1.732 0.014 2 62 110 9 LYS HB3 H 1.732 0.014 2 63 110 9 LYS HD2 H 1.631 0.028 2 64 110 9 LYS HD3 H 1.631 0.028 2 65 110 9 LYS HE2 H 2.982 0.001 2 66 110 9 LYS HE3 H 2.982 0.001 2 67 110 9 LYS HG2 H 1.381 0.010 2 68 110 9 LYS HG3 H 1.381 0.010 2 69 110 9 LYS CA C 56.996 0.059 1 70 110 9 LYS CB C 32.633 0.055 1 71 110 9 LYS CD C 28.955 0.013 1 72 110 9 LYS CE C 42.047 0.002 1 73 110 9 LYS CG C 24.534 0.037 1 74 110 9 LYS N N 123.185 0.034 1 75 111 10 ASP H H 8.042 0.002 1 76 111 10 ASP HA H 4.590 0.007 1 77 111 10 ASP HB2 H 2.668 0.004 2 78 111 10 ASP HB3 H 2.570 0.004 2 79 111 10 ASP CA C 54.800 0.072 1 80 111 10 ASP CB C 41.270 0.080 1 81 111 10 ASP N N 120.579 0.021 1 82 112 11 TYR H H 7.652 0.004 1 83 112 11 TYR HA H 4.761 0.003 1 84 112 11 TYR HB2 H 3.008 0.008 2 85 112 11 TYR HB3 H 2.755 0.003 2 86 112 11 TYR HD1 H 7.009 0.014 3 87 112 11 TYR HD2 H 7.009 0.014 3 88 112 11 TYR HE1 H 6.737 0.015 3 89 112 11 TYR HE2 H 6.737 0.015 3 90 112 11 TYR CA C 56.846 0.050 1 91 112 11 TYR CB C 39.463 0.044 1 92 112 11 TYR CD1 C 133.001 0.043 3 93 112 11 TYR CE1 C 117.705 0.020 3 94 112 11 TYR N N 119.959 0.010 1 95 113 12 LYS H H 8.664 0.003 1 96 113 12 LYS HA H 4.712 0.010 1 97 113 12 LYS HB2 H 1.752 0.002 2 98 113 12 LYS HB3 H 1.752 0.002 2 99 113 12 LYS CA C 53.620 0.087 1 100 113 12 LYS CB C 33.014 0.033 1 101 113 12 LYS N N 123.501 0.047 1 102 114 13 PRO HA H 4.679 0.002 1 103 114 13 PRO HB2 H 2.094 0.010 2 104 114 13 PRO HB3 H 1.767 0.012 2 105 114 13 PRO HD2 H 3.718 0.006 2 106 114 13 PRO HD3 H 3.631 0.005 2 107 114 13 PRO HG2 H 2.101 0.020 2 108 114 13 PRO HG3 H 1.952 0.005 2 109 114 13 PRO CA C 62.470 0.029 1 110 114 13 PRO CB C 33.221 0.031 1 111 114 13 PRO CD C 50.535 0.023 1 112 114 13 PRO CG C 26.921 0.017 1 113 115 14 ILE H H 8.857 0.003 1 114 115 14 ILE HA H 4.211 0.008 1 115 115 14 ILE HB H 1.875 0.004 1 116 115 14 ILE HD1 H 0.781 0.006 1 117 115 14 ILE HG12 H 1.642 0.013 2 118 115 14 ILE HG13 H 1.048 0.025 2 119 115 14 ILE HG2 H 0.753 0.010 1 120 115 14 ILE CA C 61.038 0.015 1 121 115 14 ILE CB C 39.999 0.054 1 122 115 14 ILE CD1 C 14.472 0.052 1 123 115 14 ILE CG1 C 26.654 0.013 1 124 115 14 ILE CG2 C 16.640 0.019 1 125 115 14 ILE N N 125.383 0.029 1 126 116 15 LEU H H 8.383 0.003 1 127 116 15 LEU HA H 4.646 0.005 1 128 116 15 LEU HB2 H 1.675 0.004 2 129 116 15 LEU HB3 H 1.585 0.004 2 130 116 15 LEU HD1 H 0.890 0.013 2 131 116 15 LEU HD2 H 0.845 0.003 2 132 116 15 LEU HG H 1.685 0.007 1 133 116 15 LEU CA C 55.621 0.063 1 134 116 15 LEU CB C 41.499 0.046 1 135 116 15 LEU CD1 C 24.458 0.109 2 136 116 15 LEU CD2 C 24.409 0.008 2 137 116 15 LEU CG C 27.813 0.029 1 138 116 15 LEU N N 129.905 0.014 1 139 117 16 ALA H H 8.767 0.003 1 140 117 16 ALA HA H 4.832 0.007 1 141 117 16 ALA HB H 1.205 0.003 1 142 117 16 ALA CA C 50.607 0.133 1 143 117 16 ALA CB C 24.621 0.058 1 144 117 16 ALA N N 126.683 0.019 1 145 118 17 THR H H 8.394 0.002 1 146 118 17 THR HA H 5.093 0.008 1 147 118 17 THR HB H 3.627 0.004 1 148 118 17 THR HG2 H 1.205 0.003 1 149 118 17 THR CA C 60.985 0.023 1 150 118 17 THR CB C 72.077 0.071 1 151 118 17 THR CG2 C 21.932 0.003 1 152 118 17 THR N N 116.993 0.017 1 153 119 18 VAL H H 8.646 0.002 1 154 119 18 VAL HA H 4.111 0.006 1 155 119 18 VAL HB H 2.039 0.006 1 156 119 18 VAL HG1 H 0.719 0.004 2 157 119 18 VAL HG2 H 0.879 0.005 2 158 119 18 VAL CA C 63.768 0.061 1 159 119 18 VAL CB C 32.008 0.068 1 160 119 18 VAL CG1 C 22.190 0.021 2 161 119 18 VAL CG2 C 21.279 0.021 2 162 119 18 VAL N N 126.210 0.022 1 163 120 19 ILE H H 8.810 0.007 1 164 120 19 ILE HA H 4.570 0.009 1 165 120 19 ILE HB H 2.055 0.007 1 166 120 19 ILE HD1 H 0.819 0.008 1 167 120 19 ILE HG12 H 1.140 0.007 2 168 120 19 ILE HG13 H 0.800 0.038 2 169 120 19 ILE HG2 H 0.922 0.006 1 170 120 19 ILE CA C 60.743 0.041 1 171 120 19 ILE CB C 40.034 0.070 1 172 120 19 ILE CD1 C 14.001 0.031 1 173 120 19 ILE CG1 C 26.474 0.054 1 174 120 19 ILE CG2 C 18.880 0.014 1 175 120 19 ILE N N 122.451 0.022 1 176 121 20 ALA H H 7.631 0.002 1 177 121 20 ALA HA H 4.549 0.005 1 178 121 20 ALA HB H 1.386 0.006 1 179 121 20 ALA CA C 53.143 0.076 1 180 121 20 ALA CB C 21.446 0.075 1 181 121 20 ALA N N 124.028 0.023 1 182 122 21 ARG H H 8.305 0.003 1 183 122 21 ARG HA H 4.556 0.003 1 184 122 21 ARG HB2 H 1.527 0.002 2 185 122 21 ARG HB3 H 1.527 0.002 2 186 122 21 ARG CA C 56.125 0.061 1 187 122 21 ARG CB C 32.050 0.045 1 188 122 21 ARG CD C 43.500 0.000 1 189 122 21 ARG N N 122.894 0.023 1 190 123 22 SER H H 8.717 0.002 1 191 123 22 SER HA H 4.934 0.003 1 192 123 22 SER HB2 H 4.037 0.008 2 193 123 22 SER HB3 H 3.999 0.004 2 194 123 22 SER CA C 56.409 0.043 1 195 123 22 SER CB C 63.729 0.029 1 196 123 22 SER N N 123.091 0.023 1 197 124 23 PRO HA H 4.470 0.004 1 198 124 23 PRO HB2 H 2.347 0.007 2 199 124 23 PRO HB3 H 2.030 0.010 2 200 124 23 PRO HD2 H 4.025 0.008 2 201 124 23 PRO HD3 H 3.896 0.011 2 202 124 23 PRO HG2 H 2.088 0.005 2 203 124 23 PRO HG3 H 2.088 0.005 2 204 124 23 PRO CA C 65.004 0.041 1 205 124 23 PRO CB C 31.968 0.046 1 206 124 23 PRO CD C 50.876 0.032 1 207 124 23 PRO CG C 27.497 0.006 1 208 125 24 ASP H H 8.286 0.003 1 209 125 24 ASP HA H 4.482 0.004 1 210 125 24 ASP HB2 H 2.666 0.004 2 211 125 24 ASP HB3 H 2.568 0.004 2 212 125 24 ASP CA C 55.528 0.038 1 213 125 24 ASP CB C 40.722 0.089 1 214 125 24 ASP N N 117.035 0.018 1 215 126 25 ASN HA H 4.860 0.006 1 216 126 25 ASN HB2 H 2.820 0.004 2 217 126 25 ASN HB3 H 2.820 0.004 2 218 126 25 ASN HD21 H 7.726 0.000 2 219 126 25 ASN HD22 H 6.861 0.000 2 220 126 25 ASN CA C 52.796 0.075 1 221 126 25 ASN CB C 38.509 0.058 1 222 126 25 ASN ND2 N 114.713 0.000 1 223 127 26 TRP H H 7.573 0.004 1 224 127 26 TRP HA H 4.251 0.007 1 225 127 26 TRP HB2 H 3.528 0.007 2 226 127 26 TRP HB3 H 3.280 0.003 2 227 127 26 TRP HD1 H 7.184 0.014 1 228 127 26 TRP HE1 H 10.143 0.000 1 229 127 26 TRP HE3 H 7.417 0.016 1 230 127 26 TRP HH2 H 7.271 0.016 1 231 127 26 TRP HZ2 H 7.584 0.015 1 232 127 26 TRP HZ3 H 7.114 0.017 1 233 127 26 TRP CA C 60.545 0.059 1 234 127 26 TRP CB C 30.338 0.064 1 235 127 26 TRP CD1 C 126.956 0.032 1 236 127 26 TRP CE3 C 120.157 0.038 1 237 127 26 TRP CH2 C 124.272 0.043 1 238 127 26 TRP CZ2 C 114.430 0.022 1 239 127 26 TRP CZ3 C 121.685 0.026 1 240 127 26 TRP N N 123.680 0.023 1 241 127 26 TRP NE1 N 130.923 0.000 1 242 128 27 ALA H H 8.334 0.004 1 243 128 27 ALA HA H 4.196 0.010 1 244 128 27 ALA HB H 1.292 0.015 1 245 128 27 ALA CA C 52.283 0.072 1 246 128 27 ALA CB C 19.115 0.060 1 247 128 27 ALA N N 119.315 0.033 1 248 129 28 LYS H H 8.014 0.002 1 249 129 28 LYS HA H 4.258 0.010 1 250 129 28 LYS HB2 H 1.839 0.019 2 251 129 28 LYS HB3 H 1.684 0.019 2 252 129 28 LYS HD2 H 1.689 0.007 2 253 129 28 LYS HD3 H 1.689 0.007 2 254 129 28 LYS HE2 H 3.021 0.003 2 255 129 28 LYS HE3 H 3.021 0.003 2 256 129 28 LYS HG2 H 1.308 0.018 2 257 129 28 LYS HG3 H 1.308 0.018 2 258 129 28 LYS CA C 57.633 0.046 1 259 129 28 LYS CB C 34.613 0.082 1 260 129 28 LYS CD C 29.415 0.038 1 261 129 28 LYS CE C 42.001 0.011 1 262 129 28 LYS CG C 24.970 0.056 1 263 129 28 LYS N N 117.727 0.027 1 264 130 29 GLN H H 7.835 0.002 1 265 130 29 GLN HA H 5.717 0.009 1 266 130 29 GLN HB2 H 2.058 0.004 2 267 130 29 GLN HB3 H 1.962 0.003 2 268 130 29 GLN CA C 54.754 0.072 1 269 130 29 GLN CB C 33.555 0.049 1 270 130 29 GLN CG C 35.555 0.000 1 271 130 29 GLN N N 118.953 0.021 1 272 131 30 VAL H H 7.797 0.002 1 273 131 30 VAL HA H 4.825 0.002 1 274 131 30 VAL HB H 2.311 0.007 1 275 131 30 VAL HG1 H 0.814 0.005 2 276 131 30 VAL HG2 H 0.596 0.009 2 277 131 30 VAL CA C 59.503 0.034 1 278 131 30 VAL CB C 34.878 0.065 1 279 131 30 VAL CG1 C 22.256 0.020 2 280 131 30 VAL CG2 C 18.197 0.013 2 281 131 30 VAL N N 112.775 0.018 1 282 132 31 THR H H 8.684 0.002 1 283 132 31 THR HA H 5.307 0.006 1 284 132 31 THR HB H 3.942 0.003 1 285 132 31 THR HG2 H 1.292 0.005 1 286 132 31 THR CA C 62.032 0.047 1 287 132 31 THR CB C 70.257 0.046 1 288 132 31 THR CG2 C 21.221 0.089 1 289 132 31 THR N N 120.249 0.016 1 290 133 32 ILE H H 9.414 0.005 1 291 133 32 ILE HA H 5.489 0.003 1 292 133 32 ILE HB H 1.653 0.005 1 293 133 32 ILE HD1 H 0.428 0.003 1 294 133 32 ILE HG12 H 1.479 0.007 2 295 133 32 ILE HG13 H 1.009 0.002 2 296 133 32 ILE HG2 H 0.600 0.017 1 297 133 32 ILE CA C 59.064 0.047 1 298 133 32 ILE CB C 41.745 0.080 1 299 133 32 ILE CD1 C 13.646 0.076 1 300 133 32 ILE CG1 C 26.284 0.031 1 301 133 32 ILE CG2 C 17.765 0.027 1 302 133 32 ILE N N 120.557 0.030 1 303 134 33 ASN H H 8.188 0.005 1 304 134 33 ASN HA H 4.670 0.004 1 305 134 33 ASN HB2 H 3.478 0.006 2 306 134 33 ASN HB3 H 2.603 0.011 2 307 134 33 ASN HD21 H 7.664 0.000 2 308 134 33 ASN HD22 H 6.969 0.000 2 309 134 33 ASN CA C 52.954 0.090 1 310 134 33 ASN CB C 37.973 0.040 1 311 134 33 ASN N N 121.992 0.062 1 312 134 33 ASN ND2 N 111.653 0.003 1 313 135 34 LYS H H 6.773 0.001 1 314 135 34 LYS HA H 4.563 0.007 1 315 135 34 LYS HB2 H 1.501 0.008 2 316 135 34 LYS HB3 H 1.270 0.018 2 317 135 34 LYS HD2 H 1.831 0.010 2 318 135 34 LYS HD3 H 1.409 0.004 2 319 135 34 LYS HE2 H 3.112 0.005 2 320 135 34 LYS HE3 H 3.066 0.003 2 321 135 34 LYS CA C 53.788 0.057 1 322 135 34 LYS CB C 37.414 0.042 1 323 135 34 LYS CD C 28.731 0.037 1 324 135 34 LYS CE C 42.842 0.022 1 325 135 34 LYS CG C 24.749 0.000 1 326 135 34 LYS N N 116.119 0.008 1 327 136 35 GLY H H 8.643 0.002 1 328 136 35 GLY HA2 H 3.971 0.006 2 329 136 35 GLY HA3 H 3.616 0.001 2 330 136 35 GLY CA C 44.384 0.032 1 331 136 35 GLY N N 109.391 0.019 1 332 137 36 THR H H 9.315 0.002 1 333 137 36 THR HA H 4.264 0.008 1 334 137 36 THR HB H 4.279 0.005 1 335 137 36 THR HG2 H 1.221 0.008 1 336 137 36 THR CA C 65.486 0.036 1 337 137 36 THR CB C 68.082 0.035 1 338 137 36 THR CG2 C 22.014 0.010 1 339 137 36 THR N N 118.877 0.016 1 340 138 37 GLN H H 9.131 0.003 1 341 138 37 GLN HA H 4.115 0.006 1 342 138 37 GLN HB2 H 2.035 0.004 2 343 138 37 GLN HB3 H 1.731 0.004 2 344 138 37 GLN HG2 H 2.182 0.004 2 345 138 37 GLN HG3 H 2.182 0.004 2 346 138 37 GLN CA C 58.300 0.099 1 347 138 37 GLN CB C 27.657 0.090 1 348 138 37 GLN CG C 34.539 0.025 1 349 138 37 GLN N N 124.082 0.026 1 350 139 38 GLN H H 7.648 0.002 1 351 139 38 GLN HA H 4.481 0.003 1 352 139 38 GLN HB2 H 2.397 0.008 2 353 139 38 GLN HB3 H 2.083 0.010 2 354 139 38 GLN HE21 H 7.559 0.000 2 355 139 38 GLN HE22 H 6.328 0.000 2 356 139 38 GLN HG2 H 2.587 0.007 2 357 139 38 GLN HG3 H 2.251 0.010 2 358 139 38 GLN CA C 56.235 0.049 1 359 139 38 GLN CB C 26.648 0.053 1 360 139 38 GLN CG C 34.286 0.040 1 361 139 38 GLN N N 118.491 0.006 1 362 139 38 GLN NE2 N 111.921 0.001 1 363 140 39 ASN H H 7.669 0.002 1 364 140 39 ASN HA H 4.142 0.003 1 365 140 39 ASN HB2 H 3.056 0.002 2 366 140 39 ASN HB3 H 3.007 0.003 2 367 140 39 ASN CA C 55.159 0.051 1 368 140 39 ASN CB C 36.497 0.035 1 369 140 39 ASN N N 110.444 0.014 1 370 141 40 VAL H H 7.120 0.002 1 371 141 40 VAL HA H 3.564 0.007 1 372 141 40 VAL HB H 1.244 0.003 1 373 141 40 VAL HG1 H 0.658 0.006 2 374 141 40 VAL HG2 H 0.853 0.008 2 375 141 40 VAL CA C 64.559 0.037 1 376 141 40 VAL CB C 31.640 0.070 1 377 141 40 VAL CG1 C 22.547 0.043 2 378 141 40 VAL CG2 C 22.497 0.108 2 379 141 40 VAL N N 119.964 0.014 1 380 142 41 ALA H H 7.935 0.005 1 381 142 41 ALA HA H 4.651 0.010 1 382 142 41 ALA HB H 1.374 0.008 1 383 142 41 ALA CA C 49.764 0.057 1 384 142 41 ALA CB C 23.306 0.066 1 385 142 41 ALA N N 130.172 0.016 1 386 143 42 LYS H H 7.924 0.002 1 387 143 42 LYS HA H 3.607 0.005 1 388 143 42 LYS HB2 H 1.624 0.003 2 389 143 42 LYS HB3 H 1.624 0.003 2 390 143 42 LYS HD2 H 1.612 0.009 2 391 143 42 LYS HD3 H 1.612 0.009 2 392 143 42 LYS HE2 H 2.992 0.009 2 393 143 42 LYS HE3 H 2.992 0.009 2 394 143 42 LYS HG2 H 1.394 0.019 2 395 143 42 LYS HG3 H 1.251 0.003 2 396 143 42 LYS CA C 56.988 0.052 1 397 143 42 LYS CB C 32.629 0.070 1 398 143 42 LYS CD C 29.828 0.034 1 399 143 42 LYS CE C 42.125 0.002 1 400 143 42 LYS CG C 23.693 0.061 1 401 143 42 LYS N N 117.559 0.019 1 402 144 43 ASP H H 8.415 0.003 1 403 144 43 ASP HA H 4.134 0.004 1 404 144 43 ASP HB2 H 3.172 0.003 2 405 144 43 ASP HB3 H 2.886 0.002 2 406 144 43 ASP CA C 57.109 0.051 1 407 144 43 ASP CB C 39.042 0.050 1 408 144 43 ASP N N 115.088 0.029 1 409 145 44 MET H H 7.033 0.002 1 410 145 44 MET HA H 4.445 0.005 1 411 145 44 MET HB2 H 2.166 0.005 2 412 145 44 MET HB3 H 1.734 0.014 2 413 145 44 MET HG2 H 2.885 0.005 2 414 145 44 MET HG3 H 2.586 0.007 2 415 145 44 MET CA C 57.163 0.039 1 416 145 44 MET CB C 33.329 0.056 1 417 145 44 MET CE C 19.805 0.000 1 418 145 44 MET CG C 34.691 0.046 1 419 145 44 MET N N 118.197 0.005 1 420 146 45 ALA H H 9.078 0.003 1 421 146 45 ALA HA H 4.247 0.014 1 422 146 45 ALA HB H 0.933 0.005 1 423 146 45 ALA CA C 52.199 0.094 1 424 146 45 ALA CB C 19.481 0.079 1 425 146 45 ALA N N 124.898 0.033 1 426 147 46 VAL H H 8.107 0.002 1 427 147 46 VAL HA H 5.232 0.010 1 428 147 46 VAL HB H 1.293 0.005 1 429 147 46 VAL HG1 H 0.843 0.006 2 430 147 46 VAL HG2 H 0.717 0.002 2 431 147 46 VAL CA C 59.880 0.055 1 432 147 46 VAL CB C 34.090 0.044 1 433 147 46 VAL CG1 C 22.582 0.039 2 434 147 46 VAL CG2 C 21.732 0.047 2 435 147 46 VAL N N 119.682 0.013 1 436 148 47 THR H H 9.874 0.003 1 437 148 47 THR HA H 5.366 0.006 1 438 148 47 THR HB H 4.037 0.007 1 439 148 47 THR HG2 H 0.828 0.018 1 440 148 47 THR CA C 59.742 0.031 1 441 148 47 THR CB C 71.818 0.059 1 442 148 47 THR CG2 C 19.804 0.047 1 443 148 47 THR N N 119.771 0.022 1 444 149 48 ASN H H 8.708 0.004 1 445 149 48 ASN HA H 4.995 0.006 1 446 149 48 ASN HB2 H 3.886 0.006 2 447 149 48 ASN HB3 H 2.783 0.007 2 448 149 48 ASN HD21 H 8.219 0.000 2 449 149 48 ASN HD22 H 7.516 0.000 2 450 149 48 ASN CA C 51.482 0.094 1 451 149 48 ASN CB C 37.511 0.048 1 452 149 48 ASN N N 117.685 0.017 1 453 149 48 ASN ND2 N 113.317 0.008 1 454 150 49 GLU H H 9.448 0.004 1 455 150 49 GLU HA H 4.011 0.004 1 456 150 49 GLU HB2 H 2.092 0.008 2 457 150 49 GLU HB3 H 2.092 0.008 2 458 150 49 GLU HG2 H 2.352 0.006 2 459 150 49 GLU HG3 H 2.170 0.010 2 460 150 49 GLU CA C 59.453 0.035 1 461 150 49 GLU CB C 29.086 0.110 1 462 150 49 GLU CG C 36.971 0.042 1 463 150 49 GLU N N 120.314 0.018 1 464 151 50 LYS H H 7.223 0.003 1 465 151 50 LYS HA H 4.421 0.004 1 466 151 50 LYS HB2 H 2.106 0.003 2 467 151 50 LYS HB3 H 1.700 0.003 2 468 151 50 LYS HD2 H 1.707 0.005 2 469 151 50 LYS HD3 H 1.707 0.005 2 470 151 50 LYS HE2 H 3.026 0.001 2 471 151 50 LYS HE3 H 3.026 0.001 2 472 151 50 LYS HG2 H 1.469 0.005 2 473 151 50 LYS HG3 H 1.413 0.002 2 474 151 50 LYS CA C 55.280 0.062 1 475 151 50 LYS CB C 32.578 0.057 1 476 151 50 LYS CD C 28.807 0.029 1 477 151 50 LYS CE C 42.172 0.002 1 478 151 50 LYS CG C 25.062 0.056 1 479 151 50 LYS N N 117.953 0.012 1 480 152 51 GLY H H 7.712 0.002 1 481 152 51 GLY HA2 H 4.260 0.007 2 482 152 51 GLY HA3 H 3.651 0.012 2 483 152 51 GLY CA C 45.270 0.036 1 484 152 51 GLY N N 107.839 0.016 1 485 153 52 ALA H H 7.789 0.002 1 486 153 52 ALA HA H 4.684 0.008 1 487 153 52 ALA HB H 1.218 0.007 1 488 153 52 ALA CA C 50.712 0.075 1 489 153 52 ALA CB C 19.500 0.083 1 490 153 52 ALA N N 123.654 0.008 1 491 154 53 LEU H H 8.537 0.002 1 492 154 53 LEU HA H 3.953 0.010 1 493 154 53 LEU HB2 H 1.726 0.004 2 494 154 53 LEU HB3 H 1.038 0.006 2 495 154 53 LEU HG H 0.603 0.000 1 496 154 53 LEU CA C 56.538 0.063 1 497 154 53 LEU CB C 44.335 0.055 1 498 154 53 LEU CD1 C 23.538 0.000 2 499 154 53 LEU CG C 26.921 0.066 1 500 154 53 LEU N N 124.619 0.009 1 501 155 54 ILE H H 9.171 0.003 1 502 155 54 ILE HA H 4.573 0.010 1 503 155 54 ILE HB H 1.664 0.008 1 504 155 54 ILE HD1 H 0.549 0.012 1 505 155 54 ILE HG12 H 0.984 0.000 2 506 155 54 ILE HG13 H 0.629 0.010 2 507 155 54 ILE HG2 H 0.711 0.012 1 508 155 54 ILE CA C 60.842 0.033 1 509 155 54 ILE CB C 40.478 0.082 1 510 155 54 ILE CD1 C 15.568 0.024 1 511 155 54 ILE CG1 C 26.694 0.065 1 512 155 54 ILE CG2 C 18.450 0.049 1 513 155 54 ILE N N 117.601 0.035 1 514 156 55 GLY H H 7.585 0.002 1 515 156 55 GLY HA2 H 4.663 0.012 2 516 156 55 GLY HA3 H 3.928 0.005 2 517 156 55 GLY CA C 46.617 0.047 1 518 156 55 GLY N N 108.945 0.045 1 519 157 56 LYS H H 8.147 0.001 1 520 157 56 LYS HA H 5.616 0.007 1 521 157 56 LYS HB2 H 1.867 0.006 2 522 157 56 LYS HB3 H 1.596 0.012 2 523 157 56 LYS HD2 H 1.613 0.005 2 524 157 56 LYS HD3 H 1.613 0.005 2 525 157 56 LYS HE2 H 3.015 0.003 2 526 157 56 LYS HE3 H 3.015 0.003 2 527 157 56 LYS HG2 H 1.510 0.007 2 528 157 56 LYS HG3 H 1.193 0.004 2 529 157 56 LYS CA C 53.865 0.074 1 530 157 56 LYS CB C 36.801 0.035 1 531 157 56 LYS CD C 29.955 0.017 1 532 157 56 LYS CE C 42.323 0.004 1 533 157 56 LYS CG C 23.102 0.079 1 534 157 56 LYS N N 118.123 0.014 1 535 158 57 ILE H H 8.871 0.002 1 536 158 57 ILE HA H 4.431 0.007 1 537 158 57 ILE HB H 2.284 0.008 1 538 158 57 ILE HD1 H 0.538 0.006 1 539 158 57 ILE HG12 H 1.595 0.005 2 540 158 57 ILE HG13 H 1.306 0.005 2 541 158 57 ILE HG2 H 0.892 0.004 1 542 158 57 ILE CA C 59.077 0.043 1 543 158 57 ILE CB C 35.603 0.019 1 544 158 57 ILE CD1 C 9.086 0.007 1 545 158 57 ILE CG1 C 25.474 0.040 1 546 158 57 ILE CG2 C 17.575 0.026 1 547 158 57 ILE N N 124.188 0.033 1 548 159 58 LYS H H 8.747 0.002 1 549 159 58 LYS HA H 4.377 0.003 1 550 159 58 LYS HB2 H 2.057 0.004 2 551 159 58 LYS HB3 H 1.811 0.001 2 552 159 58 LYS HG2 H 1.680 0.000 2 553 159 58 LYS HG3 H 1.490 0.000 2 554 159 58 LYS CA C 56.615 0.057 1 555 159 58 LYS CB C 34.008 0.042 1 556 159 58 LYS CG C 26.279 0.010 1 557 159 58 LYS N N 131.437 0.024 1 558 162 61 GLY HA2 H 3.801 0.001 2 559 162 61 GLY HA3 H 3.752 0.006 2 560 162 61 GLY CA C 45.771 0.054 1 561 163 62 LEU H H 7.236 0.001 1 562 163 62 LEU HA H 4.394 0.010 1 563 163 62 LEU HB2 H 1.823 0.007 2 564 163 62 LEU HB3 H 1.495 0.010 2 565 163 62 LEU HG H 0.833 0.007 1 566 163 62 LEU CA C 55.654 0.053 1 567 163 62 LEU CB C 40.890 0.040 1 568 163 62 LEU CD1 C 25.022 0.000 2 569 163 62 LEU CD2 C 23.359 0.000 2 570 163 62 LEU CG C 26.522 0.038 1 571 163 62 LEU N N 123.943 0.006 1 572 164 63 ASN H H 8.515 0.003 1 573 164 63 ASN HA H 5.132 0.004 1 574 164 63 ASN HB2 H 3.059 0.006 2 575 164 63 ASN HB3 H 2.898 0.004 2 576 164 63 ASN CA C 51.904 0.120 1 577 164 63 ASN CB C 41.239 0.082 1 578 164 63 ASN N N 129.019 0.012 1 579 165 64 ASN HA H 4.734 0.006 1 580 165 64 ASN HB2 H 2.274 0.005 2 581 165 64 ASN HB3 H 1.825 0.011 2 582 165 64 ASN CA C 56.409 0.052 1 583 165 64 ASN CB C 38.254 0.039 1 584 166 65 PHE H H 8.361 0.004 1 585 166 65 PHE HA H 5.045 0.005 1 586 166 65 PHE HB2 H 3.508 0.004 2 587 166 65 PHE HB3 H 2.810 0.007 2 588 166 65 PHE HD1 H 7.341 0.011 3 589 166 65 PHE HD2 H 7.341 0.011 3 590 166 65 PHE HE1 H 7.348 0.024 3 591 166 65 PHE HE2 H 7.348 0.024 3 592 166 65 PHE HZ H 7.330 0.011 1 593 166 65 PHE CA C 56.996 0.064 1 594 166 65 PHE CB C 41.217 0.052 1 595 166 65 PHE CD1 C 131.513 0.087 3 596 166 65 PHE CE1 C 130.994 0.011 3 597 166 65 PHE CZ C 129.535 0.030 1 598 166 65 PHE N N 113.684 0.015 1 599 167 66 THR H H 7.151 0.002 1 600 167 66 THR HA H 4.950 0.004 1 601 167 66 THR HB H 4.334 0.004 1 602 167 66 THR HG2 H 1.123 0.005 1 603 167 66 THR CA C 59.323 0.045 1 604 167 66 THR CB C 73.351 0.048 1 605 167 66 THR CG2 C 22.418 0.119 1 606 167 66 THR N N 108.497 0.018 1 607 168 67 SER H H 7.838 0.002 1 608 168 67 SER HA H 5.074 0.003 1 609 168 67 SER HB2 H 4.071 0.007 2 610 168 67 SER HB3 H 3.669 0.004 2 611 168 67 SER CA C 58.174 0.039 1 612 168 67 SER CB C 66.019 0.042 1 613 168 67 SER N N 110.162 0.017 1 614 169 68 ALA H H 9.344 0.003 1 615 169 68 ALA HA H 5.342 0.004 1 616 169 68 ALA HB H 1.289 0.004 1 617 169 68 ALA CA C 50.211 0.139 1 618 169 68 ALA CB C 21.650 0.079 1 619 169 68 ALA N N 124.332 0.028 1 620 170 69 VAL H H 9.004 0.002 1 621 170 69 VAL HA H 4.362 0.011 1 622 170 69 VAL HB H 1.941 0.004 1 623 170 69 VAL HG1 H 0.707 0.008 2 624 170 69 VAL HG2 H 0.485 0.005 2 625 170 69 VAL CA C 60.299 0.039 1 626 170 69 VAL CB C 33.789 0.054 1 627 170 69 VAL CG1 C 21.242 0.101 2 628 170 69 VAL CG2 C 20.598 0.029 2 629 170 69 VAL N N 122.179 0.009 1 630 171 70 GLN H H 9.293 0.003 1 631 171 70 GLN HA H 4.678 0.015 1 632 171 70 GLN HB2 H 2.224 0.018 2 633 171 70 GLN HB3 H 2.224 0.018 2 634 171 70 GLN HE21 H 7.955 0.000 2 635 171 70 GLN HE22 H 6.962 0.000 2 636 171 70 GLN HG2 H 2.704 0.005 2 637 171 70 GLN HG3 H 2.227 0.011 2 638 171 70 GLN CA C 54.690 0.059 1 639 171 70 GLN CB C 29.251 0.034 1 640 171 70 GLN CG C 32.904 0.048 1 641 171 70 GLN N N 128.299 0.023 1 642 171 70 GLN NE2 N 113.269 0.001 1 643 172 71 LEU H H 8.047 0.003 1 644 172 71 LEU HA H 4.889 0.012 1 645 172 71 LEU HB2 H 1.725 0.006 2 646 172 71 LEU HB3 H 1.283 0.007 2 647 172 71 LEU HD1 H 0.617 0.003 2 648 172 71 LEU HD2 H 0.586 0.005 2 649 172 71 LEU HG H 1.427 0.013 1 650 172 71 LEU CA C 54.702 0.078 1 651 172 71 LEU CB C 44.167 0.037 1 652 172 71 LEU CD1 C 22.964 0.062 2 653 172 71 LEU CD2 C 25.442 0.064 2 654 172 71 LEU CG C 27.268 0.093 1 655 172 71 LEU N N 129.093 0.016 1 656 173 72 LEU H H 8.231 0.005 1 657 173 72 LEU HA H 4.044 0.007 1 658 173 72 LEU HB2 H 1.429 0.016 2 659 173 72 LEU HB3 H 1.429 0.016 2 660 173 72 LEU CA C 56.836 0.048 1 661 173 72 LEU CB C 43.349 0.088 1 662 173 72 LEU CD1 C 26.678 0.000 2 663 173 72 LEU CD2 C 22.498 0.000 2 664 173 72 LEU CG C 25.400 0.000 1 665 173 72 LEU N N 120.194 0.022 1 666 174 73 SER H H 6.688 0.003 1 667 174 73 SER HA H 3.226 0.004 1 668 174 73 SER HB2 H 3.562 0.004 2 669 174 73 SER HB3 H 2.612 0.005 2 670 174 73 SER CA C 56.659 0.052 1 671 174 73 SER CB C 61.921 0.045 1 672 174 73 SER N N 103.443 0.037 1 673 175 74 ASP H H 7.555 0.002 1 674 175 74 ASP HA H 4.639 0.006 1 675 175 74 ASP HB2 H 3.021 0.005 2 676 175 74 ASP HB3 H 2.929 0.012 2 677 175 74 ASP CA C 54.701 0.070 1 678 175 74 ASP CB C 41.746 0.024 1 679 175 74 ASP N N 123.105 0.024 1 680 176 75 THR H H 7.743 0.004 1 681 176 75 THR HA H 4.424 0.005 1 682 176 75 THR HB H 4.470 0.008 1 683 176 75 THR HG2 H 1.437 0.010 1 684 176 75 THR CA C 62.467 0.032 1 685 176 75 THR CB C 69.277 0.036 1 686 176 75 THR CG2 C 22.403 0.025 1 687 176 75 THR N N 118.815 0.013 1 688 177 76 ASP H H 8.000 0.002 1 689 177 76 ASP HA H 4.733 0.006 1 690 177 76 ASP HB2 H 2.754 0.004 2 691 177 76 ASP HB3 H 2.278 0.005 2 692 177 76 ASP CA C 52.533 0.026 1 693 177 76 ASP CB C 42.604 0.024 1 694 177 76 ASP N N 125.408 0.012 1 695 178 77 ARG HA H 4.114 0.006 1 696 178 77 ARG HB2 H 1.866 0.005 2 697 178 77 ARG HB3 H 1.866 0.005 2 698 178 77 ARG HD2 H 3.226 0.004 2 699 178 77 ARG HD3 H 3.226 0.004 2 700 178 77 ARG HG2 H 1.665 0.007 2 701 178 77 ARG HG3 H 1.665 0.007 2 702 178 77 ARG CA C 58.054 0.032 1 703 178 77 ARG CB C 30.011 0.030 1 704 178 77 ARG CD C 43.276 0.029 1 705 178 77 ARG CG C 27.005 0.048 1 706 179 78 ASN H H 8.558 0.004 1 707 179 78 ASN HA H 4.736 0.006 1 708 179 78 ASN HB2 H 2.871 0.016 2 709 179 78 ASN HB3 H 2.871 0.016 2 710 179 78 ASN HD21 H 7.735 0.000 2 711 179 78 ASN HD22 H 6.871 0.000 2 712 179 78 ASN CA C 53.491 0.069 1 713 179 78 ASN CB C 38.699 0.030 1 714 179 78 ASN N N 116.998 0.033 1 715 179 78 ASN ND2 N 114.698 0.006 1 716 180 79 ASN H H 8.040 0.007 1 717 180 79 ASN HA H 4.859 0.007 1 718 180 79 ASN HB2 H 3.002 0.007 2 719 180 79 ASN HB3 H 2.408 0.002 2 720 180 79 ASN HD21 H 7.914 0.000 2 721 180 79 ASN HD22 H 6.533 0.000 2 722 180 79 ASN CA C 52.405 0.073 1 723 180 79 ASN CB C 38.332 0.031 1 724 180 79 ASN N N 123.086 0.062 1 725 180 79 ASN ND2 N 112.660 0.003 1 726 181 80 ARG H H 7.566 0.002 1 727 181 80 ARG HA H 4.893 0.005 1 728 181 80 ARG HB2 H 1.744 0.008 2 729 181 80 ARG HB3 H 1.744 0.008 2 730 181 80 ARG HD2 H 3.225 0.003 2 731 181 80 ARG HD3 H 3.225 0.003 2 732 181 80 ARG HG2 H 1.688 0.011 2 733 181 80 ARG HG3 H 1.688 0.011 2 734 181 80 ARG CA C 55.518 0.056 1 735 181 80 ARG CB C 32.640 0.066 1 736 181 80 ARG CD C 44.157 0.026 1 737 181 80 ARG CG C 27.657 0.036 1 738 181 80 ARG N N 121.304 0.006 1 739 182 81 VAL H H 7.860 0.002 1 740 182 81 VAL HA H 4.247 0.005 1 741 182 81 VAL HB H 1.786 0.005 1 742 182 81 VAL HG1 H 0.789 0.004 2 743 182 81 VAL HG2 H 0.716 0.006 2 744 182 81 VAL CA C 61.569 0.017 1 745 182 81 VAL CB C 35.723 0.058 1 746 182 81 VAL CG1 C 20.867 0.027 2 747 182 81 VAL CG2 C 21.152 0.036 2 748 182 81 VAL N N 121.533 0.030 1 749 183 82 ALA H H 8.744 0.001 1 750 183 82 ALA HA H 4.813 0.013 1 751 183 82 ALA HB H 1.536 0.007 1 752 183 82 ALA CA C 53.146 0.077 1 753 183 82 ALA CB C 19.115 0.060 1 754 183 82 ALA N N 133.969 0.011 1 755 184 83 THR H H 8.871 0.003 1 756 184 83 THR HA H 5.403 0.009 1 757 184 83 THR HB H 4.385 0.007 1 758 184 83 THR HG2 H 0.941 0.011 1 759 184 83 THR CA C 59.234 0.040 1 760 184 83 THR CB C 72.166 0.046 1 761 184 83 THR CG2 C 23.191 0.010 1 762 184 83 THR N N 115.155 0.020 1 763 185 84 LYS H H 9.348 0.002 1 764 185 84 LYS HA H 5.084 0.007 1 765 185 84 LYS HB2 H 1.748 0.008 2 766 185 84 LYS HB3 H 1.671 0.012 2 767 185 84 LYS HD2 H 1.753 0.004 2 768 185 84 LYS HD3 H 1.753 0.004 2 769 185 84 LYS HE2 H 2.964 0.015 2 770 185 84 LYS HE3 H 2.964 0.015 2 771 185 84 LYS HG2 H 1.375 0.003 2 772 185 84 LYS HG3 H 1.249 0.006 2 773 185 84 LYS CA C 55.027 0.064 1 774 185 84 LYS CB C 36.212 0.049 1 775 185 84 LYS CD C 30.114 0.007 1 776 185 84 LYS CE C 41.686 0.008 1 777 185 84 LYS CG C 23.999 0.066 1 778 185 84 LYS N N 121.521 0.020 1 779 186 85 ILE H H 7.829 0.002 1 780 186 85 ILE HA H 4.699 0.015 1 781 186 85 ILE HB H 1.203 0.007 1 782 186 85 ILE HD1 H 0.514 0.010 1 783 186 85 ILE HG12 H 1.269 0.004 2 784 186 85 ILE HG13 H 0.636 0.004 2 785 186 85 ILE HG2 H 0.764 0.003 1 786 186 85 ILE CA C 60.402 0.021 1 787 186 85 ILE CB C 40.388 0.073 1 788 186 85 ILE CD1 C 15.478 0.018 1 789 186 85 ILE CG1 C 27.921 0.079 1 790 186 85 ILE CG2 C 19.641 0.046 1 791 186 85 ILE N N 124.706 0.013 1 792 187 86 SER H H 9.286 0.002 1 793 187 86 SER HA H 4.902 0.006 1 794 187 86 SER HB2 H 3.837 0.006 2 795 187 86 SER HB3 H 3.691 0.005 2 796 187 86 SER CA C 58.333 0.032 1 797 187 86 SER CB C 65.626 0.039 1 798 187 86 SER N N 124.819 0.028 1 799 188 87 GLY H H 7.958 0.002 1 800 188 87 GLY HA2 H 4.784 0.006 2 801 188 87 GLY HA3 H 3.878 0.002 2 802 188 87 GLY CA C 44.458 0.048 1 803 188 87 GLY N N 110.891 0.015 1 804 190 89 LYS HA H 4.485 0.006 1 805 190 89 LYS HB2 H 2.012 0.005 2 806 190 89 LYS HB3 H 1.662 0.003 2 807 190 89 LYS HD2 H 1.698 0.010 2 808 190 89 LYS HD3 H 1.698 0.010 2 809 190 89 LYS HE2 H 3.018 0.026 2 810 190 89 LYS HE3 H 3.018 0.026 2 811 190 89 LYS HG2 H 1.415 0.018 2 812 190 89 LYS HG3 H 1.415 0.018 2 813 190 89 LYS CA C 55.302 0.075 1 814 190 89 LYS CB C 32.248 0.053 1 815 190 89 LYS CD C 28.866 0.003 1 816 190 89 LYS CE C 42.023 0.037 1 817 190 89 LYS CG C 24.915 0.005 1 818 191 90 GLY H H 7.491 0.002 1 819 191 90 GLY HA2 H 4.460 0.002 2 820 191 90 GLY HA3 H 3.801 0.004 2 821 191 90 GLY CA C 44.315 0.008 1 822 191 90 GLY N N 108.485 0.017 1 823 192 91 SER HA H 4.508 0.006 1 824 192 91 SER HB2 H 3.846 0.021 2 825 192 91 SER HB3 H 3.846 0.021 2 826 192 91 SER CA C 59.170 0.040 1 827 192 91 SER CB C 63.813 0.056 1 828 193 92 LYS H H 9.157 0.003 1 829 193 92 LYS HA H 4.427 0.009 1 830 193 92 LYS HB2 H 1.647 0.015 2 831 193 92 LYS HB3 H 1.308 0.006 2 832 193 92 LYS HD2 H 1.562 0.005 2 833 193 92 LYS HD3 H 1.371 0.005 2 834 193 92 LYS HE2 H 2.879 0.007 2 835 193 92 LYS HE3 H 2.705 0.010 2 836 193 92 LYS HG2 H 1.112 0.009 2 837 193 92 LYS HG3 H 1.112 0.009 2 838 193 92 LYS CA C 56.001 0.057 1 839 193 92 LYS CB C 34.753 0.047 1 840 193 92 LYS CD C 29.579 0.047 1 841 193 92 LYS CE C 42.199 0.058 1 842 193 92 LYS CG C 25.047 0.089 1 843 193 92 LYS N N 121.103 0.014 1 844 194 93 GLY H H 7.403 0.003 1 845 194 93 GLY HA2 H 4.768 0.011 2 846 194 93 GLY HA3 H 3.333 0.005 2 847 194 93 GLY CA C 44.610 0.058 1 848 194 93 GLY N N 106.496 0.013 1 849 195 94 TYR H H 8.792 0.002 1 850 195 94 TYR HA H 5.469 0.003 1 851 195 94 TYR HB2 H 3.540 0.003 2 852 195 94 TYR HB3 H 2.590 0.005 2 853 195 94 TYR HD1 H 7.278 0.015 3 854 195 94 TYR HD2 H 7.278 0.015 3 855 195 94 TYR HE1 H 6.825 0.017 3 856 195 94 TYR HE2 H 6.825 0.017 3 857 195 94 TYR CA C 57.008 0.049 1 858 195 94 TYR CB C 42.664 0.061 1 859 195 94 TYR CD1 C 133.204 0.059 3 860 195 94 TYR CE1 C 117.744 0.138 3 861 195 94 TYR N N 118.956 0.006 1 862 196 95 GLY H H 8.559 0.003 1 863 196 95 GLY HA2 H 4.918 0.005 2 864 196 95 GLY HA3 H 3.656 0.005 2 865 196 95 GLY CA C 45.299 0.042 1 866 196 95 GLY N N 112.232 0.033 1 867 197 96 LEU H H 8.595 0.003 1 868 197 96 LEU HA H 4.986 0.008 1 869 197 96 LEU HB2 H 1.716 0.007 2 870 197 96 LEU HB3 H 1.260 0.002 2 871 197 96 LEU HD1 H 0.815 0.003 2 872 197 96 LEU HD2 H 0.786 0.006 2 873 197 96 LEU HG H 1.262 0.004 1 874 197 96 LEU CA C 54.441 0.060 1 875 197 96 LEU CB C 46.253 0.047 1 876 197 96 LEU CD1 C 25.293 0.052 2 877 197 96 LEU CD2 C 23.340 0.141 2 878 197 96 LEU CG C 26.682 0.089 1 879 197 96 LEU N N 123.155 0.024 1 880 198 97 ILE H H 9.408 0.002 1 881 198 97 ILE HA H 4.552 0.009 1 882 198 97 ILE HB H 2.033 0.003 1 883 198 97 ILE HD1 H 0.742 0.007 1 884 198 97 ILE HG12 H 1.479 0.005 2 885 198 97 ILE HG13 H 1.117 0.013 2 886 198 97 ILE HG2 H 1.086 0.011 1 887 198 97 ILE CA C 60.931 0.034 1 888 198 97 ILE CB C 37.389 0.067 1 889 198 97 ILE CD1 C 12.922 0.024 1 890 198 97 ILE CG1 C 28.111 0.047 1 891 198 97 ILE CG2 C 18.577 0.010 1 892 198 97 ILE N N 129.161 0.022 1 893 199 98 GLU H H 8.573 0.003 1 894 199 98 GLU HA H 4.562 0.007 1 895 199 98 GLU HB2 H 2.056 0.015 2 896 199 98 GLU HB3 H 1.794 0.009 2 897 199 98 GLU HG2 H 2.179 0.002 2 898 199 98 GLU HG3 H 2.038 0.003 2 899 199 98 GLU CA C 55.778 0.050 1 900 199 98 GLU CB C 31.785 0.058 1 901 199 98 GLU CG C 36.646 0.039 1 902 199 98 GLU N N 126.730 0.036 1 903 200 99 GLY H H 7.587 0.003 1 904 200 99 GLY HA2 H 4.264 0.011 2 905 200 99 GLY HA3 H 4.103 0.006 2 906 200 99 GLY CA C 45.355 0.037 1 907 200 99 GLY N N 107.744 0.012 1 908 201 100 TYR H H 8.314 0.003 1 909 201 100 TYR HA H 4.817 0.006 1 910 201 100 TYR HB2 H 3.004 0.005 2 911 201 100 TYR HB3 H 2.678 0.002 2 912 201 100 TYR HD1 H 6.798 0.015 3 913 201 100 TYR HD2 H 6.798 0.015 3 914 201 100 TYR HE1 H 6.545 0.015 3 915 201 100 TYR HE2 H 6.545 0.015 3 916 201 100 TYR CA C 57.326 0.065 1 917 201 100 TYR CB C 41.510 0.060 1 918 201 100 TYR CD1 C 132.875 0.055 3 919 201 100 TYR CE1 C 116.691 0.011 3 920 201 100 TYR N N 121.710 0.018 1 921 202 101 ASP H H 8.476 0.003 1 922 202 101 ASP HA H 4.758 0.004 1 923 202 101 ASP CA C 52.592 0.069 1 924 202 101 ASP CB C 42.673 0.020 1 925 202 101 ASP N N 129.186 0.021 1 926 203 102 LYS H H 8.629 0.002 1 927 203 102 LYS HA H 3.901 0.008 1 928 203 102 LYS HB2 H 1.989 0.007 2 929 203 102 LYS HB3 H 1.877 0.003 2 930 203 102 LYS HD2 H 1.742 0.003 2 931 203 102 LYS HD3 H 1.742 0.003 2 932 203 102 LYS HE2 H 3.020 0.009 2 933 203 102 LYS HE3 H 3.020 0.009 2 934 203 102 LYS HG2 H 1.535 0.010 2 935 203 102 LYS HG3 H 1.535 0.010 2 936 203 102 LYS CA C 58.691 0.052 1 937 203 102 LYS CB C 32.549 0.037 1 938 203 102 LYS CD C 29.634 0.018 1 939 203 102 LYS CE C 42.009 0.036 1 940 203 102 LYS CG C 24.387 0.026 1 941 203 102 LYS N N 126.455 0.014 1 942 204 103 GLU H H 8.113 0.002 1 943 204 103 GLU HA H 4.135 0.010 1 944 204 103 GLU HB2 H 2.111 0.004 2 945 204 103 GLU HB3 H 2.044 0.010 2 946 204 103 GLU HG2 H 2.240 0.009 2 947 204 103 GLU HG3 H 2.240 0.009 2 948 204 103 GLU CA C 58.732 0.055 1 949 204 103 GLU CB C 29.454 0.070 1 950 204 103 GLU CG C 36.587 0.027 1 951 204 103 GLU N N 121.112 0.012 1 952 205 104 LYS H H 7.919 0.003 1 953 205 104 LYS HA H 3.945 0.006 1 954 205 104 LYS HB2 H 1.479 0.004 2 955 205 104 LYS HB3 H 1.029 0.008 2 956 205 104 LYS HD2 H 0.895 0.004 2 957 205 104 LYS HD3 H 0.895 0.004 2 958 205 104 LYS HE2 H 2.488 0.003 2 959 205 104 LYS HE3 H 2.488 0.003 2 960 205 104 LYS HG2 H 1.187 0.006 2 961 205 104 LYS HG3 H 1.046 0.007 2 962 205 104 LYS CA C 56.552 0.072 1 963 205 104 LYS CB C 33.352 0.042 1 964 205 104 LYS CD C 28.862 0.024 1 965 205 104 LYS CE C 41.621 0.029 1 966 205 104 LYS CG C 25.072 0.010 1 967 205 104 LYS N N 117.817 0.019 1 968 206 105 LYS H H 7.968 0.004 1 969 206 105 LYS HA H 3.664 0.004 1 970 206 105 LYS HB2 H 2.199 0.005 2 971 206 105 LYS HB3 H 1.867 0.005 2 972 206 105 LYS HD2 H 1.723 0.003 2 973 206 105 LYS HD3 H 1.723 0.003 2 974 206 105 LYS HE2 H 3.069 0.004 2 975 206 105 LYS HE3 H 3.069 0.004 2 976 206 105 LYS HG2 H 1.347 0.008 2 977 206 105 LYS HG3 H 1.347 0.008 2 978 206 105 LYS CA C 56.980 0.057 1 979 206 105 LYS CB C 28.601 0.051 1 980 206 105 LYS CD C 29.609 0.017 1 981 206 105 LYS CE C 42.474 0.013 1 982 206 105 LYS CG C 24.738 0.054 1 983 206 105 LYS N N 117.156 0.026 1 984 207 106 ARG H H 7.008 0.004 1 985 207 106 ARG HA H 4.908 0.007 1 986 207 106 ARG HB2 H 1.785 0.010 2 987 207 106 ARG HB3 H 1.388 0.007 2 988 207 106 ARG HD2 H 3.367 0.006 2 989 207 106 ARG HD3 H 2.733 0.006 2 990 207 106 ARG HG2 H 1.676 0.006 2 991 207 106 ARG HG3 H 1.417 0.010 2 992 207 106 ARG CA C 52.104 0.102 1 993 207 106 ARG CB C 35.937 0.038 1 994 207 106 ARG CD C 42.493 0.054 1 995 207 106 ARG CG C 25.761 0.028 1 996 207 106 ARG N N 115.961 0.017 1 997 208 107 LEU H H 9.252 0.005 1 998 208 107 LEU HA H 4.899 0.007 1 999 208 107 LEU HB2 H 1.808 0.017 2 1000 208 107 LEU HB3 H 1.561 0.007 2 1001 208 107 LEU HD1 H 1.890 0.000 2 1002 208 107 LEU HD2 H 1.042 0.004 2 1003 208 107 LEU HG H 0.828 0.013 1 1004 208 107 LEU CA C 54.446 0.067 1 1005 208 107 LEU CB C 43.250 0.045 1 1006 208 107 LEU CD1 C 27.003 0.000 2 1007 208 107 LEU CD2 C 23.904 0.099 2 1008 208 107 LEU CG C 26.676 0.058 1 1009 208 107 LEU N N 121.957 0.019 1 1010 209 108 LYS H H 8.626 0.004 1 1011 209 108 LYS HA H 4.229 0.004 1 1012 209 108 LYS HB2 H 1.617 0.023 2 1013 209 108 LYS HB3 H 1.533 0.003 2 1014 209 108 LYS HD2 H 1.616 0.011 2 1015 209 108 LYS HD3 H 1.616 0.011 2 1016 209 108 LYS HE2 H 2.828 0.004 2 1017 209 108 LYS HE3 H 2.780 0.012 2 1018 209 108 LYS HG2 H 1.076 0.007 2 1019 209 108 LYS HG3 H 0.972 0.005 2 1020 209 108 LYS CA C 56.193 0.073 1 1021 209 108 LYS CB C 33.866 0.042 1 1022 209 108 LYS CD C 29.538 0.008 1 1023 209 108 LYS CE C 41.988 0.031 1 1024 209 108 LYS CG C 25.494 0.076 1 1025 209 108 LYS N N 125.174 0.018 1 1026 210 109 MET H H 8.914 0.002 1 1027 210 109 MET HA H 5.402 0.006 1 1028 210 109 MET HB2 H 2.223 0.008 2 1029 210 109 MET HB3 H 1.393 0.006 2 1030 210 109 MET HG2 H 2.478 0.008 2 1031 210 109 MET HG3 H 2.478 0.008 2 1032 210 109 MET CA C 53.468 0.073 1 1033 210 109 MET CB C 38.431 0.067 1 1034 210 109 MET CG C 31.940 0.025 1 1035 210 109 MET N N 128.822 0.009 1 1036 211 110 THR H H 8.885 0.003 1 1037 211 110 THR HA H 4.594 0.006 1 1038 211 110 THR HB H 4.227 0.004 1 1039 211 110 THR HG2 H 1.210 0.002 1 1040 211 110 THR CA C 61.233 0.028 1 1041 211 110 THR CB C 69.980 0.044 1 1042 211 110 THR CG2 C 22.124 0.030 1 1043 211 110 THR N N 122.497 0.035 1 1044 212 111 ILE H H 8.651 0.004 1 1045 212 111 ILE HA H 4.119 0.003 1 1046 212 111 ILE HB H 1.967 0.005 1 1047 212 111 ILE HD1 H 0.574 0.009 1 1048 212 111 ILE HG12 H 1.207 0.016 2 1049 212 111 ILE HG13 H 1.151 0.007 2 1050 212 111 ILE HG2 H 0.759 0.007 1 1051 212 111 ILE CA C 61.538 0.030 1 1052 212 111 ILE CB C 37.472 0.051 1 1053 212 111 ILE CD1 C 12.968 0.103 1 1054 212 111 ILE CG1 C 29.575 0.056 1 1055 212 111 ILE CG2 C 18.456 0.049 1 1056 212 111 ILE N N 125.102 0.018 1 1057 213 112 ILE H H 8.698 0.005 1 1058 213 112 ILE HA H 4.313 0.006 1 1059 213 112 ILE HB H 1.750 0.003 1 1060 213 112 ILE HD1 H 0.770 0.008 1 1061 213 112 ILE HG12 H 1.348 0.004 2 1062 213 112 ILE HG13 H 1.051 0.009 2 1063 213 112 ILE HG2 H 0.901 0.004 1 1064 213 112 ILE CA C 61.107 0.025 1 1065 213 112 ILE CB C 38.591 0.055 1 1066 213 112 ILE CD1 C 11.469 0.078 1 1067 213 112 ILE CG1 C 27.048 0.045 1 1068 213 112 ILE CG2 C 17.394 0.044 1 1069 213 112 ILE N N 127.660 0.045 1 1070 214 113 GLU H H 7.878 0.003 1 1071 214 113 GLU HA H 4.600 0.004 1 1072 214 113 GLU HB2 H 2.146 0.008 2 1073 214 113 GLU HB3 H 2.034 0.008 2 1074 214 113 GLU HG2 H 2.334 0.014 2 1075 214 113 GLU HG3 H 2.334 0.014 2 1076 214 113 GLU CA C 56.018 0.051 1 1077 214 113 GLU CB C 33.887 0.052 1 1078 214 113 GLU CG C 36.319 0.026 1 1079 214 113 GLU N N 121.019 0.021 1 1080 215 114 ARG H H 8.700 0.002 1 1081 215 114 ARG HA H 4.860 0.006 1 1082 215 114 ARG HB2 H 1.918 0.007 2 1083 215 114 ARG HB3 H 1.632 0.018 2 1084 215 114 ARG HD2 H 3.370 0.005 2 1085 215 114 ARG HD3 H 3.231 0.004 2 1086 215 114 ARG HG2 H 1.556 0.010 2 1087 215 114 ARG HG3 H 1.556 0.010 2 1088 215 114 ARG CA C 54.754 0.066 1 1089 215 114 ARG CB C 32.534 0.039 1 1090 215 114 ARG CD C 43.222 0.023 1 1091 215 114 ARG CG C 27.907 0.033 1 1092 215 114 ARG N N 125.241 0.008 1 1093 216 115 LYS H H 8.135 0.002 1 1094 216 115 LYS HA H 4.345 0.007 1 1095 216 115 LYS HB2 H 1.703 0.011 2 1096 216 115 LYS HB3 H 1.400 0.004 2 1097 216 115 LYS HD2 H 1.591 0.007 2 1098 216 115 LYS HD3 H 1.591 0.007 2 1099 216 115 LYS HE2 H 2.915 0.004 2 1100 216 115 LYS HE3 H 2.915 0.004 2 1101 216 115 LYS HG2 H 1.266 0.004 2 1102 216 115 LYS HG3 H 1.266 0.004 2 1103 216 115 LYS CA C 55.616 0.088 1 1104 216 115 LYS CB C 33.221 0.019 1 1105 216 115 LYS CD C 28.709 0.005 1 1106 216 115 LYS CE C 42.040 0.004 1 1107 216 115 LYS CG C 24.699 0.006 1 1108 216 115 LYS N N 124.763 0.014 1 1109 217 116 ASP H H 8.640 0.003 1 1110 217 116 ASP HA H 4.355 0.004 1 1111 217 116 ASP HB2 H 2.695 0.009 2 1112 217 116 ASP HB3 H 2.695 0.009 2 1113 217 116 ASP CA C 55.843 0.056 1 1114 217 116 ASP CB C 41.086 0.021 1 1115 217 116 ASP N N 123.537 0.009 1 1116 218 117 LYS H H 8.534 0.002 1 1117 218 117 LYS HA H 3.941 0.005 1 1118 218 117 LYS HB2 H 1.983 0.009 2 1119 218 117 LYS HB3 H 1.983 0.009 2 1120 218 117 LYS HD2 H 1.657 0.005 2 1121 218 117 LYS HD3 H 1.657 0.005 2 1122 218 117 LYS HE2 H 3.008 0.002 2 1123 218 117 LYS HE3 H 3.008 0.002 2 1124 218 117 LYS HG2 H 1.386 0.012 2 1125 218 117 LYS HG3 H 1.386 0.012 2 1126 218 117 LYS CA C 57.510 0.047 1 1127 218 117 LYS CB C 30.477 0.032 1 1128 218 117 LYS CD C 29.002 0.007 1 1129 218 117 LYS CE C 42.202 0.002 1 1130 218 117 LYS CG C 25.121 0.008 1 1131 218 117 LYS N N 117.088 0.013 1 1132 219 118 GLN H H 7.967 0.002 1 1133 219 118 GLN HA H 4.496 0.011 1 1134 219 118 GLN HB2 H 2.027 0.007 2 1135 219 118 GLN HB3 H 2.027 0.007 2 1136 219 118 GLN HG2 H 2.429 0.007 2 1137 219 118 GLN HG3 H 2.274 0.002 2 1138 219 118 GLN CA C 55.024 0.058 1 1139 219 118 GLN CB C 31.122 0.061 1 1140 219 118 GLN CG C 33.985 0.028 1 1141 219 118 GLN N N 119.537 0.007 1 1142 220 119 ASP H H 8.326 0.003 1 1143 220 119 ASP HA H 4.847 0.003 1 1144 220 119 ASP HB2 H 2.583 0.008 2 1145 220 119 ASP HB3 H 2.494 0.013 2 1146 220 119 ASP CA C 52.493 0.058 1 1147 220 119 ASP CB C 43.448 0.054 1 1148 220 119 ASP N N 119.259 0.007 1 1149 221 120 VAL H H 8.718 0.002 1 1150 221 120 VAL HA H 4.022 0.007 1 1151 221 120 VAL HB H 1.665 0.005 1 1152 221 120 VAL HG1 H 0.899 0.009 2 1153 221 120 VAL HG2 H 0.824 0.004 2 1154 221 120 VAL CA C 62.499 0.022 1 1155 221 120 VAL CB C 32.220 0.074 1 1156 221 120 VAL CG1 C 23.281 0.115 2 1157 221 120 VAL CG2 C 21.599 0.029 2 1158 221 120 VAL N N 124.518 0.018 1 1159 222 121 LYS H H 9.015 0.002 1 1160 222 121 LYS HA H 4.561 0.004 1 1161 222 121 LYS HB2 H 1.820 0.007 2 1162 222 121 LYS HB3 H 1.578 0.008 2 1163 222 121 LYS HD2 H 1.593 0.011 2 1164 222 121 LYS HD3 H 1.593 0.011 2 1165 222 121 LYS HE2 H 2.896 0.011 2 1166 222 121 LYS HE3 H 2.896 0.011 2 1167 222 121 LYS HG2 H 1.370 0.010 2 1168 222 121 LYS HG3 H 1.247 0.003 2 1169 222 121 LYS CA C 53.586 0.061 1 1170 222 121 LYS CB C 36.888 0.054 1 1171 222 121 LYS CD C 28.744 0.040 1 1172 222 121 LYS CE C 42.329 0.003 1 1173 222 121 LYS CG C 23.753 0.013 1 1174 222 121 LYS N N 128.429 0.036 1 1175 223 122 LYS H H 8.314 0.001 1 1176 223 122 LYS HA H 3.538 0.005 1 1177 223 122 LYS HB2 H 1.647 0.014 2 1178 223 122 LYS HB3 H 1.647 0.014 2 1179 223 122 LYS HD2 H 1.745 0.009 2 1180 223 122 LYS HD3 H 1.745 0.009 2 1181 223 122 LYS HE2 H 3.091 0.003 2 1182 223 122 LYS HE3 H 3.091 0.003 2 1183 223 122 LYS HG2 H 1.197 0.010 2 1184 223 122 LYS HG3 H 1.197 0.010 2 1185 223 122 LYS CA C 58.880 0.040 1 1186 223 122 LYS CB C 32.282 0.053 1 1187 223 122 LYS CD C 29.702 0.009 1 1188 223 122 LYS CE C 41.909 0.023 1 1189 223 122 LYS CG C 25.385 0.061 1 1190 223 122 LYS N N 120.115 0.010 1 1191 224 123 GLY H H 9.127 0.003 1 1192 224 123 GLY HA2 H 4.466 0.001 2 1193 224 123 GLY HA3 H 3.776 0.003 2 1194 224 123 GLY CA C 44.502 0.039 1 1195 224 123 GLY N N 115.349 0.012 1 1196 225 124 ASP H H 7.716 0.001 1 1197 225 124 ASP HA H 4.695 0.008 1 1198 225 124 ASP HB2 H 2.501 0.005 2 1199 225 124 ASP HB3 H 2.426 0.005 2 1200 225 124 ASP CA C 56.040 0.046 1 1201 225 124 ASP CB C 40.625 0.029 1 1202 225 124 ASP N N 122.953 0.011 1 1203 226 125 LEU H H 8.614 0.004 1 1204 226 125 LEU HA H 4.616 0.010 1 1205 226 125 LEU HB2 H 1.737 0.006 2 1206 226 125 LEU HB3 H 1.654 0.012 2 1207 226 125 LEU HD1 H 0.862 0.001 2 1208 226 125 LEU HD2 H 0.952 0.005 2 1209 226 125 LEU HG H 1.564 0.005 1 1210 226 125 LEU CA C 54.851 0.063 1 1211 226 125 LEU CB C 43.648 0.060 1 1212 226 125 LEU CD1 C 24.715 0.006 2 1213 226 125 LEU CD2 C 23.453 0.036 2 1214 226 125 LEU CG C 27.666 0.071 1 1215 226 125 LEU N N 123.481 0.028 1 1216 227 126 ILE H H 8.856 0.003 1 1217 227 126 ILE HA H 4.897 0.005 1 1218 227 126 ILE HB H 1.943 0.008 1 1219 227 126 ILE HD1 H 0.567 0.003 1 1220 227 126 ILE HG12 H 1.683 0.003 2 1221 227 126 ILE HG13 H 1.121 0.010 2 1222 227 126 ILE HG2 H 0.918 0.006 1 1223 227 126 ILE CA C 57.462 0.049 1 1224 227 126 ILE CB C 36.051 0.052 1 1225 227 126 ILE CD1 C 11.735 0.088 1 1226 227 126 ILE CG1 C 26.587 0.042 1 1227 227 126 ILE CG2 C 18.845 0.007 1 1228 227 126 ILE N N 124.635 0.024 1 1229 228 127 GLU H H 8.665 0.003 1 1230 228 127 GLU HA H 5.443 0.002 1 1231 228 127 GLU HB2 H 1.873 0.008 2 1232 228 127 GLU HB3 H 1.820 0.006 2 1233 228 127 GLU HG2 H 2.070 0.000 2 1234 228 127 GLU HG3 H 2.070 0.000 2 1235 228 127 GLU CA C 53.843 0.046 1 1236 228 127 GLU CB C 36.329 0.055 1 1237 228 127 GLU CG C 38.757 0.000 1 1238 228 127 GLU N N 127.850 0.022 1 1239 229 128 THR H H 9.194 0.003 1 1240 229 128 THR HA H 4.427 0.007 1 1241 229 128 THR HB H 4.840 0.007 1 1242 229 128 THR HG2 H 1.261 0.004 1 1243 229 128 THR CA C 62.536 0.043 1 1244 229 128 THR CB C 68.524 0.034 1 1245 229 128 THR CG2 C 25.944 0.123 1 1246 229 128 THR N N 113.196 0.020 1 1247 230 129 SER H H 8.107 0.002 1 1248 230 129 SER HA H 4.677 0.009 1 1249 230 129 SER HB2 H 4.090 0.010 2 1250 230 129 SER HB3 H 3.658 0.005 2 1251 230 129 SER CA C 57.681 0.048 1 1252 230 129 SER CB C 64.436 0.033 1 1253 230 129 SER N N 117.380 0.010 1 1254 231 130 GLY H H 9.284 0.003 1 1255 231 130 GLY HA2 H 4.381 0.001 2 1256 231 130 GLY HA3 H 4.032 0.001 2 1257 231 130 GLY CA C 45.673 0.035 1 1258 231 130 GLY N N 113.435 0.018 1 1259 232 131 THR H H 7.786 0.002 1 1260 232 131 THR HA H 4.225 0.005 1 1261 232 131 THR HB H 4.046 0.003 1 1262 232 131 THR HG2 H 1.079 0.003 1 1263 232 131 THR CA C 62.960 0.025 1 1264 232 131 THR CB C 69.151 0.022 1 1265 232 131 THR CG2 C 21.647 0.017 1 1266 232 131 THR N N 114.985 0.008 1 1267 233 132 GLY HA2 H 4.105 0.014 2 1268 233 132 GLY HA3 H 3.918 0.002 2 1269 233 132 GLY CA C 45.641 0.038 1 1270 234 133 GLY H H 8.048 0.003 1 1271 234 133 GLY HA2 H 4.066 0.002 2 1272 234 133 GLY HA3 H 4.066 0.002 2 1273 234 133 GLY CA C 45.770 0.039 1 1274 234 133 GLY N N 108.917 0.012 1 1275 235 134 VAL H H 7.899 0.003 1 1276 235 134 VAL HA H 4.033 0.006 1 1277 235 134 VAL HB H 2.113 0.006 1 1278 235 134 VAL HG1 H 0.686 0.007 2 1279 235 134 VAL HG2 H 0.798 0.005 2 1280 235 134 VAL CA C 63.852 0.058 1 1281 235 134 VAL CB C 32.446 0.063 1 1282 235 134 VAL CG1 C 21.127 0.039 2 1283 235 134 VAL CG2 C 20.520 0.076 2 1284 235 134 VAL N N 118.434 0.021 1 1285 236 135 PHE H H 8.183 0.003 1 1286 236 135 PHE HA H 4.945 0.006 1 1287 236 135 PHE HB2 H 3.251 0.010 2 1288 236 135 PHE HB3 H 3.060 0.003 2 1289 236 135 PHE HD1 H 7.428 0.012 3 1290 236 135 PHE HD2 H 7.428 0.012 3 1291 236 135 PHE HE1 H 7.442 0.022 3 1292 236 135 PHE HE2 H 7.442 0.022 3 1293 236 135 PHE HZ H 7.240 0.015 1 1294 236 135 PHE CA C 54.924 0.063 1 1295 236 135 PHE CB C 38.742 0.058 1 1296 236 135 PHE CD1 C 130.880 0.087 3 1297 236 135 PHE CE1 C 131.584 0.079 3 1298 236 135 PHE CZ C 128.936 0.052 1 1299 236 135 PHE N N 121.852 0.048 1 1300 237 136 PRO HA H 4.616 0.004 1 1301 237 136 PRO HB2 H 1.984 0.013 2 1302 237 136 PRO HB3 H 1.692 0.024 2 1303 237 136 PRO HD2 H 3.907 0.007 2 1304 237 136 PRO HD3 H 3.328 0.008 2 1305 237 136 PRO HG2 H 1.627 0.013 2 1306 237 136 PRO HG3 H 1.627 0.013 2 1307 237 136 PRO CA C 61.806 0.034 1 1308 237 136 PRO CB C 31.761 0.027 1 1309 237 136 PRO CD C 49.963 0.027 1 1310 237 136 PRO CG C 26.955 0.021 1 1311 238 137 GLU H H 8.733 0.003 1 1312 238 137 GLU HA H 3.736 0.006 1 1313 238 137 GLU HB2 H 1.985 0.010 2 1314 238 137 GLU HB3 H 1.906 0.011 2 1315 238 137 GLU HG2 H 2.312 0.006 2 1316 238 137 GLU HG3 H 2.173 0.004 2 1317 238 137 GLU CA C 56.433 0.067 1 1318 238 137 GLU CB C 30.814 0.049 1 1319 238 137 GLU CG C 36.007 0.011 1 1320 238 137 GLU N N 123.912 0.023 1 1321 239 138 GLY H H 8.562 0.004 1 1322 239 138 GLY HA2 H 4.203 0.007 2 1323 239 138 GLY HA3 H 3.753 0.003 2 1324 239 138 GLY CA C 46.186 0.048 1 1325 239 138 GLY N N 112.163 0.028 1 1326 240 139 LEU H H 8.395 0.001 1 1327 240 139 LEU HA H 4.792 0.007 1 1328 240 139 LEU HB2 H 2.016 0.009 2 1329 240 139 LEU HB3 H 1.147 0.009 2 1330 240 139 LEU HD1 H 0.745 0.015 2 1331 240 139 LEU HD2 H 0.781 0.009 2 1332 240 139 LEU HG H 1.482 0.010 1 1333 240 139 LEU CA C 53.784 0.089 1 1334 240 139 LEU CB C 41.043 0.062 1 1335 240 139 LEU CD1 C 22.402 0.099 2 1336 240 139 LEU CD2 C 22.484 0.205 2 1337 240 139 LEU CG C 26.496 0.138 1 1338 240 139 LEU N N 120.633 0.010 1 1339 241 140 THR H H 8.815 0.004 1 1340 241 140 THR HA H 3.857 0.006 1 1341 241 140 THR HB H 3.937 0.003 1 1342 241 140 THR HG2 H 1.141 0.005 1 1343 241 140 THR CA C 66.126 0.042 1 1344 241 140 THR CB C 69.614 0.069 1 1345 241 140 THR CG2 C 21.865 0.090 1 1346 241 140 THR N N 122.710 0.030 1 1347 242 141 ILE H H 9.007 0.003 1 1348 242 141 ILE HA H 4.246 0.010 1 1349 242 141 ILE HB H 1.393 0.004 1 1350 242 141 ILE HD1 H 0.593 0.013 1 1351 242 141 ILE HG12 H 1.805 0.009 2 1352 242 141 ILE HG13 H 1.805 0.009 2 1353 242 141 ILE HG2 H 0.623 0.003 1 1354 242 141 ILE CA C 63.494 0.034 1 1355 242 141 ILE CB C 38.703 0.046 1 1356 242 141 ILE CD1 C 14.732 0.058 1 1357 242 141 ILE CG1 C 28.187 0.022 1 1358 242 141 ILE CG2 C 17.080 0.021 1 1359 242 141 ILE N N 125.091 0.014 1 1360 243 142 GLY H H 7.896 0.003 1 1361 243 142 GLY HA2 H 4.780 0.008 2 1362 243 142 GLY HA3 H 3.983 0.010 2 1363 243 142 GLY CA C 46.584 0.054 1 1364 243 142 GLY N N 106.103 0.027 1 1365 244 143 GLU H H 7.772 0.002 1 1366 244 143 GLU HA H 5.470 0.007 1 1367 244 143 GLU HB2 H 1.905 0.008 2 1368 244 143 GLU HB3 H 1.905 0.008 2 1369 244 143 GLU HG2 H 2.137 0.012 2 1370 244 143 GLU HG3 H 2.060 0.017 2 1371 244 143 GLU CA C 53.687 0.046 1 1372 244 143 GLU CB C 34.433 0.058 1 1373 244 143 GLU CG C 36.101 0.060 1 1374 244 143 GLU N N 120.486 0.009 1 1375 245 144 VAL H H 8.951 0.002 1 1376 245 144 VAL HA H 4.279 0.009 1 1377 245 144 VAL HB H 2.280 0.007 1 1378 245 144 VAL HG1 H 0.823 0.010 2 1379 245 144 VAL HG2 H 0.768 0.013 2 1380 245 144 VAL CA C 63.493 0.028 1 1381 245 144 VAL CB C 32.172 0.050 1 1382 245 144 VAL CG1 C 22.877 0.063 2 1383 245 144 VAL CG2 C 22.759 0.063 2 1384 245 144 VAL N N 125.530 0.009 1 1385 246 145 THR H H 9.376 0.002 1 1386 246 145 THR HA H 4.678 0.003 1 1387 246 145 THR HB H 4.477 0.011 1 1388 246 145 THR HG2 H 1.254 0.010 1 1389 246 145 THR CA C 62.523 0.043 1 1390 246 145 THR CB C 69.662 0.047 1 1391 246 145 THR CG2 C 21.963 0.039 1 1392 246 145 THR N N 120.870 0.012 1 1393 247 146 ASP H H 7.600 0.002 1 1394 247 146 ASP HA H 5.107 0.005 1 1395 247 146 ASP HB2 H 2.657 0.006 2 1396 247 146 ASP HB3 H 2.476 0.005 2 1397 247 146 ASP CA C 53.874 0.086 1 1398 247 146 ASP CB C 45.566 0.043 1 1399 247 146 ASP N N 119.936 0.025 1 1400 248 147 ILE H H 9.029 0.001 1 1401 248 147 ILE HA H 5.105 0.007 1 1402 248 147 ILE HB H 1.938 0.004 1 1403 248 147 ILE HD1 H 0.835 0.020 1 1404 248 147 ILE HG12 H 1.423 0.001 2 1405 248 147 ILE HG13 H 1.011 0.007 2 1406 248 147 ILE HG2 H 0.773 0.010 1 1407 248 147 ILE CA C 59.691 0.031 1 1408 248 147 ILE CB C 42.906 0.053 1 1409 248 147 ILE CD1 C 14.065 0.062 1 1410 248 147 ILE CG1 C 26.039 0.088 1 1411 248 147 ILE CG2 C 19.491 0.052 1 1412 248 147 ILE N N 117.854 0.012 1 1413 249 148 GLU H H 8.833 0.002 1 1414 249 148 GLU HA H 4.779 0.008 1 1415 249 148 GLU HB2 H 2.103 0.011 2 1416 249 148 GLU HB3 H 1.943 0.006 2 1417 249 148 GLU HG2 H 2.303 0.005 2 1418 249 148 GLU HG3 H 2.303 0.005 2 1419 249 148 GLU CA C 55.235 0.062 1 1420 249 148 GLU CB C 32.533 0.041 1 1421 249 148 GLU CG C 36.270 0.034 1 1422 249 148 GLU N N 123.223 0.029 1 1423 250 149 SER H H 8.945 0.002 1 1424 250 149 SER HA H 5.253 0.006 1 1425 250 149 SER HB2 H 3.642 0.007 2 1426 250 149 SER HB3 H 3.642 0.007 2 1427 250 149 SER CA C 57.531 0.035 1 1428 250 149 SER CB C 65.342 0.020 1 1429 250 149 SER N N 121.990 0.014 1 1430 251 150 ASP H H 8.975 0.001 1 1431 251 150 ASP HA H 4.773 0.005 1 1432 251 150 ASP HB2 H 3.419 0.004 2 1433 251 150 ASP HB3 H 2.624 0.004 2 1434 251 150 ASP CA C 52.631 0.080 1 1435 251 150 ASP CB C 41.912 0.057 1 1436 251 150 ASP N N 124.066 0.016 1 1437 252 151 SER HA H 4.118 0.004 1 1438 252 151 SER HB2 H 3.692 0.011 2 1439 252 151 SER HB3 H 3.618 0.003 2 1440 252 151 SER CA C 60.960 0.048 1 1441 252 151 SER CB C 62.693 0.063 1 1442 253 152 TYR H H 8.281 0.003 1 1443 253 152 TYR HA H 4.556 0.009 1 1444 253 152 TYR HB2 H 3.295 0.005 2 1445 253 152 TYR HB3 H 3.014 0.005 2 1446 253 152 TYR HD1 H 7.161 0.014 3 1447 253 152 TYR HD2 H 7.161 0.014 3 1448 253 152 TYR HE1 H 6.837 0.015 3 1449 253 152 TYR HE2 H 6.837 0.015 3 1450 253 152 TYR CA C 57.708 0.047 1 1451 253 152 TYR CB C 38.150 0.059 1 1452 253 152 TYR CD1 C 132.899 0.040 3 1453 253 152 TYR CE1 C 117.839 0.022 3 1454 253 152 TYR N N 121.856 0.030 1 1455 254 153 GLY H H 8.039 0.003 1 1456 254 153 GLY HA2 H 4.263 0.006 2 1457 254 153 GLY HA3 H 3.670 0.012 2 1458 254 153 GLY CA C 45.300 0.070 1 1459 254 153 GLY N N 109.164 0.016 1 1460 255 154 LEU H H 8.391 0.002 1 1461 255 154 LEU HA H 4.695 0.005 1 1462 255 154 LEU HB2 H 1.936 0.005 2 1463 255 154 LEU HB3 H 1.396 0.006 2 1464 255 154 LEU HD1 H 0.860 0.001 2 1465 255 154 LEU HD2 H 0.782 0.006 2 1466 255 154 LEU HG H 1.542 0.007 1 1467 255 154 LEU CA C 53.874 0.062 1 1468 255 154 LEU CB C 42.577 0.067 1 1469 255 154 LEU CD1 C 24.836 0.041 2 1470 255 154 LEU CD2 C 23.460 0.048 2 1471 255 154 LEU CG C 27.220 0.017 1 1472 255 154 LEU N N 125.722 0.019 1 1473 256 155 THR H H 10.019 0.005 1 1474 256 155 THR HA H 3.928 0.002 1 1475 256 155 THR HB H 4.229 0.006 1 1476 256 155 THR HG2 H 0.991 0.008 1 1477 256 155 THR CA C 65.041 0.047 1 1478 256 155 THR CB C 68.388 0.037 1 1479 256 155 THR CG2 C 22.871 0.160 1 1480 256 155 THR N N 123.279 0.021 1 1481 257 156 LYS H H 9.272 0.003 1 1482 257 156 LYS HA H 4.604 0.005 1 1483 257 156 LYS HB2 H 1.799 0.006 2 1484 257 156 LYS HB3 H 1.799 0.006 2 1485 257 156 LYS HG2 H 1.441 0.008 2 1486 257 156 LYS HG3 H 1.441 0.008 2 1487 257 156 LYS CA C 56.410 0.052 1 1488 257 156 LYS CB C 34.768 0.065 1 1489 257 156 LYS CD C 28.971 0.000 1 1490 257 156 LYS CE C 41.925 0.000 1 1491 257 156 LYS CG C 24.586 0.123 1 1492 257 156 LYS N N 129.005 0.012 1 1493 258 157 VAL H H 7.614 0.006 1 1494 258 157 VAL HA H 4.446 0.001 1 1495 258 157 VAL HB H 1.702 0.005 1 1496 258 157 VAL HG1 H 0.743 0.006 2 1497 258 157 VAL HG2 H 0.340 0.008 2 1498 258 157 VAL CA C 60.687 0.036 1 1499 258 157 VAL CB C 36.121 0.053 1 1500 258 157 VAL CG1 C 21.849 0.034 2 1501 258 157 VAL CG2 C 21.061 0.029 2 1502 258 157 VAL N N 119.874 0.035 1 1503 259 158 ALA H H 9.029 0.002 1 1504 259 158 ALA HA H 5.028 0.006 1 1505 259 158 ALA HB H 1.135 0.006 1 1506 259 158 ALA CA C 49.147 0.044 1 1507 259 158 ALA CB C 22.763 0.081 1 1508 259 158 ALA N N 127.794 0.014 1 1509 260 159 TYR H H 8.913 0.003 1 1510 260 159 TYR HA H 5.278 0.006 1 1511 260 159 TYR HB2 H 2.737 0.007 2 1512 260 159 TYR HB3 H 2.548 0.015 2 1513 260 159 TYR HD1 H 6.667 0.016 3 1514 260 159 TYR HD2 H 6.667 0.016 3 1515 260 159 TYR HE1 H 6.662 0.012 3 1516 260 159 TYR HE2 H 6.662 0.012 3 1517 260 159 TYR CA C 57.475 0.051 1 1518 260 159 TYR CB C 38.672 0.099 1 1519 260 159 TYR CD1 C 131.762 0.046 3 1520 260 159 TYR CE1 C 117.551 0.023 3 1521 260 159 TYR N N 121.775 0.031 1 1522 261 160 VAL H H 9.400 0.002 1 1523 261 160 VAL HA H 4.622 0.006 1 1524 261 160 VAL HB H 1.948 0.003 1 1525 261 160 VAL HG1 H 0.811 0.005 2 1526 261 160 VAL HG2 H 0.550 0.005 2 1527 261 160 VAL CA C 60.550 0.024 1 1528 261 160 VAL CB C 35.320 0.051 1 1529 261 160 VAL CG1 C 22.150 0.115 2 1530 261 160 VAL CG2 C 20.202 0.020 2 1531 261 160 VAL N N 124.840 0.016 1 1532 262 161 LYS H H 9.372 0.003 1 1533 262 161 LYS HA H 4.900 0.004 1 1534 262 161 LYS HB2 H 1.960 0.005 2 1535 262 161 LYS HB3 H 1.668 0.013 2 1536 262 161 LYS CA C 53.536 0.088 1 1537 262 161 LYS CB C 34.998 0.045 1 1538 262 161 LYS N N 133.889 0.016 1 1539 263 162 PRO HA H 4.645 0.004 1 1540 263 162 PRO HB2 H 2.565 0.009 2 1541 263 162 PRO HB3 H 2.451 0.007 2 1542 263 162 PRO HD2 H 4.441 0.009 2 1543 263 162 PRO HD3 H 4.092 0.007 2 1544 263 162 PRO HG2 H 2.425 0.012 2 1545 263 162 PRO HG3 H 1.837 0.011 2 1546 263 162 PRO CA C 62.979 0.024 1 1547 263 162 PRO CB C 31.294 0.034 1 1548 263 162 PRO CD C 51.684 0.017 1 1549 263 162 PRO CG C 27.559 0.025 1 1550 264 163 ALA H H 8.807 0.002 1 1551 264 163 ALA HA H 4.220 0.015 1 1552 264 163 ALA HB H 1.258 0.010 1 1553 264 163 ALA CA C 53.383 0.097 1 1554 264 163 ALA CB C 19.150 0.063 1 1555 264 163 ALA N N 128.083 0.021 1 1556 265 164 ALA H H 8.609 0.003 1 1557 265 164 ALA HA H 4.072 0.002 1 1558 265 164 ALA HB H 1.070 0.006 1 1559 265 164 ALA CA C 51.341 0.126 1 1560 265 164 ALA CB C 20.352 0.069 1 1561 265 164 ALA N N 122.405 0.015 1 1562 266 165 ASP H H 8.044 0.002 1 1563 266 165 ASP HA H 4.654 0.004 1 1564 266 165 ASP HB2 H 3.028 0.003 2 1565 266 165 ASP HB3 H 2.633 0.002 2 1566 266 165 ASP CA C 53.185 0.128 1 1567 266 165 ASP CB C 40.586 0.029 1 1568 266 165 ASP N N 120.375 0.022 1 1569 267 166 LEU H H 8.360 0.002 1 1570 267 166 LEU HA H 4.102 0.005 1 1571 267 166 LEU HB2 H 1.698 0.005 2 1572 267 166 LEU HB3 H 1.587 0.003 2 1573 267 166 LEU HD1 H 0.812 0.004 2 1574 267 166 LEU HD2 H 0.895 0.002 2 1575 267 166 LEU HG H 1.809 0.007 1 1576 267 166 LEU CA C 55.715 0.056 1 1577 267 166 LEU CB C 40.992 0.022 1 1578 267 166 LEU CD1 C 25.649 0.072 2 1579 267 166 LEU CD2 C 23.656 0.061 2 1580 267 166 LEU CG C 27.004 0.051 1 1581 267 166 LEU N N 125.291 0.016 1 1582 268 167 THR H H 8.515 0.004 1 1583 268 167 THR HA H 4.286 0.006 1 1584 268 167 THR HB H 4.394 0.006 1 1585 268 167 THR HG2 H 1.279 0.010 1 1586 268 167 THR CA C 63.548 0.028 1 1587 268 167 THR CB C 69.456 0.050 1 1588 268 167 THR CG2 C 21.646 0.011 1 1589 268 167 THR N N 113.047 0.027 1 1590 269 168 ASP H H 7.509 0.002 1 1591 269 168 ASP HA H 4.826 0.008 1 1592 269 168 ASP HB2 H 2.684 0.003 2 1593 269 168 ASP HB3 H 2.350 0.003 2 1594 269 168 ASP CA C 53.177 0.065 1 1595 269 168 ASP CB C 41.226 0.053 1 1596 269 168 ASP N N 124.959 0.020 1 1597 270 169 LEU H H 7.573 0.003 1 1598 270 169 LEU HA H 4.582 0.007 1 1599 270 169 LEU HB2 H 1.491 0.013 2 1600 270 169 LEU HB3 H 0.999 0.012 2 1601 270 169 LEU HD2 H 0.814 0.000 2 1602 270 169 LEU HG H 1.421 0.001 1 1603 270 169 LEU CA C 53.499 0.049 1 1604 270 169 LEU CB C 44.670 0.040 1 1605 270 169 LEU CD1 C 27.309 0.000 2 1606 270 169 LEU CD2 C 24.498 0.002 2 1607 270 169 LEU CG C 26.264 0.010 1 1608 270 169 LEU N N 122.654 0.013 1 1609 271 170 ASN H H 9.192 0.005 1 1610 271 170 ASN HA H 4.832 0.006 1 1611 271 170 ASN HB2 H 2.794 0.003 2 1612 271 170 ASN HB3 H 2.794 0.003 2 1613 271 170 ASN HD21 H 7.479 0.000 2 1614 271 170 ASN HD22 H 6.797 0.000 2 1615 271 170 ASN CA C 55.124 0.065 1 1616 271 170 ASN CB C 39.998 0.035 1 1617 271 170 ASN N N 122.316 0.031 1 1618 271 170 ASN ND2 N 115.084 0.001 1 1619 272 171 ASN H H 8.705 0.005 1 1620 272 171 ASN HA H 5.353 0.004 1 1621 272 171 ASN HB2 H 2.885 0.009 2 1622 272 171 ASN HB3 H 2.757 0.004 2 1623 272 171 ASN HD21 H 7.498 0.000 2 1624 272 171 ASN HD22 H 6.815 0.000 2 1625 272 171 ASN CA C 53.439 0.078 1 1626 272 171 ASN CB C 39.298 0.044 1 1627 272 171 ASN N N 121.758 0.038 1 1628 272 171 ASN ND2 N 114.483 0.000 1 1629 273 172 VAL H H 8.906 0.002 1 1630 273 172 VAL HA H 4.904 0.006 1 1631 273 172 VAL HB H 2.218 0.007 1 1632 273 172 VAL HG1 H 0.550 0.011 2 1633 273 172 VAL HG2 H 0.465 0.006 2 1634 273 172 VAL CA C 58.342 0.035 1 1635 273 172 VAL CB C 35.046 0.046 1 1636 273 172 VAL CG1 C 21.641 0.061 2 1637 273 172 VAL CG2 C 19.104 0.030 2 1638 273 172 VAL N N 116.114 0.022 1 1639 274 173 ILE H H 8.715 0.004 1 1640 274 173 ILE HA H 4.651 0.001 1 1641 274 173 ILE HB H 1.827 0.005 1 1642 274 173 ILE HD1 H 0.746 0.014 1 1643 274 173 ILE HG12 H 1.204 0.006 2 1644 274 173 ILE HG13 H 0.860 0.000 2 1645 274 173 ILE HG2 H 0.662 0.016 1 1646 274 173 ILE CA C 60.170 0.039 1 1647 274 173 ILE CB C 39.582 0.040 1 1648 274 173 ILE CD1 C 13.203 0.060 1 1649 274 173 ILE CG1 C 27.348 0.080 1 1650 274 173 ILE CG2 C 18.203 0.017 1 1651 274 173 ILE N N 121.660 0.035 1 1652 275 174 VAL H H 9.352 0.003 1 1653 275 174 VAL HA H 4.473 0.006 1 1654 275 174 VAL HB H 2.120 0.008 1 1655 275 174 VAL HG1 H 0.913 0.009 2 1656 275 174 VAL HG2 H 0.703 0.021 2 1657 275 174 VAL CA C 61.681 0.042 1 1658 275 174 VAL CB C 31.892 0.059 1 1659 275 174 VAL CG1 C 23.096 0.123 2 1660 275 174 VAL CG2 C 21.079 0.094 2 1661 275 174 VAL N N 128.681 0.024 1 1662 276 175 VAL H H 8.917 0.002 1 1663 276 175 VAL HA H 3.864 0.006 1 1664 276 175 VAL HB H 2.022 0.005 1 1665 276 175 VAL HG1 H 0.654 0.009 2 1666 276 175 VAL HG2 H 0.582 0.004 2 1667 276 175 VAL CA C 62.609 0.025 1 1668 276 175 VAL CB C 31.381 0.079 1 1669 276 175 VAL CG1 C 21.185 0.061 2 1670 276 175 VAL CG2 C 21.752 0.046 2 1671 276 175 VAL N N 129.179 0.020 1 1672 277 176 ASN H H 8.069 0.002 1 1673 277 176 ASN HA H 4.927 0.010 1 1674 277 176 ASN HB2 H 3.183 0.004 2 1675 277 176 ASN HB3 H 2.579 0.003 2 1676 277 176 ASN HD21 H 7.364 0.000 2 1677 277 176 ASN HD22 H 6.792 0.000 2 1678 277 176 ASN CA C 52.670 0.107 1 1679 277 176 ASN CB C 40.130 0.058 1 1680 277 176 ASN N N 125.958 0.019 1 1681 277 176 ASN ND2 N 112.032 0.004 1 1682 278 177 ARG H H 8.381 0.003 1 1683 278 177 ARG HA H 4.345 0.006 1 1684 278 177 ARG HB2 H 1.822 0.012 2 1685 278 177 ARG HB3 H 1.727 0.011 2 1686 278 177 ARG HD2 H 3.028 0.003 2 1687 278 177 ARG HD3 H 3.028 0.003 2 1688 278 177 ARG HG2 H 1.575 0.005 2 1689 278 177 ARG HG3 H 1.575 0.005 2 1690 278 177 ARG CA C 56.332 0.039 1 1691 278 177 ARG CB C 31.369 0.050 1 1692 278 177 ARG CD C 43.575 0.036 1 1693 278 177 ARG CG C 26.810 0.026 1 1694 278 177 ARG N N 125.462 0.015 1 1695 279 178 ASP H H 7.950 0.002 1 1696 279 178 ASP HA H 4.415 0.003 1 1697 279 178 ASP HB2 H 2.658 0.001 2 1698 279 178 ASP HB3 H 2.532 0.013 2 1699 279 178 ASP CA C 56.030 0.046 1 1700 279 178 ASP CB C 42.576 0.038 1 1701 279 178 ASP N N 127.883 0.012 1 stop_ save_