data_16481 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the hyperthermostable 264-residue endo--1,3-glucanase LamA at 62 C ; _BMRB_accession_number 16481 _BMRB_flat_file_name bmr16481.str _Entry_type original _Submission_date 2009-09-07 _Accession_date 2009-09-07 _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 Ippel Johannes H. . 2 Koutsopoulos Sotirios . . 3 Nabuurs Sanne M. . 4 'van Berkel' Willem J.H. . 5 'van der Oost' John H. . 6 'van Mierlo' Carlo P.M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1687 "13C chemical shifts" 1799 "15N chemical shifts" 526 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-03 update BMRB 'complete entry citation' 2009-11-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR characterization of a 264-residue hyperthermostable endo-beta-1,3-glucanase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19913513 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ippel Johannes H. . 2 Koutsopoulos Sotirios . . 3 Nabuurs Sanne M. . 4 'van Berkel' Willem J.H. . 5 'van der Oost' John . . 6 'van Mierlo' Carlo P.M. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 391 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 370 _Page_last 375 _Year 2010 _Details . loop_ _Keyword endo--1,3-glucanase 'glycoside hydrolase family GH-16' laminarase 'Pyrococcus furiosus' thermoenzyme stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'pfLamA (50% Ca2+)' _Enzyme_commission_number 'EC 3.2.1.39' loop_ _Mol_system_component_name _Mol_label enzym $pfLamA metal $CA stop_ _System_molecular_weight 30125 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ENDO-BETA-1,3-GLUCANASE 'glycosyl hydrolase' laminarase stop_ _Database_query_date . _Details 'A sample was used in which half of the pfLamA molecules had their calcium-binding site filled with Ca2+.' save_ ######################## # Monomeric polymers # ######################## save_pfLamA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pfLamA _Molecular_mass 30085 _Mol_thiol_state 'all free' loop_ _Biological_function 'hydrolysis of beta-1,3 linked glucose polymers (laminarin)' stop_ _Details ; Calculated mass (natural abundance): 30085 Dalton. Exptl mass by MALDITOF: 30135 Dalton (including calcium ion and with oxidized Met34). ; ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; MVPEVIEIDGKQWRLIWHDE FEGSEVNKEYWTFEKGNGIA YGIPGWGNGELEYYTENNTY IVNGTLVIEARKEIITDPNE GTFLYTSSRLKTEGKVEFSP PVVVEARIKLPKGKGLWPAF WMLGSNIREVGWPNCGEIDI MEFLGHEPRTIHGTVHGPGY SGSKGITRAYTLPEGVPDFT EDFHVFGIVWYPDKIKWYVD GTFYHEVTKEQVEAMGYEWV FDKPFYIILNLAVGGYWPGN PDATTPFPAKMVVDYVRVYS FVSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 34 MET 2 35 VAL 3 36 PRO 4 37 GLU 5 38 VAL 6 39 ILE 7 40 GLU 8 41 ILE 9 42 ASP 10 43 GLY 11 44 LYS 12 45 GLN 13 46 TRP 14 47 ARG 15 48 LEU 16 49 ILE 17 50 TRP 18 51 HIS 19 52 ASP 20 53 GLU 21 54 PHE 22 55 GLU 23 56 GLY 24 57 SER 25 58 GLU 26 59 VAL 27 60 ASN 28 61 LYS 29 62 GLU 30 63 TYR 31 64 TRP 32 65 THR 33 66 PHE 34 67 GLU 35 68 LYS 36 69 GLY 37 70 ASN 38 71 GLY 39 72 ILE 40 73 ALA 41 74 TYR 42 75 GLY 43 76 ILE 44 77 PRO 45 78 GLY 46 79 TRP 47 80 GLY 48 81 ASN 49 82 GLY 50 83 GLU 51 84 LEU 52 85 GLU 53 86 TYR 54 87 TYR 55 88 THR 56 89 GLU 57 90 ASN 58 91 ASN 59 92 THR 60 93 TYR 61 94 ILE 62 95 VAL 63 96 ASN 64 97 GLY 65 98 THR 66 99 LEU 67 100 VAL 68 101 ILE 69 102 GLU 70 103 ALA 71 104 ARG 72 105 LYS 73 106 GLU 74 107 ILE 75 108 ILE 76 109 THR 77 110 ASP 78 111 PRO 79 112 ASN 80 113 GLU 81 114 GLY 82 115 THR 83 116 PHE 84 117 LEU 85 118 TYR 86 119 THR 87 120 SER 88 121 SER 89 122 ARG 90 123 LEU 91 124 LYS 92 125 THR 93 126 GLU 94 127 GLY 95 128 LYS 96 129 VAL 97 130 GLU 98 131 PHE 99 132 SER 100 133 PRO 101 134 PRO 102 135 VAL 103 136 VAL 104 137 VAL 105 138 GLU 106 139 ALA 107 140 ARG 108 141 ILE 109 142 LYS 110 143 LEU 111 144 PRO 112 145 LYS 113 146 GLY 114 147 LYS 115 148 GLY 116 149 LEU 117 150 TRP 118 151 PRO 119 152 ALA 120 153 PHE 121 154 TRP 122 155 MET 123 156 LEU 124 157 GLY 125 158 SER 126 159 ASN 127 160 ILE 128 161 ARG 129 162 GLU 130 163 VAL 131 164 GLY 132 165 TRP 133 166 PRO 134 167 ASN 135 168 CYS 136 169 GLY 137 170 GLU 138 171 ILE 139 172 ASP 140 173 ILE 141 174 MET 142 175 GLU 143 176 PHE 144 177 LEU 145 178 GLY 146 179 HIS 147 180 GLU 148 181 PRO 149 182 ARG 150 183 THR 151 184 ILE 152 185 HIS 153 186 GLY 154 187 THR 155 188 VAL 156 189 HIS 157 190 GLY 158 191 PRO 159 192 GLY 160 193 TYR 161 194 SER 162 195 GLY 163 196 SER 164 197 LYS 165 198 GLY 166 199 ILE 167 200 THR 168 201 ARG 169 202 ALA 170 203 TYR 171 204 THR 172 205 LEU 173 206 PRO 174 207 GLU 175 208 GLY 176 209 VAL 177 210 PRO 178 211 ASP 179 212 PHE 180 213 THR 181 214 GLU 182 215 ASP 183 216 PHE 184 217 HIS 185 218 VAL 186 219 PHE 187 220 GLY 188 221 ILE 189 222 VAL 190 223 TRP 191 224 TYR 192 225 PRO 193 226 ASP 194 227 LYS 195 228 ILE 196 229 LYS 197 230 TRP 198 231 TYR 199 232 VAL 200 233 ASP 201 234 GLY 202 235 THR 203 236 PHE 204 237 TYR 205 238 HIS 206 239 GLU 207 240 VAL 208 241 THR 209 242 LYS 210 243 GLU 211 244 GLN 212 245 VAL 213 246 GLU 214 247 ALA 215 248 MET 216 249 GLY 217 250 TYR 218 251 GLU 219 252 TRP 220 253 VAL 221 254 PHE 222 255 ASP 223 256 LYS 224 257 PRO 225 258 PHE 226 259 TYR 227 260 ILE 228 261 ILE 229 262 LEU 230 263 ASN 231 264 LEU 232 265 ALA 233 266 VAL 234 267 GLY 235 268 GLY 236 269 TYR 237 270 TRP 238 271 PRO 239 272 GLY 240 273 ASN 241 274 PRO 242 275 ASP 243 276 ALA 244 277 THR 245 278 THR 246 279 PRO 247 280 PHE 248 281 PRO 249 282 ALA 250 283 LYS 251 284 MET 252 285 VAL 253 286 VAL 254 287 ASP 255 288 TYR 256 289 VAL 257 290 ARG 258 291 VAL 259 292 TYR 260 293 SER 261 294 PHE 262 295 VAL 263 296 SER 264 297 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2VY0 "The X-Ray Structure Of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus" 100.00 264 100.00 100.00 0.00e+00 GB AAC25554 "endo-beta-1,3-glucanase precursor [Pyrococcus furiosus DSM 3638]" 100.00 297 99.62 99.62 0.00e+00 GB AAL80200 "endo-beta-1,3-glucanase [Pyrococcus furiosus DSM 3638]" 100.00 297 99.62 99.62 0.00e+00 GB AFN04498 "endo-beta-1,3-glucanase [Pyrococcus furiosus COM1]" 100.00 297 99.62 99.62 0.00e+00 REF WP_011011188 "endo-beta-1,3-glucanase [Pyrococcus furiosus]" 100.00 297 99.62 99.62 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? 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 _Strain $pfLamA 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus 'DSM 3638' 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 $pfLamA 'recombinant technology' . Escherichia coli . DE3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pfLamA_(50%_Ca2+)_15N_13C-labelled _Saveframe_category sample _Sample_type solution _Details ; A sample was used in which half of the uniformly 15N/13C-labelled pfLamA molecules had their calcium-binding site filled with Ca2+. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pfLamA 1.5 mM '[U-98% 13C; U-98% 15N]' $CA 0.75 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_pfLamA_(100%_Ca2+)_15N_13C-labelled _Saveframe_category sample _Sample_type solution _Details ; A sample was used in which all uniformly 15N/13C-labelled pfLamA molecules had their calcium-binding site filled with Ca2+ (achieved by adding 10 mM CaCl2 to a sample of protein that contains no calcium). ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pfLamA 1.5 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 10 mM 'natural abundance' $CA 10 mM 'natural abundance' stop_ save_ save_pfLamA_(50%_Ca2+)_non-labelled _Saveframe_category sample _Sample_type solution _Details ; A sample was used in which half of the non-labelled pfLamA molecules had their calcium-binding site filled with Ca2+. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pfLamA 1 mM 'natural abundance' $CA 0.5 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_pfLamA_(50%_Ca2+)_15N-labelled _Saveframe_category sample _Sample_type solution _Details ; A sample was used in which half of the uniformly 15N-labelled pfLamA molecules had their calcium-binding site filled with Ca2+. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pfLamA 1.5 mM '[U-98% 15N]' $CA 0.75 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NEASY_CARA _Saveframe_category software _Name NEASY/CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_PACES _Saveframe_category software _Name PACES _Version . loop_ _Vendor _Address _Electronic_address '(PACES) Coggins and Zhou' 'Department of Biochemistry, Duke University Medical Center, Durham, NC, USA' http://152.16.14.71/paces stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Software for automated backbone assignment of proteins' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $pfLamA_(50%_Ca2+)_15N-labelled save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $pfLamA_(50%_Ca2+)_non-labelled save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $pfLamA_(50%_Ca2+)_non-labelled save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_CNH_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH NOESY' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_3D_CBCA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_3D_HNCO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_3D_HNCACB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled save_ save_3D_HN(CO)CA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ save_3D_HNCA_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $pfLamA_(50%_Ca2+)_15N_13C-labelled save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; High temperature: T = 335 K (i.e., 62 oC). Error in temperature is maximally 1 K, as estimated from an additional NMR sample containing buffer and DSS. The difference in chemical shift between H2O and DSS was plotted as a function of temperature. Temperature was determined using an internal thermocouple in the NMR tube. Subsequently, the difference in chemical shift between H2O and DSS of the pfLamA sample led to the determination of the actual temperature of the protein sample. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1.0 . atm temperature 335 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; 1H proton chemical shifts are referenced to internal DSS. Indirect chemical shift referencing of 15N and 13C (relative to 1H DSS set to 0 ppm) and recalibration to a temperature of T=62 oC (T=335 K). The temperature of the NMR sample in the probe is derived from the following temperature calibration samples: a sample of DSS in 90%/10% H2O/D2O and a sample of neat MeOH. The temperature corrections for the indirect chemical shift ratios of 13C and 15N are done according to the temperature correction given in: Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," J. Biomol. NMR 6, 135-140 (1995). The indirect chemical shift ratios used at 62 oC are: 15N (0 ppm DSS)= 0.101329128 13C (0 ppm DSS)= 0.251449567 Chemical shifts of 15N and 13C are therefore +0.097 ppm and +0.148 ppm, respectively, compared to standard IUPAC indirect chemical shift referencing rules. ; 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_cs-pfLamA_(50%_Ca2+)_15N_13C-labelled _Saveframe_category assigned_chemical_shifts _Details ; Chemical shift list of pfLamA (aromatic resonances of His, Phe and Tyr are not assigned). A sample was used in which half of the pfLamA molecules had their calcium-binding site filled with Ca2+ (i.e., sample pfLamA 50%). Slow conformational exchange on the NMR chemical shift time scale exists between the calcium-containing and the non-calcium-containing conformers of pfLamA, leading to doubled resonances for several atoms placed close to the calcium binding site. Because it is not allowed for BMRB entries to have non-standard amino acid atom names, only a single set of chemical shifts from one conformer can be given in the resonance list. However, in order to preserve the chemical shift details of residues that are involved in slow exchange between the calcium-containing conformer and the non calcium-containing conformer of the protein, details that are important for monitoring structural changes of the protein at the primary calcium binding site, we have compiled a separate chemical shift list of all atoms whose resonances are affected by calcium (i.e., Table S1, see below) In this additional table S1 assignments indicated by subindex_a correspond to the calcium-containing conformer of pfLamA; assignments labeled _b correspond to the non calcium-containing conformer. Assignments indicated by subindex _1 and _2 again correspond to calcium-containing and non calcium-containing conformers of pfLamA, but now unfortunately we could not unambiguously decide whether the resonance belongs to either the calcium-containing conformer or to the non calcium-containing conformer. Assignments that are not labeled by subindices have identical chemical shifts in the calcium-containing conformer of pfLamA and the non-calcium-containing conformer of pfLamA. In the official BMRB assignment table of pfLamA_(50%_Ca2+) the peaks that are labeled _a (belonging to the calcium-containing conformer) and _1 in Table S1 are incorporated. Note that in case of Val155 only chemical shift values for H_b and N_b are reported, as the corresponding H_a and N_a peaks could not be assigned due to spectral overlap. As a result, atoms H_b and N_b, instead of H_a and N_a, have been inserted in the final BMRB assignment table of pfLamA-50%. As a result, H and N of V155 have been given a chemical shift ambiguity code 9. Extra table S1: Atoms of pfLamA_(50%_Ca2+) that give rise to two resonances _Atom_chem_shift.Seq_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Ambiguity_code 18 51 HIS H_a H 7.017 0.02 1 18 51 HIS H_b H 6.978 0.02 1 21 54 PHE C_a C 172.45 0.1 1 21 54 PHE C_b C 173.61 0.1 1 21 54 PHE HA_1 H 4.134 0.02 9 21 54 PHE HA_2 H 3.996 0.02 9 22 55 GLU H_a H 7.638 0.02 1 22 55 GLU H_b H 7.552 0.02 1 22 55 GLU C_a C 177.37 0.1 1 22 55 GLU C_b C 177.71 0.1 1 22 55 GLU HA_1 H 4.358 0.02 9 22 55 GLU HA_2 H 4.440 0.02 9 22 55 GLU HB3_1 H 1.778 0.02 9 22 55 GLU HB3_2 H 1.840 0.02 9 23 56 GLY H_a H 7.865 0.02 1 23 56 GLY H_b H 7.910 0.02 1 23 56 GLY N_a N 107.61 0.2 1 23 56 GLY N_b N 107.90 0.2 1 31 64 TRP NE1_a N 130.95 0.2 1 31 64 TRP NE1_b N 131.33 0.2 1 31 64 TRP HE1_a H 11.914 0.02 1 31 64 TRP HE1_b H 12.045 0.02 1 43 76 ILE HG13_1 H 0.807 0.02 9 43 76 ILE HG13_2 H 0.765 0.02 9 60 93 TYR H_a H 8.582 0.02 1 60 93 TYR H_b H 8.634 0.02 1 60 93 TYR N_a N 121.10 0.2 1 60 93 TYR N_b N 121.11 0.2 1 62 95 VAL H_a H 8.758 0.02 1 62 95 VAL H_b H 8.763 0.02 1 62 95 VAL N_a N 124.30 0.2 1 62 95 VAL N_b N 124.94 0.2 1 64 97 GLY H_a H 8.659 0.02 1 64 97 GLY H_b H 8.474 0.02 1 64 97 GLY N_a N 103.33 0.2 1 64 97 GLY N_b N 104.83 0.2 1 66 99 LEU H_a H 8.469 0.02 1 66 99 LEU H_b H 8.465 0.02 1 66 99 LEU N_a N 124.75 0.2 1 66 99 LEU N_b N 124.50 0.2 1 67 100 VAL H_a H 8.934 0.02 1 67 100 VAL H_b H 8.919 0.02 1 67 100 VAL N_a N 128.29 0.2 1 67 100 VAL N_b N 127.60 0.2 1 68 101 ILE HD11_1 H 0.457 0.02 9 68 101 ILE HD12_1 H 0.457 0.02 9 68 101 ILE HD13_1 H 0.457 0.02 9 68 101 ILE HD11_2 H 0.501 0.02 9 68 101 ILE HD12_2 H 0.501 0.02 9 68 101 ILE HD13_2 H 0.501 0.02 9 107 140 ARG H_a H 6.331 0.02 1 107 140 ARG H_b H 6.495 0.02 1 107 140 ARG N_a N 122.17 0.2 1 107 140 ARG N_b N 122.25 0.2 1 107 140 ARG HD2_1 H 3.313 0.02 9 107 140 ARG HD2_2 H 3.220 0.02 9 108 141 ILE H_a H 9.229 0.02 1 108 141 ILE H_b H 9.128 0.02 1 108 141 ILE N_a N 126.51 0.2 1 108 141 ILE N_b N 125.72 0.2 1 155 188 VAL H_b H 7.580 0.02 1 155 188 VAL N_b N 119.19 0.2 1 186 219 PHE H_a H 8.922 0.02 1 186 219 PHE H_b H 8.956 0.02 1 186 219 PHE N_a N 124.96 0.2 1 186 219 PHE N_b N 125.01 0.2 1 223 256 LYS HG2_1 H 1.709 0.02 9 223 256 LYS HG2_2 H 1.540 0.02 9 223 256 LYS HD2_1 H 1.833 0.02 9 223 256 LYS HD2_2 H 1.662 0.02 9 238 271 PRO HG2_1 H 1.809 0.02 9 238 271 PRO HG2_2 H 2.038 0.02 9 252 285 VAL HA_1 H 4.907 0.02 9 252 285 VAL HA_2 H 4.889 0.02 9 252 285 VAL HB_1 H 1.807 0.02 9 252 285 VAL HB_2 H 1.821 0.02 9 253 286 VAL H_a H 9.947 0.02 1 253 286 VAL H_b H 9.928 0.02 1 253 286 VAL N_a N 128.26 0.2 1 253 286 VAL N_b N 128.82 0.2 1 256 289 VAL H_a H 8.374 0.02 1 256 289 VAL H_b H 8.340 0.02 1 256 289 VAL N_a N 117.39 0.2 1 256 289 VAL N_b N 116.80 0.2 1 257 290 ARG HD3_1 H 2.345 0.02 9 257 290 ARG HD3_2 H 2.368 0.02 9 ; loop_ _Software_label $xwinnmr $NEASY_CARA $NMRPipe $SPARKY $PACES stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CNH NOESY' '3D HN(CO)CA' '3D HNCA' stop_ loop_ _Sample_label $pfLamA_(50%_Ca2+)_15N-labelled $pfLamA_(50%_Ca2+)_15N_13C-labelled $pfLamA_(50%_Ca2+)_non-labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name enzym _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 35 2 VAL HA H 4.123 0.02 1 2 35 2 VAL HB H 1.805 0.02 1 3 35 2 VAL HG1 H 0.721 0.02 2 4 35 2 VAL HG2 H 0.419 0.02 2 5 35 2 VAL CA C 59.46 0.1 1 6 35 2 VAL CB C 32.82 0.1 1 7 35 2 VAL CG1 C 20.94 0.1 2 8 35 2 VAL CG2 C 20.36 0.1 2 9 36 3 PRO HA H 4.456 0.02 1 10 36 3 PRO HB2 H 2.185 0.02 2 11 36 3 PRO HB3 H 1.874 0.02 2 12 36 3 PRO HD2 H 3.767 0.02 2 13 36 3 PRO HD3 H 3.355 0.02 2 14 36 3 PRO HG2 H 2.027 0.02 2 15 36 3 PRO HG3 H 1.891 0.02 2 16 36 3 PRO C C 176.53 0.1 1 17 36 3 PRO CA C 62.38 0.1 1 18 36 3 PRO CB C 31.03 0.1 1 19 36 3 PRO CD C 50.95 0.1 1 20 36 3 PRO CG C 27.31 0.1 1 21 37 4 GLU H H 8.512 0.02 1 22 37 4 GLU HA H 4.109 0.02 1 23 37 4 GLU HB2 H 2.159 0.02 2 24 37 4 GLU HB3 H 2.034 0.02 2 25 37 4 GLU HG2 H 2.268 0.02 2 26 37 4 GLU HG3 H 2.124 0.02 2 27 37 4 GLU C C 175.53 0.1 1 28 37 4 GLU CA C 58.13 0.1 1 29 37 4 GLU CB C 30.55 0.1 1 30 37 4 GLU CG C 36.74 0.1 1 31 37 4 GLU N N 125.83 0.2 1 32 38 5 VAL H H 7.490 0.02 1 33 38 5 VAL HA H 5.441 0.02 1 34 38 5 VAL HB H 1.890 0.02 1 35 38 5 VAL HG1 H 0.901 0.02 2 36 38 5 VAL HG2 H 0.901 0.02 2 37 38 5 VAL C C 175.55 0.1 1 38 38 5 VAL CA C 59.99 0.1 1 39 38 5 VAL CB C 35.13 0.1 1 40 38 5 VAL CG1 C 21.07 0.1 2 41 38 5 VAL CG2 C 21.07 0.1 2 42 38 5 VAL N N 116.15 0.2 1 43 39 6 ILE H H 8.549 0.02 1 44 39 6 ILE HA H 4.629 0.02 1 45 39 6 ILE HB H 1.464 0.02 1 46 39 6 ILE HD1 H -0.119 0.02 1 47 39 6 ILE HG12 H 0.885 0.02 2 48 39 6 ILE HG13 H 0.045 0.02 2 49 39 6 ILE HG2 H 0.420 0.02 1 50 39 6 ILE C C 173.63 0.1 1 51 39 6 ILE CA C 59.19 0.1 1 52 39 6 ILE CB C 42.74 0.1 1 53 39 6 ILE CD1 C 13.50 0.1 1 54 39 6 ILE CG1 C 25.72 0.1 1 55 39 6 ILE CG2 C 17.35 0.1 1 56 39 6 ILE N N 118.79 0.2 1 57 40 7 GLU H H 8.050 0.02 1 58 40 7 GLU HA H 5.558 0.02 1 59 40 7 GLU HB2 H 1.927 0.02 2 60 40 7 GLU HB3 H 1.815 0.02 2 61 40 7 GLU HG2 H 2.112 0.02 2 62 40 7 GLU HG3 H 1.984 0.02 2 63 40 7 GLU C C 175.93 0.1 1 64 40 7 GLU CA C 54.67 0.1 1 65 40 7 GLU CB C 31.32 0.1 1 66 40 7 GLU CG C 36.49 0.1 1 67 40 7 GLU N N 121.64 0.2 1 68 41 8 ILE H H 8.589 0.02 1 69 41 8 ILE HA H 4.361 0.02 1 70 41 8 ILE HB H 1.547 0.02 1 71 41 8 ILE HD1 H 0.095 0.02 1 72 41 8 ILE HG12 H 1.363 0.02 2 73 41 8 ILE HG13 H 0.795 0.02 2 74 41 8 ILE HG2 H 0.382 0.02 1 75 41 8 ILE C C 175.61 0.1 1 76 41 8 ILE CA C 61.45 0.1 1 77 41 8 ILE CB C 40.58 0.1 1 78 41 8 ILE CD1 C 12.83 0.1 1 79 41 8 ILE CG1 C 29.17 0.1 1 80 41 8 ILE CG2 C 16.55 0.1 1 81 41 8 ILE N N 122.69 0.2 1 82 42 9 ASP H H 9.543 0.02 1 83 42 9 ASP HA H 4.493 0.02 1 84 42 9 ASP HB2 H 3.555 0.02 2 85 42 9 ASP HB3 H 2.268 0.02 2 86 42 9 ASP C C 175.63 0.1 1 87 42 9 ASP CA C 55.34 0.1 1 88 42 9 ASP CB C 42.25 0.1 1 89 42 9 ASP N N 128.22 0.2 1 90 43 10 GLY H H 8.683 0.02 1 91 43 10 GLY HA2 H 4.104 0.02 2 92 43 10 GLY HA3 H 3.696 0.02 2 93 43 10 GLY C C 173.80 0.1 1 94 43 10 GLY CA C 45.51 0.1 1 95 43 10 GLY N N 103.37 0.2 1 96 44 11 LYS H H 7.652 0.02 1 97 44 11 LYS HA H 4.744 0.02 1 98 44 11 LYS HB2 H 1.667 0.02 2 99 44 11 LYS HB3 H 1.667 0.02 2 100 44 11 LYS HD2 H 1.829 0.02 2 101 44 11 LYS HD3 H 1.511 0.02 2 102 44 11 LYS HE2 H 2.993 0.02 2 103 44 11 LYS HE3 H 2.993 0.02 2 104 44 11 LYS HG2 H 1.534 0.02 2 105 44 11 LYS HG3 H 1.487 0.02 2 106 44 11 LYS C C 173.46 0.1 1 107 44 11 LYS CA C 54.01 0.1 1 108 44 11 LYS CB C 35.94 0.1 1 109 44 11 LYS CD C 29.04 0.1 1 110 44 11 LYS CE C 42.88 0.1 1 111 44 11 LYS CG C 25.05 0.1 1 112 44 11 LYS N N 119.60 0.2 1 113 45 12 GLN H H 8.064 0.02 1 114 45 12 GLN HA H 5.145 0.02 1 115 45 12 GLN HB2 H 1.791 0.02 2 116 45 12 GLN HB3 H 1.791 0.02 2 117 45 12 GLN HE21 H 7.270 0.02 1 118 45 12 GLN HE22 H 6.495 0.02 1 119 45 12 GLN HG2 H 2.276 0.02 2 120 45 12 GLN HG3 H 2.093 0.02 2 121 45 12 GLN C C 174.78 0.1 1 122 45 12 GLN CA C 55.21 0.1 1 123 45 12 GLN CB C 30.90 0.1 1 124 45 12 GLN CG C 34.87 0.1 1 125 45 12 GLN N N 117.92 0.2 1 126 45 12 GLN NE2 N 110.20 0.2 1 127 46 13 TRP H H 8.728 0.02 1 128 46 13 TRP HA H 5.118 0.02 1 129 46 13 TRP HB2 H 3.218 0.02 2 130 46 13 TRP HB3 H 2.549 0.02 2 131 46 13 TRP HD1 H 7.177 0.02 1 132 46 13 TRP HE1 H 9.816 0.02 1 133 46 13 TRP C C 174.68 0.1 1 134 46 13 TRP CA C 55.47 0.1 1 135 46 13 TRP CB C 31.45 0.1 1 136 46 13 TRP N N 121.58 0.2 1 137 46 13 TRP NE1 N 130.84 0.2 1 138 47 14 ARG H H 9.557 0.02 1 139 47 14 ARG HA H 5.752 0.02 1 140 47 14 ARG HB2 H 1.793 0.02 2 141 47 14 ARG HB3 H 1.793 0.02 2 142 47 14 ARG HD2 H 3.195 0.02 2 143 47 14 ARG HD3 H 3.195 0.02 2 144 47 14 ARG HG2 H 1.685 0.02 2 145 47 14 ARG HG3 H 1.685 0.02 2 146 47 14 ARG C C 175.98 0.1 1 147 47 14 ARG CA C 53.88 0.1 1 148 47 14 ARG CB C 33.80 0.1 1 149 47 14 ARG CD C 43.49 0.1 1 150 47 14 ARG CG C 27.31 0.1 1 151 47 14 ARG N N 121.61 0.2 1 152 48 15 LEU H H 8.992 0.02 1 153 48 15 LEU HA H 3.497 0.02 1 154 48 15 LEU HB2 H 1.585 0.02 2 155 48 15 LEU HB3 H 1.199 0.02 2 156 48 15 LEU HD1 H -0.076 0.02 2 157 48 15 LEU HD2 H -0.138 0.02 2 158 48 15 LEU HG H 0.871 0.02 1 159 48 15 LEU C C 176.52 0.1 1 160 48 15 LEU CA C 56.93 0.1 1 161 48 15 LEU CB C 42.96 0.1 1 162 48 15 LEU CD1 C 22.40 0.1 2 163 48 15 LEU CD2 C 25.45 0.1 2 164 48 15 LEU CG C 25.98 0.1 1 165 48 15 LEU N N 129.23 0.2 1 166 49 16 ILE H H 8.862 0.02 1 167 49 16 ILE HA H 4.841 0.02 1 168 49 16 ILE HB H 2.093 0.02 1 169 49 16 ILE HD1 H 1.103 0.02 1 170 49 16 ILE HG12 H 1.539 0.02 2 171 49 16 ILE HG13 H 1.165 0.02 2 172 49 16 ILE HG2 H 1.120 0.02 1 173 49 16 ILE C C 175.53 0.1 1 174 49 16 ILE CA C 61.18 0.1 1 175 49 16 ILE CB C 41.23 0.1 1 176 49 16 ILE CD1 C 14.29 0.1 1 177 49 16 ILE CG1 C 27.18 0.1 1 178 49 16 ILE CG2 C 19.08 0.1 1 179 49 16 ILE N N 120.70 0.2 1 180 50 17 TRP H H 7.817 0.02 1 181 50 17 TRP HA H 4.616 0.02 1 182 50 17 TRP HB2 H 3.683 0.02 2 183 50 17 TRP HB3 H 2.843 0.02 2 184 50 17 TRP HD1 H 7.126 0.02 1 185 50 17 TRP HE1 H 6.062 0.02 1 186 50 17 TRP C C 172.79 0.1 1 187 50 17 TRP CA C 58.92 0.1 1 188 50 17 TRP CB C 31.27 0.1 1 189 50 17 TRP N N 122.46 0.2 1 190 50 17 TRP NE1 N 125.15 0.2 1 191 51 18 HIS H H 7.017 0.02 1 192 51 18 HIS HA H 4.110 0.02 1 193 51 18 HIS HB2 H 3.488 0.02 2 194 51 18 HIS HB3 H 2.890 0.02 2 195 51 18 HIS C C 170.11 0.1 1 196 51 18 HIS CA C 53.74 0.1 1 197 51 18 HIS CB C 32.36 0.1 1 198 51 18 HIS N N 119.54 0.2 1 199 52 19 ASP H H 8.050 0.02 1 200 52 19 ASP HA H 4.152 0.02 1 201 52 19 ASP HB2 H 2.327 0.02 2 202 52 19 ASP HB3 H 2.041 0.02 2 203 52 19 ASP C C 175.18 0.1 1 204 52 19 ASP CA C 54.14 0.1 1 205 52 19 ASP CB C 43.15 0.1 1 206 52 19 ASP N N 116.67 0.2 1 207 53 20 GLU HA H 4.402 0.02 1 208 53 20 GLU HB2 H 2.545 0.02 2 209 53 20 GLU HB3 H 2.545 0.02 2 210 53 20 GLU HG2 H 2.393 0.02 2 211 53 20 GLU HG3 H 2.295 0.02 2 212 53 20 GLU C C 177.17 0.1 1 213 53 20 GLU CA C 54.14 0.1 1 214 53 20 GLU CB C 28.87 0.1 1 215 53 20 GLU CG C 34.78 0.1 1 216 54 21 PHE H H 9.076 0.02 1 217 54 21 PHE HA H 4.134 0.02 9 218 54 21 PHE HB2 H 2.944 0.02 2 219 54 21 PHE HB3 H 2.898 0.02 2 220 54 21 PHE C C 172.45 0.1 1 221 54 21 PHE CA C 59.85 0.1 1 222 54 21 PHE CB C 35.39 0.1 1 223 54 21 PHE N N 120.16 0.2 1 224 55 22 GLU H H 7.638 0.02 1 225 55 22 GLU HA H 4.358 0.02 9 226 55 22 GLU HB2 H 2.130 0.02 2 227 55 22 GLU HB3 H 1.778 0.02 9 228 55 22 GLU HG2 H 2.263 0.02 2 229 55 22 GLU HG3 H 2.076 0.02 2 230 55 22 GLU C C 177.37 0.1 1 231 55 22 GLU CA C 55.74 0.1 1 232 55 22 GLU CB C 30.64 0.1 1 233 55 22 GLU CG C 36.59 0.1 1 234 55 22 GLU N N 112.31 0.2 1 235 56 23 GLY H H 7.865 0.02 1 236 56 23 GLY HA2 H 4.159 0.02 2 237 56 23 GLY HA3 H 4.121 0.02 2 238 56 23 GLY C C 173.02 0.1 1 239 56 23 GLY CA C 44.71 0.1 1 240 56 23 GLY N N 107.61 0.2 1 241 57 24 SER HA H 4.617 0.02 1 242 57 24 SER HB2 H 4.011 0.02 2 243 57 24 SER HB3 H 3.891 0.02 2 244 57 24 SER C C 173.78 0.1 1 245 57 24 SER CA C 58.79 0.1 1 246 57 24 SER CB C 64.64 0.1 1 247 58 25 GLU H H 7.650 0.02 1 248 58 25 GLU HA H 4.745 0.02 1 249 58 25 GLU HB2 H 2.180 0.02 2 250 58 25 GLU HB3 H 1.977 0.02 2 251 58 25 GLU HG2 H 2.245 0.02 2 252 58 25 GLU HG3 H 2.191 0.02 2 253 58 25 GLU C C 175.37 0.1 1 254 58 25 GLU CA C 54.41 0.1 1 255 58 25 GLU CB C 33.16 0.1 1 256 58 25 GLU CG C 35.39 0.1 1 257 58 25 GLU N N 118.11 0.2 1 258 59 26 VAL H H 8.580 0.02 1 259 59 26 VAL HA H 3.902 0.02 1 260 59 26 VAL HB H 1.994 0.02 1 261 59 26 VAL HG1 H 0.888 0.02 2 262 59 26 VAL HG2 H 0.735 0.02 2 263 59 26 VAL C C 176.36 0.1 1 264 59 26 VAL CA C 63.71 0.1 1 265 59 26 VAL CB C 32.15 0.1 1 266 59 26 VAL CG1 C 22.80 0.1 2 267 59 26 VAL CG2 C 21.33 0.1 2 268 59 26 VAL N N 124.30 0.2 1 269 60 27 ASN H H 10.293 0.02 1 270 60 27 ASN HA H 4.636 0.02 1 271 60 27 ASN HB2 H 3.207 0.02 2 272 60 27 ASN HB3 H 3.056 0.02 2 273 60 27 ASN HD21 H 7.129 0.02 1 274 60 27 ASN HD22 H 6.622 0.02 1 275 60 27 ASN C C 177.20 0.1 1 276 60 27 ASN CA C 54.01 0.1 1 277 60 27 ASN CB C 37.97 0.1 1 278 60 27 ASN N N 127.20 0.2 1 279 60 27 ASN ND2 N 110.49 0.2 1 280 61 28 LYS H H 8.647 0.02 1 281 61 28 LYS HA H 4.764 0.02 1 282 61 28 LYS HB2 H 2.127 0.02 2 283 61 28 LYS HB3 H 1.944 0.02 2 284 61 28 LYS HD2 H 1.882 0.02 2 285 61 28 LYS HD3 H 1.882 0.02 2 286 61 28 LYS HE2 H 3.212 0.02 2 287 61 28 LYS HE3 H 3.186 0.02 2 288 61 28 LYS HG2 H 1.739 0.02 2 289 61 28 LYS HG3 H 1.652 0.02 2 290 61 28 LYS C C 177.54 0.1 1 291 61 28 LYS CA C 57.86 0.1 1 292 61 28 LYS CB C 31.80 0.1 1 293 61 28 LYS CD C 29.16 0.1 1 294 61 28 LYS CE C 42.22 0.1 1 295 61 28 LYS CG C 25.19 0.1 1 296 61 28 LYS N N 128.80 0.2 1 297 62 29 GLU H H 8.417 0.02 1 298 62 29 GLU HA H 4.101 0.02 1 299 62 29 GLU HB2 H 1.698 0.02 2 300 62 29 GLU HB3 H 1.584 0.02 2 301 62 29 GLU HG2 H 2.368 0.02 2 302 62 29 GLU HG3 H 2.200 0.02 2 303 62 29 GLU C C 176.85 0.1 1 304 62 29 GLU CA C 58.26 0.1 1 305 62 29 GLU CB C 29.03 0.1 1 306 62 29 GLU CG C 37.01 0.1 1 307 62 29 GLU N N 118.66 0.2 1 308 63 30 TYR H H 7.073 0.02 1 309 63 30 TYR HA H 4.692 0.02 1 310 63 30 TYR HB2 H 2.772 0.02 2 311 63 30 TYR HB3 H 2.535 0.02 2 312 63 30 TYR C C 172.91 0.1 1 313 63 30 TYR CA C 54.81 0.1 1 314 63 30 TYR CB C 40.05 0.1 1 315 63 30 TYR N N 113.52 0.2 1 316 64 31 TRP H H 7.250 0.02 1 317 64 31 TRP HA H 5.083 0.02 1 318 64 31 TRP HB2 H 2.747 0.02 2 319 64 31 TRP HB3 H 2.616 0.02 2 320 64 31 TRP HD1 H 7.126 0.02 1 321 64 31 TRP HE1 H 11.914 0.02 1 322 64 31 TRP C C 176.87 0.1 1 323 64 31 TRP CA C 55.34 0.1 1 324 64 31 TRP CB C 33.82 0.1 1 325 64 31 TRP N N 112.61 0.2 1 326 64 31 TRP NE1 N 130.95 0.2 1 327 65 32 THR H H 8.996 0.02 1 328 65 32 THR HA H 4.479 0.02 1 329 65 32 THR HB H 3.666 0.02 1 330 65 32 THR HG2 H 1.235 0.02 1 331 65 32 THR C C 173.29 0.1 1 332 65 32 THR CA C 61.18 0.1 1 333 65 32 THR CB C 71.14 0.1 1 334 65 32 THR CG2 C 22.06 0.1 1 335 65 32 THR N N 117.28 0.2 1 336 66 33 PHE H H 8.660 0.02 1 337 66 33 PHE HA H 4.972 0.02 1 338 66 33 PHE HB2 H 3.108 0.02 2 339 66 33 PHE HB3 H 2.926 0.02 2 340 66 33 PHE C C 176.96 0.1 1 341 66 33 PHE CA C 58.53 0.1 1 342 66 33 PHE CB C 39.82 0.1 1 343 66 33 PHE N N 124.12 0.2 1 344 67 34 GLU H H 8.669 0.02 1 345 67 34 GLU HA H 4.776 0.02 1 346 67 34 GLU HB2 H 1.929 0.02 2 347 67 34 GLU HB3 H 1.283 0.02 2 348 67 34 GLU HG2 H 1.869 0.02 2 349 67 34 GLU HG3 H 1.747 0.02 2 350 67 34 GLU C C 175.48 0.1 1 351 67 34 GLU CA C 55.34 0.1 1 352 67 34 GLU CB C 31.44 0.1 1 353 67 34 GLU CG C 36.49 0.1 1 354 67 34 GLU N N 122.09 0.2 1 355 68 35 LYS H H 8.458 0.02 1 356 68 35 LYS HA H 4.852 0.02 1 357 68 35 LYS HB2 H 1.887 0.02 2 358 68 35 LYS HB3 H 1.762 0.02 2 359 68 35 LYS HD2 H 1.803 0.02 2 360 68 35 LYS HD3 H 1.803 0.02 2 361 68 35 LYS HE2 H 3.129 0.02 2 362 68 35 LYS HE3 H 3.129 0.02 2 363 68 35 LYS HG2 H 1.562 0.02 2 364 68 35 LYS HG3 H 1.374 0.02 2 365 68 35 LYS C C 176.99 0.1 1 366 68 35 LYS CA C 55.07 0.1 1 367 68 35 LYS CB C 36.21 0.1 1 368 68 35 LYS CD C 29.27 0.1 1 369 68 35 LYS CE C 42.21 0.1 1 370 68 35 LYS CG C 25.03 0.1 1 371 68 35 LYS N N 121.31 0.2 1 372 69 36 GLY H H 8.945 0.02 1 373 69 36 GLY HA2 H 3.996 0.02 2 374 69 36 GLY HA3 H 1.784 0.02 2 375 69 36 GLY C C 175.06 0.1 1 376 69 36 GLY CA C 44.58 0.1 1 377 69 36 GLY N N 110.79 0.2 1 378 70 37 ASN H H 10.096 0.02 1 379 70 37 ASN HA H 5.015 0.02 1 380 70 37 ASN HB2 H 2.199 0.02 2 381 70 37 ASN HB3 H 1.570 0.02 2 382 70 37 ASN HD21 H 8.158 0.02 1 383 70 37 ASN HD22 H 6.449 0.02 1 384 70 37 ASN C C 172.01 0.1 1 385 70 37 ASN CA C 53.61 0.1 1 386 70 37 ASN CB C 43.82 0.1 1 387 70 37 ASN N N 123.29 0.2 1 388 70 37 ASN ND2 N 108.91 0.2 1 389 71 38 GLY H H 8.247 0.02 1 390 71 38 GLY HA2 H 3.468 0.02 2 391 71 38 GLY HA3 H 1.386 0.02 2 392 71 38 GLY C C 177.04 0.1 1 393 71 38 GLY CA C 43.52 0.1 1 394 71 38 GLY N N 108.63 0.2 1 395 72 39 ILE H H 7.270 0.02 1 396 72 39 ILE HA H 3.288 0.02 1 397 72 39 ILE HB H 1.721 0.02 1 398 72 39 ILE HD1 H 1.135 0.02 1 399 72 39 ILE HG12 H 1.552 0.02 2 400 72 39 ILE HG13 H 1.327 0.02 2 401 72 39 ILE HG2 H 0.951 0.02 1 402 72 39 ILE C C 178.10 0.1 1 403 72 39 ILE CA C 64.77 0.1 1 404 72 39 ILE CB C 37.63 0.1 1 405 72 39 ILE CD1 C 13.90 0.1 1 406 72 39 ILE CG1 C 30.90 0.1 1 407 72 39 ILE CG2 C 17.62 0.1 1 408 72 39 ILE N N 122.75 0.2 1 409 73 40 ALA H H 7.967 0.02 1 410 73 40 ALA HA H 3.966 0.02 1 411 73 40 ALA HB H 1.072 0.02 1 412 73 40 ALA C C 177.65 0.1 1 413 73 40 ALA CA C 54.54 0.1 1 414 73 40 ALA CB C 18.01 0.1 1 415 73 40 ALA N N 122.62 0.2 1 416 74 41 TYR H H 7.055 0.02 1 417 74 41 TYR HA H 4.623 0.02 1 418 74 41 TYR HB2 H 3.425 0.02 2 419 74 41 TYR HB3 H 2.425 0.02 2 420 74 41 TYR C C 175.70 0.1 1 421 74 41 TYR CA C 56.53 0.1 1 422 74 41 TYR CB C 39.14 0.1 1 423 74 41 TYR N N 113.63 0.2 1 424 75 42 GLY H H 7.814 0.02 1 425 75 42 GLY HA2 H 4.173 0.02 2 426 75 42 GLY HA3 H 3.789 0.02 2 427 75 42 GLY C C 173.64 0.1 1 428 75 42 GLY CA C 45.51 0.1 1 429 75 42 GLY N N 107.31 0.2 1 430 76 43 ILE H H 7.432 0.02 1 431 76 43 ILE HA H 4.620 0.02 1 432 76 43 ILE HB H 1.430 0.02 1 433 76 43 ILE HD1 H 0.815 0.02 1 434 76 43 ILE HG12 H 1.592 0.02 2 435 76 43 ILE HG13 H 0.807 0.02 9 436 76 43 ILE HG2 H 0.803 0.02 1 437 76 43 ILE C C 171.26 0.1 1 438 76 43 ILE CA C 56.80 0.1 1 439 76 43 ILE CB C 40.14 0.1 1 440 76 43 ILE CD1 C 14.03 0.1 1 441 76 43 ILE CG1 C 26.25 0.1 1 442 76 43 ILE CG2 C 18.55 0.1 1 443 76 43 ILE N N 114.69 0.2 1 444 77 44 PRO HA H 3.844 0.02 1 445 77 44 PRO HB2 H 2.267 0.02 2 446 77 44 PRO HB3 H 1.907 0.02 2 447 77 44 PRO HD2 H 3.594 0.02 2 448 77 44 PRO HD3 H 3.315 0.02 2 449 77 44 PRO HG2 H 2.104 0.02 2 450 77 44 PRO HG3 H 1.847 0.02 2 451 77 44 PRO C C 179.14 0.1 1 452 77 44 PRO CA C 63.71 0.1 1 453 77 44 PRO CB C 31.54 0.1 1 454 77 44 PRO CD C 49.78 0.1 1 455 77 44 PRO CG C 27.85 0.1 1 456 78 45 GLY H H 8.223 0.02 1 457 78 45 GLY HA2 H 4.201 0.02 2 458 78 45 GLY HA3 H 3.953 0.02 2 459 78 45 GLY C C 174.62 0.1 1 460 78 45 GLY CA C 48.30 0.1 1 461 78 45 GLY N N 118.49 0.2 1 462 79 46 TRP H H 8.331 0.02 1 463 79 46 TRP HA H 3.954 0.02 1 464 79 46 TRP HB2 H 3.517 0.02 2 465 79 46 TRP HB3 H 3.201 0.02 2 466 79 46 TRP C C 174.69 0.1 1 467 79 46 TRP CA C 59.59 0.1 1 468 79 46 TRP CB C 26.65 0.1 1 469 79 46 TRP N N 118.84 0.2 1 470 80 47 GLY H H 7.476 0.02 1 471 80 47 GLY HA2 H 4.114 0.02 2 472 80 47 GLY HA3 H 3.685 0.02 2 473 80 47 GLY C C 173.74 0.1 1 474 80 47 GLY CA C 45.11 0.1 1 475 80 47 GLY N N 105.16 0.2 1 476 81 48 ASN H H 7.867 0.02 1 477 81 48 ASN HA H 5.250 0.02 1 478 81 48 ASN HB2 H 3.517 0.02 2 479 81 48 ASN HB3 H 3.127 0.02 2 480 81 48 ASN HD21 H 7.904 0.02 1 481 81 48 ASN HD22 H 6.734 0.02 1 482 81 48 ASN C C 174.78 0.1 1 483 81 48 ASN CA C 52.68 0.1 1 484 81 48 ASN CB C 42.55 0.1 1 485 81 48 ASN N N 117.19 0.2 1 486 81 48 ASN ND2 N 117.39 0.2 1 487 82 49 GLY H H 8.856 0.02 1 488 82 49 GLY HA2 H 3.702 0.02 2 489 82 49 GLY HA3 H 3.273 0.02 2 490 82 49 GLY C C 174.12 0.1 1 491 82 49 GLY CA C 46.17 0.1 1 492 82 49 GLY N N 111.15 0.2 1 493 83 50 GLU H H 8.309 0.02 1 494 83 50 GLU HA H 3.847 0.02 1 495 83 50 GLU HB2 H 3.042 0.02 2 496 83 50 GLU HB3 H 1.571 0.02 2 497 83 50 GLU HG2 H 2.826 0.02 2 498 83 50 GLU HG3 H 2.355 0.02 2 499 83 50 GLU C C 178.65 0.1 1 500 83 50 GLU CA C 57.33 0.1 1 501 83 50 GLU CB C 29.36 0.1 1 502 83 50 GLU CG C 36.70 0.1 1 503 83 50 GLU N N 118.93 0.2 1 504 84 51 LEU H H 8.700 0.02 1 505 84 51 LEU HA H 4.642 0.02 1 506 84 51 LEU HB2 H 1.919 0.02 2 507 84 51 LEU HB3 H 1.678 0.02 2 508 84 51 LEU HD1 H 0.966 0.02 2 509 84 51 LEU HD2 H 0.966 0.02 2 510 84 51 LEU HG H 1.884 0.02 1 511 84 51 LEU C C 177.69 0.1 1 512 84 51 LEU CA C 54.94 0.1 1 513 84 51 LEU CB C 43.92 0.1 1 514 84 51 LEU CD1 C 26.12 0.1 2 515 84 51 LEU CD2 C 26.12 0.1 2 516 84 51 LEU CG C 27.04 0.1 1 517 84 51 LEU N N 117.05 0.2 1 518 85 52 GLU H H 7.422 0.02 1 519 85 52 GLU HA H 4.738 0.02 1 520 85 52 GLU HB2 H 2.024 0.02 2 521 85 52 GLU HB3 H 1.282 0.02 2 522 85 52 GLU HG2 H 1.696 0.02 2 523 85 52 GLU HG3 H 1.088 0.02 2 524 85 52 GLU C C 171.41 0.1 1 525 85 52 GLU CA C 56.00 0.1 1 526 85 52 GLU CB C 28.24 0.1 1 527 85 52 GLU CG C 31.82 0.1 1 528 85 52 GLU N N 113.93 0.2 1 529 86 53 TYR H H 8.510 0.02 1 530 86 53 TYR HA H 3.888 0.02 1 531 86 53 TYR HB2 H 3.077 0.02 2 532 86 53 TYR HB3 H 2.110 0.02 2 533 86 53 TYR C C 175.43 0.1 1 534 86 53 TYR CA C 56.40 0.1 1 535 86 53 TYR CB C 40.18 0.1 1 536 86 53 TYR N N 122.77 0.2 1 537 87 54 TYR H H 8.164 0.02 1 538 87 54 TYR HA H 4.992 0.02 1 539 87 54 TYR HB2 H 3.487 0.02 2 540 87 54 TYR HB3 H 2.803 0.02 2 541 87 54 TYR C C 176.93 0.1 1 542 87 54 TYR CA C 58.26 0.1 1 543 87 54 TYR CB C 38.07 0.1 1 544 87 54 TYR N N 126.26 0.2 1 545 88 55 THR H H 9.466 0.02 1 546 88 55 THR HA H 5.238 0.02 1 547 88 55 THR HB H 4.680 0.02 1 548 88 55 THR HG2 H 1.612 0.02 1 549 88 55 THR C C 176.07 0.1 1 550 88 55 THR CA C 60.52 0.1 1 551 88 55 THR CB C 72.21 0.1 1 552 88 55 THR CG2 C 20.67 0.1 1 553 88 55 THR N N 110.82 0.2 1 554 89 56 GLU HA H 3.630 0.02 1 555 89 56 GLU HB2 H 1.538 0.02 2 556 89 56 GLU HB3 H 1.538 0.02 2 557 89 56 GLU HG2 H 1.865 0.02 2 558 89 56 GLU HG3 H 1.865 0.02 2 559 89 56 GLU C C 175.79 0.1 1 560 89 56 GLU CA C 56.93 0.1 1 561 89 56 GLU CB C 29.33 0.1 1 562 89 56 GLU CG C 35.93 0.1 1 563 90 57 ASN H H 8.325 0.02 1 564 90 57 ASN HA H 4.824 0.02 1 565 90 57 ASN HB2 H 2.947 0.02 2 566 90 57 ASN HB3 H 2.673 0.02 2 567 90 57 ASN C C 175.10 0.1 1 568 90 57 ASN CA C 54.14 0.1 1 569 90 57 ASN CB C 39.46 0.1 1 570 90 57 ASN N N 115.53 0.2 1 571 91 58 ASN H H 6.739 0.02 1 572 91 58 ASN HA H 4.546 0.02 1 573 91 58 ASN HB2 H 3.995 0.02 2 574 91 58 ASN HB3 H 2.657 0.02 2 575 91 58 ASN HD21 H 8.409 0.02 1 576 91 58 ASN HD22 H 7.957 0.02 1 577 91 58 ASN C C 171.61 0.1 1 578 91 58 ASN CA C 54.67 0.1 1 579 91 58 ASN CB C 37.27 0.1 1 580 91 58 ASN N N 118.70 0.2 1 581 91 58 ASN ND2 N 114.37 0.2 1 582 92 59 THR H H 7.085 0.02 1 583 92 59 THR HA H 5.644 0.02 1 584 92 59 THR HB H 3.854 0.02 1 585 92 59 THR HG2 H 1.041 0.02 1 586 92 59 THR C C 173.52 0.1 1 587 92 59 THR CA C 61.05 0.1 1 588 92 59 THR CB C 71.68 0.1 1 589 92 59 THR CG2 C 22.26 0.1 1 590 92 59 THR N N 111.04 0.2 1 591 93 60 TYR H H 8.582 0.02 1 592 93 60 TYR HA H 4.755 0.02 1 593 93 60 TYR HB2 H 3.220 0.02 2 594 93 60 TYR HB3 H 2.888 0.02 2 595 93 60 TYR C C 171.97 0.1 1 596 93 60 TYR CA C 55.87 0.1 1 597 93 60 TYR CB C 39.19 0.1 1 598 93 60 TYR N N 121.10 0.2 1 599 94 61 ILE H H 8.290 0.02 1 600 94 61 ILE HA H 5.073 0.02 1 601 94 61 ILE HB H 1.512 0.02 1 602 94 61 ILE HD1 H 0.598 0.02 1 603 94 61 ILE HG12 H 1.163 0.02 2 604 94 61 ILE HG13 H 0.987 0.02 2 605 94 61 ILE HG2 H 0.779 0.02 1 606 94 61 ILE C C 176.62 0.1 1 607 94 61 ILE CA C 59.19 0.1 1 608 94 61 ILE CB C 39.02 0.1 1 609 94 61 ILE CD1 C 12.97 0.1 1 610 94 61 ILE CG1 C 27.71 0.1 1 611 94 61 ILE CG2 C 17.88 0.1 1 612 94 61 ILE N N 119.45 0.2 1 613 95 62 VAL H H 8.758 0.02 1 614 95 62 VAL HA H 4.515 0.02 1 615 95 62 VAL HB H 2.076 0.02 1 616 95 62 VAL HG1 H 1.026 0.02 2 617 95 62 VAL HG2 H 0.976 0.02 2 618 95 62 VAL C C 174.46 0.1 1 619 95 62 VAL CA C 60.39 0.1 1 620 95 62 VAL CB C 34.61 0.1 1 621 95 62 VAL CG1 C 20.94 0.1 2 622 95 62 VAL CG2 C 20.27 0.1 2 623 95 62 VAL N N 124.30 0.2 1 624 96 63 ASN HA H 4.432 0.02 1 625 96 63 ASN HB2 H 3.104 0.02 2 626 96 63 ASN HB3 H 2.759 0.02 2 627 96 63 ASN C C 174.92 0.1 1 628 96 63 ASN CA C 54.41 0.1 1 629 96 63 ASN CB C 38.14 0.1 1 630 97 64 GLY H H 8.659 0.02 1 631 97 64 GLY HA2 H 4.256 0.02 2 632 97 64 GLY HA3 H 4.144 0.02 2 633 97 64 GLY C C 174.95 0.1 1 634 97 64 GLY CA C 46.44 0.1 1 635 97 64 GLY N N 103.33 0.2 1 636 98 65 THR H H 8.178 0.02 1 637 98 65 THR HA H 5.115 0.02 1 638 98 65 THR HB H 3.766 0.02 1 639 98 65 THR HG2 H 1.035 0.02 1 640 98 65 THR C C 171.20 0.1 1 641 98 65 THR CA C 58.53 0.1 1 642 98 65 THR CB C 71.94 0.1 1 643 98 65 THR CG2 C 21.60 0.1 1 644 98 65 THR N N 112.36 0.2 1 645 99 66 LEU H H 8.469 0.02 1 646 99 66 LEU HA H 4.070 0.02 1 647 99 66 LEU HB2 H 0.648 0.02 2 648 99 66 LEU HB3 H -0.318 0.02 2 649 99 66 LEU HD1 H 0.173 0.02 2 650 99 66 LEU HD2 H -0.050 0.02 2 651 99 66 LEU HG H 0.771 0.02 1 652 99 66 LEU C C 174.25 0.1 1 653 99 66 LEU CA C 54.14 0.1 1 654 99 66 LEU CB C 41.48 0.1 1 655 99 66 LEU CD1 C 24.66 0.1 2 656 99 66 LEU CD2 C 25.72 0.1 2 657 99 66 LEU CG C 26.12 0.1 1 658 99 66 LEU N N 124.75 0.2 1 659 100 67 VAL H H 8.934 0.02 1 660 100 67 VAL HA H 4.485 0.02 1 661 100 67 VAL HB H 0.893 0.02 1 662 100 67 VAL HG1 H 0.632 0.02 2 663 100 67 VAL HG2 H 0.507 0.02 2 664 100 67 VAL C C 174.69 0.1 1 665 100 67 VAL CA C 61.18 0.1 1 666 100 67 VAL CB C 32.74 0.1 1 667 100 67 VAL CG1 C 21.73 0.1 2 668 100 67 VAL CG2 C 21.73 0.1 2 669 100 67 VAL N N 128.29 0.2 1 670 101 68 ILE H H 8.444 0.02 1 671 101 68 ILE HA H 4.288 0.02 1 672 101 68 ILE HB H 1.527 0.02 1 673 101 68 ILE HD1 H 0.457 0.02 9 674 101 68 ILE HG12 H 1.273 0.02 2 675 101 68 ILE HG13 H 0.805 0.02 2 676 101 68 ILE HG2 H 0.890 0.02 1 677 101 68 ILE C C 174.54 0.1 1 678 101 68 ILE CA C 61.18 0.1 1 679 101 68 ILE CB C 40.23 0.1 1 680 101 68 ILE CD1 C 13.50 0.1 1 681 101 68 ILE CG1 C 26.65 0.1 1 682 101 68 ILE CG2 C 19.08 0.1 1 683 101 68 ILE N N 125.30 0.2 1 684 102 69 GLU H H 8.829 0.02 1 685 102 69 GLU HA H 5.367 0.02 1 686 102 69 GLU HB2 H 2.143 0.02 2 687 102 69 GLU HB3 H 1.773 0.02 2 688 102 69 GLU HG2 H 2.070 0.02 2 689 102 69 GLU HG3 H 1.997 0.02 2 690 102 69 GLU C C 175.35 0.1 1 691 102 69 GLU CA C 54.01 0.1 1 692 102 69 GLU CB C 33.95 0.1 1 693 102 69 GLU CG C 39.18 0.1 1 694 102 69 GLU N N 127.32 0.2 1 695 103 70 ALA H H 9.379 0.02 1 696 103 70 ALA HA H 5.914 0.02 1 697 103 70 ALA HB H 1.521 0.02 1 698 103 70 ALA C C 177.78 0.1 1 699 103 70 ALA CA C 50.42 0.1 1 700 103 70 ALA CB C 19.74 0.1 1 701 103 70 ALA N N 128.57 0.2 1 702 104 71 ARG H H 8.986 0.02 1 703 104 71 ARG HA H 4.888 0.02 1 704 104 71 ARG HB2 H 1.761 0.02 2 705 104 71 ARG HB3 H 1.669 0.02 2 706 104 71 ARG HD2 H 3.202 0.02 2 707 104 71 ARG HD3 H 3.006 0.02 2 708 104 71 ARG HG2 H 1.572 0.02 2 709 104 71 ARG HG3 H 1.475 0.02 2 710 104 71 ARG C C 174.37 0.1 1 711 104 71 ARG CA C 54.54 0.1 1 712 104 71 ARG CB C 34.32 0.1 1 713 104 71 ARG CD C 43.89 0.1 1 714 104 71 ARG CG C 28.83 0.1 1 715 104 71 ARG N N 119.61 0.2 1 716 105 72 LYS H H 8.383 0.02 1 717 105 72 LYS HA H 4.436 0.02 1 718 105 72 LYS HB2 H 1.617 0.02 2 719 105 72 LYS HB3 H 0.915 0.02 2 720 105 72 LYS HD2 H 1.547 0.02 2 721 105 72 LYS HD3 H 1.547 0.02 2 722 105 72 LYS HE2 H 2.850 0.02 2 723 105 72 LYS HE3 H 2.850 0.02 2 724 105 72 LYS HG2 H 0.916 0.02 2 725 105 72 LYS HG3 H 0.798 0.02 2 726 105 72 LYS C C 174.36 0.1 1 727 105 72 LYS CA C 55.60 0.1 1 728 105 72 LYS CB C 31.41 0.1 1 729 105 72 LYS CD C 29.57 0.1 1 730 105 72 LYS CE C 42.10 0.1 1 731 105 72 LYS CG C 24.66 0.1 1 732 105 72 LYS N N 122.80 0.2 1 733 106 73 GLU H H 7.657 0.02 1 734 106 73 GLU HA H 4.176 0.02 1 735 106 73 GLU HB2 H 1.916 0.02 2 736 106 73 GLU HB3 H 1.711 0.02 2 737 106 73 GLU HG2 H 1.932 0.02 2 738 106 73 GLU HG3 H 1.904 0.02 2 739 106 73 GLU C C 171.13 0.1 1 740 106 73 GLU CA C 54.94 0.1 1 741 106 73 GLU CB C 31.46 0.1 1 742 106 73 GLU CG C 34.76 0.1 1 743 106 73 GLU N N 128.32 0.2 1 744 107 74 ILE H H 7.461 0.02 1 745 107 74 ILE HA H 4.657 0.02 1 746 107 74 ILE HB H 1.556 0.02 1 747 107 74 ILE HD1 H 0.699 0.02 1 748 107 74 ILE HG12 H 1.462 0.02 2 749 107 74 ILE HG13 H 0.931 0.02 2 750 107 74 ILE HG2 H 0.679 0.02 1 751 107 74 ILE C C 176.41 0.1 1 752 107 74 ILE CA C 60.65 0.1 1 753 107 74 ILE CB C 37.95 0.1 1 754 107 74 ILE CD1 C 12.83 0.1 1 755 107 74 ILE CG1 C 28.38 0.1 1 756 107 74 ILE CG2 C 16.95 0.1 1 757 107 74 ILE N N 119.83 0.2 1 758 108 75 ILE H H 8.639 0.02 1 759 108 75 ILE HA H 4.422 0.02 1 760 108 75 ILE HB H 1.459 0.02 1 761 108 75 ILE HD1 H 0.573 0.02 1 762 108 75 ILE HG12 H 1.189 0.02 2 763 108 75 ILE HG13 H 0.745 0.02 2 764 108 75 ILE HG2 H 0.428 0.02 1 765 108 75 ILE C C 173.16 0.1 1 766 108 75 ILE CA C 58.66 0.1 1 767 108 75 ILE CB C 41.02 0.1 1 768 108 75 ILE CD1 C 12.69 0.1 1 769 108 75 ILE CG1 C 27.99 0.1 1 770 108 75 ILE CG2 C 16.15 0.1 1 771 108 75 ILE N N 128.30 0.2 1 772 109 76 THR H H 8.140 0.02 1 773 109 76 THR HA H 4.864 0.02 1 774 109 76 THR HB H 3.787 0.02 1 775 109 76 THR HG2 H 0.976 0.02 1 776 109 76 THR C C 172.89 0.1 1 777 109 76 THR CA C 60.92 0.1 1 778 109 76 THR CB C 70.48 0.1 1 779 109 76 THR CG2 C 21.20 0.1 1 780 109 76 THR N N 120.56 0.2 1 781 110 77 ASP H H 8.754 0.02 1 782 110 77 ASP HA H 5.213 0.02 1 783 110 77 ASP HB2 H 3.084 0.02 2 784 110 77 ASP HB3 H 2.608 0.02 2 785 110 77 ASP C C 175.57 0.1 1 786 110 77 ASP CA C 50.02 0.1 1 787 110 77 ASP CB C 44.39 0.1 1 788 110 77 ASP N N 127.16 0.2 1 789 111 78 PRO HA H 4.327 0.02 1 790 111 78 PRO HB2 H 2.380 0.02 2 791 111 78 PRO HB3 H 1.972 0.02 2 792 111 78 PRO HD2 H 3.962 0.02 2 793 111 78 PRO HD3 H 3.825 0.02 2 794 111 78 PRO HG2 H 2.046 0.02 2 795 111 78 PRO HG3 H 2.046 0.02 2 796 111 78 PRO C C 176.64 0.1 1 797 111 78 PRO CA C 64.77 0.1 1 798 111 78 PRO CB C 32.25 0.1 1 799 111 78 PRO CD C 51.36 0.1 1 800 111 78 PRO CG C 27.03 0.1 1 801 112 79 ASN H H 8.558 0.02 1 802 112 79 ASN HA H 4.807 0.02 1 803 112 79 ASN HB2 H 2.850 0.02 2 804 112 79 ASN HB3 H 2.850 0.02 2 805 112 79 ASN C C 175.51 0.1 1 806 112 79 ASN CA C 54.28 0.1 1 807 112 79 ASN CB C 40.12 0.1 1 808 112 79 ASN N N 113.52 0.2 1 809 113 80 GLU H H 8.257 0.02 1 810 113 80 GLU HA H 4.622 0.02 1 811 113 80 GLU HB2 H 2.842 0.02 2 812 113 80 GLU HB3 H 2.049 0.02 2 813 113 80 GLU HG2 H 2.576 0.02 2 814 113 80 GLU HG3 H 1.993 0.02 2 815 113 80 GLU C C 174.66 0.1 1 816 113 80 GLU CA C 59.19 0.1 1 817 113 80 GLU CB C 33.43 0.1 1 818 113 80 GLU CG C 36.77 0.1 1 819 113 80 GLU N N 116.85 0.2 1 820 114 81 GLY H H 8.782 0.02 1 821 114 81 GLY HA2 H 4.437 0.02 2 822 114 81 GLY HA3 H 3.732 0.02 2 823 114 81 GLY C C 171.76 0.1 1 824 114 81 GLY CA C 44.45 0.1 1 825 114 81 GLY N N 106.65 0.2 1 826 115 82 THR H H 7.521 0.02 1 827 115 82 THR HA H 5.132 0.02 1 828 115 82 THR HB H 3.575 0.02 1 829 115 82 THR HG2 H 0.927 0.02 1 830 115 82 THR C C 172.83 0.1 1 831 115 82 THR CA C 61.85 0.1 1 832 115 82 THR CB C 70.61 0.1 1 833 115 82 THR CG2 C 21.20 0.1 1 834 115 82 THR N N 116.75 0.2 1 835 116 83 PHE H H 9.023 0.02 1 836 116 83 PHE HA H 4.693 0.02 1 837 116 83 PHE HB2 H 3.497 0.02 2 838 116 83 PHE HB3 H 2.616 0.02 2 839 116 83 PHE C C 173.68 0.1 1 840 116 83 PHE CA C 57.06 0.1 1 841 116 83 PHE CB C 43.18 0.1 1 842 116 83 PHE N N 125.79 0.2 1 843 117 84 LEU H H 9.092 0.02 1 844 117 84 LEU HA H 4.190 0.02 1 845 117 84 LEU HB2 H 1.091 0.02 2 846 117 84 LEU HB3 H 0.967 0.02 2 847 117 84 LEU HD1 H 0.694 0.02 2 848 117 84 LEU HD2 H 0.582 0.02 2 849 117 84 LEU HG H 1.368 0.02 1 850 117 84 LEU C C 175.16 0.1 1 851 117 84 LEU CA C 54.67 0.1 1 852 117 84 LEU CB C 43.41 0.1 1 853 117 84 LEU CD1 C 24.39 0.1 2 854 117 84 LEU CD2 C 23.19 0.1 2 855 117 84 LEU CG C 27.71 0.1 1 856 117 84 LEU N N 118.45 0.2 1 857 118 85 TYR H H 6.962 0.02 1 858 118 85 TYR HA H 5.688 0.02 1 859 118 85 TYR HB2 H 2.926 0.02 2 860 118 85 TYR HB3 H 2.270 0.02 2 861 118 85 TYR C C 175.32 0.1 1 862 118 85 TYR CA C 55.21 0.1 1 863 118 85 TYR CB C 42.84 0.1 1 864 118 85 TYR N N 110.78 0.2 1 865 119 86 THR H H 9.104 0.02 1 866 119 86 THR HA H 5.575 0.02 1 867 119 86 THR HB H 4.644 0.02 1 868 119 86 THR HG2 H 1.362 0.02 1 869 119 86 THR C C 174.43 0.1 1 870 119 86 THR CA C 58.39 0.1 1 871 119 86 THR CB C 71.28 0.1 1 872 119 86 THR CG2 C 22.40 0.1 1 873 119 86 THR N N 111.55 0.2 1 874 120 87 SER H H 7.669 0.02 1 875 120 87 SER HA H 5.014 0.02 1 876 120 87 SER HB2 H 4.155 0.02 2 877 120 87 SER HB3 H 3.632 0.02 2 878 120 87 SER C C 175.29 0.1 1 879 120 87 SER CA C 55.74 0.1 1 880 120 87 SER CB C 63.04 0.1 1 881 120 87 SER N N 111.45 0.2 1 882 121 88 SER H H 9.128 0.02 1 883 121 88 SER HA H 5.398 0.02 1 884 121 88 SER HB2 H 4.025 0.02 2 885 121 88 SER HB3 H 3.515 0.02 2 886 121 88 SER C C 169.14 0.1 1 887 121 88 SER CA C 59.99 0.1 1 888 121 88 SER CB C 69.15 0.1 1 889 121 88 SER N N 114.84 0.2 1 890 122 89 ARG H H 8.724 0.02 1 891 122 89 ARG HA H 4.338 0.02 1 892 122 89 ARG HB2 H 0.212 0.02 2 893 122 89 ARG HB3 H -0.239 0.02 2 894 122 89 ARG HD2 H 2.120 0.02 2 895 122 89 ARG HD3 H 1.547 0.02 2 896 122 89 ARG HG2 H 0.984 0.02 2 897 122 89 ARG HG3 H 0.675 0.02 2 898 122 89 ARG C C 171.61 0.1 1 899 122 89 ARG CA C 54.41 0.1 1 900 122 89 ARG CB C 31.05 0.1 1 901 122 89 ARG CD C 43.56 0.1 1 902 122 89 ARG CG C 25.86 0.1 1 903 122 89 ARG N N 124.13 0.2 1 904 123 90 LEU H H 9.003 0.02 1 905 123 90 LEU HA H 5.080 0.02 1 906 123 90 LEU HB2 H 1.458 0.02 2 907 123 90 LEU HB3 H 1.124 0.02 2 908 123 90 LEU HD1 H 0.288 0.02 2 909 123 90 LEU HD2 H 0.033 0.02 2 910 123 90 LEU HG H 1.052 0.02 1 911 123 90 LEU C C 174.74 0.1 1 912 123 90 LEU CA C 54.54 0.1 1 913 123 90 LEU CB C 45.77 0.1 1 914 123 90 LEU CD1 C 25.85 0.1 2 915 123 90 LEU CD2 C 25.85 0.1 2 916 123 90 LEU CG C 28.51 0.1 1 917 123 90 LEU N N 127.61 0.2 1 918 124 91 LYS H H 9.102 0.02 1 919 124 91 LYS HA H 6.535 0.02 1 920 124 91 LYS HB2 H 1.879 0.02 2 921 124 91 LYS HB3 H 1.820 0.02 2 922 124 91 LYS HD2 H 1.630 0.02 2 923 124 91 LYS HD3 H 1.447 0.02 2 924 124 91 LYS HE2 H 2.662 0.02 2 925 124 91 LYS HE3 H 2.397 0.02 2 926 124 91 LYS HG2 H 1.440 0.02 2 927 124 91 LYS HG3 H 0.981 0.02 2 928 124 91 LYS C C 177.52 0.1 1 929 124 91 LYS CA C 53.21 0.1 1 930 124 91 LYS CB C 38.60 0.1 1 931 124 91 LYS CD C 29.44 0.1 1 932 124 91 LYS CE C 42.81 0.1 1 933 124 91 LYS CG C 23.99 0.1 1 934 124 91 LYS N N 114.31 0.2 1 935 125 92 THR H H 9.089 0.02 1 936 125 92 THR HA H 5.235 0.02 1 937 125 92 THR HB H 4.421 0.02 1 938 125 92 THR HG2 H 0.216 0.02 1 939 125 92 THR C C 174.61 0.1 1 940 125 92 THR CA C 61.32 0.1 1 941 125 92 THR CB C 69.68 0.1 1 942 125 92 THR CG2 C 20.67 0.1 1 943 125 92 THR N N 108.87 0.2 1 944 126 93 GLU H H 5.674 0.02 1 945 126 93 GLU HA H 2.894 0.02 1 946 126 93 GLU HB2 H 1.035 0.02 2 947 126 93 GLU HB3 H 0.112 0.02 2 948 126 93 GLU HG2 H 1.539 0.02 2 949 126 93 GLU HG3 H 1.539 0.02 2 950 126 93 GLU C C 175.72 0.1 1 951 126 93 GLU CA C 57.60 0.1 1 952 126 93 GLU CB C 30.50 0.1 1 953 126 93 GLU CG C 34.77 0.1 1 954 126 93 GLU N N 121.44 0.2 1 955 127 94 GLY H H 9.360 0.02 1 956 127 94 GLY HA2 H 3.922 0.02 2 957 127 94 GLY HA3 H 3.516 0.02 2 958 127 94 GLY C C 172.79 0.1 1 959 127 94 GLY CA C 45.64 0.1 1 960 127 94 GLY N N 118.37 0.2 1 961 128 95 LYS H H 7.934 0.02 1 962 128 95 LYS HA H 4.337 0.02 1 963 128 95 LYS HB2 H 2.000 0.02 2 964 128 95 LYS HB3 H 1.477 0.02 2 965 128 95 LYS HD2 H 1.221 0.02 2 966 128 95 LYS HD3 H 1.121 0.02 2 967 128 95 LYS HE2 H 2.842 0.02 2 968 128 95 LYS HE3 H 2.694 0.02 2 969 128 95 LYS HG2 H 1.046 0.02 2 970 128 95 LYS HG3 H 1.046 0.02 2 971 128 95 LYS C C 176.24 0.1 1 972 128 95 LYS CA C 58.39 0.1 1 973 128 95 LYS CB C 34.20 0.1 1 974 128 95 LYS CD C 29.05 0.1 1 975 128 95 LYS CE C 42.98 0.1 1 976 128 95 LYS CG C 26.25 0.1 1 977 128 95 LYS N N 120.22 0.2 1 978 129 96 VAL H H 8.079 0.02 1 979 129 96 VAL HA H 3.832 0.02 1 980 129 96 VAL HB H 1.083 0.02 1 981 129 96 VAL HG1 H 0.203 0.02 2 982 129 96 VAL HG2 H -0.305 0.02 2 983 129 96 VAL C C 172.17 0.1 1 984 129 96 VAL CA C 61.71 0.1 1 985 129 96 VAL CB C 33.41 0.1 1 986 129 96 VAL CG1 C 19.34 0.1 2 987 129 96 VAL CG2 C 21.87 0.1 2 988 129 96 VAL N N 116.68 0.2 1 989 130 97 GLU H H 7.385 0.02 1 990 130 97 GLU HA H 4.445 0.02 1 991 130 97 GLU HB2 H 1.650 0.02 2 992 130 97 GLU HB3 H 1.533 0.02 2 993 130 97 GLU HG2 H 1.943 0.02 2 994 130 97 GLU HG3 H 1.825 0.02 2 995 130 97 GLU C C 174.09 0.1 1 996 130 97 GLU CA C 53.61 0.1 1 997 130 97 GLU CB C 32.25 0.1 1 998 130 97 GLU CG C 35.30 0.1 1 999 130 97 GLU N N 123.06 0.2 1 1000 131 98 PHE H H 8.689 0.02 1 1001 131 98 PHE HA H 4.944 0.02 1 1002 131 98 PHE HB2 H 3.121 0.02 2 1003 131 98 PHE HB3 H 2.591 0.02 2 1004 131 98 PHE C C 173.03 0.1 1 1005 131 98 PHE CA C 57.33 0.1 1 1006 131 98 PHE CB C 43.43 0.1 1 1007 131 98 PHE N N 117.45 0.2 1 1008 132 99 SER H H 8.137 0.02 1 1009 132 99 SER HA H 4.656 0.02 1 1010 132 99 SER HB2 H 3.523 0.02 2 1011 132 99 SER HB3 H 3.523 0.02 2 1012 132 99 SER C C 170.05 0.1 1 1013 132 99 SER CA C 55.21 0.1 1 1014 132 99 SER CB C 64.24 0.1 1 1015 132 99 SER N N 115.84 0.2 1 1016 133 100 PRO HA H 3.983 0.02 1 1017 133 100 PRO HB2 H 0.711 0.02 2 1018 133 100 PRO HB3 H 0.012 0.02 2 1019 133 100 PRO HD2 H 3.096 0.02 2 1020 133 100 PRO HD3 H 2.658 0.02 2 1021 133 100 PRO HG2 H 1.769 0.02 2 1022 133 100 PRO HG3 H 1.553 0.02 2 1023 133 100 PRO CA C 61.18 0.1 1 1024 133 100 PRO CB C 30.78 0.1 1 1025 133 100 PRO CD C 48.84 0.1 1 1026 133 100 PRO CG C 26.25 0.1 1 1027 134 101 PRO HA H 5.664 0.02 1 1028 134 101 PRO HB2 H 3.323 0.02 2 1029 134 101 PRO HB3 H 2.205 0.02 2 1030 134 101 PRO HD2 H 3.696 0.02 2 1031 134 101 PRO HD3 H 3.501 0.02 2 1032 134 101 PRO HG2 H 2.318 0.02 2 1033 134 101 PRO HG3 H 1.929 0.02 2 1034 134 101 PRO C C 176.61 0.1 1 1035 134 101 PRO CA C 60.92 0.1 1 1036 134 101 PRO CB C 34.35 0.1 1 1037 134 101 PRO CD C 50.32 0.1 1 1038 134 101 PRO CG C 25.32 0.1 1 1039 135 102 VAL H H 9.143 0.02 1 1040 135 102 VAL HA H 5.644 0.02 1 1041 135 102 VAL HB H 2.246 0.02 1 1042 135 102 VAL HG1 H 1.034 0.02 2 1043 135 102 VAL HG2 H 0.719 0.02 2 1044 135 102 VAL C C 173.31 0.1 1 1045 135 102 VAL CA C 60.12 0.1 1 1046 135 102 VAL CB C 37.96 0.1 1 1047 135 102 VAL CG1 C 23.46 0.1 2 1048 135 102 VAL CG2 C 20.94 0.1 2 1049 135 102 VAL N N 120.14 0.2 1 1050 136 103 VAL H H 8.607 0.02 1 1051 136 103 VAL HA H 4.654 0.02 1 1052 136 103 VAL HB H 1.249 0.02 1 1053 136 103 VAL HG1 H 0.745 0.02 2 1054 136 103 VAL HG2 H -0.740 0.02 2 1055 136 103 VAL C C 175.50 0.1 1 1056 136 103 VAL CA C 61.05 0.1 1 1057 136 103 VAL CB C 35.04 0.1 1 1058 136 103 VAL CG1 C 21.73 0.1 2 1059 136 103 VAL CG2 C 20.14 0.1 2 1060 136 103 VAL N N 120.97 0.2 1 1061 137 104 VAL H H 8.264 0.02 1 1062 137 104 VAL HA H 4.802 0.02 1 1063 137 104 VAL HB H 1.952 0.02 1 1064 137 104 VAL HG1 H 0.933 0.02 2 1065 137 104 VAL HG2 H 0.871 0.02 2 1066 137 104 VAL C C 173.96 0.1 1 1067 137 104 VAL CA C 61.32 0.1 1 1068 137 104 VAL CB C 33.58 0.1 1 1069 137 104 VAL CG1 C 21.07 0.1 2 1070 137 104 VAL CG2 C 19.87 0.1 2 1071 137 104 VAL N N 126.46 0.2 1 1072 138 105 GLU H H 9.307 0.02 1 1073 138 105 GLU HA H 5.914 0.02 1 1074 138 105 GLU HB2 H 2.213 0.02 2 1075 138 105 GLU HB3 H 2.110 0.02 2 1076 138 105 GLU HG2 H 2.321 0.02 2 1077 138 105 GLU HG3 H 2.321 0.02 2 1078 138 105 GLU C C 174.34 0.1 1 1079 138 105 GLU CA C 55.34 0.1 1 1080 138 105 GLU CB C 35.66 0.1 1 1081 138 105 GLU CG C 39.14 0.1 1 1082 138 105 GLU N N 124.09 0.2 1 1083 139 106 ALA H H 9.397 0.02 1 1084 139 106 ALA HA H 5.113 0.02 1 1085 139 106 ALA HB H 0.995 0.02 1 1086 139 106 ALA C C 174.43 0.1 1 1087 139 106 ALA CA C 51.49 0.1 1 1088 139 106 ALA CB C 25.11 0.1 1 1089 139 106 ALA N N 123.31 0.2 1 1090 140 107 ARG H H 6.331 0.02 1 1091 140 107 ARG HA H 5.441 0.02 1 1092 140 107 ARG HB2 H 0.942 0.02 2 1093 140 107 ARG HB3 H 0.804 0.02 2 1094 140 107 ARG HD2 H 3.313 0.02 9 1095 140 107 ARG HD3 H 2.945 0.02 2 1096 140 107 ARG HG2 H 1.278 0.02 2 1097 140 107 ARG HG3 H 1.278 0.02 2 1098 140 107 ARG C C 175.86 0.1 1 1099 140 107 ARG CA C 54.14 0.1 1 1100 140 107 ARG CB C 32.47 0.1 1 1101 140 107 ARG CD C 43.14 0.1 1 1102 140 107 ARG CG C 28.46 0.1 1 1103 140 107 ARG N N 122.17 0.2 1 1104 141 108 ILE H H 9.229 0.02 1 1105 141 108 ILE HA H 5.618 0.02 1 1106 141 108 ILE HB H 1.897 0.02 1 1107 141 108 ILE HD1 H 0.483 0.02 1 1108 141 108 ILE HG12 H 1.725 0.02 2 1109 141 108 ILE HG13 H 0.998 0.02 2 1110 141 108 ILE HG2 H 0.807 0.02 1 1111 141 108 ILE C C 173.97 0.1 1 1112 141 108 ILE CA C 60.92 0.1 1 1113 141 108 ILE CB C 44.07 0.1 1 1114 141 108 ILE CD1 C 12.97 0.1 1 1115 141 108 ILE CG1 C 27.77 0.1 1 1116 141 108 ILE CG2 C 19.08 0.1 1 1117 141 108 ILE N N 126.51 0.2 1 1118 142 109 LYS H H 9.566 0.02 1 1119 142 109 LYS HA H 4.418 0.02 1 1120 142 109 LYS HB2 H 0.902 0.02 2 1121 142 109 LYS HB3 H -0.051 0.02 2 1122 142 109 LYS HD2 H 1.054 0.02 2 1123 142 109 LYS HD3 H 0.965 0.02 2 1124 142 109 LYS HE2 H 2.426 0.02 2 1125 142 109 LYS HE3 H 2.426 0.02 2 1126 142 109 LYS HG2 H 0.994 0.02 2 1127 142 109 LYS HG3 H 0.737 0.02 2 1128 142 109 LYS C C 173.75 0.1 1 1129 142 109 LYS CA C 56.67 0.1 1 1130 142 109 LYS CB C 34.73 0.1 1 1131 142 109 LYS CD C 29.57 0.1 1 1132 142 109 LYS CE C 41.63 0.1 1 1133 142 109 LYS CG C 24.54 0.1 1 1134 142 109 LYS N N 132.24 0.2 1 1135 143 110 LEU H H 7.468 0.02 1 1136 143 110 LEU HA H 4.615 0.02 1 1137 143 110 LEU HB2 H 0.801 0.02 2 1138 143 110 LEU HB3 H 0.801 0.02 2 1139 143 110 LEU HD1 H 0.559 0.02 2 1140 143 110 LEU HD2 H 0.024 0.02 2 1141 143 110 LEU HG H 1.403 0.02 1 1142 143 110 LEU C C 173.23 0.1 1 1143 143 110 LEU CA C 52.55 0.1 1 1144 143 110 LEU CB C 41.36 0.1 1 1145 143 110 LEU CD1 C 24.79 0.1 2 1146 143 110 LEU CD2 C 24.39 0.1 2 1147 143 110 LEU CG C 26.11 0.1 1 1148 143 110 LEU N N 126.97 0.2 1 1149 144 111 PRO HA H 4.712 0.02 1 1150 144 111 PRO HB2 H 2.232 0.02 2 1151 144 111 PRO HB3 H 1.818 0.02 2 1152 144 111 PRO HD2 H 3.508 0.02 2 1153 144 111 PRO HD3 H 3.508 0.02 2 1154 144 111 PRO HG2 H 2.078 0.02 2 1155 144 111 PRO HG3 H 1.687 0.02 2 1156 144 111 PRO C C 173.47 0.1 1 1157 144 111 PRO CA C 61.58 0.1 1 1158 144 111 PRO CB C 31.45 0.1 1 1159 144 111 PRO CD C 48.84 0.1 1 1160 144 111 PRO CG C 26.53 0.1 1 1161 145 112 LYS H H 7.859 0.02 1 1162 145 112 LYS HA H 4.485 0.02 1 1163 145 112 LYS HB2 H 1.894 0.02 2 1164 145 112 LYS HB3 H 1.743 0.02 2 1165 145 112 LYS HD2 H 1.762 0.02 2 1166 145 112 LYS HD3 H 1.762 0.02 2 1167 145 112 LYS HE2 H 3.018 0.02 2 1168 145 112 LYS HE3 H 2.986 0.02 2 1169 145 112 LYS HG2 H 1.542 0.02 2 1170 145 112 LYS HG3 H 1.426 0.02 2 1171 145 112 LYS C C 176.29 0.1 1 1172 145 112 LYS CA C 55.60 0.1 1 1173 145 112 LYS CB C 35.12 0.1 1 1174 145 112 LYS CD C 29.71 0.1 1 1175 145 112 LYS CE C 42.10 0.1 1 1176 145 112 LYS CG C 25.17 0.1 1 1177 145 112 LYS N N 116.22 0.2 1 1178 146 113 GLY H H 7.764 0.02 1 1179 146 113 GLY HA2 H 4.246 0.02 2 1180 146 113 GLY HA3 H 3.566 0.02 2 1181 146 113 GLY C C 171.42 0.1 1 1182 146 113 GLY CA C 44.84 0.1 1 1183 146 113 GLY N N 109.80 0.2 1 1184 147 114 LYS H H 8.435 0.02 1 1185 147 114 LYS HA H 3.825 0.02 1 1186 147 114 LYS HB2 H 1.676 0.02 2 1187 147 114 LYS HB3 H 1.541 0.02 2 1188 147 114 LYS HD2 H 1.435 0.02 2 1189 147 114 LYS HD3 H 1.369 0.02 2 1190 147 114 LYS HE2 H 2.760 0.02 2 1191 147 114 LYS HE3 H 2.424 0.02 2 1192 147 114 LYS HG2 H 1.216 0.02 2 1193 147 114 LYS HG3 H 1.103 0.02 2 1194 147 114 LYS C C 176.82 0.1 1 1195 147 114 LYS CA C 57.60 0.1 1 1196 147 114 LYS CB C 32.12 0.1 1 1197 147 114 LYS CD C 28.90 0.1 1 1198 147 114 LYS CE C 42.33 0.1 1 1199 147 114 LYS CG C 23.98 0.1 1 1200 147 114 LYS N N 125.72 0.2 1 1201 148 115 GLY H H 9.581 0.02 1 1202 148 115 GLY HA2 H 3.613 0.02 2 1203 148 115 GLY HA3 H 3.427 0.02 2 1204 148 115 GLY C C 172.03 0.1 1 1205 148 115 GLY CA C 44.45 0.1 1 1206 148 115 GLY N N 114.42 0.2 1 1207 149 116 LEU H H 7.170 0.02 1 1208 149 116 LEU HA H 4.650 0.02 1 1209 149 116 LEU HB2 H 1.908 0.02 2 1210 149 116 LEU HB3 H 0.982 0.02 2 1211 149 116 LEU HD1 H 0.546 0.02 2 1212 149 116 LEU HD2 H 0.458 0.02 2 1213 149 116 LEU HG H 1.188 0.02 1 1214 149 116 LEU C C 175.67 0.1 1 1215 149 116 LEU CA C 54.28 0.1 1 1216 149 116 LEU CB C 42.58 0.1 1 1217 149 116 LEU CD1 C 22.66 0.1 2 1218 149 116 LEU CD2 C 26.91 0.1 2 1219 149 116 LEU CG C 26.38 0.1 1 1220 149 116 LEU N N 118.13 0.2 1 1221 150 117 TRP H H 8.507 0.02 1 1222 150 117 TRP HA H 6.230 0.02 1 1223 150 117 TRP HB2 H 3.226 0.02 2 1224 150 117 TRP HB3 H 2.427 0.02 2 1225 150 117 TRP HD1 H 7.335 0.02 1 1226 150 117 TRP HE1 H 9.700 0.02 1 1227 150 117 TRP C C 172.75 0.1 1 1228 150 117 TRP CA C 52.42 0.1 1 1229 150 117 TRP CB C 31.56 0.1 1 1230 150 117 TRP N N 122.82 0.2 1 1231 150 117 TRP NE1 N 126.62 0.2 1 1232 151 118 PRO HA H 5.290 0.02 1 1233 151 118 PRO HB2 H 2.686 0.02 2 1234 151 118 PRO HB3 H 1.816 0.02 2 1235 151 118 PRO HD2 H 4.706 0.02 2 1236 151 118 PRO HD3 H 3.510 0.02 2 1237 151 118 PRO HG2 H 2.295 0.02 2 1238 151 118 PRO HG3 H 1.831 0.02 2 1239 151 118 PRO C C 174.76 0.1 1 1240 151 118 PRO CA C 61.98 0.1 1 1241 151 118 PRO CB C 34.07 0.1 1 1242 151 118 PRO CD C 49.36 0.1 1 1243 151 118 PRO CG C 28.80 0.1 1 1244 152 119 ALA H H 8.191 0.02 1 1245 152 119 ALA HA H 4.975 0.02 1 1246 152 119 ALA HB H 1.113 0.02 1 1247 152 119 ALA C C 174.69 0.1 1 1248 152 119 ALA CA C 52.55 0.1 1 1249 152 119 ALA CB C 23.99 0.1 1 1250 152 119 ALA N N 118.30 0.2 1 1251 153 120 PHE H H 8.721 0.02 1 1252 153 120 PHE HA H 5.953 0.02 1 1253 153 120 PHE HB2 H 3.068 0.02 2 1254 153 120 PHE HB3 H 2.956 0.02 2 1255 153 120 PHE C C 173.26 0.1 1 1256 153 120 PHE CA C 54.01 0.1 1 1257 153 120 PHE CB C 41.80 0.1 1 1258 153 120 PHE N N 120.12 0.2 1 1259 154 121 TRP H H 9.782 0.02 1 1260 154 121 TRP HA H 5.246 0.02 1 1261 154 121 TRP HB2 H 3.649 0.02 2 1262 154 121 TRP HB3 H 3.544 0.02 2 1263 154 121 TRP HD1 H 6.820 0.02 1 1264 154 121 TRP HE1 H 10.579 0.02 1 1265 154 121 TRP C C 171.70 0.1 1 1266 154 121 TRP CA C 55.87 0.1 1 1267 154 121 TRP CB C 29.97 0.1 1 1268 154 121 TRP N N 127.82 0.2 1 1269 154 121 TRP NE1 N 133.54 0.2 1 1270 155 122 MET H H 9.142 0.02 1 1271 155 122 MET HA H 5.507 0.02 1 1272 155 122 MET HB2 H 2.235 0.02 2 1273 155 122 MET HB3 H 1.616 0.02 2 1274 155 122 MET HG2 H 2.226 0.02 2 1275 155 122 MET HG3 H 2.035 0.02 2 1276 155 122 MET C C 175.39 0.1 1 1277 155 122 MET CA C 54.28 0.1 1 1278 155 122 MET CB C 40.21 0.1 1 1279 155 122 MET CG C 32.07 0.1 1 1280 155 122 MET N N 114.67 0.2 1 1281 156 123 LEU H H 7.072 0.02 1 1282 156 123 LEU HA H 4.911 0.02 1 1283 156 123 LEU HB2 H 1.015 0.02 2 1284 156 123 LEU HB3 H 0.588 0.02 2 1285 156 123 LEU HD1 H 1.276 0.02 2 1286 156 123 LEU HD2 H 0.722 0.02 2 1287 156 123 LEU HG H 1.284 0.02 1 1288 156 123 LEU C C 175.41 0.1 1 1289 156 123 LEU CA C 52.42 0.1 1 1290 156 123 LEU CB C 47.10 0.1 1 1291 156 123 LEU CD1 C 25.32 0.1 2 1292 156 123 LEU CD2 C 24.92 0.1 2 1293 156 123 LEU CG C 26.37 0.1 1 1294 156 123 LEU N N 121.67 0.2 1 1295 157 124 GLY H H 6.625 0.02 1 1296 157 124 GLY HA2 H 3.089 0.02 2 1297 157 124 GLY HA3 H 2.334 0.02 2 1298 157 124 GLY C C 174.20 0.1 1 1299 157 124 GLY CA C 45.38 0.1 1 1300 157 124 GLY N N 108.11 0.2 1 1301 158 125 SER H H 8.609 0.02 1 1302 158 125 SER HA H 4.202 0.02 1 1303 158 125 SER HB2 H 3.752 0.02 2 1304 158 125 SER HB3 H 3.706 0.02 2 1305 158 125 SER C C 174.86 0.1 1 1306 158 125 SER CA C 61.18 0.1 1 1307 158 125 SER CB C 63.63 0.1 1 1308 158 125 SER N N 118.71 0.2 1 1309 159 126 ASN H H 7.969 0.02 1 1310 159 126 ASN HA H 4.759 0.02 1 1311 159 126 ASN HB2 H 3.226 0.02 2 1312 159 126 ASN HB3 H 2.773 0.02 2 1313 159 126 ASN HD21 H 7.127 0.02 1 1314 159 126 ASN HD22 H 6.854 0.02 1 1315 159 126 ASN C C 177.38 0.1 1 1316 159 126 ASN CA C 52.68 0.1 1 1317 159 126 ASN CB C 36.89 0.1 1 1318 159 126 ASN N N 117.47 0.2 1 1319 159 126 ASN ND2 N 105.75 0.2 1 1320 160 127 ILE H H 7.892 0.02 1 1321 160 127 ILE HA H 3.625 0.02 1 1322 160 127 ILE HB H 2.469 0.02 1 1323 160 127 ILE HD1 H 1.082 0.02 1 1324 160 127 ILE HG12 H 1.400 0.02 2 1325 160 127 ILE HG13 H 1.088 0.02 2 1326 160 127 ILE HG2 H 1.135 0.02 1 1327 160 127 ILE C C 176.12 0.1 1 1328 160 127 ILE CA C 65.70 0.1 1 1329 160 127 ILE CB C 36.63 0.1 1 1330 160 127 ILE CD1 C 15.22 0.1 1 1331 160 127 ILE CG1 C 29.30 0.1 1 1332 160 127 ILE CG2 C 15.62 0.1 1 1333 160 127 ILE N N 121.96 0.2 1 1334 161 128 ARG H H 8.116 0.02 1 1335 161 128 ARG HA H 4.129 0.02 1 1336 161 128 ARG HB2 H 1.903 0.02 2 1337 161 128 ARG HB3 H 1.903 0.02 2 1338 161 128 ARG HD2 H 3.182 0.02 2 1339 161 128 ARG HD3 H 3.116 0.02 2 1340 161 128 ARG HG2 H 1.810 0.02 2 1341 161 128 ARG HG3 H 1.641 0.02 2 1342 161 128 ARG C C 176.29 0.1 1 1343 161 128 ARG CA C 57.86 0.1 1 1344 161 128 ARG CB C 28.47 0.1 1 1345 161 128 ARG CD C 42.67 0.1 1 1346 161 128 ARG CG C 27.18 0.1 1 1347 161 128 ARG N N 119.36 0.2 1 1348 162 129 GLU H H 7.688 0.02 1 1349 162 129 GLU HA H 4.400 0.02 1 1350 162 129 GLU HB2 H 2.078 0.02 2 1351 162 129 GLU HB3 H 2.078 0.02 2 1352 162 129 GLU HG2 H 2.194 0.02 2 1353 162 129 GLU HG3 H 2.194 0.02 2 1354 162 129 GLU C C 177.90 0.1 1 1355 162 129 GLU CA C 58.13 0.1 1 1356 162 129 GLU CB C 31.67 0.1 1 1357 162 129 GLU CG C 36.58 0.1 1 1358 162 129 GLU N N 116.60 0.2 1 1359 163 130 VAL H H 7.665 0.02 1 1360 163 130 VAL HA H 4.524 0.02 1 1361 163 130 VAL HB H 2.225 0.02 1 1362 163 130 VAL HG1 H 0.849 0.02 2 1363 163 130 VAL HG2 H 0.638 0.02 2 1364 163 130 VAL C C 177.01 0.1 1 1365 163 130 VAL CA C 61.18 0.1 1 1366 163 130 VAL CB C 32.93 0.1 1 1367 163 130 VAL CG1 C 21.20 0.1 2 1368 163 130 VAL CG2 C 18.28 0.1 2 1369 163 130 VAL N N 107.74 0.2 1 1370 164 131 GLY H H 7.914 0.02 1 1371 164 131 GLY HA2 H 4.255 0.02 2 1372 164 131 GLY HA3 H 3.964 0.02 2 1373 164 131 GLY C C 170.52 0.1 1 1374 164 131 GLY CA C 44.71 0.1 1 1375 164 131 GLY N N 110.27 0.2 1 1376 165 132 TRP H H 8.433 0.02 1 1377 165 132 TRP HA H 5.056 0.02 1 1378 165 132 TRP HB2 H 3.375 0.02 2 1379 165 132 TRP HB3 H 2.993 0.02 2 1380 165 132 TRP HD1 H 6.897 0.02 1 1381 165 132 TRP HE1 H 11.048 0.02 1 1382 165 132 TRP C C 176.77 0.1 1 1383 165 132 TRP CA C 55.47 0.1 1 1384 165 132 TRP CB C 32.36 0.1 1 1385 165 132 TRP N N 120.83 0.2 1 1386 165 132 TRP NE1 N 131.40 0.2 1 1387 166 133 PRO HA H 3.066 0.02 1 1388 166 133 PRO HB2 H 0.827 0.02 2 1389 166 133 PRO HB3 H -0.623 0.02 2 1390 166 133 PRO HD2 H 3.211 0.02 2 1391 166 133 PRO HD3 H 3.165 0.02 2 1392 166 133 PRO HG2 H 1.486 0.02 2 1393 166 133 PRO HG3 H 0.780 0.02 2 1394 166 133 PRO C C 176.14 0.1 1 1395 166 133 PRO CA C 63.31 0.1 1 1396 166 133 PRO CB C 31.69 0.1 1 1397 166 133 PRO CD C 49.09 0.1 1 1398 166 133 PRO CG C 24.11 0.1 1 1399 167 134 ASN H H 7.936 0.02 1 1400 167 134 ASN HA H 3.719 0.02 1 1401 167 134 ASN HB2 H 2.497 0.02 2 1402 167 134 ASN HB3 H 2.497 0.02 2 1403 167 134 ASN C C 174.67 0.1 1 1404 167 134 ASN CA C 57.06 0.1 1 1405 167 134 ASN CB C 36.98 0.1 1 1406 167 134 ASN N N 125.49 0.2 1 1407 168 135 CYS H H 8.135 0.02 1 1408 168 135 CYS HA H 4.346 0.02 1 1409 168 135 CYS HB2 H 3.152 0.02 2 1410 168 135 CYS HB3 H 2.112 0.02 2 1411 168 135 CYS C C 174.54 0.1 1 1412 168 135 CYS CA C 56.67 0.1 1 1413 168 135 CYS CB C 29.47 0.1 1 1414 168 135 CYS N N 113.33 0.2 1 1415 169 136 GLY H H 7.355 0.02 1 1416 169 136 GLY HA2 H 4.162 0.02 2 1417 169 136 GLY HA3 H 4.017 0.02 2 1418 169 136 GLY C C 171.61 0.1 1 1419 169 136 GLY CA C 44.45 0.1 1 1420 169 136 GLY N N 109.97 0.2 1 1421 170 137 GLU H H 8.777 0.02 1 1422 170 137 GLU HA H 5.495 0.02 1 1423 170 137 GLU HB2 H 2.513 0.02 2 1424 170 137 GLU HB3 H 2.103 0.02 2 1425 170 137 GLU HG2 H 2.991 0.02 2 1426 170 137 GLU HG3 H 2.481 0.02 2 1427 170 137 GLU C C 174.46 0.1 1 1428 170 137 GLU CA C 55.47 0.1 1 1429 170 137 GLU CB C 34.46 0.1 1 1430 170 137 GLU CG C 35.13 0.1 1 1431 170 137 GLU N N 122.08 0.2 1 1432 171 138 ILE H H 8.968 0.02 1 1433 171 138 ILE HA H 4.497 0.02 1 1434 171 138 ILE HB H 1.260 0.02 1 1435 171 138 ILE HD1 H -1.069 0.02 1 1436 171 138 ILE HG12 H 1.009 0.02 2 1437 171 138 ILE HG13 H -0.083 0.02 2 1438 171 138 ILE HG2 H 0.255 0.02 1 1439 171 138 ILE C C 174.75 0.1 1 1440 171 138 ILE CA C 60.78 0.1 1 1441 171 138 ILE CB C 40.42 0.1 1 1442 171 138 ILE CD1 C 11.24 0.1 1 1443 171 138 ILE CG1 C 26.38 0.1 1 1444 171 138 ILE CG2 C 17.22 0.1 1 1445 171 138 ILE N N 126.00 0.2 1 1446 172 139 ASP H H 10.074 0.02 1 1447 172 139 ASP HA H 5.367 0.02 1 1448 172 139 ASP HB2 H 3.128 0.02 2 1449 172 139 ASP HB3 H 2.798 0.02 2 1450 172 139 ASP C C 175.26 0.1 1 1451 172 139 ASP CA C 52.81 0.1 1 1452 172 139 ASP CB C 39.00 0.1 1 1453 172 139 ASP N N 128.09 0.2 1 1454 173 140 ILE H H 8.238 0.02 1 1455 173 140 ILE HA H 3.647 0.02 1 1456 173 140 ILE HB H 1.196 0.02 1 1457 173 140 ILE HD1 H -0.100 0.02 1 1458 173 140 ILE HG12 H 1.167 0.02 2 1459 173 140 ILE HG13 H 0.453 0.02 2 1460 173 140 ILE HG2 H 0.700 0.02 1 1461 173 140 ILE C C 174.48 0.1 1 1462 173 140 ILE CA C 65.57 0.1 1 1463 173 140 ILE CB C 36.74 0.1 1 1464 173 140 ILE CD1 C 12.70 0.1 1 1465 173 140 ILE CG1 C 27.98 0.1 1 1466 173 140 ILE CG2 C 16.95 0.1 1 1467 173 140 ILE N N 130.25 0.2 1 1468 174 141 MET H H 8.249 0.02 1 1469 174 141 MET HA H 4.550 0.02 1 1470 174 141 MET HB2 H 1.858 0.02 2 1471 174 141 MET HB3 H 1.785 0.02 2 1472 174 141 MET HG2 H 1.582 0.02 2 1473 174 141 MET HG3 H 1.079 0.02 2 1474 174 141 MET C C 174.38 0.1 1 1475 174 141 MET CA C 56.40 0.1 1 1476 174 141 MET CB C 33.45 0.1 1 1477 174 141 MET CG C 30.71 0.1 1 1478 174 141 MET N N 114.95 0.2 1 1479 175 142 GLU H H 8.460 0.02 1 1480 175 142 GLU HA H 4.844 0.02 1 1481 175 142 GLU HB2 H 2.194 0.02 2 1482 175 142 GLU HB3 H 1.993 0.02 2 1483 175 142 GLU HG2 H 2.488 0.02 2 1484 175 142 GLU HG3 H 2.369 0.02 2 1485 175 142 GLU C C 174.35 0.1 1 1486 175 142 GLU CA C 56.40 0.1 1 1487 175 142 GLU CB C 33.27 0.1 1 1488 175 142 GLU CG C 34.69 0.1 1 1489 175 142 GLU N N 122.80 0.2 1 1490 176 143 PHE H H 7.856 0.02 1 1491 176 143 PHE HA H 4.821 0.02 1 1492 176 143 PHE HB2 H 3.054 0.02 2 1493 176 143 PHE HB3 H 2.456 0.02 2 1494 176 143 PHE C C 169.96 0.1 1 1495 176 143 PHE CA C 56.00 0.1 1 1496 176 143 PHE CB C 44.06 0.1 1 1497 176 143 PHE N N 124.09 0.2 1 1498 177 144 LEU H H 8.299 0.02 1 1499 177 144 LEU HA H 4.775 0.02 1 1500 177 144 LEU HB2 H 1.257 0.02 2 1501 177 144 LEU HB3 H 0.938 0.02 2 1502 177 144 LEU HD1 H -0.319 0.02 2 1503 177 144 LEU HD2 H -0.548 0.02 2 1504 177 144 LEU HG H 0.618 0.02 1 1505 177 144 LEU C C 178.87 0.1 1 1506 177 144 LEU CA C 52.42 0.1 1 1507 177 144 LEU CB C 42.86 0.1 1 1508 177 144 LEU CD1 C 23.99 0.1 2 1509 177 144 LEU CD2 C 22.26 0.1 2 1510 177 144 LEU CG C 26.51 0.1 1 1511 177 144 LEU N N 123.12 0.2 1 1512 178 145 GLY H H 8.436 0.02 1 1513 178 145 GLY HA2 H 4.217 0.02 2 1514 178 145 GLY HA3 H 3.698 0.02 2 1515 178 145 GLY C C 174.71 0.1 1 1516 178 145 GLY CA C 47.77 0.1 1 1517 178 145 GLY N N 105.91 0.2 1 1518 179 146 HIS H H 7.626 0.02 1 1519 179 146 HIS HA H 4.741 0.02 1 1520 179 146 HIS HB2 H 3.406 0.02 2 1521 179 146 HIS HB3 H 2.428 0.02 2 1522 179 146 HIS C C 174.32 0.1 1 1523 179 146 HIS CA C 56.00 0.1 1 1524 179 146 HIS CB C 30.54 0.1 1 1525 179 146 HIS N N 115.23 0.2 1 1526 180 147 GLU H H 7.481 0.02 1 1527 180 147 GLU HA H 4.688 0.02 1 1528 180 147 GLU HB2 H 1.715 0.02 2 1529 180 147 GLU HB3 H 1.237 0.02 2 1530 180 147 GLU HG2 H 1.634 0.02 2 1531 180 147 GLU HG3 H 1.348 0.02 2 1532 180 147 GLU C C 173.83 0.1 1 1533 180 147 GLU CA C 53.48 0.1 1 1534 180 147 GLU CB C 30.10 0.1 1 1535 180 147 GLU CG C 35.30 0.1 1 1536 180 147 GLU N N 123.68 0.2 1 1537 181 148 PRO HA H 4.872 0.02 1 1538 181 148 PRO HB2 H 2.294 0.02 2 1539 181 148 PRO HB3 H 2.150 0.02 2 1540 181 148 PRO HD2 H 3.670 0.02 2 1541 181 148 PRO HD3 H 3.330 0.02 2 1542 181 148 PRO HG2 H 1.910 0.02 2 1543 181 148 PRO HG3 H 1.881 0.02 2 1544 181 148 PRO C C 175.72 0.1 1 1545 181 148 PRO CA C 65.17 0.1 1 1546 181 148 PRO CB C 33.17 0.1 1 1547 181 148 PRO CD C 50.31 0.1 1 1548 181 148 PRO CG C 27.44 0.1 1 1549 182 149 ARG H H 8.356 0.02 1 1550 182 149 ARG HA H 4.635 0.02 1 1551 182 149 ARG HB2 H 2.273 0.02 2 1552 182 149 ARG HB3 H 1.789 0.02 2 1553 182 149 ARG HD2 H 3.360 0.02 2 1554 182 149 ARG HD3 H 3.059 0.02 2 1555 182 149 ARG HG2 H 1.698 0.02 2 1556 182 149 ARG HG3 H 1.442 0.02 2 1557 182 149 ARG C C 174.60 0.1 1 1558 182 149 ARG CA C 56.13 0.1 1 1559 182 149 ARG CB C 30.87 0.1 1 1560 182 149 ARG CD C 43.01 0.1 1 1561 182 149 ARG CG C 29.58 0.1 1 1562 182 149 ARG N N 115.23 0.2 1 1563 183 150 THR H H 7.669 0.02 1 1564 183 150 THR HA H 5.877 0.02 1 1565 183 150 THR HB H 3.633 0.02 1 1566 183 150 THR HG2 H 0.807 0.02 1 1567 183 150 THR C C 173.48 0.1 1 1568 183 150 THR CA C 62.24 0.1 1 1569 183 150 THR CB C 72.74 0.1 1 1570 183 150 THR CG2 C 22.53 0.1 1 1571 183 150 THR N N 117.09 0.2 1 1572 184 151 ILE H H 8.818 0.02 1 1573 184 151 ILE HA H 4.942 0.02 1 1574 184 151 ILE HB H 1.728 0.02 1 1575 184 151 ILE HD1 H 0.823 0.02 1 1576 184 151 ILE HG12 H 1.333 0.02 2 1577 184 151 ILE HG13 H 0.989 0.02 2 1578 184 151 ILE HG2 H 0.271 0.02 1 1579 184 151 ILE C C 173.66 0.1 1 1580 184 151 ILE CA C 59.46 0.1 1 1581 184 151 ILE CB C 44.47 0.1 1 1582 184 151 ILE CD1 C 15.76 0.1 1 1583 184 151 ILE CG1 C 26.51 0.1 1 1584 184 151 ILE CG2 C 19.74 0.1 1 1585 184 151 ILE N N 119.33 0.2 1 1586 185 152 HIS H H 8.424 0.02 1 1587 185 152 HIS HA H 5.230 0.02 1 1588 185 152 HIS HB2 H 2.821 0.02 2 1589 185 152 HIS HB3 H 2.771 0.02 2 1590 185 152 HIS C C 173.72 0.1 1 1591 185 152 HIS CA C 54.81 0.1 1 1592 185 152 HIS CB C 33.92 0.1 1 1593 185 152 HIS N N 117.16 0.2 1 1594 186 153 GLY H H 8.343 0.02 1 1595 186 153 GLY HA2 H 4.674 0.02 2 1596 186 153 GLY HA3 H 2.982 0.02 2 1597 186 153 GLY C C 173.03 0.1 1 1598 186 153 GLY CA C 44.84 0.1 1 1599 186 153 GLY N N 110.20 0.2 1 1600 187 154 THR H H 7.986 0.02 1 1601 187 154 THR HA H 5.123 0.02 1 1602 187 154 THR HB H 4.111 0.02 1 1603 187 154 THR HG2 H 0.507 0.02 1 1604 187 154 THR C C 173.53 0.1 1 1605 187 154 THR CA C 62.24 0.1 1 1606 187 154 THR CB C 72.34 0.1 1 1607 187 154 THR CG2 C 22.66 0.1 1 1608 187 154 THR N N 116.24 0.2 1 1609 188 155 VAL H H 7.580 0.02 9 1610 188 155 VAL HA H 5.385 0.02 1 1611 188 155 VAL HB H 2.108 0.02 1 1612 188 155 VAL HG1 H 0.872 0.02 2 1613 188 155 VAL HG2 H 0.798 0.02 2 1614 188 155 VAL C C 172.74 0.1 1 1615 188 155 VAL CA C 59.85 0.1 1 1616 188 155 VAL CB C 35.42 0.1 1 1617 188 155 VAL CG1 C 21.47 0.1 2 1618 188 155 VAL CG2 C 22.93 0.1 2 1619 188 155 VAL N N 119.19 0.2 9 1620 189 156 HIS H H 8.893 0.02 1 1621 189 156 HIS HA H 5.707 0.02 1 1622 189 156 HIS HB2 H 3.003 0.02 2 1623 189 156 HIS HB3 H 2.569 0.02 2 1624 189 156 HIS C C 174.73 0.1 1 1625 189 156 HIS CA C 53.74 0.1 1 1626 189 156 HIS CB C 35.55 0.1 1 1627 189 156 HIS N N 120.08 0.2 1 1628 190 157 GLY H H 6.797 0.02 1 1629 190 157 GLY HA2 H 3.873 0.02 2 1630 190 157 GLY HA3 H 2.874 0.02 2 1631 190 157 GLY C C 170.34 0.1 1 1632 190 157 GLY CA C 43.78 0.1 1 1633 190 157 GLY N N 109.35 0.2 1 1634 191 158 PRO HA H 3.786 0.02 1 1635 191 158 PRO HB2 H 2.061 0.02 2 1636 191 158 PRO HB3 H 1.908 0.02 2 1637 191 158 PRO HD2 H 3.245 0.02 2 1638 191 158 PRO HD3 H 3.072 0.02 2 1639 191 158 PRO HG2 H 2.504 0.02 2 1640 191 158 PRO HG3 H 1.962 0.02 2 1641 191 158 PRO C C 175.16 0.1 1 1642 191 158 PRO CA C 63.84 0.1 1 1643 191 158 PRO CB C 30.51 0.1 1 1644 191 158 PRO CD C 48.60 0.1 1 1645 191 158 PRO CG C 27.85 0.1 1 1646 192 159 GLY H H 8.205 0.02 1 1647 192 159 GLY HA2 H 3.891 0.02 2 1648 192 159 GLY HA3 H 3.231 0.02 2 1649 192 159 GLY C C 172.61 0.1 1 1650 192 159 GLY CA C 44.58 0.1 1 1651 192 159 GLY N N 116.63 0.2 1 1652 193 160 TYR H H 7.661 0.02 1 1653 193 160 TYR HA H 4.500 0.02 1 1654 193 160 TYR HB2 H 2.984 0.02 2 1655 193 160 TYR HB3 H 2.339 0.02 2 1656 193 160 TYR C C 174.19 0.1 1 1657 193 160 TYR CA C 53.35 0.1 1 1658 193 160 TYR CB C 35.19 0.1 1 1659 193 160 TYR N N 119.77 0.2 1 1660 194 161 SER H H 7.168 0.02 1 1661 194 161 SER HA H 5.406 0.02 1 1662 194 161 SER HB2 H 3.689 0.02 2 1663 194 161 SER HB3 H 3.495 0.02 2 1664 194 161 SER C C 177.27 0.1 1 1665 194 161 SER CA C 55.87 0.1 1 1666 194 161 SER CB C 67.69 0.1 1 1667 194 161 SER N N 111.69 0.2 1 1668 195 162 GLY H H 11.453 0.02 1 1669 195 162 GLY HA2 H 4.252 0.02 2 1670 195 162 GLY HA3 H 4.039 0.02 2 1671 195 162 GLY C C 177.57 0.1 1 1672 195 162 GLY CA C 46.70 0.1 1 1673 195 162 GLY N N 116.51 0.2 1 1674 196 163 SER HA H 4.217 0.02 1 1675 196 163 SER HB2 H 3.987 0.02 2 1676 196 163 SER HB3 H 3.923 0.02 2 1677 196 163 SER C C 175.05 0.1 1 1678 196 163 SER CA C 60.92 0.1 1 1679 196 163 SER CB C 62.78 0.1 1 1680 197 164 LYS H H 7.663 0.02 1 1681 197 164 LYS HA H 4.457 0.02 1 1682 197 164 LYS HB2 H 2.283 0.02 2 1683 197 164 LYS HB3 H 1.797 0.02 2 1684 197 164 LYS HD2 H 1.770 0.02 2 1685 197 164 LYS HD3 H 1.770 0.02 2 1686 197 164 LYS HE2 H 3.105 0.02 2 1687 197 164 LYS HE3 H 3.105 0.02 2 1688 197 164 LYS HG2 H 1.552 0.02 2 1689 197 164 LYS HG3 H 1.424 0.02 2 1690 197 164 LYS C C 175.93 0.1 1 1691 197 164 LYS CA C 55.34 0.1 1 1692 197 164 LYS CB C 31.97 0.1 1 1693 197 164 LYS CD C 28.93 0.1 1 1694 197 164 LYS CE C 42.33 0.1 1 1695 197 164 LYS CG C 25.19 0.1 1 1696 197 164 LYS N N 120.13 0.2 1 1697 198 165 GLY H H 7.307 0.02 1 1698 198 165 GLY HA2 H 4.169 0.02 2 1699 198 165 GLY HA3 H 2.868 0.02 2 1700 198 165 GLY C C 173.42 0.1 1 1701 198 165 GLY CA C 45.51 0.1 1 1702 198 165 GLY N N 105.27 0.2 1 1703 199 166 ILE H H 8.121 0.02 1 1704 199 166 ILE HA H 4.249 0.02 1 1705 199 166 ILE HB H 1.990 0.02 1 1706 199 166 ILE HD1 H 0.781 0.02 1 1707 199 166 ILE HG12 H 1.888 0.02 2 1708 199 166 ILE HG13 H 1.153 0.02 2 1709 199 166 ILE HG2 H 1.014 0.02 1 1710 199 166 ILE C C 176.21 0.1 1 1711 199 166 ILE CA C 62.38 0.1 1 1712 199 166 ILE CB C 36.73 0.1 1 1713 199 166 ILE CD1 C 13.76 0.1 1 1714 199 166 ILE CG1 C 27.05 0.1 1 1715 199 166 ILE CG2 C 18.68 0.1 1 1716 199 166 ILE N N 121.50 0.2 1 1717 200 167 THR H H 7.970 0.02 1 1718 200 167 THR HA H 5.354 0.02 1 1719 200 167 THR HB H 3.619 0.02 1 1720 200 167 THR HG2 H 0.961 0.02 1 1721 200 167 THR C C 171.21 0.1 1 1722 200 167 THR CA C 59.32 0.1 1 1723 200 167 THR CB C 71.14 0.1 1 1724 200 167 THR CG2 C 18.15 0.1 1 1725 200 167 THR N N 125.09 0.2 1 1726 201 168 ARG H H 8.143 0.02 1 1727 201 168 ARG HA H 4.149 0.02 1 1728 201 168 ARG HB2 H 1.173 0.02 2 1729 201 168 ARG HB3 H 0.841 0.02 2 1730 201 168 ARG HD2 H 3.529 0.02 2 1731 201 168 ARG HD3 H 3.510 0.02 2 1732 201 168 ARG HG2 H 1.893 0.02 2 1733 201 168 ARG HG3 H 1.708 0.02 2 1734 201 168 ARG C C 172.73 0.1 1 1735 201 168 ARG CA C 56.13 0.1 1 1736 201 168 ARG CB C 33.93 0.1 1 1737 201 168 ARG CD C 43.59 0.1 1 1738 201 168 ARG CG C 27.98 0.1 1 1739 201 168 ARG N N 127.14 0.2 1 1740 202 169 ALA H H 7.756 0.02 1 1741 202 169 ALA HA H 5.075 0.02 1 1742 202 169 ALA HB H 1.051 0.02 1 1743 202 169 ALA C C 176.69 0.1 1 1744 202 169 ALA CA C 49.89 0.1 1 1745 202 169 ALA CB C 21.33 0.1 1 1746 202 169 ALA N N 124.89 0.2 1 1747 203 170 TYR H H 8.719 0.02 1 1748 203 170 TYR HA H 4.456 0.02 1 1749 203 170 TYR HB2 H 1.914 0.02 2 1750 203 170 TYR HB3 H 1.842 0.02 2 1751 203 170 TYR C C 173.25 0.1 1 1752 203 170 TYR CA C 57.60 0.1 1 1753 203 170 TYR CB C 40.49 0.1 1 1754 203 170 TYR N N 122.79 0.2 1 1755 204 171 THR H H 7.265 0.02 1 1756 204 171 THR HA H 5.225 0.02 1 1757 204 171 THR HB H 3.482 0.02 1 1758 204 171 THR HG2 H 1.068 0.02 1 1759 204 171 THR C C 173.05 0.1 1 1760 204 171 THR CA C 60.12 0.1 1 1761 204 171 THR CB C 71.01 0.1 1 1762 204 171 THR CG2 C 21.33 0.1 1 1763 204 171 THR N N 123.40 0.2 1 1764 205 172 LEU H H 8.480 0.02 1 1765 205 172 LEU HA H 4.126 0.02 1 1766 205 172 LEU HB2 H 1.281 0.02 2 1767 205 172 LEU HB3 H 1.281 0.02 2 1768 205 172 LEU HD1 H 0.764 0.02 2 1769 205 172 LEU HD2 H -0.179 0.02 2 1770 205 172 LEU HG H 1.352 0.02 1 1771 205 172 LEU C C 174.63 0.1 1 1772 205 172 LEU CA C 53.08 0.1 1 1773 205 172 LEU CB C 43.01 0.1 1 1774 205 172 LEU CD1 C 23.06 0.1 2 1775 205 172 LEU CD2 C 25.98 0.1 2 1776 205 172 LEU CG C 26.65 0.1 1 1777 205 172 LEU N N 126.41 0.2 1 1778 206 173 PRO HA H 4.461 0.02 1 1779 206 173 PRO HB2 H 2.346 0.02 2 1780 206 173 PRO HB3 H 1.973 0.02 2 1781 206 173 PRO HD2 H 3.884 0.02 2 1782 206 173 PRO HD3 H 3.441 0.02 2 1783 206 173 PRO HG2 H 2.075 0.02 2 1784 206 173 PRO HG3 H 1.985 0.02 2 1785 206 173 PRO C C 176.08 0.1 1 1786 206 173 PRO CA C 62.38 0.1 1 1787 206 173 PRO CB C 32.23 0.1 1 1788 206 173 PRO CD C 50.29 0.1 1 1789 206 173 PRO CG C 27.05 0.1 1 1790 207 174 GLU H H 8.243 0.02 1 1791 207 174 GLU HA H 3.958 0.02 1 1792 207 174 GLU HB2 H 1.966 0.02 2 1793 207 174 GLU HB3 H 1.931 0.02 2 1794 207 174 GLU HG2 H 2.271 0.02 2 1795 207 174 GLU HG3 H 2.230 0.02 2 1796 207 174 GLU C C 177.55 0.1 1 1797 207 174 GLU CA C 57.99 0.1 1 1798 207 174 GLU CB C 29.88 0.1 1 1799 207 174 GLU CG C 36.51 0.1 1 1800 207 174 GLU N N 119.41 0.2 1 1801 208 175 GLY H H 8.570 0.02 1 1802 208 175 GLY HA2 H 4.201 0.02 2 1803 208 175 GLY HA3 H 3.670 0.02 2 1804 208 175 GLY C C 174.00 0.1 1 1805 208 175 GLY CA C 45.51 0.1 1 1806 208 175 GLY N N 108.91 0.2 1 1807 209 176 VAL H H 6.861 0.02 1 1808 209 176 VAL HA H 4.698 0.02 1 1809 209 176 VAL HB H 2.210 0.02 1 1810 209 176 VAL HG1 H 1.005 0.02 2 1811 209 176 VAL HG2 H 0.860 0.02 2 1812 209 176 VAL C C 173.48 0.1 1 1813 209 176 VAL CA C 58.66 0.1 1 1814 209 176 VAL CB C 32.20 0.1 1 1815 209 176 VAL CG1 C 21.20 0.1 2 1816 209 176 VAL CG2 C 19.61 0.1 2 1817 209 176 VAL N N 114.70 0.2 1 1818 210 177 PRO HA H 4.444 0.02 1 1819 210 177 PRO HB2 H 2.245 0.02 2 1820 210 177 PRO HB3 H 1.797 0.02 2 1821 210 177 PRO HD2 H 3.825 0.02 2 1822 210 177 PRO HD3 H 3.697 0.02 2 1823 210 177 PRO HG2 H 2.115 0.02 2 1824 210 177 PRO HG3 H 1.977 0.02 2 1825 210 177 PRO C C 176.91 0.1 1 1826 210 177 PRO CA C 63.17 0.1 1 1827 210 177 PRO CB C 32.48 0.1 1 1828 210 177 PRO CD C 50.81 0.1 1 1829 210 177 PRO CG C 27.61 0.1 1 1830 211 178 ASP H H 9.029 0.02 1 1831 211 178 ASP HA H 4.176 0.02 1 1832 211 178 ASP HB2 H 3.081 0.02 2 1833 211 178 ASP HB3 H 2.594 0.02 2 1834 211 178 ASP C C 177.18 0.1 1 1835 211 178 ASP CA C 53.08 0.1 1 1836 211 178 ASP CB C 40.08 0.1 1 1837 211 178 ASP N N 121.41 0.2 1 1838 212 179 PHE H H 7.371 0.02 1 1839 212 179 PHE HA H 4.440 0.02 1 1840 212 179 PHE HB2 H 3.161 0.02 2 1841 212 179 PHE HB3 H 2.813 0.02 2 1842 212 179 PHE C C 175.37 0.1 1 1843 212 179 PHE CA C 61.71 0.1 1 1844 212 179 PHE CB C 38.12 0.1 1 1845 212 179 PHE N N 112.95 0.2 1 1846 213 180 THR H H 9.681 0.02 1 1847 213 180 THR HA H 5.586 0.02 1 1848 213 180 THR HB H 4.337 0.02 1 1849 213 180 THR HG2 H 1.059 0.02 1 1850 213 180 THR C C 175.60 0.1 1 1851 213 180 THR CA C 60.52 0.1 1 1852 213 180 THR CB C 70.38 0.1 1 1853 213 180 THR CG2 C 23.33 0.1 1 1854 213 180 THR N N 111.12 0.2 1 1855 214 181 GLU H H 7.359 0.02 1 1856 214 181 GLU HA H 4.223 0.02 1 1857 214 181 GLU HB2 H 2.080 0.02 2 1858 214 181 GLU HB3 H 1.957 0.02 2 1859 214 181 GLU HG2 H 2.559 0.02 2 1860 214 181 GLU HG3 H 2.120 0.02 2 1861 214 181 GLU C C 176.12 0.1 1 1862 214 181 GLU CA C 57.06 0.1 1 1863 214 181 GLU CB C 32.41 0.1 1 1864 214 181 GLU CG C 37.28 0.1 1 1865 214 181 GLU N N 122.07 0.2 1 1866 215 182 ASP H H 7.822 0.02 1 1867 215 182 ASP HA H 4.629 0.02 1 1868 215 182 ASP HB2 H 2.503 0.02 2 1869 215 182 ASP HB3 H 2.207 0.02 2 1870 215 182 ASP C C 174.25 0.1 1 1871 215 182 ASP CA C 51.49 0.1 1 1872 215 182 ASP CB C 44.07 0.1 1 1873 215 182 ASP N N 115.31 0.2 1 1874 216 183 PHE H H 9.005 0.02 1 1875 216 183 PHE HA H 4.248 0.02 1 1876 216 183 PHE HB2 H 2.674 0.02 2 1877 216 183 PHE HB3 H 2.674 0.02 2 1878 216 183 PHE C C 176.14 0.1 1 1879 216 183 PHE CA C 59.06 0.1 1 1880 216 183 PHE CB C 41.07 0.1 1 1881 216 183 PHE N N 116.20 0.2 1 1882 217 184 HIS H H 8.418 0.02 1 1883 217 184 HIS HA H 4.764 0.02 1 1884 217 184 HIS HB2 H 3.051 0.02 2 1885 217 184 HIS HB3 H 2.957 0.02 2 1886 217 184 HIS C C 171.19 0.1 1 1887 217 184 HIS CA C 54.94 0.1 1 1888 217 184 HIS CB C 32.17 0.1 1 1889 217 184 HIS N N 117.06 0.2 1 1890 218 185 VAL H H 8.846 0.02 1 1891 218 185 VAL HA H 4.633 0.02 1 1892 218 185 VAL HB H 1.987 0.02 1 1893 218 185 VAL HG1 H 1.010 0.02 2 1894 218 185 VAL HG2 H 0.963 0.02 2 1895 218 185 VAL C C 173.76 0.1 1 1896 218 185 VAL CA C 61.98 0.1 1 1897 218 185 VAL CB C 33.44 0.1 1 1898 218 185 VAL CG1 C 22.13 0.1 2 1899 218 185 VAL CG2 C 21.60 0.1 2 1900 218 185 VAL N N 121.61 0.2 1 1901 219 186 PHE H H 8.922 0.02 1 1902 219 186 PHE HA H 5.233 0.02 1 1903 219 186 PHE HB2 H 3.267 0.02 2 1904 219 186 PHE HB3 H 2.928 0.02 2 1905 219 186 PHE C C 174.68 0.1 1 1906 219 186 PHE CA C 56.00 0.1 1 1907 219 186 PHE CB C 43.13 0.1 1 1908 219 186 PHE N N 124.96 0.2 1 1909 220 187 GLY H H 7.953 0.02 1 1910 220 187 GLY HA2 H 5.001 0.02 2 1911 220 187 GLY HA3 H 3.343 0.02 2 1912 220 187 GLY C C 172.12 0.1 1 1913 220 187 GLY CA C 46.57 0.1 1 1914 220 187 GLY N N 109.11 0.2 1 1915 221 188 ILE H H 8.246 0.02 1 1916 221 188 ILE HA H 5.291 0.02 1 1917 221 188 ILE HB H 1.061 0.02 1 1918 221 188 ILE HD1 H 0.228 0.02 1 1919 221 188 ILE HG12 H 1.393 0.02 2 1920 221 188 ILE HG13 H 0.730 0.02 2 1921 221 188 ILE HG2 H -0.132 0.02 1 1922 221 188 ILE C C 175.18 0.1 1 1923 221 188 ILE CA C 58.53 0.1 1 1924 221 188 ILE CB C 42.61 0.1 1 1925 221 188 ILE CD1 C 14.16 0.1 1 1926 221 188 ILE CG1 C 24.38 0.1 1 1927 221 188 ILE CG2 C 17.08 0.1 1 1928 221 188 ILE N N 107.99 0.2 1 1929 222 189 VAL H H 9.024 0.02 1 1930 222 189 VAL HA H 3.886 0.02 1 1931 222 189 VAL HB H 1.981 0.02 1 1932 222 189 VAL HG1 H 0.958 0.02 2 1933 222 189 VAL HG2 H 0.599 0.02 2 1934 222 189 VAL C C 173.25 0.1 1 1935 222 189 VAL CA C 62.64 0.1 1 1936 222 189 VAL CB C 32.10 0.1 1 1937 222 189 VAL CG1 C 22.13 0.1 2 1938 222 189 VAL CG2 C 22.80 0.1 2 1939 222 189 VAL N N 120.76 0.2 1 1940 223 190 TRP H H 9.065 0.02 1 1941 223 190 TRP HA H 5.342 0.02 1 1942 223 190 TRP HB2 H 3.540 0.02 2 1943 223 190 TRP HB3 H 2.402 0.02 2 1944 223 190 TRP HD1 H 7.527 0.02 1 1945 223 190 TRP HE1 H 10.060 0.02 1 1946 223 190 TRP C C 173.61 0.1 1 1947 223 190 TRP CA C 53.88 0.1 1 1948 223 190 TRP CB C 30.90 0.1 1 1949 223 190 TRP N N 130.38 0.2 1 1950 223 190 TRP NE1 N 125.64 0.2 1 1951 224 191 TYR H H 9.544 0.02 1 1952 224 191 TYR HA H 4.843 0.02 1 1953 224 191 TYR HB2 H 3.367 0.02 2 1954 224 191 TYR HB3 H 3.229 0.02 2 1955 224 191 TYR C C 173.74 0.1 1 1956 224 191 TYR CA C 56.13 0.1 1 1957 224 191 TYR CB C 37.98 0.1 1 1958 224 191 TYR N N 123.36 0.2 1 1959 225 192 PRO HA H 4.340 0.02 1 1960 225 192 PRO HB2 H 2.477 0.02 2 1961 225 192 PRO HB3 H 1.934 0.02 2 1962 225 192 PRO HD2 H 4.068 0.02 2 1963 225 192 PRO HD3 H 3.365 0.02 2 1964 225 192 PRO HG2 H 2.201 0.02 2 1965 225 192 PRO HG3 H 1.759 0.02 2 1966 225 192 PRO C C 175.75 0.1 1 1967 225 192 PRO CA C 65.57 0.1 1 1968 225 192 PRO CB C 31.41 0.1 1 1969 225 192 PRO CD C 50.02 0.1 1 1970 225 192 PRO CG C 28.11 0.1 1 1971 226 193 ASP H H 8.155 0.02 1 1972 226 193 ASP HA H 4.281 0.02 1 1973 226 193 ASP HB2 H 2.790 0.02 2 1974 226 193 ASP HB3 H 2.339 0.02 2 1975 226 193 ASP C C 175.84 0.1 1 1976 226 193 ASP CA C 52.15 0.1 1 1977 226 193 ASP CB C 41.38 0.1 1 1978 226 193 ASP N N 109.74 0.2 1 1979 227 194 LYS H H 7.880 0.02 1 1980 227 194 LYS HA H 5.171 0.02 1 1981 227 194 LYS HB2 H 1.930 0.02 2 1982 227 194 LYS HB3 H 1.930 0.02 2 1983 227 194 LYS HD2 H 1.572 0.02 2 1984 227 194 LYS HD3 H 1.572 0.02 2 1985 227 194 LYS HE2 H 2.701 0.02 2 1986 227 194 LYS HE3 H 2.701 0.02 2 1987 227 194 LYS HG2 H 1.382 0.02 2 1988 227 194 LYS HG3 H 1.382 0.02 2 1989 227 194 LYS C C 172.15 0.1 1 1990 227 194 LYS CA C 57.33 0.1 1 1991 227 194 LYS CB C 34.75 0.1 1 1992 227 194 LYS CD C 29.42 0.1 1 1993 227 194 LYS CE C 41.54 0.1 1 1994 227 194 LYS CG C 24.26 0.1 1 1995 227 194 LYS N N 120.05 0.2 1 1996 228 195 ILE H H 8.931 0.02 1 1997 228 195 ILE HA H 5.002 0.02 1 1998 228 195 ILE HB H 1.059 0.02 1 1999 228 195 ILE HD1 H -0.242 0.02 1 2000 228 195 ILE HG12 H 1.624 0.02 2 2001 228 195 ILE HG13 H 0.814 0.02 2 2002 228 195 ILE HG2 H -0.536 0.02 1 2003 228 195 ILE C C 174.23 0.1 1 2004 228 195 ILE CA C 60.65 0.1 1 2005 228 195 ILE CB C 41.50 0.1 1 2006 228 195 ILE CD1 C 14.29 0.1 1 2007 228 195 ILE CG1 C 28.64 0.1 1 2008 228 195 ILE CG2 C 16.82 0.1 1 2009 228 195 ILE N N 123.67 0.2 1 2010 229 196 LYS H H 8.830 0.02 1 2011 229 196 LYS HA H 5.472 0.02 1 2012 229 196 LYS HB2 H 2.055 0.02 2 2013 229 196 LYS HB3 H 1.763 0.02 2 2014 229 196 LYS HD2 H 1.518 0.02 2 2015 229 196 LYS HD3 H 1.377 0.02 2 2016 229 196 LYS HE2 H 2.511 0.02 2 2017 229 196 LYS HE3 H 2.271 0.02 2 2018 229 196 LYS HG2 H 1.524 0.02 2 2019 229 196 LYS HG3 H 1.524 0.02 2 2020 229 196 LYS C C 174.84 0.1 1 2021 229 196 LYS CA C 55.21 0.1 1 2022 229 196 LYS CB C 36.37 0.1 1 2023 229 196 LYS CD C 29.97 0.1 1 2024 229 196 LYS CE C 41.29 0.1 1 2025 229 196 LYS CG C 25.58 0.1 1 2026 229 196 LYS N N 123.17 0.2 1 2027 230 197 TRP H H 8.825 0.02 1 2028 230 197 TRP HA H 5.241 0.02 1 2029 230 197 TRP HB2 H 3.120 0.02 2 2030 230 197 TRP HB3 H 2.397 0.02 2 2031 230 197 TRP HD1 H 7.823 0.02 1 2032 230 197 TRP HE1 H 10.144 0.02 1 2033 230 197 TRP C C 175.77 0.1 1 2034 230 197 TRP CA C 57.99 0.1 1 2035 230 197 TRP CB C 35.15 0.1 1 2036 230 197 TRP N N 124.81 0.2 1 2037 230 197 TRP NE1 N 128.73 0.2 1 2038 231 198 TYR H H 9.033 0.02 1 2039 231 198 TYR HA H 5.871 0.02 1 2040 231 198 TYR HB2 H 1.926 0.02 2 2041 231 198 TYR HB3 H 1.807 0.02 2 2042 231 198 TYR C C 174.48 0.1 1 2043 231 198 TYR CA C 55.60 0.1 1 2044 231 198 TYR CB C 42.07 0.1 1 2045 231 198 TYR N N 116.45 0.2 1 2046 232 199 VAL H H 8.443 0.02 1 2047 232 199 VAL HA H 5.284 0.02 1 2048 232 199 VAL HB H 1.807 0.02 1 2049 232 199 VAL HG1 H 1.013 0.02 2 2050 232 199 VAL HG2 H 0.713 0.02 2 2051 232 199 VAL C C 176.36 0.1 1 2052 232 199 VAL CA C 59.19 0.1 1 2053 232 199 VAL CB C 34.06 0.1 1 2054 232 199 VAL CG1 C 22.80 0.1 2 2055 232 199 VAL CG2 C 20.01 0.1 2 2056 232 199 VAL N N 118.82 0.2 1 2057 233 200 ASP H H 10.064 0.02 1 2058 233 200 ASP HA H 4.305 0.02 1 2059 233 200 ASP HB2 H 3.013 0.02 2 2060 233 200 ASP HB3 H 2.964 0.02 2 2061 233 200 ASP C C 176.07 0.1 1 2062 233 200 ASP CA C 55.87 0.1 1 2063 233 200 ASP CB C 39.48 0.1 1 2064 233 200 ASP N N 126.82 0.2 1 2065 234 201 GLY H H 7.071 0.02 1 2066 234 201 GLY HA2 H 4.046 0.02 2 2067 234 201 GLY HA3 H 3.448 0.02 2 2068 234 201 GLY C C 173.38 0.1 1 2069 234 201 GLY CA C 45.51 0.1 1 2070 234 201 GLY N N 102.25 0.2 1 2071 235 202 THR H H 8.440 0.02 1 2072 235 202 THR HA H 4.461 0.02 1 2073 235 202 THR HB H 4.252 0.02 1 2074 235 202 THR HG2 H 1.333 0.02 1 2075 235 202 THR C C 173.90 0.1 1 2076 235 202 THR CA C 62.51 0.1 1 2077 235 202 THR CB C 70.35 0.1 1 2078 235 202 THR CG2 C 21.47 0.1 1 2079 235 202 THR N N 118.82 0.2 1 2080 236 203 PHE H H 8.709 0.02 1 2081 236 203 PHE HA H 5.522 0.02 1 2082 236 203 PHE HB2 H 3.382 0.02 2 2083 236 203 PHE HB3 H 3.075 0.02 2 2084 236 203 PHE C C 177.36 0.1 1 2085 236 203 PHE CA C 58.26 0.1 1 2086 236 203 PHE CB C 39.56 0.1 1 2087 236 203 PHE N N 127.08 0.2 1 2088 237 204 TYR H H 8.403 0.02 1 2089 237 204 TYR HA H 5.232 0.02 1 2090 237 204 TYR HB2 H 3.540 0.02 2 2091 237 204 TYR HB3 H 2.499 0.02 2 2092 237 204 TYR C C 173.07 0.1 1 2093 237 204 TYR CA C 56.27 0.1 1 2094 237 204 TYR CB C 41.63 0.1 1 2095 237 204 TYR N N 116.88 0.2 1 2096 238 205 HIS H H 7.305 0.02 1 2097 238 205 HIS HA H 5.326 0.02 1 2098 238 205 HIS HB2 H 2.606 0.02 2 2099 238 205 HIS HB3 H 2.252 0.02 2 2100 238 205 HIS C C 173.56 0.1 1 2101 238 205 HIS CA C 53.61 0.1 1 2102 238 205 HIS CB C 33.85 0.1 1 2103 238 205 HIS N N 119.51 0.2 1 2104 239 206 GLU HA H 5.745 0.02 1 2105 239 206 GLU HB2 H 2.227 0.02 2 2106 239 206 GLU HB3 H 2.008 0.02 2 2107 239 206 GLU HG2 H 2.128 0.02 2 2108 239 206 GLU HG3 H 1.994 0.02 2 2109 239 206 GLU C C 173.50 0.1 1 2110 239 206 GLU CA C 55.74 0.1 1 2111 239 206 GLU CB C 33.44 0.1 1 2112 239 206 GLU CG C 36.60 0.1 1 2113 240 207 VAL H H 8.940 0.02 1 2114 240 207 VAL HA H 4.936 0.02 1 2115 240 207 VAL HB H 1.940 0.02 1 2116 240 207 VAL HG1 H 1.115 0.02 2 2117 240 207 VAL HG2 H 0.902 0.02 2 2118 240 207 VAL C C 174.46 0.1 1 2119 240 207 VAL CA C 60.92 0.1 1 2120 240 207 VAL CB C 35.78 0.1 1 2121 240 207 VAL CG1 C 21.60 0.1 2 2122 240 207 VAL CG2 C 22.40 0.1 2 2123 240 207 VAL N N 123.24 0.2 1 2124 241 208 THR H H 8.021 0.02 1 2125 241 208 THR HA H 4.891 0.02 1 2126 241 208 THR HB H 4.645 0.02 1 2127 241 208 THR HG2 H 1.179 0.02 1 2128 241 208 THR C C 173.41 0.1 1 2129 241 208 THR CA C 58.92 0.1 1 2130 241 208 THR CB C 71.94 0.1 1 2131 241 208 THR CG2 C 21.87 0.1 1 2132 241 208 THR N N 114.46 0.2 1 2133 242 209 LYS H H 7.369 0.02 1 2134 242 209 LYS HA H 3.046 0.02 1 2135 242 209 LYS HB2 H 1.190 0.02 2 2136 242 209 LYS HB3 H -0.242 0.02 2 2137 242 209 LYS HD2 H 1.370 0.02 2 2138 242 209 LYS HD3 H 1.186 0.02 2 2139 242 209 LYS HE2 H 2.988 0.02 2 2140 242 209 LYS HE3 H 2.955 0.02 2 2141 242 209 LYS HG2 H 0.983 0.02 2 2142 242 209 LYS HG3 H 0.719 0.02 2 2143 242 209 LYS C C 177.07 0.1 1 2144 242 209 LYS CA C 59.32 0.1 1 2145 242 209 LYS CB C 33.54 0.1 1 2146 242 209 LYS CD C 30.48 0.1 1 2147 242 209 LYS CE C 42.19 0.1 1 2148 242 209 LYS CG C 24.11 0.1 1 2149 242 209 LYS N N 123.17 0.2 1 2150 243 210 GLU H H 8.274 0.02 1 2151 243 210 GLU HA H 3.975 0.02 1 2152 243 210 GLU HB2 H 1.946 0.02 2 2153 243 210 GLU HB3 H 1.882 0.02 2 2154 243 210 GLU HG2 H 2.266 0.02 2 2155 243 210 GLU HG3 H 2.232 0.02 2 2156 243 210 GLU C C 179.05 0.1 1 2157 243 210 GLU CA C 59.72 0.1 1 2158 243 210 GLU CB C 29.17 0.1 1 2159 243 210 GLU CG C 36.53 0.1 1 2160 243 210 GLU N N 116.69 0.2 1 2161 244 211 GLN H H 7.740 0.02 1 2162 244 211 GLN HA H 4.024 0.02 1 2163 244 211 GLN HB2 H 2.309 0.02 2 2164 244 211 GLN HB3 H 2.241 0.02 2 2165 244 211 GLN HE21 H 7.037 0.02 1 2166 244 211 GLN HE22 H 5.822 0.02 1 2167 244 211 GLN HG2 H 2.442 0.02 2 2168 244 211 GLN HG3 H 2.340 0.02 2 2169 244 211 GLN C C 178.41 0.1 1 2170 244 211 GLN CA C 58.53 0.1 1 2171 244 211 GLN CB C 28.39 0.1 1 2172 244 211 GLN CG C 33.53 0.1 1 2173 244 211 GLN N N 120.16 0.2 1 2174 244 211 GLN NE2 N 112.07 0.2 1 2175 245 212 VAL H H 7.607 0.02 1 2176 245 212 VAL HA H 3.647 0.02 1 2177 245 212 VAL HB H 2.280 0.02 1 2178 245 212 VAL HG1 H 1.058 0.02 2 2179 245 212 VAL HG2 H 0.831 0.02 2 2180 245 212 VAL C C 178.43 0.1 1 2181 245 212 VAL CA C 66.89 0.1 1 2182 245 212 VAL CB C 32.77 0.1 1 2183 245 212 VAL CG1 C 23.31 0.1 2 2184 245 212 VAL CG2 C 20.94 0.1 2 2185 245 212 VAL N N 119.81 0.2 1 2186 246 213 GLU H H 8.687 0.02 1 2187 246 213 GLU HA H 4.588 0.02 1 2188 246 213 GLU HB2 H 2.033 0.02 2 2189 246 213 GLU HB3 H 1.962 0.02 2 2190 246 213 GLU HG2 H 2.669 0.02 2 2191 246 213 GLU HG3 H 2.476 0.02 2 2192 246 213 GLU C C 181.88 0.1 1 2193 246 213 GLU CA C 59.19 0.1 1 2194 246 213 GLU CB C 28.88 0.1 1 2195 246 213 GLU CG C 37.33 0.1 1 2196 246 213 GLU N N 118.99 0.2 1 2197 247 214 ALA H H 8.149 0.02 1 2198 247 214 ALA HA H 4.165 0.02 1 2199 247 214 ALA HB H 1.511 0.02 1 2200 247 214 ALA C C 179.71 0.1 1 2201 247 214 ALA CA C 54.67 0.1 1 2202 247 214 ALA CB C 17.88 0.1 1 2203 247 214 ALA N N 123.18 0.2 1 2204 248 215 MET H H 7.275 0.02 1 2205 248 215 MET HA H 4.132 0.02 1 2206 248 215 MET HB2 H 2.154 0.02 2 2207 248 215 MET HB3 H 2.050 0.02 2 2208 248 215 MET HG2 H 2.891 0.02 2 2209 248 215 MET HG3 H 2.576 0.02 2 2210 248 215 MET C C 175.14 0.1 1 2211 248 215 MET CA C 56.67 0.1 1 2212 248 215 MET CB C 34.51 0.1 1 2213 248 215 MET CG C 32.36 0.1 1 2214 248 215 MET N N 115.08 0.2 1 2215 249 216 GLY H H 7.668 0.02 1 2216 249 216 GLY HA2 H 3.939 0.02 2 2217 249 216 GLY HA3 H 3.587 0.02 2 2218 249 216 GLY C C 173.78 0.1 1 2219 249 216 GLY CA C 44.31 0.1 1 2220 249 216 GLY N N 104.08 0.2 1 2221 250 217 TYR H H 7.152 0.02 1 2222 250 217 TYR HA H 5.370 0.02 1 2223 250 217 TYR HB2 H 3.775 0.02 2 2224 250 217 TYR HB3 H 2.548 0.02 2 2225 250 217 TYR C C 174.20 0.1 1 2226 250 217 TYR CA C 54.41 0.1 1 2227 250 217 TYR CB C 41.70 0.1 1 2228 250 217 TYR N N 119.18 0.2 1 2229 251 218 GLU H H 8.524 0.02 1 2230 251 218 GLU HA H 4.666 0.02 1 2231 251 218 GLU HB2 H 2.000 0.02 2 2232 251 218 GLU HB3 H 2.000 0.02 2 2233 251 218 GLU HG2 H 2.349 0.02 2 2234 251 218 GLU HG3 H 2.144 0.02 2 2235 251 218 GLU C C 176.61 0.1 1 2236 251 218 GLU CA C 55.34 0.1 1 2237 251 218 GLU CB C 31.93 0.1 1 2238 251 218 GLU CG C 36.08 0.1 1 2239 251 218 GLU N N 118.72 0.2 1 2240 252 219 TRP H H 9.742 0.02 1 2241 252 219 TRP HA H 4.654 0.02 1 2242 252 219 TRP HB2 H 3.610 0.02 2 2243 252 219 TRP HB3 H 3.213 0.02 2 2244 252 219 TRP HD1 H 7.445 0.02 1 2245 252 219 TRP HE1 H 10.693 0.02 1 2246 252 219 TRP C C 176.03 0.1 1 2247 252 219 TRP CA C 57.99 0.1 1 2248 252 219 TRP CB C 31.30 0.1 1 2249 252 219 TRP N N 127.78 0.2 1 2250 252 219 TRP NE1 N 130.38 0.2 1 2251 253 220 VAL H H 5.205 0.02 1 2252 253 220 VAL HA H 4.734 0.02 1 2253 253 220 VAL HB H 2.230 0.02 1 2254 253 220 VAL HG1 H 0.675 0.02 2 2255 253 220 VAL HG2 H -0.202 0.02 2 2256 253 220 VAL C C 174.38 0.1 1 2257 253 220 VAL CA C 60.12 0.1 1 2258 253 220 VAL CB C 31.04 0.1 1 2259 253 220 VAL CG1 C 20.80 0.1 2 2260 253 220 VAL CG2 C 16.95 0.1 2 2261 253 220 VAL N N 115.08 0.2 1 2262 254 221 PHE H H 4.819 0.02 1 2263 254 221 PHE HA H 4.749 0.02 1 2264 254 221 PHE HB2 H 3.122 0.02 2 2265 254 221 PHE HB3 H 1.881 0.02 2 2266 254 221 PHE C C 173.31 0.1 1 2267 254 221 PHE CA C 57.46 0.1 1 2268 254 221 PHE CB C 37.75 0.1 1 2269 254 221 PHE N N 116.08 0.2 1 2270 255 222 ASP H H 8.540 0.02 1 2271 255 222 ASP HA H 4.981 0.02 1 2272 255 222 ASP HB2 H 3.084 0.02 2 2273 255 222 ASP HB3 H 2.958 0.02 2 2274 255 222 ASP C C 174.41 0.1 1 2275 255 222 ASP CA C 52.68 0.1 1 2276 255 222 ASP CB C 39.62 0.1 1 2277 255 222 ASP N N 119.29 0.2 1 2278 256 223 LYS H H 7.309 0.02 1 2279 256 223 LYS HA H 4.806 0.02 1 2280 256 223 LYS HB2 H 2.232 0.02 2 2281 256 223 LYS HB3 H 1.710 0.02 2 2282 256 223 LYS HD2 H 1.833 0.02 9 2283 256 223 LYS HD3 H 1.607 0.02 2 2284 256 223 LYS HE2 H 3.097 0.02 2 2285 256 223 LYS HE3 H 2.901 0.02 2 2286 256 223 LYS HG2 H 1.709 0.02 9 2287 256 223 LYS HG3 H 1.452 0.02 2 2288 256 223 LYS C C 172.03 0.1 1 2289 256 223 LYS CA C 54.81 0.1 1 2290 256 223 LYS CB C 33.98 0.1 1 2291 256 223 LYS CD C 29.05 0.1 1 2292 256 223 LYS CE C 42.61 0.1 1 2293 256 223 LYS CG C 24.64 0.1 1 2294 256 223 LYS N N 119.07 0.2 1 2295 257 224 PRO HA H 5.226 0.02 1 2296 257 224 PRO HB2 H 1.992 0.02 2 2297 257 224 PRO HB3 H 1.761 0.02 2 2298 257 224 PRO HD2 H 3.723 0.02 2 2299 257 224 PRO HD3 H 3.585 0.02 2 2300 257 224 PRO HG2 H 2.020 0.02 2 2301 257 224 PRO HG3 H 1.820 0.02 2 2302 257 224 PRO C C 178.08 0.1 1 2303 257 224 PRO CA C 62.91 0.1 1 2304 257 224 PRO CB C 31.75 0.1 1 2305 257 224 PRO CD C 50.69 0.1 1 2306 257 224 PRO CG C 28.23 0.1 1 2307 258 225 PHE H H 9.529 0.02 1 2308 258 225 PHE HA H 5.302 0.02 1 2309 258 225 PHE HB2 H 3.355 0.02 2 2310 258 225 PHE HB3 H 2.709 0.02 2 2311 258 225 PHE C C 174.48 0.1 1 2312 258 225 PHE CA C 56.80 0.1 1 2313 258 225 PHE CB C 44.52 0.1 1 2314 258 225 PHE N N 123.94 0.2 1 2315 259 226 TYR H H 8.599 0.02 1 2316 259 226 TYR HA H 5.195 0.02 1 2317 259 226 TYR HB2 H 3.324 0.02 2 2318 259 226 TYR HB3 H 2.672 0.02 2 2319 259 226 TYR C C 173.52 0.1 1 2320 259 226 TYR CA C 54.81 0.1 1 2321 259 226 TYR CB C 39.96 0.1 1 2322 259 226 TYR N N 115.42 0.2 1 2323 260 227 ILE H H 7.968 0.02 1 2324 260 227 ILE HA H 4.498 0.02 1 2325 260 227 ILE HB H 1.796 0.02 1 2326 260 227 ILE HD1 H 0.839 0.02 1 2327 260 227 ILE HG12 H 1.761 0.02 2 2328 260 227 ILE HG13 H 0.990 0.02 2 2329 260 227 ILE HG2 H 1.315 0.02 1 2330 260 227 ILE C C 174.36 0.1 1 2331 260 227 ILE CA C 62.38 0.1 1 2332 260 227 ILE CB C 41.14 0.1 1 2333 260 227 ILE CD1 C 14.96 0.1 1 2334 260 227 ILE CG1 C 29.55 0.1 1 2335 260 227 ILE CG2 C 18.28 0.1 1 2336 260 227 ILE N N 118.73 0.2 1 2337 261 228 ILE H H 9.182 0.02 1 2338 261 228 ILE HA H 5.145 0.02 1 2339 261 228 ILE HB H -0.446 0.02 1 2340 261 228 ILE HD1 H -0.530 0.02 1 2341 261 228 ILE HG12 H 1.043 0.02 2 2342 261 228 ILE HG13 H 0.293 0.02 2 2343 261 228 ILE HG2 H 0.423 0.02 1 2344 261 228 ILE C C 174.51 0.1 1 2345 261 228 ILE CA C 61.18 0.1 1 2346 261 228 ILE CB C 40.34 0.1 1 2347 261 228 ILE CD1 C 15.09 0.1 1 2348 261 228 ILE CG1 C 29.30 0.1 1 2349 261 228 ILE CG2 C 20.54 0.1 1 2350 261 228 ILE N N 126.69 0.2 1 2351 262 229 LEU H H 8.683 0.02 1 2352 262 229 LEU HA H 5.345 0.02 1 2353 262 229 LEU HB2 H 1.469 0.02 2 2354 262 229 LEU HB3 H 1.149 0.02 2 2355 262 229 LEU HD1 H 0.790 0.02 2 2356 262 229 LEU HD2 H 0.640 0.02 2 2357 262 229 LEU HG H 1.794 0.02 1 2358 262 229 LEU C C 175.84 0.1 1 2359 262 229 LEU CA C 53.61 0.1 1 2360 262 229 LEU CB C 47.90 0.1 1 2361 262 229 LEU CD1 C 25.19 0.1 2 2362 262 229 LEU CD2 C 26.38 0.1 2 2363 262 229 LEU CG C 27.05 0.1 1 2364 262 229 LEU N N 124.21 0.2 1 2365 263 230 ASN H H 8.476 0.02 1 2366 263 230 ASN HA H 5.062 0.02 1 2367 263 230 ASN HB2 H 2.469 0.02 2 2368 263 230 ASN HB3 H 2.324 0.02 2 2369 263 230 ASN C C 170.42 0.1 1 2370 263 230 ASN CA C 54.14 0.1 1 2371 263 230 ASN CB C 42.51 0.1 1 2372 263 230 ASN N N 113.75 0.2 1 2373 264 231 LEU H H 6.687 0.02 1 2374 264 231 LEU HA H 4.646 0.02 1 2375 264 231 LEU HB2 H 1.913 0.02 2 2376 264 231 LEU HB3 H 1.381 0.02 2 2377 264 231 LEU HD1 H 0.870 0.02 2 2378 264 231 LEU HD2 H 0.859 0.02 2 2379 264 231 LEU HG H 1.496 0.02 1 2380 264 231 LEU C C 174.18 0.1 1 2381 264 231 LEU CA C 54.54 0.1 1 2382 264 231 LEU CB C 43.78 0.1 1 2383 264 231 LEU CD1 C 27.58 0.1 2 2384 264 231 LEU CD2 C 24.92 0.1 2 2385 264 231 LEU CG C 27.47 0.1 1 2386 264 231 LEU N N 119.01 0.2 1 2387 265 232 ALA H H 7.776 0.02 1 2388 265 232 ALA HA H 4.221 0.02 1 2389 265 232 ALA HB H 1.234 0.02 1 2390 265 232 ALA C C 175.49 0.1 1 2391 265 232 ALA CA C 51.62 0.1 1 2392 265 232 ALA CB C 19.57 0.1 1 2393 265 232 ALA N N 130.49 0.2 1 2394 266 233 VAL H H 8.546 0.02 1 2395 266 233 VAL HA H 4.475 0.02 1 2396 266 233 VAL HB H 1.694 0.02 1 2397 266 233 VAL HG1 H 0.797 0.02 2 2398 266 233 VAL HG2 H 0.192 0.02 2 2399 266 233 VAL C C 174.50 0.1 1 2400 266 233 VAL CA C 61.71 0.1 1 2401 266 233 VAL CB C 33.58 0.1 1 2402 266 233 VAL CG1 C 20.28 0.1 2 2403 266 233 VAL CG2 C 21.87 0.1 2 2404 266 233 VAL N N 118.71 0.2 1 2405 267 234 GLY H H 9.179 0.02 1 2406 267 234 GLY HA2 H 4.420 0.02 2 2407 267 234 GLY HA3 H 3.970 0.02 2 2408 267 234 GLY C C 169.39 0.1 1 2409 267 234 GLY CA C 43.52 0.1 1 2410 267 234 GLY N N 112.84 0.2 1 2411 268 235 GLY H H 6.624 0.02 1 2412 268 235 GLY HA2 H 4.576 0.02 2 2413 268 235 GLY HA3 H 3.628 0.02 2 2414 268 235 GLY C C 176.13 0.1 1 2415 268 235 GLY CA C 42.99 0.1 1 2416 268 235 GLY N N 98.56 0.2 1 2417 269 236 TYR H H 7.764 0.02 1 2418 269 236 TYR HA H 4.289 0.02 1 2419 269 236 TYR HB2 H 3.059 0.02 2 2420 269 236 TYR HB3 H 2.809 0.02 2 2421 269 236 TYR C C 177.47 0.1 1 2422 269 236 TYR CA C 59.72 0.1 1 2423 269 236 TYR CB C 37.19 0.1 1 2424 269 236 TYR N N 119.02 0.2 1 2425 270 237 TRP H H 7.884 0.02 1 2426 270 237 TRP HA H 4.641 0.02 1 2427 270 237 TRP HB2 H 2.407 0.02 2 2428 270 237 TRP HB3 H 2.328 0.02 2 2429 270 237 TRP HD1 H 6.910 0.02 1 2430 270 237 TRP HE1 H 9.618 0.02 1 2431 270 237 TRP C C 173.52 0.1 1 2432 270 237 TRP CA C 58.13 0.1 1 2433 270 237 TRP CB C 26.32 0.1 1 2434 270 237 TRP N N 117.29 0.2 1 2435 270 237 TRP NE1 N 128.02 0.2 1 2436 271 238 PRO HA H 3.788 0.02 1 2437 271 238 PRO HB2 H 1.577 0.02 2 2438 271 238 PRO HB3 H 1.480 0.02 2 2439 271 238 PRO HD2 H 2.824 0.02 2 2440 271 238 PRO HD3 H 1.901 0.02 2 2441 271 238 PRO HG2 H 1.809 0.02 9 2442 271 238 PRO HG3 H 1.495 0.02 2 2443 271 238 PRO C C 178.62 0.1 1 2444 271 238 PRO CA C 64.90 0.1 1 2445 271 238 PRO CB C 31.42 0.1 1 2446 271 238 PRO CD C 49.22 0.1 1 2447 271 238 PRO CG C 26.87 0.1 1 2448 272 239 GLY H H 7.069 0.02 1 2449 272 239 GLY HA2 H 3.938 0.02 2 2450 272 239 GLY HA3 H 3.694 0.02 2 2451 272 239 GLY C C 170.83 0.1 1 2452 272 239 GLY CA C 43.91 0.1 1 2453 272 239 GLY N N 105.80 0.2 1 2454 273 240 ASN H H 7.736 0.02 1 2455 273 240 ASN HA H 5.025 0.02 1 2456 273 240 ASN HB2 H 2.800 0.02 2 2457 273 240 ASN HB3 H 2.585 0.02 2 2458 273 240 ASN C C 174.22 0.1 1 2459 273 240 ASN CA C 51.22 0.1 1 2460 273 240 ASN CB C 37.98 0.1 1 2461 273 240 ASN N N 113.28 0.2 1 2462 274 241 PRO HA H 4.363 0.02 1 2463 274 241 PRO HB2 H 2.333 0.02 2 2464 274 241 PRO HB3 H 2.080 0.02 2 2465 274 241 PRO HD2 H 3.523 0.02 2 2466 274 241 PRO HD3 H 3.435 0.02 2 2467 274 241 PRO HG2 H 1.805 0.02 2 2468 274 241 PRO HG3 H 1.557 0.02 2 2469 274 241 PRO C C 175.02 0.1 1 2470 274 241 PRO CA C 63.04 0.1 1 2471 274 241 PRO CB C 32.35 0.1 1 2472 274 241 PRO CD C 49.87 0.1 1 2473 274 241 PRO CG C 27.31 0.1 1 2474 275 242 ASP H H 8.076 0.02 1 2475 275 242 ASP HA H 4.853 0.02 1 2476 275 242 ASP HB2 H 3.169 0.02 2 2477 275 242 ASP HB3 H 2.590 0.02 2 2478 275 242 ASP C C 177.33 0.1 1 2479 275 242 ASP CA C 52.42 0.1 1 2480 275 242 ASP CB C 42.63 0.1 1 2481 275 242 ASP N N 120.77 0.2 1 2482 276 243 ALA HA H 4.277 0.02 1 2483 276 243 ALA HB H 1.487 0.02 1 2484 276 243 ALA C C 178.62 0.1 1 2485 276 243 ALA CA C 54.54 0.1 1 2486 276 243 ALA CB C 18.68 0.1 1 2487 277 244 THR H H 8.756 0.02 1 2488 277 244 THR HA H 4.315 0.02 1 2489 277 244 THR HB H 4.352 0.02 1 2490 277 244 THR HG2 H 1.219 0.02 1 2491 277 244 THR C C 175.66 0.1 1 2492 277 244 THR CA C 62.24 0.1 1 2493 277 244 THR CB C 69.82 0.1 1 2494 277 244 THR CG2 C 21.60 0.1 1 2495 277 244 THR N N 108.29 0.2 1 2496 278 245 THR H H 7.774 0.02 1 2497 278 245 THR HA H 4.121 0.02 1 2498 278 245 THR HB H 4.238 0.02 1 2499 278 245 THR HG2 H 0.698 0.02 1 2500 278 245 THR C C 171.74 0.1 1 2501 278 245 THR CA C 63.31 0.1 1 2502 278 245 THR CB C 69.42 0.1 1 2503 278 245 THR CG2 C 22.00 0.1 1 2504 278 245 THR N N 124.14 0.2 1 2505 279 246 PRO HA H 4.559 0.02 1 2506 279 246 PRO HB2 H 2.198 0.02 2 2507 279 246 PRO HB3 H 1.966 0.02 2 2508 279 246 PRO HD2 H 4.352 0.02 2 2509 279 246 PRO HD3 H 3.636 0.02 2 2510 279 246 PRO HG2 H 2.133 0.02 2 2511 279 246 PRO HG3 H 1.911 0.02 2 2512 279 246 PRO C C 174.55 0.1 1 2513 279 246 PRO CA C 62.51 0.1 1 2514 279 246 PRO CB C 31.16 0.1 1 2515 279 246 PRO CD C 51.62 0.1 1 2516 279 246 PRO CG C 27.37 0.1 1 2517 280 247 PHE H H 7.750 0.02 1 2518 280 247 PHE HA H 4.620 0.02 1 2519 280 247 PHE HB2 H 3.195 0.02 2 2520 280 247 PHE HB3 H 2.759 0.02 2 2521 280 247 PHE C C 174.67 0.1 1 2522 280 247 PHE CA C 56.13 0.1 1 2523 280 247 PHE CB C 42.03 0.1 1 2524 280 247 PHE N N 118.32 0.2 1 2525 281 248 PRO HA H 5.222 0.02 1 2526 281 248 PRO HB2 H 2.493 0.02 2 2527 281 248 PRO HB3 H 1.928 0.02 2 2528 281 248 PRO HD2 H 3.660 0.02 2 2529 281 248 PRO HD3 H 3.660 0.02 2 2530 281 248 PRO HG2 H 2.025 0.02 2 2531 281 248 PRO HG3 H 1.942 0.02 2 2532 281 248 PRO C C 174.89 0.1 1 2533 281 248 PRO CA C 62.91 0.1 1 2534 281 248 PRO CB C 35.28 0.1 1 2535 281 248 PRO CD C 50.68 0.1 1 2536 281 248 PRO CG C 25.24 0.1 1 2537 282 249 ALA H H 9.046 0.02 1 2538 282 249 ALA HA H 4.792 0.02 1 2539 282 249 ALA HB H 1.297 0.02 1 2540 282 249 ALA C C 175.88 0.1 1 2541 282 249 ALA CA C 50.56 0.1 1 2542 282 249 ALA CB C 23.46 0.1 1 2543 282 249 ALA N N 127.41 0.2 1 2544 283 250 LYS H H 8.442 0.02 1 2545 283 250 LYS HA H 5.035 0.02 1 2546 283 250 LYS HB2 H 1.532 0.02 2 2547 283 250 LYS HB3 H 1.327 0.02 2 2548 283 250 LYS HD2 H 1.593 0.02 2 2549 283 250 LYS HD3 H 1.552 0.02 2 2550 283 250 LYS HE2 H 2.994 0.02 2 2551 283 250 LYS HE3 H 2.911 0.02 2 2552 283 250 LYS HG2 H 1.239 0.02 2 2553 283 250 LYS HG3 H 1.239 0.02 2 2554 283 250 LYS C C 174.34 0.1 1 2555 283 250 LYS CA C 55.74 0.1 1 2556 283 250 LYS CB C 34.85 0.1 1 2557 283 250 LYS CD C 29.68 0.1 1 2558 283 250 LYS CE C 42.00 0.1 1 2559 283 250 LYS CG C 25.17 0.1 1 2560 283 250 LYS N N 119.50 0.2 1 2561 284 251 MET H H 9.117 0.02 1 2562 284 251 MET HA H 4.668 0.02 1 2563 284 251 MET HB2 H 2.176 0.02 2 2564 284 251 MET HB3 H 1.584 0.02 2 2565 284 251 MET HG2 H 2.175 0.02 2 2566 284 251 MET HG3 H 2.073 0.02 2 2567 284 251 MET C C 172.81 0.1 1 2568 284 251 MET CA C 55.21 0.1 1 2569 284 251 MET CB C 35.78 0.1 1 2570 284 251 MET CG C 32.50 0.1 1 2571 284 251 MET N N 125.48 0.2 1 2572 285 252 VAL H H 8.329 0.02 1 2573 285 252 VAL HA H 4.907 0.02 9 2574 285 252 VAL HB H 1.807 0.02 9 2575 285 252 VAL HG1 H 1.059 0.02 2 2576 285 252 VAL HG2 H 0.726 0.02 2 2577 285 252 VAL C C 174.55 0.1 1 2578 285 252 VAL CA C 61.18 0.1 1 2579 285 252 VAL CB C 33.43 0.1 1 2580 285 252 VAL CG1 C 22.40 0.1 2 2581 285 252 VAL CG2 C 20.27 0.1 2 2582 285 252 VAL N N 126.15 0.2 1 2583 286 253 VAL H H 9.947 0.02 1 2584 286 253 VAL HA H 4.666 0.02 1 2585 286 253 VAL HB H 1.893 0.02 1 2586 286 253 VAL HG1 H 0.770 0.02 2 2587 286 253 VAL HG2 H 0.633 0.02 2 2588 286 253 VAL C C 175.12 0.1 1 2589 286 253 VAL CA C 60.52 0.1 1 2590 286 253 VAL CB C 33.02 0.1 1 2591 286 253 VAL CG1 C 22.00 0.1 2 2592 286 253 VAL CG2 C 20.27 0.1 2 2593 286 253 VAL N N 128.26 0.2 1 2594 287 254 ASP H H 9.374 0.02 1 2595 287 254 ASP HA H 4.859 0.02 1 2596 287 254 ASP HB2 H 2.275 0.02 2 2597 287 254 ASP HB3 H 2.211 0.02 2 2598 287 254 ASP C C 177.79 0.1 1 2599 287 254 ASP CA C 55.47 0.1 1 2600 287 254 ASP CB C 42.55 0.1 1 2601 287 254 ASP N N 124.68 0.2 1 2602 288 255 TYR H H 7.225 0.02 1 2603 288 255 TYR HA H 5.463 0.02 1 2604 288 255 TYR HB2 H 3.465 0.02 2 2605 288 255 TYR HB3 H 2.790 0.02 2 2606 288 255 TYR C C 173.88 0.1 1 2607 288 255 TYR CA C 56.27 0.1 1 2608 288 255 TYR CB C 39.85 0.1 1 2609 288 255 TYR N N 112.00 0.2 1 2610 289 256 VAL H H 8.374 0.02 1 2611 289 256 VAL HA H 5.080 0.02 1 2612 289 256 VAL HB H 2.271 0.02 1 2613 289 256 VAL HG1 H 1.462 0.02 2 2614 289 256 VAL HG2 H 1.335 0.02 2 2615 289 256 VAL C C 174.50 0.1 1 2616 289 256 VAL CA C 62.64 0.1 1 2617 289 256 VAL CB C 35.02 0.1 1 2618 289 256 VAL CG1 C 22.40 0.1 2 2619 289 256 VAL CG2 C 21.60 0.1 2 2620 289 256 VAL N N 117.39 0.2 1 2621 290 257 ARG H H 9.935 0.02 1 2622 290 257 ARG HA H 4.681 0.02 1 2623 290 257 ARG HB2 H 1.621 0.02 2 2624 290 257 ARG HB3 H 1.560 0.02 2 2625 290 257 ARG HD2 H 2.806 0.02 2 2626 290 257 ARG HD3 H 2.345 0.02 9 2627 290 257 ARG HG2 H 1.509 0.02 2 2628 290 257 ARG HG3 H 1.372 0.02 2 2629 290 257 ARG C C 173.17 0.1 1 2630 290 257 ARG CA C 55.87 0.1 1 2631 290 257 ARG CB C 37.17 0.1 1 2632 290 257 ARG CD C 43.80 0.1 1 2633 290 257 ARG CG C 27.41 0.1 1 2634 290 257 ARG N N 126.20 0.2 1 2635 291 258 VAL H H 8.709 0.02 1 2636 291 258 VAL HA H 5.474 0.02 1 2637 291 258 VAL HB H 1.793 0.02 1 2638 291 258 VAL HG1 H 0.634 0.02 2 2639 291 258 VAL HG2 H 0.515 0.02 2 2640 291 258 VAL C C 174.51 0.1 1 2641 291 258 VAL CA C 61.05 0.1 1 2642 291 258 VAL CB C 34.89 0.1 1 2643 291 258 VAL CG1 C 22.00 0.1 2 2644 291 258 VAL CG2 C 20.54 0.1 2 2645 291 258 VAL N N 119.12 0.2 1 2646 292 259 TYR H H 9.403 0.02 1 2647 292 259 TYR HA H 5.315 0.02 1 2648 292 259 TYR HB2 H 2.982 0.02 2 2649 292 259 TYR HB3 H 2.677 0.02 2 2650 292 259 TYR C C 175.43 0.1 1 2651 292 259 TYR CA C 55.87 0.1 1 2652 292 259 TYR CB C 43.14 0.1 1 2653 292 259 TYR N N 126.03 0.2 1 2654 293 260 SER H H 9.893 0.02 1 2655 293 260 SER HA H 5.462 0.02 1 2656 293 260 SER HB2 H 4.158 0.02 2 2657 293 260 SER HB3 H 3.893 0.02 2 2658 293 260 SER C C 174.62 0.1 1 2659 293 260 SER CA C 57.33 0.1 1 2660 293 260 SER CB C 66.10 0.1 1 2661 293 260 SER N N 114.95 0.2 1 2662 294 261 PHE H H 7.345 0.02 1 2663 294 261 PHE HA H 4.019 0.02 1 2664 294 261 PHE HB2 H 2.736 0.02 2 2665 294 261 PHE HB3 H 2.696 0.02 2 2666 294 261 PHE C C 174.56 0.1 1 2667 294 261 PHE CA C 58.39 0.1 1 2668 294 261 PHE CB C 39.86 0.1 1 2669 294 261 PHE N N 125.45 0.2 1 2670 295 262 VAL H H 7.799 0.02 1 2671 295 262 VAL HA H 3.935 0.02 1 2672 295 262 VAL HB H 1.666 0.02 1 2673 295 262 VAL HG1 H 0.801 0.02 2 2674 295 262 VAL HG2 H 0.768 0.02 2 2675 295 262 VAL C C 174.07 0.1 1 2676 295 262 VAL CA C 62.51 0.1 1 2677 295 262 VAL CB C 33.04 0.1 1 2678 295 262 VAL CG1 C 21.33 0.1 2 2679 295 262 VAL CG2 C 21.07 0.1 2 2680 295 262 VAL N N 125.93 0.2 1 2681 296 263 SER H H 7.337 0.02 1 2682 296 263 SER HA H 4.141 0.02 1 2683 296 263 SER HB2 H 3.757 0.02 2 2684 296 263 SER HB3 H 3.660 0.02 2 2685 296 263 SER C C 172.84 0.1 1 2686 296 263 SER CA C 58.13 0.1 1 2687 296 263 SER CB C 64.33 0.1 1 2688 296 263 SER N N 116.33 0.2 1 2689 297 264 GLY H H 7.662 0.02 1 2690 297 264 GLY HA2 H 3.834 0.02 2 2691 297 264 GLY HA3 H 3.770 0.02 2 2692 297 264 GLY C C 178.47 0.1 1 2693 297 264 GLY CA C 46.17 0.1 1 2694 297 264 GLY N N 116.16 0.2 1 stop_ save_ save_cs-pfLamA_(50%_Ca2+)_15N_13C-labelled_second_conformer _Saveframe_category assigned_chemical_shifts _Details ; As explained above, this is the second chemical shift list due to conformation exchange calcium-containing and non calcium-containing conformers. ; loop_ _Software_label $xwinnmr $NEASY_CARA $NMRPipe $SPARKY $PACES stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CNH NOESY' '3D HN(CO)CA' '3D HNCA' stop_ loop_ _Sample_label $pfLamA_(50%_Ca2+)_15N-labelled $pfLamA_(50%_Ca2+)_15N_13C-labelled $pfLamA_(50%_Ca2+)_non-labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name enzym _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 51 18 HIS H H 6.978 0.02 1 2 54 21 PHE HA H 3.996 0.02 1 3 54 21 PHE C C 173.61 0.1 1 4 55 22 GLU H H 7.552 0.02 1 5 55 22 GLU HA H 4.440 0.02 1 6 55 22 GLU HB3 H 1.840 0.02 1 7 55 22 GLU C C 177.71 0.1 1 8 56 23 GLY H H 7.910 0.02 1 9 56 23 GLY N N 107.90 0.2 1 10 64 31 TRP HE1 H 12.045 0.02 1 11 64 31 TRP NE1 N 131.33 0.2 1 12 76 43 ILE HG13 H 0.765 0.02 1 13 93 60 TYR H H 8.634 0.02 1 14 93 60 TYR N N 121.11 0.2 1 15 97 64 GLY H H 8.474 0.02 1 16 97 64 GLY N N 104.83 0.2 1 17 99 66 LEU H H 8.465 0.02 1 18 99 66 LEU N N 124.50 0.2 1 19 100 67 VAL H H 8.919 0.02 1 20 100 67 VAL N N 127.60 0.2 1 21 101 68 ILE HD1 H 0.501 0.02 1 22 140 107 ARG H H 6.495 0.02 1 23 140 107 ARG HD2 H 3.220 0.02 1 24 140 107 ARG N N 122.25 0.2 1 25 141 108 ILE H H 9.128 0.02 1 26 141 108 ILE N N 125.72 0.2 1 27 188 155 VAL N N 119.19 0.2 1 28 219 186 PHE H H 8.956 0.02 1 29 219 186 PHE N N 125.01 0.2 1 30 256 223 LYS HD2 H 1.662 0.02 1 31 256 223 LYS HG2 H 1.540 0.02 1 32 271 238 PRO HG2 H 2.038 0.02 1 33 285 252 VAL HA H 4.889 0.02 1 34 285 252 VAL HB H 1.821 0.02 1 35 286 253 VAL H H 9.928 0.02 1 36 286 253 VAL N N 128.82 0.2 1 37 289 256 VAL H H 8.340 0.02 1 38 289 256 VAL N N 116.80 0.2 1 39 290 257 ARG HD3 H 2.368 0.02 1 stop_ save_ save_pfLamA_(100%_Ca2+)__15N_13C-labelled _Saveframe_category assigned_chemical_shifts _Details ; Larger error limits for chemical shifts of the amide protons of G127, D211 and W252. Chemical shifts of these amide protons change slowly over time during a 3D NMR experiment (relative to a 2D 15N-1H HSQC spectrum); this shift is probably caused by the gradual increase in salt and protein concentration due to evaporation of solvent from the NMR sample at the high temperature used during the experiments. ; loop_ _Software_label $xwinnmr $NEASY_CARA $NMRPipe $SPARKY $PACES stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $pfLamA_(100%_Ca2+)_15N_13C-labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name enzym _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 36 3 PRO C C 176.48 0.1 1 2 36 3 PRO CA C 62.41 0.1 1 3 36 3 PRO CB C 30.96 0.1 1 4 37 4 GLU H H 8.521 0.02 1 5 37 4 GLU C C 175.46 0.1 1 6 37 4 GLU CA C 58.09 0.1 1 7 37 4 GLU CB C 30.26 0.1 1 8 37 4 GLU N N 125.93 0.2 1 9 38 5 VAL H H 7.483 0.02 1 10 38 5 VAL C C 175.53 0.1 1 11 38 5 VAL CA C 59.98 0.1 1 12 38 5 VAL CB C 35.08 0.1 1 13 38 5 VAL N N 116.16 0.2 1 14 39 6 ILE H H 8.549 0.02 1 15 39 6 ILE C C 173.65 0.1 1 16 39 6 ILE CA C 59.17 0.1 1 17 39 6 ILE CB C 42.72 0.1 1 18 39 6 ILE N N 118.67 0.2 1 19 40 7 GLU H H 8.047 0.02 1 20 40 7 GLU C C 175.78 0.1 1 21 40 7 GLU CA C 54.38 0.1 1 22 40 7 GLU CB C 30.61 0.1 1 23 40 7 GLU N N 121.65 0.2 1 24 41 8 ILE H H 8.586 0.02 1 25 41 8 ILE C C 175.59 0.1 1 26 41 8 ILE CA C 61.38 0.1 1 27 41 8 ILE CB C 40.49 0.1 1 28 41 8 ILE N N 122.74 0.2 1 29 42 9 ASP H H 9.532 0.02 1 30 42 9 ASP C C 175.59 0.1 1 31 42 9 ASP CA C 55.23 0.1 1 32 42 9 ASP CB C 42.18 0.1 1 33 42 9 ASP N N 128.31 0.2 1 34 43 10 GLY H H 8.641 0.02 1 35 43 10 GLY C C 173.83 0.1 1 36 43 10 GLY CA C 45.64 0.1 1 37 43 10 GLY N N 103.30 0.2 1 38 44 11 LYS H H 7.636 0.02 1 39 44 11 LYS C C 173.50 0.1 1 40 44 11 LYS CA C 53.98 0.1 1 41 44 11 LYS CB C 35.89 0.1 1 42 44 11 LYS N N 119.55 0.2 1 43 45 12 GLN H H 8.070 0.02 1 44 45 12 GLN HE21 H 7.197 0.02 1 45 45 12 GLN HE22 H 6.490 0.02 1 46 45 12 GLN C C 174.78 0.1 1 47 45 12 GLN CA C 55.08 0.1 1 48 45 12 GLN CB C 30.90 0.1 1 49 45 12 GLN N N 118.06 0.2 1 50 45 12 GLN NE2 N 110.11 0.2 1 51 46 13 TRP H H 8.706 0.02 1 52 46 13 TRP HE1 H 9.805 0.02 1 53 46 13 TRP C C 174.74 0.1 1 54 46 13 TRP CA C 55.46 0.1 1 55 46 13 TRP CB C 31.38 0.1 1 56 46 13 TRP N N 121.60 0.2 1 57 46 13 TRP NE1 N 130.88 0.02 1 58 47 14 ARG H H 9.537 0.02 1 59 47 14 ARG C C 175.97 0.1 1 60 47 14 ARG CA C 53.89 0.1 1 61 47 14 ARG CB C 33.75 0.1 1 62 47 14 ARG N N 121.56 0.2 1 63 48 15 LEU H H 8.968 0.02 1 64 48 15 LEU C C 176.44 0.1 1 65 48 15 LEU CA C 56.85 0.1 1 66 48 15 LEU CB C 42.74 0.1 1 67 48 15 LEU N N 129.11 0.2 1 68 49 16 ILE H H 8.821 0.02 1 69 49 16 ILE C C 175.53 0.1 1 70 49 16 ILE CA C 61.03 0.1 1 71 49 16 ILE CB C 41.16 0.1 1 72 49 16 ILE N N 120.71 0.2 1 73 50 17 TRP H H 7.797 0.02 1 74 50 17 TRP HE1 H 6.059 0.02 1 75 50 17 TRP C C 173.06 0.1 1 76 50 17 TRP CA C 58.52 0.1 1 77 50 17 TRP CB C 31.18 0.1 1 78 50 17 TRP N N 122.28 0.2 1 79 50 17 TRP NE1 N 125.29 0.02 1 80 51 18 HIS H H 7.046 0.02 1 81 51 18 HIS C C 170.16 0.1 1 82 51 18 HIS CA C 53.58 0.1 1 83 51 18 HIS CB C 32.12 0.1 1 84 51 18 HIS N N 119.26 0.2 1 85 52 19 ASP H H 8.010 0.02 1 86 52 19 ASP C C 175.23 0.1 1 87 52 19 ASP CA C 53.91 0.1 1 88 52 19 ASP CB C 43.11 0.1 1 89 52 19 ASP N N 116.69 0.2 1 90 53 20 GLU H H 8.077 0.02 1 91 53 20 GLU C C 177.04 0.1 1 92 53 20 GLU CA C 54.31 0.1 1 93 53 20 GLU CB C 28.65 0.1 1 94 53 20 GLU N N 120.70 0.2 1 95 54 21 PHE H H 9.069 0.02 1 96 54 21 PHE C C 172.57 0.1 1 97 54 21 PHE CA C 59.84 0.1 1 98 54 21 PHE CB C 35.43 0.1 1 99 54 21 PHE N N 120.19 0.2 1 100 55 22 GLU H H 7.623 0.02 1 101 55 22 GLU C C 177.31 0.1 1 102 55 22 GLU CA C 55.42 0.1 1 103 55 22 GLU CB C 30.33 0.1 1 104 55 22 GLU N N 112.31 0.2 1 105 56 23 GLY H H 7.859 0.02 1 106 56 23 GLY C C 173.10 0.1 1 107 56 23 GLY CA C 44.70 0.1 1 108 56 23 GLY N N 107.62 0.2 1 109 57 24 SER H H 8.425 0.02 1 110 57 24 SER C C 173.88 0.1 1 111 57 24 SER CA C 58.79 0.1 1 112 57 24 SER CB C 64.69 0.1 1 113 57 24 SER N N 111.91 0.2 1 114 58 25 GLU H H 7.631 0.02 1 115 58 25 GLU C C 175.36 0.1 1 116 58 25 GLU CA C 54.24 0.1 1 117 58 25 GLU CB C 32.85 0.1 1 118 58 25 GLU N N 118.05 0.2 1 119 59 26 VAL H H 8.589 0.02 1 120 59 26 VAL C C 176.31 0.1 1 121 59 26 VAL CA C 63.55 0.1 1 122 59 26 VAL CB C 32.05 0.1 1 123 59 26 VAL N N 124.44 0.2 1 124 60 27 ASN H H 10.263 0.02 1 125 60 27 ASN HD21 H 7.126 0.02 1 126 60 27 ASN HD22 H 6.582 0.02 1 127 60 27 ASN C C 177.13 0.1 1 128 60 27 ASN CA C 53.77 0.1 1 129 60 27 ASN CB C 37.98 0.1 1 130 60 27 ASN N N 127.19 0.2 1 131 60 27 ASN ND2 N 110.47 0.2 1 132 61 28 LYS H H 8.644 0.02 1 133 61 28 LYS C C 177.41 0.1 1 134 61 28 LYS CA C 57.84 0.1 1 135 61 28 LYS CB C 31.71 0.1 1 136 61 28 LYS N N 128.78 0.2 1 137 62 29 GLU H H 8.389 0.02 1 138 62 29 GLU C C 176.69 0.1 1 139 62 29 GLU CA C 57.91 0.1 1 140 62 29 GLU CB C 28.63 0.1 1 141 62 29 GLU N N 118.55 0.2 1 142 63 30 TYR H H 7.054 0.02 1 143 63 30 TYR C C 172.93 0.1 1 144 63 30 TYR CA C 54.67 0.1 1 145 63 30 TYR CB C 40.05 0.1 1 146 63 30 TYR N N 113.45 0.2 1 147 64 31 TRP H H 7.210 0.02 1 148 64 31 TRP HE1 H 11.909 0.02 1 149 64 31 TRP C C 176.75 0.1 1 150 64 31 TRP CA C 55.22 0.1 1 151 64 31 TRP CB C 33.78 0.1 1 152 64 31 TRP N N 112.62 0.2 1 153 64 31 TRP NE1 N 130.98 0.02 1 154 65 32 THR H H 8.982 0.02 1 155 65 32 THR C C 173.39 0.1 1 156 65 32 THR CA C 61.09 0.1 1 157 65 32 THR CB C 71.17 0.1 1 158 65 32 THR N N 117.29 0.2 1 159 66 33 PHE H H 8.663 0.02 1 160 66 33 PHE C C 176.87 0.1 1 161 66 33 PHE CA C 58.41 0.1 1 162 66 33 PHE CB C 39.83 0.1 1 163 66 33 PHE N N 124.14 0.2 1 164 67 34 GLU H H 8.625 0.02 1 165 67 34 GLU C C 175.47 0.1 1 166 67 34 GLU CA C 55.20 0.1 1 167 67 34 GLU CB C 31.37 0.1 1 168 67 34 GLU N N 121.97 0.2 1 169 68 35 LYS H H 8.423 0.02 1 170 68 35 LYS C C 176.90 0.1 1 171 68 35 LYS CA C 55.09 0.1 1 172 68 35 LYS CB C 36.12 0.1 1 173 68 35 LYS N N 121.25 0.2 1 174 69 36 GLY H H 8.935 0.02 1 175 69 36 GLY C C 175.11 0.1 1 176 69 36 GLY CA C 44.44 0.1 1 177 69 36 GLY N N 110.78 0.2 1 178 70 37 ASN H H 10.103 0.02 1 179 70 37 ASN HD21 H 8.129 0.02 1 180 70 37 ASN HD22 H 6.438 0.02 1 181 70 37 ASN C C 172.16 0.1 1 182 70 37 ASN CA C 53.57 0.1 1 183 70 37 ASN CB C 43.65 0.1 1 184 70 37 ASN N N 123.37 0.2 1 185 70 37 ASN ND2 N 108.83 0.2 1 186 71 38 GLY H H 8.258 0.02 1 187 71 38 GLY C C 176.98 0.1 1 188 71 38 GLY CA C 43.41 0.1 1 189 71 38 GLY N N 108.64 0.2 1 190 72 39 ILE H H 7.257 0.02 1 191 72 39 ILE C C 178.00 0.1 1 192 72 39 ILE CA C 64.71 0.1 1 193 72 39 ILE CB C 37.66 0.1 1 194 72 39 ILE N N 122.74 0.2 1 195 73 40 ALA H H 7.938 0.02 1 196 73 40 ALA C C 177.53 0.1 1 197 73 40 ALA CA C 54.41 0.1 1 198 73 40 ALA CB C 17.99 0.1 1 199 73 40 ALA N N 122.55 0.2 1 200 74 41 TYR H H 7.037 0.02 1 201 74 41 TYR C C 175.68 0.1 1 202 74 41 TYR CA C 56.31 0.1 1 203 74 41 TYR CB C 39.08 0.1 1 204 74 41 TYR N N 113.64 0.2 1 205 75 42 GLY H H 7.785 0.02 1 206 75 42 GLY C C 173.69 0.1 1 207 75 42 GLY CA C 45.46 0.1 1 208 75 42 GLY N N 107.29 0.2 1 209 76 43 ILE H H 7.416 0.02 1 210 76 43 ILE C C 171.42 0.1 1 211 76 43 ILE CA C 56.81 0.1 1 212 76 43 ILE CB C 40.07 0.1 1 213 76 43 ILE N N 114.66 0.2 1 214 77 44 PRO C C 178.99 0.1 1 215 77 44 PRO CA C 63.64 0.1 1 216 77 44 PRO CB C 31.46 0.1 1 217 78 45 GLY H H 8.193 0.02 1 218 78 45 GLY C C 174.70 0.1 1 219 78 45 GLY CA C 48.42 0.1 1 220 78 45 GLY N N 118.48 0.2 1 221 79 46 TRP H H 8.314 0.02 1 222 79 46 TRP HE1 H 9.322 0.02 1 223 79 46 TRP C C 174.77 0.1 1 224 79 46 TRP CA C 59.48 0.1 1 225 79 46 TRP CB C 26.47 0.1 1 226 79 46 TRP N N 118.81 0.2 1 227 79 46 TRP NE1 N 128.02 0.02 1 228 80 47 GLY H H 7.466 0.02 1 229 80 47 GLY C C 173.77 0.1 1 230 80 47 GLY CA C 45.19 0.1 1 231 80 47 GLY N N 105.19 0.2 1 232 81 48 ASN H H 7.841 0.02 1 233 81 48 ASN HD21 H 7.862 0.02 1 234 81 48 ASN HD22 H 6.736 0.02 1 235 81 48 ASN C C 174.81 0.1 1 236 81 48 ASN CA C 52.63 0.1 1 237 81 48 ASN CB C 42.54 0.1 1 238 81 48 ASN N N 117.07 0.2 1 239 81 48 ASN ND2 N 117.28 0.2 1 240 82 49 GLY H H 8.877 0.02 1 241 82 49 GLY C C 174.16 0.1 1 242 82 49 GLY CA C 46.05 0.1 1 243 82 49 GLY N N 111.26 0.2 1 244 83 50 GLU H H 8.284 0.02 1 245 83 50 GLU C C 178.49 0.1 1 246 83 50 GLU CA C 57.18 0.1 1 247 83 50 GLU CB C 29.26 0.1 1 248 83 50 GLU N N 118.81 0.2 1 249 84 51 LEU H H 8.661 0.02 1 250 84 51 LEU C C 177.61 0.1 1 251 84 51 LEU CA C 54.85 0.1 1 252 84 51 LEU CB C 43.89 0.1 1 253 84 51 LEU N N 117.01 0.2 1 254 85 52 GLU H H 7.376 0.02 1 255 85 52 GLU C C 171.52 0.1 1 256 85 52 GLU CA C 55.87 0.1 1 257 85 52 GLU CB C 28.23 0.1 1 258 85 52 GLU N N 113.79 0.2 1 259 86 53 TYR H H 8.501 0.02 1 260 86 53 TYR C C 175.43 0.1 1 261 86 53 TYR CA C 56.28 0.1 1 262 86 53 TYR CB C 40.16 0.1 1 263 86 53 TYR N N 122.65 0.2 1 264 87 54 TYR H H 8.146 0.02 1 265 87 54 TYR C C 176.86 0.1 1 266 87 54 TYR CA C 58.12 0.1 1 267 87 54 TYR CB C 38.11 0.1 1 268 87 54 TYR N N 126.22 0.2 1 269 88 55 THR H H 9.453 0.02 1 270 88 55 THR C C 176.10 0.1 1 271 88 55 THR CA C 60.20 0.1 1 272 88 55 THR CB C 71.94 0.1 1 273 88 55 THR N N 110.78 0.2 1 274 89 56 GLU H H 9.382 0.02 1 275 89 56 GLU C C 175.75 0.1 1 276 89 56 GLU CA C 56.80 0.1 1 277 89 56 GLU CB C 29.07 0.1 1 278 89 56 GLU N N 123.22 0.2 1 279 90 57 ASN H H 8.296 0.02 1 280 90 57 ASN C C 175.12 0.1 1 281 90 57 ASN CA C 54.15 0.1 1 282 90 57 ASN CB C 39.41 0.1 1 283 90 57 ASN N N 115.49 0.2 1 284 91 58 ASN H H 6.714 0.02 1 285 91 58 ASN HD21 H 8.373 0.02 1 286 91 58 ASN HD22 H 7.935 0.02 1 287 91 58 ASN C C 171.78 0.1 1 288 91 58 ASN CA C 54.56 0.1 1 289 91 58 ASN CB C 37.13 0.1 1 290 91 58 ASN N N 118.62 0.2 1 291 91 58 ASN ND2 N 114.33 0.2 1 292 92 59 THR H H 7.066 0.02 1 293 92 59 THR C C 173.55 0.1 1 294 92 59 THR CA C 60.82 0.1 1 295 92 59 THR CB C 71.41 0.1 1 296 92 59 THR N N 111.07 0.2 1 297 93 60 TYR H H 8.567 0.02 1 298 93 60 TYR C C 172.18 0.1 1 299 93 60 TYR CA C 55.72 0.1 1 300 93 60 TYR CB C 39.09 0.1 1 301 93 60 TYR N N 121.17 0.2 1 302 94 61 ILE H H 8.282 0.02 1 303 94 61 ILE C C 176.51 0.1 1 304 94 61 ILE CA C 58.97 0.1 1 305 94 61 ILE CB C 38.91 0.1 1 306 94 61 ILE N N 119.42 0.2 1 307 95 62 VAL H H 8.731 0.02 1 308 95 62 VAL C C 174.75 0.1 1 309 95 62 VAL CA C 60.32 0.1 1 310 95 62 VAL CB C 34.68 0.1 1 311 95 62 VAL N N 124.29 0.2 1 312 96 63 ASN H H 9.273 0.02 1 313 96 63 ASN C C 174.92 0.1 1 314 96 63 ASN CA C 54.28 0.1 1 315 96 63 ASN CB C 38.13 0.1 1 316 96 63 ASN N N 124.82 0.2 1 317 97 64 GLY H H 8.642 0.02 1 318 97 64 GLY C C 175.01 0.1 1 319 97 64 GLY CA C 46.26 0.1 1 320 97 64 GLY N N 103.31 0.2 1 321 98 65 THR H H 8.175 0.02 1 322 98 65 THR C C 171.33 0.1 1 323 98 65 THR CA C 58.53 0.1 1 324 98 65 THR CB C 71.50 0.1 1 325 98 65 THR N N 112.41 0.2 1 326 99 66 LEU H H 8.451 0.02 1 327 99 66 LEU C C 174.24 0.1 1 328 99 66 LEU CA C 54.15 0.1 1 329 99 66 LEU CB C 41.53 0.1 1 330 99 66 LEU N N 124.73 0.2 1 331 100 67 VAL H H 8.925 0.02 1 332 100 67 VAL C C 174.72 0.1 1 333 100 67 VAL CA C 61.12 0.1 1 334 100 67 VAL CB C 32.67 0.1 1 335 100 67 VAL N N 128.34 0.2 1 336 101 68 ILE H H 8.412 0.02 1 337 101 68 ILE C C 174.57 0.1 1 338 101 68 ILE CA C 61.05 0.1 1 339 101 68 ILE CB C 40.22 0.1 1 340 101 68 ILE N N 125.27 0.2 1 341 102 69 GLU H H 8.814 0.02 1 342 102 69 GLU C C 175.32 0.1 1 343 102 69 GLU CA C 53.90 0.1 1 344 102 69 GLU CB C 33.81 0.1 1 345 102 69 GLU N N 127.35 0.2 1 346 103 70 ALA H H 9.367 0.02 1 347 103 70 ALA C C 177.67 0.1 1 348 103 70 ALA CA C 50.21 0.1 1 349 103 70 ALA CB C 19.69 0.1 1 350 103 70 ALA N N 128.60 0.2 1 351 104 71 ARG H H 8.971 0.02 1 352 104 71 ARG C C 174.41 0.1 1 353 104 71 ARG CA C 54.68 0.1 1 354 104 71 ARG CB C 34.23 0.1 1 355 104 71 ARG N N 119.58 0.2 1 356 105 72 LYS H H 8.376 0.02 1 357 105 72 LYS C C 174.43 0.1 1 358 105 72 LYS CA C 55.54 0.1 1 359 105 72 LYS CB C 31.29 0.1 1 360 105 72 LYS N N 122.83 0.2 1 361 106 73 GLU H H 7.644 0.02 1 362 106 73 GLU C C 171.29 0.1 1 363 106 73 GLU CA C 54.85 0.1 1 364 106 73 GLU CB C 31.36 0.1 1 365 106 73 GLU N N 128.35 0.2 1 366 107 74 ILE H H 7.457 0.02 1 367 107 74 ILE C C 176.36 0.1 1 368 107 74 ILE CA C 60.57 0.1 1 369 107 74 ILE CB C 37.93 0.1 1 370 107 74 ILE N N 119.89 0.2 1 371 108 75 ILE H H 8.624 0.02 1 372 108 75 ILE C C 173.23 0.1 1 373 108 75 ILE CA C 58.53 0.1 1 374 108 75 ILE CB C 41.00 0.1 1 375 108 75 ILE N N 128.24 0.2 1 376 109 76 THR H H 8.122 0.02 1 377 109 76 THR C C 172.99 0.1 1 378 109 76 THR CA C 60.85 0.1 1 379 109 76 THR CB C 70.34 0.1 1 380 109 76 THR N N 120.57 0.2 1 381 110 77 ASP H H 8.727 0.02 1 382 110 77 ASP C C 175.54 0.1 1 383 110 77 ASP CA C 49.84 0.1 1 384 110 77 ASP CB C 44.37 0.1 1 385 110 77 ASP N N 127.12 0.2 1 386 111 78 PRO C C 176.59 0.1 1 387 111 78 PRO CA C 64.74 0.1 1 388 111 78 PRO CB C 32.20 0.1 1 389 112 79 ASN H H 8.542 0.02 1 390 112 79 ASN C C 175.49 0.1 1 391 112 79 ASN CA C 54.19 0.1 1 392 112 79 ASN CB C 40.05 0.1 1 393 112 79 ASN N N 113.50 0.2 1 394 113 80 GLU H H 8.236 0.02 1 395 113 80 GLU C C 174.66 0.1 1 396 113 80 GLU CA C 59.18 0.1 1 397 113 80 GLU CB C 33.36 0.1 1 398 113 80 GLU N N 116.80 0.2 1 399 114 81 GLY H H 8.774 0.02 1 400 114 81 GLY C C 171.90 0.1 1 401 114 81 GLY CA C 44.35 0.1 1 402 114 81 GLY N N 106.65 0.2 1 403 115 82 THR H H 7.528 0.02 1 404 115 82 THR C C 172.93 0.1 1 405 115 82 THR CA C 61.76 0.1 1 406 115 82 THR CB C 70.33 0.1 1 407 115 82 THR N N 116.81 0.2 1 408 116 83 PHE H H 9.005 0.02 1 409 116 83 PHE C C 173.77 0.1 1 410 116 83 PHE CA C 56.95 0.1 1 411 116 83 PHE CB C 43.14 0.1 1 412 116 83 PHE N N 125.74 0.2 1 413 117 84 LEU H H 9.066 0.02 1 414 117 84 LEU C C 175.18 0.1 1 415 117 84 LEU CA C 54.71 0.1 1 416 117 84 LEU CB C 43.29 0.1 1 417 117 84 LEU N N 118.39 0.2 1 418 118 85 TYR H H 6.941 0.02 1 419 118 85 TYR C C 175.34 0.1 1 420 118 85 TYR CA C 55.09 0.1 1 421 118 85 TYR CB C 42.77 0.1 1 422 118 85 TYR N N 110.71 0.2 1 423 119 86 THR H H 9.086 0.02 1 424 119 86 THR C C 174.46 0.1 1 425 119 86 THR CA C 58.35 0.1 1 426 119 86 THR CB C 71.23 0.1 1 427 119 86 THR N N 111.53 0.2 1 428 120 87 SER H H 7.648 0.02 1 429 120 87 SER C C 175.36 0.1 1 430 120 87 SER CA C 55.60 0.1 1 431 120 87 SER CB C 62.88 0.1 1 432 120 87 SER N N 111.38 0.2 1 433 121 88 SER H H 9.109 0.02 1 434 121 88 SER C C 169.36 0.1 1 435 121 88 SER CA C 59.88 0.1 1 436 121 88 SER CB C 69.01 0.1 1 437 121 88 SER N N 114.77 0.2 1 438 122 89 ARG H H 8.716 0.02 1 439 122 89 ARG C C 171.75 0.1 1 440 122 89 ARG CA C 54.39 0.1 1 441 122 89 ARG CB C 30.98 0.1 1 442 122 89 ARG N N 124.15 0.2 1 443 123 90 LEU H H 8.967 0.02 1 444 123 90 LEU C C 174.78 0.1 1 445 123 90 LEU CA C 54.46 0.1 1 446 123 90 LEU CB C 45.79 0.1 1 447 123 90 LEU N N 127.46 0.2 1 448 124 91 LYS H H 9.106 0.02 1 449 124 91 LYS C C 177.42 0.1 1 450 124 91 LYS CA C 53.14 0.1 1 451 124 91 LYS CB C 38.51 0.1 1 452 124 91 LYS N N 114.37 0.2 1 453 125 92 THR H H 9.034 0.02 1 454 125 92 THR C C 174.73 0.1 1 455 125 92 THR CA C 61.11 0.1 1 456 125 92 THR CB C 69.53 0.1 1 457 125 92 THR N N 108.57 0.2 1 458 126 93 GLU H H 5.673 0.02 1 459 126 93 GLU C C 175.57 0.1 1 460 126 93 GLU CA C 57.58 0.1 1 461 126 93 GLU CB C 30.08 0.1 1 462 126 93 GLU N N 121.40 0.2 1 463 127 94 GLY H H 9.219 0.04 1 464 127 94 GLY C C 172.85 0.1 1 465 127 94 GLY CA C 45.51 0.1 1 466 127 94 GLY N N 118.03 0.2 1 467 128 95 LYS H H 7.909 0.02 1 468 128 95 LYS C C 176.23 0.1 1 469 128 95 LYS CA C 58.34 0.1 1 470 128 95 LYS CB C 34.10 0.1 1 471 128 95 LYS N N 120.24 0.2 1 472 129 96 VAL H H 8.059 0.02 1 473 129 96 VAL C C 172.34 0.1 1 474 129 96 VAL CA C 61.65 0.1 1 475 129 96 VAL CB C 33.40 0.1 1 476 129 96 VAL N N 116.50 0.2 1 477 130 97 GLU H H 7.383 0.02 1 478 130 97 GLU C C 173.99 0.1 1 479 130 97 GLU CA C 53.44 0.1 1 480 130 97 GLU CB C 32.16 0.1 1 481 130 97 GLU N N 123.03 0.2 1 482 131 98 PHE H H 8.646 0.02 1 483 131 98 PHE C C 173.14 0.1 1 484 131 98 PHE CA C 57.18 0.1 1 485 131 98 PHE CB C 43.42 0.1 1 486 131 98 PHE N N 117.33 0.2 1 487 132 99 SER H H 8.150 0.02 1 488 132 99 SER C C 170.22 0.1 1 489 132 99 SER CA C 55.09 0.1 1 490 132 99 SER CB C 64.11 0.1 1 491 132 99 SER N N 115.88 0.2 1 492 134 101 PRO C C 176.55 0.1 1 493 134 101 PRO CA C 60.80 0.1 1 494 134 101 PRO CB C 34.30 0.1 1 495 135 102 VAL H H 9.118 0.02 1 496 135 102 VAL C C 173.42 0.1 1 497 135 102 VAL CA C 60.03 0.1 1 498 135 102 VAL CB C 37.93 0.1 1 499 135 102 VAL N N 120.06 0.2 1 500 136 103 VAL H H 8.596 0.02 1 501 136 103 VAL C C 175.53 0.1 1 502 136 103 VAL CA C 60.96 0.1 1 503 136 103 VAL CB C 35.01 0.1 1 504 136 103 VAL N N 120.99 0.2 1 505 137 104 VAL H H 8.245 0.02 1 506 137 104 VAL C C 174.08 0.1 1 507 137 104 VAL CA C 61.24 0.1 1 508 137 104 VAL CB C 33.60 0.1 1 509 137 104 VAL N N 126.39 0.2 1 510 138 105 GLU H H 9.276 0.02 1 511 138 105 GLU C C 174.43 0.1 1 512 138 105 GLU CA C 55.14 0.1 1 513 138 105 GLU CB C 35.37 0.1 1 514 138 105 GLU N N 123.77 0.2 1 515 139 106 ALA H H 9.378 0.02 1 516 139 106 ALA C C 174.41 0.1 1 517 139 106 ALA CA C 51.62 0.1 1 518 139 106 ALA CB C 25.05 0.1 1 519 139 106 ALA N N 123.14 0.2 1 520 140 107 ARG H H 6.333 0.02 1 521 140 107 ARG C C 175.89 0.1 1 522 140 107 ARG CA C 54.16 0.1 1 523 140 107 ARG CB C 32.27 0.1 1 524 140 107 ARG N N 122.15 0.2 1 525 141 108 ILE H H 9.210 0.02 1 526 141 108 ILE C C 173.88 0.1 1 527 141 108 ILE CA C 60.78 0.1 1 528 141 108 ILE CB C 44.08 0.1 1 529 141 108 ILE N N 126.47 0.2 1 530 142 109 LYS H H 9.524 0.02 1 531 142 109 LYS C C 173.76 0.1 1 532 142 109 LYS CA C 56.76 0.1 1 533 142 109 LYS CB C 34.64 0.1 1 534 142 109 LYS N N 132.29 0.2 1 535 143 110 LEU H H 7.434 0.02 1 536 143 110 LEU C C 173.24 0.1 1 537 143 110 LEU CA C 52.51 0.1 1 538 143 110 LEU CB C 41.21 0.1 1 539 143 110 LEU N N 126.92 0.2 1 540 144 111 PRO C C 173.56 0.1 1 541 144 111 PRO CA C 61.52 0.1 1 542 144 111 PRO CB C 31.46 0.1 1 543 145 112 LYS H H 7.866 0.02 1 544 145 112 LYS C C 176.22 0.1 1 545 145 112 LYS CA C 55.55 0.1 1 546 145 112 LYS CB C 35.04 0.1 1 547 145 112 LYS N N 116.24 0.2 1 548 146 113 GLY H H 7.730 0.02 1 549 146 113 GLY C C 171.64 0.1 1 550 146 113 GLY CA C 44.82 0.1 1 551 146 113 GLY N N 109.71 0.2 1 552 147 114 LYS H H 8.451 0.02 1 553 147 114 LYS C C 176.77 0.1 1 554 147 114 LYS CA C 57.61 0.1 1 555 147 114 LYS CB C 32.04 0.1 1 556 147 114 LYS N N 125.77 0.2 1 557 148 115 GLY H H 9.549 0.02 1 558 148 115 GLY C C 172.20 0.1 1 559 148 115 GLY CA C 44.33 0.1 1 560 148 115 GLY N N 114.34 0.2 1 561 149 116 LEU H H 7.163 0.02 1 562 149 116 LEU C C 175.76 0.1 1 563 149 116 LEU CA C 54.21 0.1 1 564 149 116 LEU CB C 42.54 0.1 1 565 149 116 LEU N N 118.11 0.2 1 566 150 117 TRP H H 8.506 0.02 1 567 150 117 TRP HE1 H 9.597 0.02 1 568 150 117 TRP C C 172.85 0.1 1 569 150 117 TRP CA C 52.37 0.1 1 570 150 117 TRP CB C 31.22 0.1 1 571 150 117 TRP N N 122.65 0.2 1 572 150 117 TRP NE1 N 126.25 0.02 1 573 151 118 PRO C C 174.79 0.1 1 574 151 118 PRO CA C 61.85 0.1 1 575 151 118 PRO CB C 34.02 0.1 1 576 152 119 ALA H H 8.187 0.02 1 577 152 119 ALA C C 174.73 0.1 1 578 152 119 ALA CA C 52.41 0.1 1 579 152 119 ALA CB C 23.69 0.1 1 580 152 119 ALA N N 118.46 0.2 1 581 153 120 PHE H H 8.641 0.02 1 582 153 120 PHE C C 173.35 0.1 1 583 153 120 PHE CA C 53.78 0.1 1 584 153 120 PHE CB C 41.74 0.1 1 585 153 120 PHE N N 120.06 0.2 1 586 154 121 TRP H H 9.757 0.02 1 587 154 121 TRP HE1 H 10.564 0.02 1 588 154 121 TRP C C 171.81 0.1 1 589 154 121 TRP CA C 55.76 0.1 1 590 154 121 TRP CB C 29.72 0.1 1 591 154 121 TRP N N 127.94 0.2 1 592 154 121 TRP NE1 N 133.55 0.02 1 593 155 122 MET H H 9.133 0.02 1 594 155 122 MET C C 175.45 0.1 1 595 155 122 MET CA C 54.28 0.1 1 596 155 122 MET CB C 40.27 0.1 1 597 155 122 MET N N 114.62 0.2 1 598 156 123 LEU H H 7.040 0.02 1 599 156 123 LEU C C 175.44 0.1 1 600 156 123 LEU CA C 52.35 0.1 1 601 156 123 LEU CB C 47.02 0.1 1 602 156 123 LEU N N 121.67 0.2 1 603 157 124 GLY H H 6.615 0.02 1 604 157 124 GLY C C 174.25 0.1 1 605 157 124 GLY CA C 45.27 0.1 1 606 157 124 GLY N N 108.04 0.2 1 607 158 125 SER H H 8.570 0.02 1 608 158 125 SER C C 174.89 0.1 1 609 158 125 SER CA C 61.05 0.1 1 610 158 125 SER CB C 63.54 0.1 1 611 158 125 SER N N 118.46 0.2 1 612 159 126 ASN H H 7.958 0.02 1 613 159 126 ASN HD22 H 6.834 0.02 1 614 159 126 ASN C C 177.22 0.1 1 615 159 126 ASN CA C 52.58 0.1 1 616 159 126 ASN CB C 36.78 0.1 1 617 159 126 ASN N N 117.57 0.2 1 618 159 126 ASN ND2 N 105.96 0.2 1 619 160 127 ILE H H 7.856 0.02 1 620 160 127 ILE C C 176.06 0.1 1 621 160 127 ILE CA C 65.74 0.1 1 622 160 127 ILE CB C 36.64 0.1 1 623 160 127 ILE N N 121.95 0.2 1 624 161 128 ARG H H 8.065 0.02 1 625 161 128 ARG C C 176.26 0.1 1 626 161 128 ARG CA C 57.73 0.1 1 627 161 128 ARG CB C 28.54 0.1 1 628 161 128 ARG N N 119.31 0.2 1 629 162 129 GLU H H 7.674 0.02 1 630 162 129 GLU C C 177.69 0.1 1 631 162 129 GLU CA C 58.10 0.1 1 632 162 129 GLU CB C 31.32 0.1 1 633 162 129 GLU N N 116.31 0.2 1 634 163 130 VAL H H 7.648 0.02 1 635 163 130 VAL C C 176.92 0.1 1 636 163 130 VAL CA C 61.06 0.1 1 637 163 130 VAL CB C 32.91 0.1 1 638 163 130 VAL N N 107.63 0.2 1 639 164 131 GLY H H 7.892 0.02 1 640 164 131 GLY C C 170.74 0.1 1 641 164 131 GLY CA C 44.67 0.1 1 642 164 131 GLY N N 110.28 0.2 1 643 165 132 TRP H H 8.427 0.02 1 644 165 132 TRP HE1 H 10.903 0.02 1 645 165 132 TRP C C 176.67 0.1 1 646 165 132 TRP CA C 55.29 0.1 1 647 165 132 TRP CB C 32.30 0.1 1 648 165 132 TRP N N 120.84 0.2 1 649 165 132 TRP NE1 N 130.88 0.02 1 650 166 133 PRO C C 176.19 0.1 1 651 166 133 PRO CA C 63.22 0.1 1 652 166 133 PRO CB C 31.74 0.1 1 653 167 134 ASN H H 7.942 0.02 1 654 167 134 ASN C C 174.81 0.1 1 655 167 134 ASN CA C 56.87 0.1 1 656 167 134 ASN CB C 36.93 0.1 1 657 167 134 ASN N N 125.55 0.2 1 658 168 135 CYS H H 8.135 0.02 1 659 168 135 CYS C C 174.66 0.1 1 660 168 135 CYS CA C 56.98 0.1 1 661 168 135 CYS CB C 29.34 0.1 1 662 168 135 CYS N N 113.30 0.2 1 663 169 136 GLY H H 7.352 0.02 1 664 169 136 GLY C C 171.82 0.1 1 665 169 136 GLY CA C 44.61 0.1 1 666 169 136 GLY N N 109.93 0.2 1 667 170 137 GLU H H 8.762 0.02 1 668 170 137 GLU C C 174.50 0.1 1 669 170 137 GLU CA C 55.33 0.1 1 670 170 137 GLU CB C 34.00 0.1 1 671 170 137 GLU N N 121.82 0.2 1 672 171 138 ILE H H 8.958 0.02 1 673 171 138 ILE C C 174.61 0.1 1 674 171 138 ILE CA C 60.77 0.1 1 675 171 138 ILE CB C 40.39 0.1 1 676 171 138 ILE N N 126.17 0.2 1 677 172 139 ASP H H 10.030 0.02 1 678 172 139 ASP C C 175.38 0.1 1 679 172 139 ASP CA C 52.61 0.1 1 680 172 139 ASP CB C 38.97 0.1 1 681 172 139 ASP N N 128.27 0.2 1 682 173 140 ILE H H 8.205 0.02 1 683 173 140 ILE C C 174.43 0.1 1 684 173 140 ILE CA C 65.44 0.1 1 685 173 140 ILE CB C 36.69 0.1 1 686 173 140 ILE N N 130.19 0.2 1 687 174 141 MET H H 8.255 0.02 1 688 174 141 MET C C 174.48 0.1 1 689 174 141 MET CA C 56.55 0.1 1 690 174 141 MET CB C 33.44 0.1 1 691 174 141 MET N N 114.99 0.2 1 692 175 142 GLU H H 8.415 0.02 1 693 175 142 GLU C C 174.46 0.1 1 694 175 142 GLU CA C 56.19 0.1 1 695 175 142 GLU CB C 32.59 0.1 1 696 175 142 GLU N N 122.56 0.2 1 697 176 143 PHE H H 7.875 0.02 1 698 176 143 PHE C C 170.08 0.1 1 699 176 143 PHE CA C 56.02 0.1 1 700 176 143 PHE CB C 43.85 0.1 1 701 176 143 PHE N N 124.66 0.2 1 702 177 144 LEU H H 8.319 0.02 1 703 177 144 LEU C C 178.72 0.1 1 704 177 144 LEU CA C 52.22 0.1 1 705 177 144 LEU CB C 42.96 0.1 1 706 177 144 LEU N N 123.03 0.2 1 707 178 145 GLY H H 8.439 0.02 1 708 178 145 GLY C C 174.64 0.1 1 709 178 145 GLY CA C 47.63 0.1 1 710 178 145 GLY N N 105.96 0.2 1 711 179 146 HIS H H 7.626 0.02 1 712 179 146 HIS C C 174.35 0.1 1 713 179 146 HIS CA C 55.94 0.1 1 714 179 146 HIS CB C 30.46 0.1 1 715 179 146 HIS N N 115.20 0.2 1 716 180 147 GLU H H 7.488 0.02 1 717 180 147 GLU C C 173.92 0.1 1 718 180 147 GLU CA C 53.40 0.1 1 719 180 147 GLU CB C 29.93 0.1 1 720 180 147 GLU N N 123.19 0.2 1 721 181 148 PRO C C 175.73 0.1 1 722 181 148 PRO CA C 65.10 0.1 1 723 181 148 PRO CB C 33.08 0.1 1 724 182 149 ARG H H 8.397 0.02 1 725 182 149 ARG C C 174.71 0.1 1 726 182 149 ARG CA C 55.98 0.1 1 727 182 149 ARG CB C 30.92 0.1 1 728 182 149 ARG N N 115.13 0.2 1 729 183 150 THR H H 7.723 0.02 1 730 183 150 THR C C 173.58 0.1 1 731 183 150 THR CA C 62.16 0.1 1 732 183 150 THR CB C 72.37 0.1 1 733 183 150 THR N N 117.13 0.2 1 734 184 151 ILE H H 8.838 0.02 1 735 184 151 ILE C C 174.15 0.1 1 736 184 151 ILE CA C 59.37 0.1 1 737 184 151 ILE CB C 44.54 0.1 1 738 184 151 ILE N N 119.05 0.2 1 739 185 152 HIS H H 8.427 0.02 1 740 185 152 HIS C C 172.45 0.1 1 741 185 152 HIS CA C 54.19 0.1 1 742 185 152 HIS CB C 31.94 0.1 1 743 185 152 HIS N N 116.36 0.2 1 744 186 153 GLY H H 8.268 0.02 1 745 186 153 GLY C C 173.21 0.1 1 746 186 153 GLY CA C 44.89 0.1 1 747 186 153 GLY N N 109.71 0.2 1 748 187 154 THR H H 7.938 0.02 1 749 187 154 THR C C 173.54 0.1 1 750 187 154 THR CA C 61.77 0.1 1 751 187 154 THR CB C 72.52 0.1 1 752 187 154 THR N N 116.02 0.2 1 753 188 155 VAL H H 7.698 0.05 1 754 188 155 VAL C C 172.80 0.1 1 755 188 155 VAL CA C 59.93 0.1 1 756 188 155 VAL CB C 35.27 0.1 1 757 188 155 VAL N N 119.69 0.2 1 758 189 156 HIS H H 8.888 0.02 1 759 189 156 HIS C C 174.74 0.1 1 760 189 156 HIS CA C 53.51 0.1 1 761 189 156 HIS CB C 35.38 0.1 1 762 189 156 HIS N N 120.00 0.2 1 763 190 157 GLY H H 6.773 0.02 1 764 190 157 GLY C C 170.41 0.1 1 765 190 157 GLY CA C 43.69 0.1 1 766 190 157 GLY N N 109.44 0.2 1 767 191 158 PRO C C 175.22 0.1 1 768 191 158 PRO CA C 63.76 0.1 1 769 191 158 PRO CB C 30.41 0.1 1 770 192 159 GLY H H 8.219 0.02 1 771 192 159 GLY C C 172.73 0.1 1 772 192 159 GLY CA C 44.47 0.1 1 773 192 159 GLY N N 116.52 0.2 1 774 193 160 TYR H H 7.652 0.02 1 775 193 160 TYR C C 174.30 0.1 1 776 193 160 TYR CA C 53.39 0.1 1 777 193 160 TYR CB C 35.23 0.1 1 778 193 160 TYR N N 119.65 0.2 1 779 194 161 SER H H 7.212 0.02 1 780 194 161 SER C C 177.09 0.1 1 781 194 161 SER CA C 55.91 0.1 1 782 194 161 SER CB C 67.51 0.1 1 783 194 161 SER N N 111.85 0.2 1 784 195 162 GLY H H 11.355 0.02 1 785 195 162 GLY C C 177.54 0.1 1 786 195 162 GLY CA C 46.75 0.1 1 787 195 162 GLY N N 116.21 0.2 1 788 196 163 SER C C 175.09 0.1 1 789 196 163 SER CA C 60.76 0.1 1 790 196 163 SER CB C 62.56 0.1 1 791 197 164 LYS H H 7.708 0.02 1 792 197 164 LYS C C 175.91 0.1 1 793 197 164 LYS CA C 55.27 0.1 1 794 197 164 LYS CB C 31.76 0.1 1 795 197 164 LYS N N 120.11 0.2 1 796 198 165 GLY H H 7.269 0.02 1 797 198 165 GLY C C 173.56 0.1 1 798 198 165 GLY CA C 45.42 0.1 1 799 198 165 GLY N N 105.15 0.2 1 800 199 166 ILE H H 8.088 0.02 1 801 199 166 ILE C C 176.21 0.1 1 802 199 166 ILE CA C 62.32 0.1 1 803 199 166 ILE CB C 36.78 0.1 1 804 199 166 ILE N N 121.67 0.2 1 805 200 167 THR H H 8.054 0.02 1 806 200 167 THR C C 171.18 0.1 1 807 200 167 THR CA C 59.06 0.1 1 808 200 167 THR CB C 71.13 0.1 1 809 200 167 THR N N 125.01 0.2 1 810 201 168 ARG H H 8.075 0.02 1 811 201 168 ARG C C 173.04 0.1 1 812 201 168 ARG CA C 55.91 0.1 1 813 201 168 ARG CB C 34.04 0.1 1 814 201 168 ARG N N 126.76 0.2 1 815 202 169 ALA H H 7.871 0.02 1 816 202 169 ALA C C 176.14 0.1 1 817 202 169 ALA CA C 49.63 0.1 1 818 202 169 ALA CB C 21.14 0.1 1 819 202 169 ALA N N 124.65 0.2 1 820 203 170 TYR H H 8.471 0.02 1 821 203 170 TYR C C 173.33 0.1 1 822 203 170 TYR CA C 57.55 0.1 1 823 203 170 TYR CB C 40.62 0.1 1 824 203 170 TYR N N 122.30 0.2 1 825 204 171 THR H H 7.295 0.02 1 826 204 171 THR C C 173.03 0.1 1 827 204 171 THR CA C 60.08 0.1 1 828 204 171 THR CB C 70.90 0.1 1 829 204 171 THR N N 123.70 0.2 1 830 205 172 LEU H H 8.467 0.02 1 831 205 172 LEU C C 174.63 0.1 1 832 205 172 LEU CA C 52.93 0.1 1 833 205 172 LEU CB C 42.92 0.1 1 834 205 172 LEU N N 126.43 0.2 1 835 206 173 PRO C C 176.08 0.1 1 836 206 173 PRO CA C 62.10 0.1 1 837 206 173 PRO CB C 32.21 0.1 1 838 207 174 GLU H H 8.232 0.02 1 839 207 174 GLU C C 177.38 0.1 1 840 207 174 GLU CA C 57.80 0.1 1 841 207 174 GLU CB C 29.59 0.1 1 842 207 174 GLU N N 119.32 0.2 1 843 208 175 GLY H H 8.526 0.02 1 844 208 175 GLY C C 174.04 0.1 1 845 208 175 GLY CA C 45.47 0.1 1 846 208 175 GLY N N 108.81 0.2 1 847 209 176 VAL H H 6.850 0.02 1 848 209 176 VAL C C 173.57 0.1 1 849 209 176 VAL CA C 58.49 0.1 1 850 209 176 VAL CB C 32.14 0.1 1 851 209 176 VAL N N 114.66 0.2 1 852 210 177 PRO C C 176.88 0.1 1 853 210 177 PRO CA C 62.92 0.1 1 854 210 177 PRO CB C 32.44 0.1 1 855 211 178 ASP H H 8.957 0.04 1 856 211 178 ASP C C 177.09 0.1 1 857 211 178 ASP CA C 53.04 0.1 1 858 211 178 ASP CB C 39.99 0.1 1 859 211 178 ASP N N 121.38 0.2 1 860 212 179 PHE H H 7.357 0.02 1 861 212 179 PHE C C 175.40 0.1 1 862 212 179 PHE CA C 61.73 0.1 1 863 212 179 PHE CB C 38.07 0.1 1 864 212 179 PHE N N 112.92 0.2 1 865 213 180 THR H H 9.646 0.02 1 866 213 180 THR C C 175.55 0.1 1 867 213 180 THR CA C 60.36 0.1 1 868 213 180 THR CB C 70.06 0.1 1 869 213 180 THR N N 111.18 0.2 1 870 214 181 GLU H H 7.327 0.02 1 871 214 181 GLU C C 176.01 0.1 1 872 214 181 GLU CA C 56.89 0.1 1 873 214 181 GLU CB C 32.20 0.1 1 874 214 181 GLU N N 121.88 0.2 1 875 215 182 ASP H H 7.799 0.02 1 876 215 182 ASP C C 174.32 0.1 1 877 215 182 ASP CA C 51.57 0.1 1 878 215 182 ASP CB C 43.96 0.1 1 879 215 182 ASP N N 115.23 0.2 1 880 216 183 PHE H H 8.983 0.02 1 881 216 183 PHE C C 176.10 0.1 1 882 216 183 PHE CA C 58.93 0.1 1 883 216 183 PHE CB C 41.17 0.1 1 884 216 183 PHE N N 116.23 0.2 1 885 217 184 HIS H H 8.383 0.02 1 886 217 184 HIS C C 171.43 0.1 1 887 217 184 HIS CA C 54.80 0.1 1 888 217 184 HIS CB C 32.17 0.1 1 889 217 184 HIS N N 116.95 0.2 1 890 218 185 VAL H H 8.847 0.02 1 891 218 185 VAL C C 173.82 0.1 1 892 218 185 VAL CA C 61.86 0.1 1 893 218 185 VAL CB C 33.30 0.1 1 894 218 185 VAL N N 121.61 0.2 1 895 219 186 PHE H H 8.897 0.02 1 896 219 186 PHE C C 174.78 0.1 1 897 219 186 PHE CA C 55.89 0.1 1 898 219 186 PHE CB C 43.01 0.1 1 899 219 186 PHE N N 124.86 0.2 1 900 220 187 GLY H H 7.931 0.02 1 901 220 187 GLY C C 172.24 0.1 1 902 220 187 GLY CA C 46.50 0.1 1 903 220 187 GLY N N 109.20 0.2 1 904 221 188 ILE H H 8.219 0.02 1 905 221 188 ILE C C 175.16 0.1 1 906 221 188 ILE CA C 58.32 0.1 1 907 221 188 ILE CB C 42.58 0.1 1 908 221 188 ILE N N 107.94 0.2 1 909 222 189 VAL H H 9.009 0.02 1 910 222 189 VAL C C 173.34 0.1 1 911 222 189 VAL CA C 62.48 0.1 1 912 222 189 VAL CB C 32.14 0.1 1 913 222 189 VAL N N 120.84 0.2 1 914 223 190 TRP H H 9.053 0.02 1 915 223 190 TRP HE1 H 10.020 0.02 1 916 223 190 TRP C C 173.63 0.1 1 917 223 190 TRP CA C 53.87 0.1 1 918 223 190 TRP CB C 30.93 0.1 1 919 223 190 TRP N N 130.35 0.2 1 920 223 190 TRP NE1 N 125.58 0.02 1 921 224 191 TYR H H 9.520 0.02 1 922 224 191 TYR C C 173.82 0.1 1 923 224 191 TYR CA C 56.16 0.1 1 924 224 191 TYR CB C 37.93 0.1 1 925 224 191 TYR N N 123.38 0.2 1 926 225 192 PRO C C 175.78 0.1 1 927 225 192 PRO CA C 65.31 0.1 1 928 225 192 PRO CB C 31.34 0.1 1 929 226 193 ASP H H 8.132 0.02 1 930 226 193 ASP C C 175.76 0.1 1 931 226 193 ASP CA C 52.13 0.1 1 932 226 193 ASP CB C 41.31 0.1 1 933 226 193 ASP N N 109.65 0.2 1 934 227 194 LYS H H 7.859 0.02 1 935 227 194 LYS C C 172.33 0.1 1 936 227 194 LYS CA C 57.38 0.1 1 937 227 194 LYS CB C 34.69 0.1 1 938 227 194 LYS N N 119.87 0.2 1 939 228 195 ILE H H 8.915 0.02 1 940 228 195 ILE C C 174.29 0.1 1 941 228 195 ILE CA C 60.52 0.1 1 942 228 195 ILE CB C 41.49 0.1 1 943 228 195 ILE N N 123.46 0.2 1 944 229 196 LYS H H 8.820 0.02 1 945 229 196 LYS C C 174.86 0.1 1 946 229 196 LYS CA C 55.11 0.1 1 947 229 196 LYS CB C 36.46 0.1 1 948 229 196 LYS N N 123.18 0.2 1 949 230 197 TRP H H 8.824 0.02 1 950 230 197 TRP HE1 H 10.151 0.02 1 951 230 197 TRP C C 175.70 0.1 1 952 230 197 TRP CA C 57.96 0.1 1 953 230 197 TRP CB C 35.05 0.1 1 954 230 197 TRP N N 124.72 0.2 1 955 230 197 TRP NE1 N 128.71 0.02 1 956 231 198 TYR H H 8.996 0.02 1 957 231 198 TYR C C 174.54 0.1 1 958 231 198 TYR CA C 55.53 0.1 1 959 231 198 TYR CB C 42.04 0.1 1 960 231 198 TYR N N 116.41 0.2 1 961 232 199 VAL H H 8.453 0.02 1 962 232 199 VAL C C 176.14 0.1 1 963 232 199 VAL CA C 59.11 0.1 1 964 232 199 VAL CB C 33.90 0.1 1 965 232 199 VAL N N 118.97 0.2 1 966 233 200 ASP H H 10.035 0.02 1 967 233 200 ASP C C 175.94 0.1 1 968 233 200 ASP CA C 56.16 0.1 1 969 233 200 ASP CB C 39.40 0.1 1 970 233 200 ASP N N 126.82 0.2 1 971 234 201 GLY H H 7.111 0.02 1 972 234 201 GLY C C 173.46 0.1 1 973 234 201 GLY CA C 45.39 0.1 1 974 234 201 GLY N N 102.68 0.2 1 975 235 202 THR H H 8.451 0.02 1 976 235 202 THR C C 173.98 0.1 1 977 235 202 THR CA C 62.38 0.1 1 978 235 202 THR CB C 70.30 0.1 1 979 235 202 THR N N 118.83 0.2 1 980 236 203 PHE H H 8.722 0.02 1 981 236 203 PHE C C 177.21 0.1 1 982 236 203 PHE CA C 58.28 0.1 1 983 236 203 PHE CB C 39.61 0.1 1 984 236 203 PHE N N 127.12 0.2 1 985 237 204 TYR H H 8.365 0.02 1 986 237 204 TYR C C 173.16 0.1 1 987 237 204 TYR CA C 56.31 0.1 1 988 237 204 TYR CB C 41.54 0.1 1 989 237 204 TYR N N 116.72 0.2 1 990 238 205 HIS H H 7.284 0.02 1 991 238 205 HIS C C 173.57 0.1 1 992 238 205 HIS CA C 53.57 0.1 1 993 238 205 HIS CB C 33.69 0.1 1 994 238 205 HIS N N 119.34 0.2 1 995 239 206 GLU C C 173.47 0.1 1 996 239 206 GLU CA C 55.56 0.1 1 997 239 206 GLU CB C 33.00 0.1 1 998 240 207 VAL H H 8.905 0.02 1 999 240 207 VAL C C 174.53 0.1 1 1000 240 207 VAL CA C 60.67 0.1 1 1001 240 207 VAL CB C 35.91 0.1 1 1002 240 207 VAL N N 123.17 0.2 1 1003 241 208 THR H H 8.028 0.02 1 1004 241 208 THR C C 173.55 0.1 1 1005 241 208 THR CA C 58.81 0.1 1 1006 241 208 THR CB C 71.90 0.1 1 1007 241 208 THR N N 114.46 0.2 1 1008 242 209 LYS H H 7.377 0.02 1 1009 242 209 LYS C C 177.03 0.1 1 1010 242 209 LYS CA C 59.17 0.1 1 1011 242 209 LYS CB C 33.35 0.1 1 1012 242 209 LYS N N 123.00 0.2 1 1013 243 210 GLU H H 8.250 0.02 1 1014 243 210 GLU C C 178.80 0.1 1 1015 243 210 GLU CA C 59.61 0.1 1 1016 243 210 GLU CB C 28.72 0.1 1 1017 243 210 GLU N N 116.64 0.2 1 1018 244 211 GLN H H 7.732 0.02 1 1019 244 211 GLN HE21 H 6.913 0.02 1 1020 244 211 GLN HE22 H 5.844 0.02 1 1021 244 211 GLN C C 178.28 0.1 1 1022 244 211 GLN CA C 58.51 0.1 1 1023 244 211 GLN CB C 28.41 0.1 1 1024 244 211 GLN N N 120.22 0.2 1 1025 244 211 GLN NE2 N 112.11 0.2 1 1026 245 212 VAL H H 7.583 0.02 1 1027 245 212 VAL C C 178.30 0.1 1 1028 245 212 VAL CA C 66.68 0.1 1 1029 245 212 VAL CB C 32.65 0.1 1 1030 245 212 VAL N N 119.65 0.2 1 1031 246 213 GLU H H 8.651 0.02 1 1032 246 213 GLU C C 181.51 0.1 1 1033 246 213 GLU CA C 58.98 0.1 1 1034 246 213 GLU CB C 28.57 0.1 1 1035 246 213 GLU N N 118.83 0.2 1 1036 247 214 ALA H H 8.136 0.02 1 1037 247 214 ALA C C 179.50 0.1 1 1038 247 214 ALA CA C 54.53 0.1 1 1039 247 214 ALA CB C 17.78 0.1 1 1040 247 214 ALA N N 123.20 0.2 1 1041 248 215 MET H H 7.245 0.02 1 1042 248 215 MET C C 175.13 0.1 1 1043 248 215 MET CA C 56.54 0.1 1 1044 248 215 MET CB C 34.44 0.1 1 1045 248 215 MET N N 115.07 0.2 1 1046 249 216 GLY H H 7.640 0.02 1 1047 249 216 GLY C C 173.88 0.1 1 1048 249 216 GLY CA C 44.27 0.1 1 1049 249 216 GLY N N 104.01 0.2 1 1050 250 217 TYR H H 7.141 0.02 1 1051 250 217 TYR C C 174.32 0.1 1 1052 250 217 TYR CA C 54.43 0.1 1 1053 250 217 TYR CB C 41.67 0.1 1 1054 250 217 TYR N N 119.15 0.2 1 1055 251 218 GLU H H 8.536 0.02 1 1056 251 218 GLU C C 176.52 0.1 1 1057 251 218 GLU CA C 55.08 0.1 1 1058 251 218 GLU CB C 31.33 0.1 1 1059 251 218 GLU N N 118.45 0.2 1 1060 252 219 TRP H H 9.654 0.04 1 1061 252 219 TRP HE1 H 10.676 0.02 1 1062 252 219 TRP C C 175.98 0.1 1 1063 252 219 TRP CA C 57.82 0.1 1 1064 252 219 TRP CB C 31.20 0.1 1 1065 252 219 TRP N N 127.71 0.2 1 1066 252 219 TRP NE1 N 130.34 0.02 1 1067 253 220 VAL H H 5.188 0.02 1 1068 253 220 VAL C C 174.41 0.1 1 1069 253 220 VAL CA C 60.10 0.1 1 1070 253 220 VAL CB C 31.03 0.1 1 1071 253 220 VAL N N 115.14 0.2 1 1072 254 221 PHE H H 4.805 0.02 1 1073 254 221 PHE C C 173.51 0.1 1 1074 254 221 PHE CA C 57.34 0.1 1 1075 254 221 PHE CB C 37.76 0.1 1 1076 254 221 PHE N N 116.07 0.2 1 1077 255 222 ASP H H 8.518 0.02 1 1078 255 222 ASP C C 174.14 0.1 1 1079 255 222 ASP CA C 52.36 0.1 1 1080 255 222 ASP CB C 39.13 0.1 1 1081 255 222 ASP N N 119.23 0.2 1 1082 256 223 LYS H H 7.329 0.02 1 1083 256 223 LYS C C 172.13 0.1 1 1084 256 223 LYS CA C 54.66 0.1 1 1085 256 223 LYS CB C 33.88 0.1 1 1086 256 223 LYS N N 118.89 0.2 1 1087 257 224 PRO C C 178.05 0.1 1 1088 257 224 PRO CA C 62.99 0.1 1 1089 257 224 PRO CB C 31.68 0.1 1 1090 258 225 PHE H H 9.534 0.02 1 1091 258 225 PHE C C 174.53 0.1 1 1092 258 225 PHE CA C 56.77 0.1 1 1093 258 225 PHE CB C 44.45 0.1 1 1094 258 225 PHE N N 124.02 0.2 1 1095 259 226 TYR H H 8.597 0.02 1 1096 259 226 TYR C C 173.56 0.1 1 1097 259 226 TYR CA C 54.75 0.1 1 1098 259 226 TYR CB C 39.94 0.1 1 1099 259 226 TYR N N 115.39 0.2 1 1100 260 227 ILE H H 7.948 0.02 1 1101 260 227 ILE C C 174.37 0.1 1 1102 260 227 ILE CA C 62.32 0.1 1 1103 260 227 ILE CB C 41.20 0.1 1 1104 260 227 ILE N N 118.73 0.2 1 1105 261 228 ILE H H 9.150 0.02 1 1106 261 228 ILE C C 174.58 0.1 1 1107 261 228 ILE CA C 61.04 0.1 1 1108 261 228 ILE CB C 40.15 0.1 1 1109 261 228 ILE N N 126.62 0.2 1 1110 262 229 LEU H H 8.670 0.02 1 1111 262 229 LEU C C 175.79 0.1 1 1112 262 229 LEU CA C 53.57 0.1 1 1113 262 229 LEU CB C 47.94 0.1 1 1114 262 229 LEU N N 124.21 0.2 1 1115 263 230 ASN H H 8.439 0.02 1 1116 263 230 ASN C C 170.56 0.1 1 1117 263 230 ASN CA C 54.11 0.1 1 1118 263 230 ASN CB C 42.38 0.1 1 1119 263 230 ASN N N 113.68 0.2 1 1120 264 231 LEU H H 6.671 0.02 1 1121 264 231 LEU C C 174.22 0.1 1 1122 264 231 LEU CA C 54.11 0.1 1 1123 264 231 LEU CB C 43.71 0.1 1 1124 264 231 LEU N N 119.03 0.2 1 1125 265 232 ALA H H 7.784 0.02 1 1126 265 232 ALA C C 175.44 0.1 1 1127 265 232 ALA CA C 51.31 0.1 1 1128 265 232 ALA CB C 19.50 0.1 1 1129 265 232 ALA N N 130.47 0.2 1 1130 266 233 VAL H H 8.521 0.02 1 1131 266 233 VAL C C 174.56 0.1 1 1132 266 233 VAL CA C 61.75 0.1 1 1133 266 233 VAL CB C 33.68 0.1 1 1134 266 233 VAL N N 118.83 0.2 1 1135 267 234 GLY H H 9.161 0.02 1 1136 267 234 GLY C C 169.69 0.1 1 1137 267 234 GLY CA C 43.38 0.1 1 1138 267 234 GLY N N 112.79 0.2 1 1139 268 235 GLY H H 6.654 0.02 1 1140 268 235 GLY C C 176.15 0.1 1 1141 268 235 GLY CA C 42.99 0.1 1 1142 268 235 GLY N N 135.35 0.2 1 1143 269 236 TYR H H 7.750 0.02 1 1144 269 236 TYR C C 177.38 0.1 1 1145 269 236 TYR CA C 59.58 0.1 1 1146 269 236 TYR CB C 37.18 0.1 1 1147 269 236 TYR N N 118.87 0.2 1 1148 270 237 TRP H H 7.808 0.02 1 1149 270 237 TRP HE1 H 9.668 0.02 1 1150 270 237 TRP C C 173.55 0.1 1 1151 270 237 TRP CA C 58.23 0.1 1 1152 270 237 TRP CB C 26.08 0.1 1 1153 270 237 TRP N N 117.09 0.2 1 1154 270 237 TRP NE1 N 128.22 0.02 1 1155 271 238 PRO C C 178.48 0.1 1 1156 271 238 PRO CA C 64.73 0.1 1 1157 271 238 PRO CB C 31.32 0.1 1 1158 272 239 GLY H H 7.072 0.02 1 1159 272 239 GLY C C 171.00 0.1 1 1160 272 239 GLY CA C 43.92 0.1 1 1161 272 239 GLY N N 105.82 0.2 1 1162 273 240 ASN H H 7.736 0.02 1 1163 273 240 ASN C C 174.28 0.1 1 1164 273 240 ASN CA C 51.25 0.1 1 1165 273 240 ASN CB C 37.90 0.1 1 1166 273 240 ASN N N 113.27 0.2 1 1167 274 241 PRO C C 174.98 0.1 1 1168 274 241 PRO CA C 62.71 0.1 1 1169 274 241 PRO CB C 32.36 0.1 1 1170 275 242 ASP H H 8.072 0.02 1 1171 275 242 ASP C C 177.24 0.1 1 1172 275 242 ASP CA C 52.40 0.1 1 1173 275 242 ASP CB C 42.58 0.1 1 1174 275 242 ASP N N 120.66 0.2 1 1175 276 243 ALA H H 8.139 0.02 1 1176 276 243 ALA C C 178.53 0.1 1 1177 276 243 ALA CA C 54.57 0.1 1 1178 276 243 ALA CB C 18.70 0.1 1 1179 276 243 ALA N N 119.69 0.2 1 1180 277 244 THR H H 8.738 0.02 1 1181 277 244 THR C C 175.68 0.1 1 1182 277 244 THR CA C 66.05 0.1 1 1183 277 244 THR CB C 65.96 0.1 1 1184 277 244 THR N N 108.28 0.2 1 1185 278 245 THR H H 7.765 0.02 1 1186 278 245 THR C C 171.89 0.1 1 1187 278 245 THR CA C 63.22 0.1 1 1188 278 245 THR CB C 69.24 0.1 1 1189 278 245 THR N N 124.14 0.2 1 1190 279 246 PRO C C 174.59 0.1 1 1191 279 246 PRO CA C 62.49 0.1 1 1192 279 246 PRO CB C 31.11 0.1 1 1193 280 247 PHE H H 7.747 0.02 1 1194 280 247 PHE C C 174.67 0.1 1 1195 280 247 PHE CA C 56.23 0.1 1 1196 280 247 PHE CB C 42.02 0.1 1 1197 280 247 PHE N N 118.31 0.2 1 1198 281 248 PRO C C 174.94 0.1 1 1199 281 248 PRO CA C 62.54 0.1 1 1200 281 248 PRO CB C 35.20 0.1 1 1201 282 249 ALA H H 9.020 0.02 1 1202 282 249 ALA C C 175.91 0.1 1 1203 282 249 ALA CA C 50.47 0.1 1 1204 282 249 ALA CB C 23.37 0.1 1 1205 282 249 ALA N N 127.26 0.2 1 1206 283 250 LYS H H 8.438 0.02 1 1207 283 250 LYS C C 174.41 0.1 1 1208 283 250 LYS CA C 55.67 0.1 1 1209 283 250 LYS CB C 34.74 0.1 1 1210 283 250 LYS N N 119.44 0.2 1 1211 284 251 MET H H 9.089 0.02 1 1212 284 251 MET C C 172.94 0.1 1 1213 284 251 MET CA C 54.96 0.1 1 1214 284 251 MET CB C 35.77 0.1 1 1215 284 251 MET N N 125.32 0.2 1 1216 285 252 VAL H H 8.303 0.02 1 1217 285 252 VAL C C 174.63 0.1 1 1218 285 252 VAL CA C 61.36 0.1 1 1219 285 252 VAL CB C 33.44 0.1 1 1220 285 252 VAL N N 126.16 0.2 1 1221 286 253 VAL H H 9.945 0.02 1 1222 286 253 VAL C C 175.12 0.1 1 1223 286 253 VAL CA C 60.34 0.1 1 1224 286 253 VAL CB C 32.84 0.1 1 1225 286 253 VAL N N 128.23 0.2 1 1226 287 254 ASP H H 9.341 0.02 1 1227 287 254 ASP C C 177.76 0.1 1 1228 287 254 ASP CA C 55.56 0.1 1 1229 287 254 ASP CB C 42.49 0.1 1 1230 287 254 ASP N N 124.59 0.2 1 1231 288 255 TYR H H 7.200 0.02 1 1232 288 255 TYR C C 173.95 0.1 1 1233 288 255 TYR CA C 56.40 0.1 1 1234 288 255 TYR CB C 39.81 0.1 1 1235 288 255 TYR N N 111.95 0.2 1 1236 289 256 VAL H H 8.368 0.02 1 1237 289 256 VAL C C 174.60 0.1 1 1238 289 256 VAL CA C 62.48 0.1 1 1239 289 256 VAL CB C 35.05 0.1 1 1240 289 256 VAL N N 117.36 0.2 1 1241 290 257 ARG H H 9.903 0.02 1 1242 290 257 ARG C C 173.21 0.1 1 1243 290 257 ARG CA C 55.73 0.1 1 1244 290 257 ARG CB C 37.10 0.1 1 1245 290 257 ARG N N 126.25 0.2 1 1246 291 258 VAL H H 8.682 0.02 1 1247 291 258 VAL C C 174.51 0.1 1 1248 291 258 VAL CA C 60.91 0.1 1 1249 291 258 VAL CB C 34.88 0.1 1 1250 291 258 VAL N N 119.13 0.2 1 1251 292 259 TYR H H 9.378 0.02 1 1252 292 259 TYR C C 175.39 0.1 1 1253 292 259 TYR CA C 55.80 0.1 1 1254 292 259 TYR CB C 43.13 0.1 1 1255 292 259 TYR N N 126.04 0.2 1 1256 293 260 SER H H 9.887 0.02 1 1257 293 260 SER C C 174.63 0.1 1 1258 293 260 SER CA C 57.16 0.1 1 1259 293 260 SER CB C 66.04 0.1 1 1260 293 260 SER N N 115.01 0.2 1 1261 294 261 PHE H H 7.325 0.02 1 1262 294 261 PHE C C 174.59 0.1 1 1263 294 261 PHE CA C 58.52 0.1 1 1264 294 261 PHE CB C 39.81 0.1 1 1265 294 261 PHE N N 125.40 0.2 1 1266 295 262 VAL H H 7.788 0.02 1 1267 295 262 VAL C C 174.12 0.1 1 1268 295 262 VAL CA C 62.30 0.1 1 1269 295 262 VAL CB C 33.01 0.1 1 1270 295 262 VAL N N 125.82 0.2 1 1271 296 263 SER H H 7.291 0.02 1 1272 296 263 SER C C 172.93 0.1 1 1273 296 263 SER CA C 58.05 0.1 1 1274 296 263 SER CB C 64.18 0.1 1 1275 296 263 SER N N 116.13 0.2 1 1276 297 264 GLY H H 7.675 0.02 1 1277 297 264 GLY C C 178.29 0.1 1 1278 297 264 GLY CA C 46.06 0.1 1 1279 297 264 GLY N N 116.00 0.2 1 stop_ save_