data_17643 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for full-length YtvA from Bacillus subtilis ; _BMRB_accession_number 17643 _BMRB_flat_file_name bmr17643.str _Entry_type original _Submission_date 2011-05-13 _Accession_date 2011-05-13 _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 Jurk Marcel . . 2 Schmieder Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 281 "13C chemical shifts" 782 "15N chemical shifts" 242 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-07 update BMRB 'update entry citation' 2011-08-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Blue flickers of hope: secondary structure, dynamics, and putative dimerization interface of the blue-light receptor YtvA from Bacillus subtilis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21851109 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jurk Marcel . . 2 Dorn Matthias . . 3 Schmieder Peter . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 50 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8163 _Page_last 8171 _Year 2011 _Details . loop_ _Keyword assignment Photoreceptor relaxation 'solvent accessibility' YtvA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YtvA Dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Monomer 1' $YtvA 'Monomer 2' $YtvA 'Cofactor 1' $FMN 'Cofactor 2' $FMN stop_ _System_molecular_weight 59000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Monomer 1' 1 'Monomer 2' 2 'Cofactor 1' 2 'Cofactor 2' stop_ loop_ _Biological_function 'Blue-light detection' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YtvA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YtvA _Molecular_mass 29500 _Mol_thiol_state 'not reported' loop_ _Biological_function 'Blue-light receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; GASFQSFGIPGQLEVIKKAL DHVRVGVVITDPALEDNPIV YVNQGFVQMTGYETEEILGK NCRFLQGKHTDPAEVDNIRT ALQNKEPVTVQIQNYKKDGT MFWNELNIDPMEIEDKTYFV GIQNDITKQKEYEKLLEDSL TEITALSTPIVPIRNGISAL PLVGNLTEERFNSIVCTLTN ILSTSKDDYLIIDLSGLAQV NEQTADQIFKLSHLLKLTGT ELIITGIKPELAMKMNKLDA NFSSLKTYSNVKDAVKVLPI M ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 SER 4 PHE 5 GLN 6 SER 7 PHE 8 GLY 9 ILE 10 PRO 11 GLY 12 GLN 13 LEU 14 GLU 15 VAL 16 ILE 17 LYS 18 LYS 19 ALA 20 LEU 21 ASP 22 HIS 23 VAL 24 ARG 25 VAL 26 GLY 27 VAL 28 VAL 29 ILE 30 THR 31 ASP 32 PRO 33 ALA 34 LEU 35 GLU 36 ASP 37 ASN 38 PRO 39 ILE 40 VAL 41 TYR 42 VAL 43 ASN 44 GLN 45 GLY 46 PHE 47 VAL 48 GLN 49 MET 50 THR 51 GLY 52 TYR 53 GLU 54 THR 55 GLU 56 GLU 57 ILE 58 LEU 59 GLY 60 LYS 61 ASN 62 CYS 63 ARG 64 PHE 65 LEU 66 GLN 67 GLY 68 LYS 69 HIS 70 THR 71 ASP 72 PRO 73 ALA 74 GLU 75 VAL 76 ASP 77 ASN 78 ILE 79 ARG 80 THR 81 ALA 82 LEU 83 GLN 84 ASN 85 LYS 86 GLU 87 PRO 88 VAL 89 THR 90 VAL 91 GLN 92 ILE 93 GLN 94 ASN 95 TYR 96 LYS 97 LYS 98 ASP 99 GLY 100 THR 101 MET 102 PHE 103 TRP 104 ASN 105 GLU 106 LEU 107 ASN 108 ILE 109 ASP 110 PRO 111 MET 112 GLU 113 ILE 114 GLU 115 ASP 116 LYS 117 THR 118 TYR 119 PHE 120 VAL 121 GLY 122 ILE 123 GLN 124 ASN 125 ASP 126 ILE 127 THR 128 LYS 129 GLN 130 LYS 131 GLU 132 TYR 133 GLU 134 LYS 135 LEU 136 LEU 137 GLU 138 ASP 139 SER 140 LEU 141 THR 142 GLU 143 ILE 144 THR 145 ALA 146 LEU 147 SER 148 THR 149 PRO 150 ILE 151 VAL 152 PRO 153 ILE 154 ARG 155 ASN 156 GLY 157 ILE 158 SER 159 ALA 160 LEU 161 PRO 162 LEU 163 VAL 164 GLY 165 ASN 166 LEU 167 THR 168 GLU 169 GLU 170 ARG 171 PHE 172 ASN 173 SER 174 ILE 175 VAL 176 CYS 177 THR 178 LEU 179 THR 180 ASN 181 ILE 182 LEU 183 SER 184 THR 185 SER 186 LYS 187 ASP 188 ASP 189 TYR 190 LEU 191 ILE 192 ILE 193 ASP 194 LEU 195 SER 196 GLY 197 LEU 198 ALA 199 GLN 200 VAL 201 ASN 202 GLU 203 GLN 204 THR 205 ALA 206 ASP 207 GLN 208 ILE 209 PHE 210 LYS 211 LEU 212 SER 213 HIS 214 LEU 215 LEU 216 LYS 217 LEU 218 THR 219 GLY 220 THR 221 GLU 222 LEU 223 ILE 224 ILE 225 THR 226 GLY 227 ILE 228 LYS 229 PRO 230 GLU 231 LEU 232 ALA 233 MET 234 LYS 235 MET 236 ASN 237 LYS 238 LEU 239 ASP 240 ALA 241 ASN 242 PHE 243 SER 244 SER 245 LEU 246 LYS 247 THR 248 TYR 249 SER 250 ASN 251 VAL 252 LYS 253 ASP 254 ALA 255 VAL 256 LYS 257 VAL 258 LEU 259 PRO 260 ILE 261 MET 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 BAI86545 "hypothetical protein BSNT_09454 [Bacillus subtilis subsp. natto BEST195]" 99.62 261 98.46 98.85 0.00e+00 DBJ BAM54284 "blue light GTP-binding receptor [Synechocystis sp. PCC 6803]" 99.62 261 100.00 100.00 0.00e+00 DBJ BAM59113 "blue light GTP-binding receptor [Bacillus subtilis BEST7003]" 99.62 261 100.00 100.00 0.00e+00 DBJ GAK82103 "blue light GTP-binding receptor [Bacillus subtilis Miyagi-4]" 99.62 261 98.46 98.85 0.00e+00 EMBL CAB15012 "blue light GTP-binding receptor [Bacillus subtilis subsp. subtilis str. 168]" 99.62 261 100.00 100.00 0.00e+00 EMBL CCU59545 "RsbR, positive regulator of sigma-B [Bacillus subtilis E1]" 99.62 261 99.23 99.62 0.00e+00 EMBL CEI58264 "blue-light photoreceptor [Bacillus subtilis]" 99.62 261 100.00 100.00 0.00e+00 EMBL CEJ78686 "blue-light photoreceptor [Bacillus sp.]" 99.62 261 100.00 100.00 0.00e+00 EMBL CJR42913 "Phototropin homolog [Streptococcus pneumoniae]" 99.62 261 98.08 98.46 0.00e+00 GB AAC00382 "putative protein kinase [Bacillus subtilis]" 99.62 261 100.00 100.00 0.00e+00 GB ABN71355 "FMN-based fluorescence protein [synthetic construct]" 52.11 137 99.26 99.26 1.29e-92 GB ACR16779 "FMN-based fluorescent protein CaFbFP [synthetic construct]" 52.11 278 99.26 99.26 1.76e-90 GB ACR43777 "FMN-based fluorescent protein CaFbFP [synthetic construct]" 52.11 137 99.26 99.26 1.29e-92 GB ADJ00051 "Evoglow [Promoter probe vector pEvoGlowRed]" 52.11 143 99.26 99.26 9.23e-93 REF NP_390912 "blue-light photoreceptor [Bacillus subtilis subsp. subtilis str. 168]" 99.62 261 100.00 100.00 0.00e+00 REF WP_003229169 "biphenyl 2,3-dioxygenase [Bacillus subtilis]" 99.62 261 99.23 99.62 0.00e+00 REF WP_004399022 "MULTISPECIES: blue-light photoreceptor [Bacillus]" 99.62 261 100.00 100.00 0.00e+00 REF WP_014477717 "MULTISPECIES: biphenyl 2,3-dioxygenase [Bacillus]" 99.62 261 99.23 99.62 0.00e+00 REF WP_014480616 "hypothetical protein [Bacillus subtilis]" 99.62 261 98.46 98.85 0.00e+00 SP O34627 "RecName: Full=Blue-light photoreceptor; AltName: Full=Photoactive flavo-yellow protein; AltName: Full=Phototropin homolog" 99.62 261 100.00 100.00 0.00e+00 stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type non-polymer _Name_common "FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code . _PDB_code FMN _Molecular_mass 456.344 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 16 11:37:39 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YtvA 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $YtvA 'recombinant technology' . Escherichia coli BL21 'T7 Express Rosetta2' pET30EK/LIC 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 $YtvA 500 uM '[U-13C; U-15N; U-2H]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H20 95 % 'natural abundance' D20 5 % 'natural abundance' FMN 500 uM '[U-75% 13C; U-75% 15N; U-75% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YtvA 500 uM '[U-15N; U-2H]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H20 95 % 'natural abundance' D20 5 % 'natural abundance' FMN 500 uM '[U-75% 15N; U-75% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version 2.1.5 loop_ _Vendor _Address _Electronic_address 'Vranken et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Spectrometer was equipped with a cryo-probehead' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCA(NH)_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA(NH)' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY' '3D HNCACB' '3D HN(CO)CACB' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D HNCA(NH)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Monomer 1' _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 3 3 SER H H 8.432 0.003 1 2 3 3 SER C C 174.718 0.006 1 3 3 3 SER CA C 57.142 0.046 1 4 3 3 SER CB C 64.270 0.006 1 5 3 3 SER N N 115.139 0.053 1 6 4 4 PHE H H 8.770 0.004 1 7 4 4 PHE C C 176.451 0.100 1 8 4 4 PHE CA C 57.501 0.100 1 9 4 4 PHE CB C 39.305 0.069 1 10 4 4 PHE N N 123.963 0.035 1 11 5 5 GLN H H 8.139 0.005 1 12 5 5 GLN C C 176.958 0.100 1 13 5 5 GLN CA C 57.014 0.041 1 14 5 5 GLN CB C 27.930 0.008 1 15 5 5 GLN N N 121.811 0.064 1 16 6 6 SER H H 7.605 0.009 1 17 6 6 SER C C 174.374 0.008 1 18 6 6 SER CA C 58.772 0.011 1 19 6 6 SER CB C 62.863 0.012 1 20 6 6 SER N N 115.002 0.039 1 21 7 7 PHE H H 8.001 0.006 1 22 7 7 PHE C C 176.290 0.100 1 23 7 7 PHE CA C 56.429 0.057 1 24 7 7 PHE CB C 39.073 0.017 1 25 7 7 PHE N N 123.521 0.065 1 26 8 8 GLY H H 8.256 0.002 1 27 8 8 GLY C C 173.913 0.027 1 28 8 8 GLY CA C 44.787 0.052 1 29 8 8 GLY N N 110.658 0.060 1 30 9 9 ILE H H 7.912 0.003 1 31 9 9 ILE N N 120.271 0.055 1 32 10 10 PRO C C 178.651 0.100 1 33 10 10 PRO CA C 64.890 0.100 1 34 10 10 PRO CB C 30.132 0.100 1 35 11 11 GLY H H 8.109 0.009 1 36 11 11 GLY C C 175.247 0.004 1 37 11 11 GLY CA C 45.764 0.014 1 38 11 11 GLY N N 108.357 0.066 1 39 12 12 GLN H H 7.895 0.007 1 40 12 12 GLN C C 177.461 0.007 1 41 12 12 GLN CA C 58.574 0.040 1 42 12 12 GLN CB C 28.429 0.100 1 43 12 12 GLN N N 120.726 0.021 1 44 13 13 LEU H H 8.348 0.006 1 45 13 13 LEU C C 177.641 0.001 1 46 13 13 LEU CA C 58.279 0.100 1 47 13 13 LEU CB C 40.601 0.006 1 48 13 13 LEU N N 119.082 0.014 1 49 14 14 GLU H H 7.960 0.005 1 50 14 14 GLU C C 179.095 0.007 1 51 14 14 GLU CA C 58.937 0.096 1 52 14 14 GLU CB C 28.503 0.100 1 53 14 14 GLU N N 117.153 0.045 1 54 15 15 VAL H H 7.558 0.012 1 55 15 15 VAL C C 177.341 0.013 1 56 15 15 VAL CA C 65.707 0.190 1 57 15 15 VAL CB C 30.833 0.100 1 58 15 15 VAL N N 118.699 0.059 1 59 16 16 ILE H H 7.964 0.008 1 60 16 16 ILE C C 178.089 0.024 1 61 16 16 ILE CA C 63.334 0.101 1 62 16 16 ILE CB C 35.522 0.100 1 63 16 16 ILE N N 118.512 0.065 1 64 17 17 LYS H H 8.473 0.006 1 65 17 17 LYS C C 180.006 0.015 1 66 17 17 LYS CA C 60.524 0.052 1 67 17 17 LYS CB C 31.619 0.022 1 68 17 17 LYS N N 120.042 0.045 1 69 18 18 LYS H H 7.903 0.006 1 70 18 18 LYS C C 180.302 0.003 1 71 18 18 LYS CA C 59.280 0.100 1 72 18 18 LYS CB C 30.965 0.100 1 73 18 18 LYS N N 120.140 0.066 1 74 19 19 ALA H H 8.493 0.017 1 75 19 19 ALA C C 180.403 0.027 1 76 19 19 ALA CA C 56.095 0.016 1 77 19 19 ALA CB C 16.929 0.013 1 78 19 19 ALA N N 124.771 0.067 1 79 20 20 LEU H H 8.175 0.015 1 80 20 20 LEU C C 178.931 0.100 1 81 20 20 LEU CA C 57.333 0.100 1 82 20 20 LEU CB C 41.256 0.122 1 83 20 20 LEU N N 117.920 0.052 1 84 21 21 ASP H H 7.909 0.004 1 85 21 21 ASP C C 177.095 0.100 1 86 21 21 ASP CA C 56.163 0.100 1 87 21 21 ASP CB C 40.018 0.100 1 88 21 21 ASP N N 119.320 0.070 1 89 25 25 VAL H H 7.921 0.009 1 90 25 25 VAL C C 176.075 0.037 1 91 25 25 VAL CA C 60.328 0.011 1 92 25 25 VAL CB C 32.160 0.150 1 93 25 25 VAL N N 120.225 0.099 1 94 26 26 GLY H H 9.489 0.009 1 95 26 26 GLY C C 172.922 0.015 1 96 26 26 GLY CA C 45.189 0.044 1 97 26 26 GLY N N 112.241 0.079 1 98 27 27 VAL H H 8.148 0.010 1 99 27 27 VAL C C 175.091 0.003 1 100 27 27 VAL CA C 61.287 0.100 1 101 27 27 VAL CB C 35.310 0.100 1 102 27 27 VAL N N 122.422 0.066 1 103 28 28 VAL H H 9.188 0.006 1 104 28 28 VAL HG2 H 0.612 0.003 1 105 28 28 VAL C C 175.045 0.100 1 106 28 28 VAL CA C 57.450 0.102 1 107 28 28 VAL CB C 35.188 0.068 1 108 28 28 VAL CG2 C 22.072 0.072 1 109 28 28 VAL N N 118.136 0.063 1 110 29 29 ILE H H 8.489 0.006 1 111 29 29 ILE HD1 H 0.462 0.004 1 112 29 29 ILE C C 176.310 0.001 1 113 29 29 ILE CA C 58.799 0.007 1 114 29 29 ILE CB C 39.918 0.242 1 115 29 29 ILE CD1 C 13.235 0.054 1 116 29 29 ILE N N 122.259 0.052 1 117 30 30 THR H H 9.675 0.006 1 118 30 30 THR HG2 H 4.885 0.005 1 119 30 30 THR C C 173.441 0.001 1 120 30 30 THR CA C 59.759 0.091 1 121 30 30 THR CB C 69.876 0.006 1 122 30 30 THR N N 119.997 0.040 1 123 31 31 ASP H H 7.391 0.006 1 124 31 31 ASP C C 175.220 0.100 1 125 31 31 ASP CA C 48.862 0.100 1 126 31 31 ASP CB C 43.297 0.100 1 127 31 31 ASP N N 118.018 0.026 1 128 32 32 PRO C C 177.459 0.100 1 129 32 32 PRO CA C 63.324 0.100 1 130 32 32 PRO CB C 31.034 0.100 1 131 33 33 ALA H H 8.603 0.004 1 132 33 33 ALA C C 178.670 0.100 1 133 33 33 ALA CA C 52.666 0.067 1 134 33 33 ALA CB C 17.999 0.020 1 135 33 33 ALA N N 123.650 0.033 1 136 34 34 LEU H H 7.591 0.004 1 137 34 34 LEU C C 176.861 0.006 1 138 34 34 LEU CA C 52.804 0.047 1 139 34 34 LEU CB C 41.976 0.017 1 140 34 34 LEU N N 120.596 0.030 1 141 35 35 GLU H H 8.274 0.002 1 142 35 35 GLU C C 177.365 0.002 1 143 35 35 GLU CA C 57.689 0.028 1 144 35 35 GLU CB C 28.656 0.020 1 145 35 35 GLU N N 121.850 0.029 1 146 36 36 ASP H H 9.035 0.002 1 147 36 36 ASP C C 175.455 0.002 1 148 36 36 ASP CA C 54.522 0.090 1 149 36 36 ASP CB C 41.438 0.012 1 150 36 36 ASP N N 123.537 0.033 1 151 37 37 ASN H H 8.107 0.005 1 152 37 37 ASN C C 170.559 0.100 1 153 37 37 ASN CA C 52.209 0.100 1 154 37 37 ASN CB C 36.825 0.100 1 155 37 37 ASN N N 115.733 0.067 1 156 38 38 PRO C C 176.629 0.100 1 157 38 38 PRO CA C 61.776 0.100 1 158 38 38 PRO CB C 32.664 0.100 1 159 39 39 ILE H H 7.727 0.007 1 160 39 39 ILE C C 177.613 0.006 1 161 39 39 ILE CA C 62.680 0.074 1 162 39 39 ILE CB C 38.559 0.036 1 163 39 39 ILE N N 116.862 0.075 1 164 40 40 VAL H H 9.421 0.011 1 165 40 40 VAL HG2 H 0.633 0.004 1 166 40 40 VAL C C 174.800 0.018 1 167 40 40 VAL CA C 60.017 0.134 1 168 40 40 VAL CB C 32.694 0.128 1 169 40 40 VAL CG2 C 17.907 0.042 1 170 40 40 VAL N N 120.602 0.036 1 171 41 41 TYR H H 7.609 0.004 1 172 41 41 TYR C C 172.293 0.010 1 173 41 41 TYR CA C 58.625 0.043 1 174 41 41 TYR CB C 41.452 0.007 1 175 41 41 TYR N N 123.130 0.037 1 176 42 42 VAL H H 7.085 0.010 1 177 42 42 VAL HG2 H 0.805 0.005 1 178 42 42 VAL C C 172.177 0.036 1 179 42 42 VAL CA C 58.323 0.248 1 180 42 42 VAL CB C 33.859 0.129 1 181 42 42 VAL CG2 C 19.607 0.060 1 182 42 42 VAL N N 124.193 0.115 1 183 43 43 ASN H H 8.329 0.010 1 184 43 43 ASN C C 175.573 0.100 1 185 43 43 ASN CA C 51.039 0.022 1 186 43 43 ASN CB C 41.246 0.015 1 187 43 43 ASN N N 123.804 0.078 1 188 44 44 GLN H H 8.852 0.012 1 189 44 44 GLN C C 178.575 0.100 1 190 44 44 GLN CA C 57.368 0.100 1 191 44 44 GLN CB C 27.162 0.100 1 192 44 44 GLN N N 118.343 0.054 1 193 45 45 GLY C C 176.192 0.100 1 194 45 45 GLY CA C 46.636 0.100 1 195 46 46 PHE H H 7.965 0.013 1 196 46 46 PHE C C 178.365 0.006 1 197 46 46 PHE CA C 61.867 0.046 1 198 46 46 PHE CB C 39.893 0.100 1 199 46 46 PHE N N 122.898 0.038 1 200 47 47 VAL H H 7.245 0.009 1 201 47 47 VAL C C 179.467 0.023 1 202 47 47 VAL CA C 65.205 0.083 1 203 47 47 VAL CB C 31.978 0.051 1 204 47 47 VAL N N 124.378 0.059 1 205 48 48 GLN H H 8.371 0.011 1 206 48 48 GLN C C 178.093 0.015 1 207 48 48 GLN CA C 57.894 0.100 1 208 48 48 GLN CB C 27.667 0.100 1 209 48 48 GLN N N 119.075 0.017 1 210 49 49 MET H H 7.896 0.007 1 211 49 49 MET C C 176.682 0.010 1 212 49 49 MET CA C 57.864 0.100 1 213 49 49 MET CB C 33.662 0.005 1 214 49 49 MET N N 117.967 0.037 1 215 50 50 THR H H 7.646 0.007 1 216 50 50 THR C C 175.133 0.009 1 217 50 50 THR CA C 62.751 0.022 1 218 50 50 THR CB C 70.393 0.013 1 219 50 50 THR N N 103.280 0.044 1 220 51 51 GLY H H 8.096 0.009 1 221 51 51 GLY C C 173.781 0.010 1 222 51 51 GLY CA C 45.165 0.033 1 223 51 51 GLY N N 110.833 0.050 1 224 52 52 TYR H H 7.433 0.004 1 225 52 52 TYR C C 174.170 0.002 1 226 52 52 TYR CA C 58.348 0.094 1 227 52 52 TYR CB C 39.277 0.033 1 228 52 52 TYR N N 119.857 0.057 1 229 53 53 GLU H H 8.781 0.004 1 230 53 53 GLU C C 179.458 0.004 1 231 53 53 GLU CA C 54.792 0.042 1 232 53 53 GLU CB C 29.756 0.026 1 233 53 53 GLU N N 118.069 0.023 1 234 54 54 THR H H 8.733 0.009 1 235 54 54 THR C C 177.086 0.100 1 236 54 54 THR CA C 66.993 0.100 1 237 54 54 THR CB C 67.878 0.009 1 238 54 54 THR N N 115.949 0.072 1 239 55 55 GLU H H 8.879 0.006 1 240 55 55 GLU C C 178.034 0.009 1 241 55 55 GLU CA C 58.755 0.007 1 242 55 55 GLU CB C 28.124 0.022 1 243 55 55 GLU N N 118.260 0.030 1 244 56 56 GLU H H 7.632 0.004 1 245 56 56 GLU C C 176.098 0.009 1 246 56 56 GLU CA C 56.452 0.096 1 247 56 56 GLU CB C 30.048 0.022 1 248 56 56 GLU N N 116.711 0.037 1 249 57 57 ILE H H 7.124 0.007 1 250 57 57 ILE HD1 H 0.758 0.004 1 251 57 57 ILE C C 175.086 0.004 1 252 57 57 ILE CA C 61.123 0.216 1 253 57 57 ILE CB C 39.211 0.174 1 254 57 57 ILE CD1 C 15.665 0.053 1 255 57 57 ILE N N 114.155 0.033 1 256 58 58 LEU H H 7.265 0.008 1 257 58 58 LEU HD2 H 0.600 0.002 1 258 58 58 LEU C C 178.611 0.003 1 259 58 58 LEU CA C 56.136 0.035 1 260 58 58 LEU CB C 41.005 0.146 1 261 58 58 LEU CD2 C 22.833 0.059 1 262 58 58 LEU N N 118.673 0.064 1 263 59 59 GLY H H 9.117 0.007 1 264 59 59 GLY C C 173.677 0.009 1 265 59 59 GLY CA C 44.822 0.031 1 266 59 59 GLY N N 109.769 0.062 1 267 60 60 LYS H H 7.767 0.006 1 268 60 60 LYS C C 175.980 0.010 1 269 60 60 LYS CA C 54.104 0.034 1 270 60 60 LYS CB C 33.642 0.006 1 271 60 60 LYS N N 119.781 0.033 1 272 61 61 ASN H H 8.645 0.007 1 273 61 61 ASN C C 176.390 0.009 1 274 61 61 ASN CA C 53.758 0.088 1 275 61 61 ASN CB C 40.271 0.035 1 276 61 61 ASN N N 120.996 0.049 1 277 62 62 CYS H H 8.039 0.007 1 278 62 62 CYS C C 174.052 0.004 1 279 62 62 CYS CA C 60.762 0.004 1 280 62 62 CYS CB C 25.442 0.041 1 281 62 62 CYS N N 122.715 0.047 1 282 63 63 ARG H H 8.704 0.008 1 283 63 63 ARG C C 177.045 0.014 1 284 63 63 ARG CA C 58.068 0.054 1 285 63 63 ARG CB C 28.912 0.057 1 286 63 63 ARG N N 118.595 0.046 1 287 64 64 PHE H H 6.890 0.006 1 288 64 64 PHE C C 175.831 0.006 1 289 64 64 PHE CA C 58.452 0.095 1 290 64 64 PHE CB C 36.653 0.004 1 291 64 64 PHE N N 119.344 0.041 1 292 65 65 LEU H H 6.667 0.004 1 293 65 65 LEU C C 176.851 0.006 1 294 65 65 LEU CA C 55.470 0.085 1 295 65 65 LEU CB C 42.462 0.001 1 296 65 65 LEU N N 120.994 0.042 1 297 66 66 GLN H H 7.737 0.006 1 298 66 66 GLN C C 175.770 0.004 1 299 66 66 GLN CA C 55.458 0.033 1 300 66 66 GLN CB C 27.187 0.038 1 301 66 66 GLN N N 118.242 0.035 1 302 67 67 GLY H H 8.592 0.008 1 303 67 67 GLY C C 175.778 0.100 1 304 67 67 GLY CA C 45.795 0.006 1 305 67 67 GLY N N 107.109 0.042 1 306 68 68 LYS H H 8.165 0.005 1 307 68 68 LYS C C 177.855 0.010 1 308 68 68 LYS CA C 59.318 0.011 1 309 68 68 LYS CB C 31.752 0.040 1 310 68 68 LYS N N 122.860 0.074 1 311 69 69 HIS H H 8.204 0.005 1 312 69 69 HIS C C 174.927 0.008 1 313 69 69 HIS CA C 55.030 0.160 1 314 69 69 HIS CB C 28.448 0.059 1 315 69 69 HIS N N 113.529 0.078 1 316 70 70 THR H H 7.751 0.005 1 317 70 70 THR HG2 H 4.932 0.007 1 318 70 70 THR C C 174.825 0.023 1 319 70 70 THR CA C 64.383 0.001 1 320 70 70 THR CB C 68.598 0.030 1 321 70 70 THR N N 118.366 0.072 1 322 71 71 ASP H H 8.862 0.005 1 323 71 71 ASP C C 175.313 0.100 1 324 71 71 ASP CA C 52.196 0.100 1 325 71 71 ASP CB C 41.596 0.100 1 326 71 71 ASP N N 133.436 0.051 1 327 72 72 PRO C C 178.988 0.100 1 328 72 72 PRO CA C 64.262 0.100 1 329 72 72 PRO CB C 31.356 0.100 1 330 73 73 ALA H H 8.455 0.008 1 331 73 73 ALA C C 181.492 0.008 1 332 73 73 ALA CA C 54.468 0.057 1 333 73 73 ALA CB C 17.522 0.012 1 334 73 73 ALA N N 121.653 0.028 1 335 74 74 GLU H H 7.418 0.010 1 336 74 74 GLU C C 179.621 0.005 1 337 74 74 GLU CA C 57.020 0.022 1 338 74 74 GLU CB C 28.411 0.100 1 339 74 74 GLU N N 116.928 0.043 1 340 75 75 VAL H H 7.317 0.005 1 341 75 75 VAL C C 178.662 0.006 1 342 75 75 VAL CA C 67.021 0.089 1 343 75 75 VAL CB C 30.768 0.100 1 344 75 75 VAL N N 120.575 0.040 1 345 76 76 ASP H H 8.225 0.004 1 346 76 76 ASP C C 178.600 0.100 1 347 76 76 ASP CA C 57.232 0.030 1 348 76 76 ASP CB C 39.633 0.016 1 349 76 76 ASP N N 120.810 0.038 1 350 77 77 ASN H H 7.608 0.005 1 351 77 77 ASN C C 178.835 0.003 1 352 77 77 ASN CA C 55.558 0.001 1 353 77 77 ASN CB C 36.839 0.027 1 354 77 77 ASN N N 118.947 0.040 1 355 78 78 ILE H H 7.851 0.003 1 356 78 78 ILE HD1 H 0.503 0.002 1 357 78 78 ILE C C 176.498 0.001 1 358 78 78 ILE CA C 65.566 0.120 1 359 78 78 ILE CB C 37.128 0.117 1 360 78 78 ILE CD1 C 14.200 0.042 1 361 78 78 ILE N N 121.333 0.040 1 362 79 79 ARG H H 8.428 0.005 1 363 79 79 ARG C C 179.886 0.039 1 364 79 79 ARG CA C 60.160 0.085 1 365 79 79 ARG CB C 29.600 0.077 1 366 79 79 ARG N N 119.881 0.040 1 367 80 80 THR H H 8.402 0.003 1 368 80 80 THR C C 175.745 0.001 1 369 80 80 THR CA C 65.743 0.133 1 370 80 80 THR CB C 68.579 0.032 1 371 80 80 THR N N 115.739 0.079 1 372 81 81 ALA H H 7.495 0.012 1 373 81 81 ALA C C 180.871 0.012 1 374 81 81 ALA CA C 55.333 0.038 1 375 81 81 ALA CB C 17.243 0.009 1 376 81 81 ALA N N 125.743 0.048 1 377 82 82 LEU H H 8.350 0.003 1 378 82 82 LEU HD2 H -0.130 0.003 1 379 82 82 LEU C C 181.289 0.009 1 380 82 82 LEU CA C 57.296 0.156 1 381 82 82 LEU CB C 39.556 0.131 1 382 82 82 LEU CD2 C 21.817 0.070 1 383 82 82 LEU N N 116.786 0.039 1 384 83 83 GLN H H 7.836 0.007 1 385 83 83 GLN C C 177.715 0.003 1 386 83 83 GLN CA C 58.005 0.100 1 387 83 83 GLN CB C 27.702 0.026 1 388 83 83 GLN N N 119.564 0.049 1 389 84 84 ASN H H 7.759 0.005 1 390 84 84 ASN C C 173.947 0.003 1 391 84 84 ASN CA C 52.772 0.035 1 392 84 84 ASN CB C 38.416 0.009 1 393 84 84 ASN N N 116.170 0.060 1 394 85 85 LYS H H 8.178 0.004 1 395 85 85 LYS C C 173.816 0.013 1 396 85 85 LYS CA C 57.779 0.083 1 397 85 85 LYS CB C 29.048 0.033 1 398 85 85 LYS N N 120.294 0.031 1 399 86 86 GLU H H 8.400 0.004 1 400 86 86 GLU C C 173.168 0.100 1 401 86 86 GLU CA C 52.470 0.100 1 402 86 86 GLU CB C 30.989 0.100 1 403 86 86 GLU N N 120.170 0.036 1 404 87 87 PRO C C 176.775 0.100 1 405 87 87 PRO CA C 62.275 0.100 1 406 87 87 PRO CB C 31.860 0.100 1 407 88 88 VAL H H 8.615 0.005 1 408 88 88 VAL HG2 H 0.670 0.003 1 409 88 88 VAL C C 172.583 0.005 1 410 88 88 VAL CA C 59.922 0.053 1 411 88 88 VAL CB C 34.362 0.096 1 412 88 88 VAL CG2 C 19.502 0.081 1 413 88 88 VAL N N 120.219 0.029 1 414 89 89 THR H H 8.202 0.005 1 415 89 89 THR C C 174.261 0.001 1 416 89 89 THR CA C 60.721 0.009 1 417 89 89 THR CB C 70.800 0.030 1 418 89 89 THR N N 124.991 0.033 1 419 90 90 VAL H H 8.851 0.004 1 420 90 90 VAL HG2 H 0.668 0.001 1 421 90 90 VAL C C 173.807 0.008 1 422 90 90 VAL CA C 58.593 0.028 1 423 90 90 VAL CB C 35.425 0.085 1 424 90 90 VAL CG2 C 19.927 0.063 1 425 90 90 VAL N N 119.745 0.035 1 426 91 91 GLN H H 8.408 0.014 1 427 91 91 GLN C C 175.506 0.005 1 428 91 91 GLN CA C 54.496 0.077 1 429 91 91 GLN CB C 28.165 0.008 1 430 91 91 GLN N N 120.441 0.061 1 431 92 92 ILE H H 9.462 0.008 1 432 92 92 ILE HD1 H 0.659 0.004 1 433 92 92 ILE C C 172.796 0.006 1 434 92 92 ILE CA C 59.068 0.083 1 435 92 92 ILE CB C 43.320 0.006 1 436 92 92 ILE CD1 C 13.816 0.052 1 437 92 92 ILE N N 121.939 0.113 1 438 93 93 GLN H H 8.738 0.009 1 439 93 93 GLN C C 175.383 0.005 1 440 93 93 GLN CA C 56.306 0.074 1 441 93 93 GLN CB C 26.308 0.007 1 442 93 93 GLN N N 125.435 0.038 1 443 94 94 ASN H H 8.721 0.006 1 444 94 94 ASN C C 170.849 0.018 1 445 94 94 ASN CA C 49.996 0.012 1 446 94 94 ASN CB C 45.705 0.017 1 447 94 94 ASN N N 131.279 0.035 1 448 95 95 TYR H H 9.050 0.004 1 449 95 95 TYR C C 177.024 0.003 1 450 95 95 TYR CA C 57.636 0.016 1 451 95 95 TYR CB C 40.832 0.004 1 452 95 95 TYR N N 116.872 0.041 1 453 96 96 LYS H H 9.163 0.003 1 454 96 96 LYS C C 177.806 0.011 1 455 96 96 LYS CA C 55.907 0.036 1 456 96 96 LYS CB C 32.696 0.029 1 457 96 96 LYS N N 122.810 0.031 1 458 97 97 LYS H H 8.491 0.009 1 459 97 97 LYS C C 177.618 0.100 1 460 97 97 LYS CA C 59.264 0.035 1 461 97 97 LYS CB C 30.454 0.035 1 462 97 97 LYS N N 124.859 0.069 1 463 98 98 ASP H H 7.948 0.004 1 464 98 98 ASP C C 177.338 0.001 1 465 98 98 ASP CA C 53.224 0.045 1 466 98 98 ASP CB C 39.174 0.019 1 467 98 98 ASP N N 114.856 0.044 1 468 99 99 GLY H H 8.302 0.005 1 469 99 99 GLY C C 175.178 0.002 1 470 99 99 GLY CA C 44.611 0.003 1 471 99 99 GLY N N 109.403 0.059 1 472 100 100 THR H H 8.281 0.004 1 473 100 100 THR C C 173.647 0.100 1 474 100 100 THR CA C 63.757 0.100 1 475 100 100 THR CB C 68.985 0.059 1 476 100 100 THR N N 118.596 0.046 1 477 101 101 MET H H 8.616 0.010 1 478 101 101 MET C C 175.959 0.001 1 479 101 101 MET CA C 55.033 0.032 1 480 101 101 MET CB C 31.975 0.011 1 481 101 101 MET N N 128.544 0.038 1 482 102 102 PHE H H 9.126 0.007 1 483 102 102 PHE C C 173.236 0.015 1 484 102 102 PHE CA C 55.470 0.023 1 485 102 102 PHE CB C 41.355 0.001 1 486 102 102 PHE N N 125.958 0.031 1 487 103 103 TRP H H 8.676 0.004 1 488 103 103 TRP HE1 H 10.293 0.007 1 489 103 103 TRP C C 173.584 0.010 1 490 103 103 TRP CA C 57.144 0.037 1 491 103 103 TRP CB C 30.123 0.001 1 492 103 103 TRP N N 123.842 0.058 1 493 103 103 TRP NE1 N 129.626 0.043 1 494 104 104 ASN H H 8.843 0.004 1 495 104 104 ASN C C 176.418 0.011 1 496 104 104 ASN CA C 50.098 0.014 1 497 104 104 ASN CB C 39.882 0.012 1 498 104 104 ASN N N 125.147 0.028 1 499 105 105 GLU H H 9.615 0.007 1 500 105 105 GLU C C 172.368 0.002 1 501 105 105 GLU CA C 56.354 0.094 1 502 105 105 GLU CB C 29.832 0.014 1 503 105 105 GLU N N 128.696 0.036 1 504 106 106 LEU H H 8.885 0.005 1 505 106 106 LEU HD2 H -0.098 0.006 1 506 106 106 LEU C C 174.842 0.013 1 507 106 106 LEU CA C 52.727 0.324 1 508 106 106 LEU CB C 43.409 0.040 1 509 106 106 LEU CD2 C 25.907 0.053 1 510 106 106 LEU N N 134.275 0.082 1 511 107 107 ASN H H 8.945 0.006 1 512 107 107 ASN C C 174.527 0.001 1 513 107 107 ASN CA C 51.604 0.061 1 514 107 107 ASN CB C 42.164 0.048 1 515 107 107 ASN N N 124.927 0.034 1 516 108 108 ILE H H 8.846 0.004 1 517 108 108 ILE HD1 H -0.565 0.004 1 518 108 108 ILE C C 174.642 0.100 1 519 108 108 ILE CA C 59.384 0.032 1 520 108 108 ILE CB C 39.503 0.258 1 521 108 108 ILE CD1 C 13.950 0.060 1 522 108 108 ILE N N 122.518 0.046 1 523 109 109 ASP H H 9.042 0.006 1 524 109 109 ASP C C 173.688 0.100 1 525 109 109 ASP CA C 50.517 0.100 1 526 109 109 ASP CB C 43.011 0.100 1 527 109 109 ASP N N 125.899 0.045 1 528 110 110 PRO C C 175.950 0.100 1 529 110 110 PRO CA C 61.678 0.100 1 530 110 110 PRO CB C 30.812 0.100 1 531 111 111 MET H H 8.823 0.005 1 532 111 111 MET C C 173.648 0.007 1 533 111 111 MET CA C 54.567 0.045 1 534 111 111 MET CB C 35.751 0.005 1 535 111 111 MET N N 120.196 0.062 1 536 112 112 GLU H H 8.615 0.003 1 537 112 112 GLU C C 176.001 0.003 1 538 112 112 GLU CA C 54.645 0.100 1 539 112 112 GLU CB C 30.249 0.016 1 540 112 112 GLU N N 124.531 0.043 1 541 113 113 ILE H H 8.972 0.006 1 542 113 113 ILE C C 175.703 0.015 1 543 113 113 ILE CA C 59.556 0.057 1 544 113 113 ILE CB C 38.513 0.017 1 545 113 113 ILE N N 126.816 0.052 1 546 114 114 GLU H H 9.346 0.005 1 547 114 114 GLU C C 175.391 0.003 1 548 114 114 GLU CA C 57.752 0.010 1 549 114 114 GLU CB C 26.508 0.024 1 550 114 114 GLU N N 127.351 0.033 1 551 115 115 ASP H H 8.692 0.003 1 552 115 115 ASP C C 174.936 0.008 1 553 115 115 ASP CA C 54.730 0.060 1 554 115 115 ASP CB C 39.349 0.034 1 555 115 115 ASP N N 116.805 0.029 1 556 116 116 LYS H H 8.101 0.005 1 557 116 116 LYS C C 174.886 0.002 1 558 116 116 LYS CA C 54.980 0.016 1 559 116 116 LYS CB C 34.037 0.003 1 560 116 116 LYS N N 122.571 0.046 1 561 117 117 THR H H 7.822 0.006 1 562 117 117 THR C C 173.139 0.002 1 563 117 117 THR CA C 62.083 0.105 1 564 117 117 THR CB C 69.491 0.023 1 565 117 117 THR N N 120.029 0.032 1 566 118 118 TYR H H 8.778 0.005 1 567 118 118 TYR C C 174.740 0.002 1 568 118 118 TYR CA C 56.498 0.029 1 569 118 118 TYR CB C 42.047 0.007 1 570 118 118 TYR N N 123.192 0.044 1 571 119 119 PHE H H 8.227 0.006 1 572 119 119 PHE C C 174.464 0.006 1 573 119 119 PHE CA C 57.706 0.015 1 574 119 119 PHE CB C 41.618 0.048 1 575 119 119 PHE N N 115.524 0.033 1 576 120 120 VAL H H 9.070 0.006 1 577 120 120 VAL C C 173.318 0.025 1 578 120 120 VAL CA C 57.924 0.100 1 579 120 120 VAL CB C 33.859 0.007 1 580 120 120 VAL N N 121.516 0.031 1 581 121 121 GLY H H 9.720 0.006 1 582 121 121 GLY C C 170.126 0.011 1 583 121 121 GLY CA C 43.914 0.015 1 584 121 121 GLY N N 117.084 0.030 1 585 122 122 ILE H H 9.223 0.008 1 586 122 122 ILE C C 176.407 0.014 1 587 122 122 ILE CA C 57.631 0.100 1 588 122 122 ILE CB C 38.359 0.100 1 589 122 122 ILE N N 125.210 0.080 1 590 123 123 GLN H H 9.035 0.005 1 591 123 123 GLN C C 174.416 0.100 1 592 123 123 GLN CA C 56.526 0.117 1 593 123 123 GLN CB C 27.185 0.068 1 594 123 123 GLN N N 127.409 0.053 1 595 124 124 ASN H H 8.281 0.007 1 596 124 124 ASN C C 174.235 0.021 1 597 124 124 ASN CA C 51.040 0.067 1 598 124 124 ASN CB C 40.392 0.029 1 599 124 124 ASN N N 122.439 0.067 1 600 125 125 ASP H H 8.546 0.009 1 601 125 125 ASP C C 177.883 0.009 1 602 125 125 ASP CA C 53.684 0.047 1 603 125 125 ASP CB C 39.013 0.045 1 604 125 125 ASP N N 125.036 0.052 1 605 126 126 ILE H H 8.797 0.007 1 606 126 126 ILE HD1 H 0.735 0.003 1 607 126 126 ILE C C 176.516 0.100 1 608 126 126 ILE CA C 60.541 0.085 1 609 126 126 ILE CB C 37.145 0.084 1 610 126 126 ILE CD1 C 15.252 0.023 1 611 126 126 ILE N N 123.534 0.100 1 612 127 127 THR C C 176.551 0.100 1 613 127 127 THR CA C 68.885 0.100 1 614 128 128 LYS H H 8.805 0.002 1 615 128 128 LYS C C 178.102 0.010 1 616 128 128 LYS CA C 58.791 0.013 1 617 128 128 LYS CB C 30.483 0.028 1 618 128 128 LYS N N 121.135 0.039 1 619 129 129 GLN H H 7.622 0.006 1 620 129 129 GLN C C 178.516 0.005 1 621 129 129 GLN CA C 58.934 0.006 1 622 129 129 GLN CB C 27.662 0.004 1 623 129 129 GLN N N 120.376 0.052 1 624 130 130 LYS H H 8.053 0.004 1 625 130 130 LYS C C 180.219 0.016 1 626 130 130 LYS CA C 57.236 0.100 1 627 130 130 LYS CB C 29.421 0.129 1 628 130 130 LYS N N 118.311 0.050 1 629 131 131 GLU H H 8.176 0.009 1 630 131 131 GLU C C 179.617 0.003 1 631 131 131 GLU CA C 59.056 0.100 1 632 131 131 GLU CB C 28.312 0.100 1 633 131 131 GLU N N 122.514 0.095 1 634 132 132 TYR H H 8.367 0.011 1 635 132 132 TYR C C 178.249 0.034 1 636 132 132 TYR CA C 60.465 0.100 1 637 132 132 TYR CB C 36.803 0.061 1 638 132 132 TYR N N 120.440 0.044 1 639 133 133 GLU H H 8.174 0.006 1 640 133 133 GLU C C 179.345 0.002 1 641 133 133 GLU CA C 59.352 0.037 1 642 133 133 GLU CB C 28.581 0.014 1 643 133 133 GLU N N 119.161 0.061 1 644 134 134 LYS H H 7.545 0.003 1 645 134 134 LYS C C 178.094 0.003 1 646 134 134 LYS CA C 58.256 0.135 1 647 134 134 LYS CB C 31.129 0.025 1 648 134 134 LYS N N 121.541 0.023 1 649 135 135 LEU H H 8.272 0.006 1 650 135 135 LEU C C 181.373 0.011 1 651 135 135 LEU CA C 57.443 0.060 1 652 135 135 LEU CB C 41.284 0.034 1 653 135 135 LEU N N 120.360 0.074 1 654 136 136 LEU H H 8.669 0.003 1 655 136 136 LEU C C 178.706 0.004 1 656 136 136 LEU CA C 57.772 0.056 1 657 136 136 LEU CB C 40.725 0.100 1 658 136 136 LEU N N 122.606 0.068 1 659 137 137 GLU H H 8.008 0.007 1 660 137 137 GLU C C 179.947 0.100 1 661 137 137 GLU CA C 59.526 0.026 1 662 137 137 GLU CB C 28.520 0.010 1 663 137 137 GLU N N 121.738 0.043 1 664 138 138 ASP H H 8.760 0.010 1 665 138 138 ASP C C 179.823 0.100 1 666 138 138 ASP CA C 57.014 0.100 1 667 138 138 ASP CB C 39.164 0.048 1 668 138 138 ASP N N 120.722 0.058 1 669 139 139 SER H H 8.350 0.005 1 670 139 139 SER C C 175.812 0.100 1 671 139 139 SER CA C 62.552 0.100 1 672 139 139 SER N N 119.433 0.042 1 673 140 140 LEU H H 8.437 0.003 1 674 140 140 LEU C C 176.548 0.100 1 675 140 140 LEU CA C 58.018 0.065 1 676 140 140 LEU CB C 39.776 0.011 1 677 140 140 LEU N N 123.691 0.168 1 678 141 141 THR H H 8.178 0.005 1 679 141 141 THR C C 176.882 0.100 1 680 141 141 THR CA C 66.053 0.054 1 681 141 141 THR CB C 68.057 0.019 1 682 141 141 THR N N 118.142 0.054 1 683 142 142 GLU H H 7.889 0.005 1 684 142 142 GLU C C 178.463 0.001 1 685 142 142 GLU CA C 58.845 0.100 1 686 142 142 GLU CB C 28.338 0.100 1 687 142 142 GLU N N 125.773 0.059 1 688 143 143 ILE H H 8.401 0.004 1 689 143 143 ILE HD1 H 1.021 0.003 1 690 143 143 ILE C C 179.634 0.100 1 691 143 143 ILE CA C 65.988 0.081 1 692 143 143 ILE CB C 37.159 0.152 1 693 143 143 ILE CD1 C 13.326 0.036 1 694 143 143 ILE N N 120.028 0.044 1 695 144 144 THR H H 8.059 0.004 1 696 144 144 THR C C 177.186 0.100 1 697 144 144 THR CA C 66.488 0.100 1 698 144 144 THR CB C 67.789 0.007 1 699 144 144 THR N N 117.347 0.048 1 700 145 145 ALA H H 7.930 0.003 1 701 145 145 ALA C C 179.855 0.007 1 702 145 145 ALA CA C 54.728 0.077 1 703 145 145 ALA CB C 17.199 0.032 1 704 145 145 ALA N N 126.175 0.040 1 705 146 146 LEU H H 7.952 0.004 1 706 146 146 LEU C C 178.323 0.010 1 707 146 146 LEU CA C 53.760 0.100 1 708 146 146 LEU CB C 43.153 0.020 1 709 146 146 LEU N N 117.378 0.061 1 710 147 147 SER H H 7.507 0.007 1 711 147 147 SER C C 174.708 0.100 1 712 147 147 SER CA C 62.561 0.013 1 713 147 147 SER CB C 64.188 0.005 1 714 147 147 SER N N 112.552 0.051 1 715 148 148 THR H H 8.049 0.006 1 716 148 148 THR C C 171.365 0.100 1 717 148 148 THR CA C 59.071 0.100 1 718 148 148 THR CB C 67.658 0.100 1 719 148 148 THR N N 113.271 0.046 1 720 149 149 PRO C C 173.221 0.100 1 721 149 149 PRO CA C 62.226 0.100 1 722 149 149 PRO CB C 28.847 0.100 1 723 150 150 ILE H H 7.587 0.004 1 724 150 150 ILE C C 176.119 0.005 1 725 150 150 ILE CA C 59.328 0.030 1 726 150 150 ILE CB C 38.831 0.021 1 727 150 150 ILE N N 121.429 0.055 1 728 151 151 VAL H H 9.243 0.003 1 729 151 151 VAL HG2 H 0.768 0.003 1 730 151 151 VAL C C 173.224 0.100 1 731 151 151 VAL CA C 57.543 0.084 1 732 151 151 VAL CB C 34.405 0.110 1 733 151 151 VAL CG2 C 20.743 0.078 1 734 151 151 VAL N N 126.432 0.028 1 735 152 152 PRO C C 175.295 0.100 1 736 152 152 PRO CA C 62.224 0.100 1 737 152 152 PRO CB C 30.884 0.100 1 738 153 153 ILE H H 8.100 0.004 1 739 153 153 ILE HD1 H 0.553 0.004 1 740 153 153 ILE C C 175.243 0.018 1 741 153 153 ILE CA C 61.917 0.193 1 742 153 153 ILE CB C 38.812 0.162 1 743 153 153 ILE CD1 C 12.739 0.047 1 744 153 153 ILE N N 119.650 0.057 1 745 154 154 ARG H H 7.853 0.004 1 746 154 154 ARG C C 175.117 0.100 1 747 154 154 ARG CA C 53.918 0.100 1 748 154 154 ARG CB C 32.063 0.100 1 749 154 154 ARG N N 113.160 0.049 1 750 155 155 ASN C C 176.010 0.100 1 751 155 155 ASN CA C 55.621 0.100 1 752 155 155 ASN CB C 36.641 0.100 1 753 156 156 GLY H H 8.749 0.004 1 754 156 156 GLY C C 173.670 0.007 1 755 156 156 GLY CA C 46.192 0.005 1 756 156 156 GLY N N 114.003 0.036 1 757 157 157 ILE H H 8.276 0.006 1 758 157 157 ILE HD1 H 0.234 0.005 1 759 157 157 ILE C C 175.636 0.003 1 760 157 157 ILE CA C 61.080 0.013 1 761 157 157 ILE CB C 41.075 0.110 1 762 157 157 ILE CD1 C 10.833 0.050 1 763 157 157 ILE N N 119.198 0.021 1 764 158 158 SER H H 8.018 0.004 1 765 158 158 SER C C 171.460 0.007 1 766 158 158 SER CA C 57.463 0.036 1 767 158 158 SER CB C 65.814 0.015 1 768 158 158 SER N N 123.858 0.045 1 769 159 159 ALA H H 9.137 0.005 1 770 159 159 ALA C C 174.800 0.019 1 771 159 159 ALA CA C 49.563 0.022 1 772 159 159 ALA CB C 22.370 0.014 1 773 159 159 ALA N N 123.699 0.050 1 774 160 160 LEU H H 9.190 0.006 1 775 160 160 LEU C C 173.179 0.100 1 776 160 160 LEU CA C 50.971 0.100 1 777 160 160 LEU CB C 44.359 0.100 1 778 160 160 LEU N N 122.166 0.029 1 779 161 161 PRO C C 174.835 0.100 1 780 161 161 PRO CA C 61.175 0.100 1 781 161 161 PRO CB C 30.553 0.100 1 782 162 162 LEU H H 8.654 0.006 1 783 162 162 LEU C C 175.485 0.009 1 784 162 162 LEU CA C 53.838 0.018 1 785 162 162 LEU CB C 41.688 0.021 1 786 162 162 LEU N N 126.181 0.020 1 787 163 163 VAL H H 7.969 0.006 1 788 163 163 VAL HG2 H 0.562 0.005 1 789 163 163 VAL C C 175.887 0.004 1 790 163 163 VAL CA C 58.652 0.141 1 791 163 163 VAL CB C 34.081 0.247 1 792 163 163 VAL CG2 C 19.486 0.045 1 793 163 163 VAL N N 119.578 0.042 1 794 164 164 GLY H H 8.008 0.009 1 795 164 164 GLY C C 173.147 0.100 1 796 164 164 GLY CA C 44.767 0.021 1 797 164 164 GLY N N 110.030 0.039 1 798 165 165 ASN H H 9.903 0.038 1 799 165 165 ASN C C 175.529 0.006 1 800 165 165 ASN CA C 52.565 0.077 1 801 165 165 ASN CB C 39.287 0.008 1 802 165 165 ASN N N 123.022 0.039 1 803 166 166 LEU H H 9.041 0.004 1 804 166 166 LEU C C 175.148 0.100 1 805 166 166 LEU CA C 53.634 0.022 1 806 166 166 LEU CB C 39.989 0.035 1 807 166 166 LEU N N 129.667 0.043 1 808 167 167 THR H H 7.016 0.011 1 809 167 167 THR C C 174.876 0.009 1 810 167 167 THR CA C 60.218 0.090 1 811 167 167 THR CB C 70.651 0.036 1 812 167 167 THR N N 115.353 0.038 1 813 168 168 GLU H H 9.044 0.003 1 814 168 168 GLU C C 178.653 0.010 1 815 168 168 GLU CA C 59.918 0.053 1 816 168 168 GLU CB C 28.681 0.100 1 817 168 168 GLU N N 122.739 0.049 1 818 169 169 GLU H H 8.822 0.010 1 819 169 169 GLU C C 179.818 0.009 1 820 169 169 GLU CA C 59.621 0.019 1 821 169 169 GLU CB C 28.230 0.047 1 822 169 169 GLU N N 118.203 0.047 1 823 170 170 ARG H H 7.884 0.008 1 824 170 170 ARG C C 178.715 0.007 1 825 170 170 ARG CA C 58.845 0.062 1 826 170 170 ARG CB C 29.408 0.030 1 827 170 170 ARG N N 121.736 0.051 1 828 171 171 PHE H H 9.042 0.004 1 829 171 171 PHE C C 176.561 0.001 1 830 171 171 PHE CA C 61.934 0.100 1 831 171 171 PHE CB C 38.204 0.022 1 832 171 171 PHE N N 121.057 0.043 1 833 172 172 ASN H H 8.451 0.005 1 834 172 172 ASN C C 178.351 0.019 1 835 172 172 ASN CA C 55.849 0.050 1 836 172 172 ASN CB C 37.106 0.008 1 837 172 172 ASN N N 117.326 0.053 1 838 173 173 SER H H 7.772 0.006 1 839 173 173 SER C C 176.970 0.100 1 840 173 173 SER CA C 61.512 0.019 1 841 173 173 SER CB C 62.509 0.089 1 842 173 173 SER N N 117.294 0.055 1 843 174 174 ILE H H 8.411 0.010 1 844 174 174 ILE HD1 H 0.803 0.003 1 845 174 174 ILE C C 176.130 0.100 1 846 174 174 ILE CA C 64.488 0.012 1 847 174 174 ILE CB C 37.150 0.132 1 848 174 174 ILE CD1 C 14.694 0.067 1 849 174 174 ILE N N 125.195 0.105 1 850 175 175 VAL H H 8.266 0.007 1 851 175 175 VAL HG2 H 0.430 0.002 1 852 175 175 VAL C C 179.315 0.100 1 853 175 175 VAL CA C 67.038 0.043 1 854 175 175 VAL CB C 30.872 0.100 1 855 175 175 VAL CG2 C 23.047 0.043 1 856 175 175 VAL N N 119.724 0.040 1 857 176 176 CYS H H 8.020 0.006 1 858 176 176 CYS C C 177.038 0.006 1 859 176 176 CYS CA C 58.857 0.025 1 860 176 176 CYS CB C 39.526 0.015 1 861 176 176 CYS N N 120.543 0.049 1 862 177 177 THR H H 8.543 0.004 1 863 177 177 THR C C 176.954 0.100 1 864 177 177 THR CA C 66.664 0.033 1 865 177 177 THR CB C 67.967 0.030 1 866 177 177 THR N N 119.724 0.043 1 867 178 178 LEU H H 9.221 0.005 1 868 178 178 LEU C C 178.722 0.008 1 869 178 178 LEU CA C 57.618 0.004 1 870 178 178 LEU CB C 41.212 0.086 1 871 178 178 LEU N N 121.071 0.040 1 872 179 179 THR H H 8.220 0.006 1 873 179 179 THR HG2 H 5.074 0.002 1 874 179 179 THR C C 176.663 0.100 1 875 179 179 THR CA C 66.392 0.037 1 876 179 179 THR CB C 68.221 0.072 1 877 179 179 THR N N 113.585 0.081 1 878 180 180 ASN H H 7.452 0.004 1 879 180 180 ASN C C 178.011 0.014 1 880 180 180 ASN CA C 56.079 0.100 1 881 180 180 ASN CB C 38.419 0.008 1 882 180 180 ASN N N 120.175 0.038 1 883 181 181 ILE H H 8.449 0.008 1 884 181 181 ILE C C 178.898 0.100 1 885 181 181 ILE CA C 64.268 0.100 1 886 181 181 ILE CB C 38.099 0.103 1 887 181 181 ILE N N 121.786 0.073 1 888 182 182 LEU H H 8.718 0.005 1 889 182 182 LEU C C 179.412 0.030 1 890 182 182 LEU CA C 56.388 0.084 1 891 182 182 LEU CB C 40.134 0.028 1 892 182 182 LEU N N 120.437 0.034 1 893 183 183 SER H H 7.650 0.004 1 894 183 183 SER C C 175.571 0.002 1 895 183 183 SER CA C 60.585 0.035 1 896 183 183 SER CB C 62.559 0.021 1 897 183 183 SER N N 114.034 0.064 1 898 184 184 THR H H 7.465 0.011 1 899 184 184 THR C C 175.383 0.005 1 900 184 184 THR CA C 62.904 0.067 1 901 184 184 THR CB C 69.164 0.043 1 902 184 184 THR N N 113.057 0.035 1 903 185 185 SER H H 8.308 0.011 1 904 185 185 SER C C 174.576 0.008 1 905 185 185 SER CA C 58.702 0.009 1 906 185 185 SER CB C 62.705 0.018 1 907 185 185 SER N N 119.117 0.021 1 908 186 186 LYS H H 8.337 0.003 1 909 186 186 LYS C C 176.308 0.003 1 910 186 186 LYS CA C 55.941 0.028 1 911 186 186 LYS CB C 29.771 0.002 1 912 186 186 LYS N N 121.419 0.040 1 913 187 187 ASP H H 7.585 0.008 1 914 187 187 ASP C C 175.692 0.100 1 915 187 187 ASP CA C 55.105 0.100 1 916 187 187 ASP CB C 40.202 0.100 1 917 187 187 ASP N N 121.304 0.079 1 918 188 188 ASP C C 176.850 0.100 1 919 188 188 ASP CA C 55.742 0.100 1 920 188 188 ASP CB C 42.126 0.100 1 921 189 189 TYR H H 8.365 0.008 1 922 189 189 TYR C C 173.602 0.022 1 923 189 189 TYR CA C 56.697 0.047 1 924 189 189 TYR CB C 41.837 0.020 1 925 189 189 TYR N N 116.975 0.045 1 926 190 190 LEU H H 8.452 0.005 1 927 190 190 LEU HD2 H 0.673 0.005 1 928 190 190 LEU C C 174.414 0.019 1 929 190 190 LEU CA C 52.701 0.051 1 930 190 190 LEU CB C 43.598 0.337 1 931 190 190 LEU CD2 C 21.999 0.027 1 932 190 190 LEU N N 123.966 0.046 1 933 191 191 ILE H H 9.031 0.004 1 934 191 191 ILE HD1 H 0.587 0.005 1 935 191 191 ILE C C 175.537 0.004 1 936 191 191 ILE CA C 59.143 0.041 1 937 191 191 ILE CB C 38.451 0.185 1 938 191 191 ILE CD1 C 14.953 0.045 1 939 191 191 ILE N N 127.151 0.046 1 940 192 192 ILE H H 9.340 0.007 1 941 192 192 ILE C C 173.689 0.006 1 942 192 192 ILE CA C 59.410 0.100 1 943 192 192 ILE CB C 38.460 0.046 1 944 192 192 ILE N N 127.806 0.064 1 945 193 193 ASP H H 8.171 0.004 1 946 193 193 ASP C C 176.511 0.005 1 947 193 193 ASP CA C 52.406 0.084 1 948 193 193 ASP CB C 43.721 0.038 1 949 193 193 ASP N N 126.075 0.036 1 950 194 194 LEU H H 8.879 0.003 1 951 194 194 LEU HD2 H 0.759 0.004 1 952 194 194 LEU C C 178.596 0.100 1 953 194 194 LEU CA C 53.785 0.171 1 954 194 194 LEU CB C 40.834 0.035 1 955 194 194 LEU CD2 C 25.080 0.046 1 956 194 194 LEU N N 124.875 0.039 1 957 195 195 SER H H 8.369 0.004 1 958 195 195 SER C C 176.209 0.100 1 959 195 195 SER CA C 62.301 0.035 1 960 195 195 SER CB C 63.245 0.016 1 961 195 195 SER N N 119.268 0.092 1 962 196 196 GLY H H 9.040 0.007 1 963 196 196 GLY C C 175.186 0.005 1 964 196 196 GLY CA C 44.539 0.024 1 965 196 196 GLY N N 109.524 0.049 1 966 197 197 LEU H H 7.530 0.006 1 967 197 197 LEU C C 177.757 0.005 1 968 197 197 LEU CA C 55.052 0.007 1 969 197 197 LEU CB C 41.624 0.004 1 970 197 197 LEU N N 125.136 0.025 1 971 198 198 ALA H H 8.829 0.008 1 972 198 198 ALA C C 177.756 0.100 1 973 198 198 ALA CA C 53.319 0.039 1 974 198 198 ALA CB C 18.552 0.006 1 975 198 198 ALA N N 128.872 0.046 1 976 199 199 GLN H H 7.553 0.006 1 977 199 199 GLN C C 174.486 0.005 1 978 199 199 GLN CA C 54.972 0.037 1 979 199 199 GLN CB C 30.188 0.001 1 980 199 199 GLN N N 114.937 0.063 1 981 200 200 VAL H H 8.293 0.003 1 982 200 200 VAL C C 174.966 0.017 1 983 200 200 VAL CA C 60.742 0.075 1 984 200 200 VAL CB C 32.650 0.001 1 985 200 200 VAL N N 119.379 0.045 1 986 201 201 ASN H H 8.386 0.006 1 987 201 201 ASN C C 175.533 0.003 1 988 201 201 ASN CA C 51.740 0.029 1 989 201 201 ASN CB C 39.065 0.016 1 990 201 201 ASN N N 122.764 0.039 1 991 202 202 GLU H H 9.210 0.004 1 992 202 202 GLU C C 178.264 0.034 1 993 202 202 GLU CA C 59.708 0.076 1 994 202 202 GLU CB C 28.258 0.030 1 995 202 202 GLU N N 119.797 0.050 1 996 203 203 GLN H H 8.346 0.004 1 997 203 203 GLN C C 177.553 0.001 1 998 203 203 GLN CA C 57.823 0.061 1 999 203 203 GLN CB C 27.694 0.062 1 1000 203 203 GLN N N 119.250 0.048 1 1001 204 204 THR H H 7.780 0.005 1 1002 204 204 THR HG2 H 5.874 0.006 1 1003 204 204 THR C C 176.379 0.100 1 1004 204 204 THR CA C 65.708 0.084 1 1005 204 204 THR CB C 67.882 0.050 1 1006 204 204 THR N N 118.065 0.035 1 1007 205 205 ALA H H 8.023 0.008 1 1008 205 205 ALA C C 178.181 0.018 1 1009 205 205 ALA CA C 55.202 0.019 1 1010 205 205 ALA CB C 17.315 0.004 1 1011 205 205 ALA N N 121.973 0.054 1 1012 206 206 ASP H H 7.704 0.004 1 1013 206 206 ASP C C 179.004 0.011 1 1014 206 206 ASP CA C 57.171 0.052 1 1015 206 206 ASP CB C 40.818 0.013 1 1016 206 206 ASP N N 117.706 0.071 1 1017 207 207 GLN H H 8.018 0.006 1 1018 207 207 GLN C C 178.526 0.027 1 1019 207 207 GLN CA C 58.579 0.010 1 1020 207 207 GLN CB C 27.093 0.001 1 1021 207 207 GLN N N 119.220 0.039 1 1022 208 208 ILE H H 8.163 0.005 1 1023 208 208 ILE HD1 H 0.698 0.002 1 1024 208 208 ILE C C 178.581 0.100 1 1025 208 208 ILE CA C 63.454 0.358 1 1026 208 208 ILE CB C 34.752 0.062 1 1027 208 208 ILE CD1 C 10.777 0.054 1 1028 208 208 ILE N N 119.353 0.035 1 1029 209 209 PHE H H 8.428 0.006 1 1030 209 209 PHE C C 179.433 0.027 1 1031 209 209 PHE CA C 61.100 0.001 1 1032 209 209 PHE CB C 37.651 0.029 1 1033 209 209 PHE N N 120.925 0.062 1 1034 210 210 LYS H H 8.615 0.005 1 1035 210 210 LYS C C 180.145 0.015 1 1036 210 210 LYS CA C 59.939 0.073 1 1037 210 210 LYS CB C 31.731 0.007 1 1038 210 210 LYS N N 122.094 0.081 1 1039 211 211 LEU H H 8.546 0.007 1 1040 211 211 LEU HD1 H 0.737 0.004 2 1041 211 211 LEU HD2 H 0.670 0.002 2 1042 211 211 LEU C C 178.327 0.010 1 1043 211 211 LEU CA C 57.606 0.159 1 1044 211 211 LEU CB C 40.814 0.122 1 1045 211 211 LEU CD1 C 23.980 0.047 2 1046 211 211 LEU CD2 C 25.321 0.150 2 1047 211 211 LEU N N 121.464 0.057 1 1048 212 212 SER H H 8.432 0.010 1 1049 212 212 SER C C 177.157 0.100 1 1050 212 212 SER CA C 61.290 0.100 1 1051 212 212 SER CB C 62.445 0.069 1 1052 212 212 SER N N 114.201 0.055 1 1053 213 213 HIS H H 7.877 0.011 1 1054 213 213 HIS C C 177.311 0.100 1 1055 213 213 HIS CA C 58.739 0.035 1 1056 213 213 HIS CB C 29.105 0.088 1 1057 213 213 HIS N N 120.787 0.036 1 1058 214 214 LEU H H 8.126 0.014 1 1059 214 214 LEU C C 179.987 0.005 1 1060 214 214 LEU CA C 57.518 0.001 1 1061 214 214 LEU CB C 41.280 0.053 1 1062 214 214 LEU N N 121.103 0.073 1 1063 215 215 LEU H H 8.202 0.005 1 1064 215 215 LEU HD2 H 0.690 0.004 1 1065 215 215 LEU C C 179.360 0.004 1 1066 215 215 LEU CA C 56.926 0.141 1 1067 215 215 LEU CB C 39.193 0.060 1 1068 215 215 LEU CD2 C 26.810 0.036 1 1069 215 215 LEU N N 119.586 0.040 1 1070 216 216 LYS H H 7.760 0.009 1 1071 216 216 LYS C C 179.937 0.004 1 1072 216 216 LYS CA C 58.357 0.100 1 1073 216 216 LYS CB C 31.049 0.022 1 1074 216 216 LYS N N 121.146 0.052 1 1075 217 217 LEU H H 7.577 0.008 1 1076 217 217 LEU C C 178.905 0.008 1 1077 217 217 LEU CA C 56.836 0.008 1 1078 217 217 LEU CB C 40.732 0.039 1 1079 217 217 LEU N N 119.082 0.060 1 1080 218 218 THR H H 7.594 0.003 1 1081 218 218 THR C C 175.090 0.100 1 1082 218 218 THR CA C 61.369 0.042 1 1083 218 218 THR CB C 69.232 0.029 1 1084 218 218 THR N N 109.162 0.067 1 1085 219 219 GLY H H 7.832 0.004 1 1086 219 219 GLY C C 173.986 0.001 1 1087 219 219 GLY CA C 45.505 0.050 1 1088 219 219 GLY N N 109.836 0.065 1 1089 220 220 THR H H 7.879 0.004 1 1090 220 220 THR C C 172.824 0.100 1 1091 220 220 THR CA C 62.049 0.100 1 1092 220 220 THR CB C 69.676 0.009 1 1093 220 220 THR N N 120.701 0.033 1 1094 221 221 GLU H H 8.203 0.004 1 1095 221 221 GLU C C 174.532 0.024 1 1096 221 221 GLU CA C 55.377 0.053 1 1097 221 221 GLU CB C 29.869 0.001 1 1098 221 221 GLU N N 128.667 0.058 1 1099 222 222 LEU H H 8.277 0.005 1 1100 222 222 LEU C C 174.735 0.002 1 1101 222 222 LEU CA C 54.024 0.007 1 1102 222 222 LEU CB C 42.462 0.049 1 1103 222 222 LEU N N 128.808 0.042 1 1104 223 223 ILE H H 9.024 0.004 1 1105 223 223 ILE C C 174.659 0.020 1 1106 223 223 ILE CA C 58.169 0.100 1 1107 223 223 ILE CB C 38.655 0.019 1 1108 223 223 ILE N N 128.843 0.052 1 1109 224 224 ILE H H 8.465 0.005 1 1110 224 224 ILE C C 175.655 0.010 1 1111 224 224 ILE CA C 58.559 0.100 1 1112 224 224 ILE CB C 38.595 0.025 1 1113 224 224 ILE N N 126.638 0.043 1 1114 225 225 THR H H 9.000 0.004 1 1115 225 225 THR HG2 H 5.379 0.005 1 1116 225 225 THR C C 175.732 0.011 1 1117 225 225 THR CA C 58.990 0.011 1 1118 225 225 THR CB C 71.154 0.001 1 1119 225 225 THR N N 116.619 0.035 1 1120 226 226 GLY H H 7.497 0.005 1 1121 226 226 GLY C C 174.328 0.011 1 1122 226 226 GLY CA C 47.076 0.018 1 1123 226 226 GLY N N 107.672 0.054 1 1124 227 227 ILE H H 7.930 0.007 1 1125 227 227 ILE C C 175.932 0.018 1 1126 227 227 ILE CA C 60.522 0.023 1 1127 227 227 ILE CB C 38.174 0.055 1 1128 227 227 ILE N N 118.615 0.035 1 1129 228 228 LYS H H 8.853 0.005 1 1130 228 228 LYS C C 176.219 0.100 1 1131 228 228 LYS CA C 54.717 0.100 1 1132 228 228 LYS CB C 30.873 0.100 1 1133 228 228 LYS N N 131.123 0.039 1 1134 229 229 PRO C C 178.934 0.100 1 1135 229 229 PRO CA C 65.774 0.100 1 1136 229 229 PRO CB C 31.064 0.100 1 1137 230 230 GLU H H 9.432 0.004 1 1138 230 230 GLU C C 178.943 0.021 1 1139 230 230 GLU CA C 59.377 0.007 1 1140 230 230 GLU CB C 28.174 0.024 1 1141 230 230 GLU N N 116.890 0.042 1 1142 231 231 LEU H H 7.282 0.005 1 1143 231 231 LEU C C 178.239 0.003 1 1144 231 231 LEU CA C 56.208 0.085 1 1145 231 231 LEU CB C 40.365 0.034 1 1146 231 231 LEU N N 120.585 0.044 1 1147 232 232 ALA H H 8.134 0.005 1 1148 232 232 ALA C C 179.824 0.012 1 1149 232 232 ALA CA C 55.141 0.007 1 1150 232 232 ALA CB C 16.975 0.005 1 1151 232 232 ALA N N 123.735 0.046 1 1152 233 233 MET H H 8.052 0.006 1 1153 233 233 MET C C 178.754 0.006 1 1154 233 233 MET CA C 58.109 0.090 1 1155 233 233 MET CB C 31.658 0.007 1 1156 233 233 MET N N 115.684 0.064 1 1157 234 234 LYS H H 7.273 0.012 1 1158 234 234 LYS C C 179.110 0.009 1 1159 234 234 LYS CA C 58.348 0.100 1 1160 234 234 LYS CB C 31.729 0.082 1 1161 234 234 LYS N N 119.517 0.031 1 1162 235 235 MET H H 8.170 0.004 1 1163 235 235 MET C C 177.390 0.002 1 1164 235 235 MET CA C 57.880 0.038 1 1165 235 235 MET CB C 30.881 0.097 1 1166 235 235 MET N N 118.676 0.055 1 1167 236 236 ASN H H 7.923 0.006 1 1168 236 236 ASN C C 176.443 0.002 1 1169 236 236 ASN CA C 54.870 0.026 1 1170 236 236 ASN CB C 38.409 0.032 1 1171 236 236 ASN N N 117.183 0.039 1 1172 237 237 LYS H H 7.401 0.007 1 1173 237 237 LYS C C 177.744 0.007 1 1174 237 237 LYS CA C 57.052 0.029 1 1175 237 237 LYS CB C 31.681 0.007 1 1176 237 237 LYS N N 118.001 0.026 1 1177 238 238 LEU H H 7.538 0.005 1 1178 238 238 LEU C C 177.322 0.002 1 1179 238 238 LEU CA C 55.838 0.017 1 1180 238 238 LEU CB C 41.726 0.026 1 1181 238 238 LEU N N 120.179 0.035 1 1182 239 239 ASP H H 7.903 0.004 1 1183 239 239 ASP C C 175.966 0.005 1 1184 239 239 ASP CA C 53.626 0.015 1 1185 239 239 ASP CB C 41.879 0.004 1 1186 239 239 ASP N N 118.726 0.037 1 1187 240 240 ALA H H 8.567 0.005 1 1188 240 240 ALA C C 178.808 0.005 1 1189 240 240 ALA CA C 53.608 0.100 1 1190 240 240 ALA CB C 17.911 0.023 1 1191 240 240 ALA N N 128.124 0.071 1 1192 241 241 ASN H H 8.721 0.006 1 1193 241 241 ASN C C 176.900 0.010 1 1194 241 241 ASN CA C 53.798 0.018 1 1195 241 241 ASN CB C 37.929 0.016 1 1196 241 241 ASN N N 116.171 0.036 1 1197 242 242 PHE H H 8.432 0.008 1 1198 242 242 PHE C C 178.296 0.100 1 1199 242 242 PHE CA C 60.440 0.057 1 1200 242 242 PHE CB C 38.377 0.061 1 1201 242 242 PHE N N 123.335 0.047 1 1202 243 243 SER H H 8.218 0.002 1 1203 243 243 SER C C 174.999 0.011 1 1204 243 243 SER CA C 60.002 0.091 1 1205 243 243 SER CB C 62.506 0.013 1 1206 243 243 SER N N 113.880 0.034 1 1207 244 244 SER H H 7.912 0.006 1 1208 244 244 SER HG H 4.415 0.008 1 1209 244 244 SER C C 174.524 0.008 1 1210 244 244 SER CA C 58.805 0.045 1 1211 244 244 SER CB C 63.288 0.036 1 1212 244 244 SER N N 116.730 0.039 1 1213 245 245 LEU H H 7.589 0.003 1 1214 245 245 LEU C C 176.957 0.005 1 1215 245 245 LEU CA C 54.483 0.056 1 1216 245 245 LEU CB C 41.329 0.025 1 1217 245 245 LEU N N 124.594 0.048 1 1218 246 246 LYS H H 9.078 0.008 1 1219 246 246 LYS C C 175.032 0.002 1 1220 246 246 LYS CA C 56.487 0.075 1 1221 246 246 LYS CB C 31.953 0.001 1 1222 246 246 LYS N N 126.609 0.031 1 1223 247 247 THR H H 7.361 0.005 1 1224 247 247 THR C C 173.302 0.008 1 1225 247 247 THR CA C 58.446 0.080 1 1226 247 247 THR CB C 71.252 0.005 1 1227 247 247 THR N N 113.623 0.071 1 1228 248 248 TYR H H 8.195 0.005 1 1229 248 248 TYR C C 176.971 0.002 1 1230 248 248 TYR CA C 56.217 0.007 1 1231 248 248 TYR CB C 42.591 0.006 1 1232 248 248 TYR N N 117.147 0.046 1 1233 249 249 SER H H 9.713 0.005 1 1234 249 249 SER C C 174.961 0.100 1 1235 249 249 SER CA C 61.677 0.026 1 1236 249 249 SER CB C 62.475 0.020 1 1237 249 249 SER N N 118.389 0.032 1 1238 250 250 ASN H H 7.634 0.006 1 1239 250 250 ASN C C 174.833 0.100 1 1240 250 250 ASN CA C 51.528 0.044 1 1241 250 250 ASN CB C 40.971 0.016 1 1242 250 250 ASN N N 113.005 0.049 1 1243 251 251 VAL H H 8.750 0.006 1 1244 251 251 VAL HG2 H 0.767 0.002 1 1245 251 251 VAL C C 177.095 0.100 1 1246 251 251 VAL CA C 67.022 0.111 1 1247 251 251 VAL CB C 31.445 0.106 1 1248 251 251 VAL CG2 C 21.078 0.047 1 1249 251 251 VAL N N 121.884 0.080 1 1250 252 252 LYS H H 7.862 0.009 1 1251 252 252 LYS C C 179.637 0.008 1 1252 252 252 LYS CA C 58.728 0.100 1 1253 252 252 LYS CB C 30.834 0.032 1 1254 252 252 LYS N N 117.595 0.033 1 1255 253 253 ASP H H 8.058 0.005 1 1256 253 253 ASP C C 177.588 0.100 1 1257 253 253 ASP CA C 56.588 0.081 1 1258 253 253 ASP CB C 40.345 0.034 1 1259 253 253 ASP N N 120.819 0.036 1 1260 254 254 ALA H H 6.984 0.003 1 1261 254 254 ALA C C 178.396 0.022 1 1262 254 254 ALA CA C 53.464 0.011 1 1263 254 254 ALA CB C 18.295 0.005 1 1264 254 254 ALA N N 120.864 0.029 1 1265 255 255 VAL H H 8.131 0.006 1 1266 255 255 VAL HG2 H 0.782 0.006 1 1267 255 255 VAL C C 177.490 0.100 1 1268 255 255 VAL CA C 65.429 0.126 1 1269 255 255 VAL CB C 31.102 0.157 1 1270 255 255 VAL CG2 C 21.284 0.094 1 1271 255 255 VAL N N 115.316 0.029 1 1272 256 256 LYS H H 7.238 0.007 1 1273 256 256 LYS C C 177.970 0.022 1 1274 256 256 LYS CA C 58.410 0.082 1 1275 256 256 LYS CB C 32.064 0.008 1 1276 256 256 LYS N N 117.265 0.048 1 1277 257 257 VAL H H 6.952 0.007 1 1278 257 257 VAL HG2 H 0.819 0.003 1 1279 257 257 VAL C C 176.652 0.011 1 1280 257 257 VAL CA C 61.433 0.186 1 1281 257 257 VAL CB C 31.956 0.095 1 1282 257 257 VAL CG2 C 19.101 0.067 1 1283 257 257 VAL N N 111.885 0.066 1 1284 258 258 LEU H H 7.204 0.008 1 1285 258 258 LEU HD2 H 0.194 0.003 1 1286 258 258 LEU C C 174.636 0.100 1 1287 258 258 LEU CA C 52.996 0.032 1 1288 258 258 LEU CB C 39.409 0.204 1 1289 258 258 LEU CD2 C 20.839 0.042 1 1290 258 258 LEU N N 124.634 0.029 1 1291 259 259 PRO C C 176.592 0.100 1 1292 259 259 PRO CA C 62.752 0.100 1 1293 259 259 PRO CB C 31.354 0.100 1 1294 260 260 ILE H H 8.329 0.004 1 1295 260 260 ILE HD1 H 0.864 0.006 1 1296 260 260 ILE C C 175.434 0.004 1 1297 260 260 ILE CA C 61.022 0.095 1 1298 260 260 ILE CB C 37.475 0.035 1 1299 260 260 ILE CD1 C 16.787 0.087 1 1300 260 260 ILE N N 122.808 0.018 1 1301 261 261 MET H H 8.184 0.005 1 1302 261 261 MET C C 180.816 0.100 1 1303 261 261 MET CA C 56.346 0.100 1 1304 261 261 MET CB C 33.226 0.100 1 1305 261 261 MET N N 132.595 0.037 1 stop_ save_