data_4022 #Corrected using PDB structure: 1HCB_ # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 13 P HA 3.61 2.00 # 59 I HA 5.55 4.80 # 77 S HA 6.12 5.06 # 92 Q HA 6.02 5.31 #123 W HA 6.33 5.58 #125 S HA 4.68 3.96 #150 V HA 4.94 4.05 #220 S HA 4.86 4.04 #244 N HA 4.86 3.14 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #220 S CA 56.49 62.20 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #107 H H 10.86 8.02 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.03 0.09 -0.03 0.04 0.10 0.06 # #bmr4022.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4022.str file): #HA CA CB CO N HN #N/A +0.03 +0.03 +0.04 +0.10 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.09 +/-0.11 +/-0.09 +/-0.20 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.849 0.967 0.996 0.838 0.904 0.759 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.159 0.700 0.833 0.668 1.528 0.342 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential NMR Assignment of 1H, 13C, and 15N Resonances of Human Carbonic Anhydrase I (HCAI) by Triple-Resonance NMR Techniques and Extensive Amino Acid Specific 15N Labeling ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sethson Ingmar . . 2 Edlund Ulf . . 3 Holak Tadeusz A. . 4 Ross Alfred . . 5 Jonsson Bengt-Harald . . stop_ _BMRB_accession_number 4022 _BMRB_flat_file_name bmr4022.str _Entry_type reformat _Submission_date 1996-10-20 _Accession_date 1997-04-25 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 825 '13C chemical shifts' 743 '15N chemical shifts' 243 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-10-15 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Sethson, I., Edlund, U., Holak, T.A., Ross, A., and Johnson, B-H., "Sequential Assignment of 1H, 13C and 15N Resonances of Human Carbonic Anhydrase I by Triple-resonance NMR Techniques and Extensive Amino Acid-Specific 15N-Labeling," J. Biomol. NMR 8, 417-428 (1996). ; _Citation_title ; Sequential Assignment of 1H, 13C and 15N Resonances of Human Carbonic Anhydrase I by Triple-Resonance NMR Techniques and Extensive Amino Acid-Specific 15N-Labeling ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 97161090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sethson Ingmar . . 2 Edlund Ulf . . 3 Holak Tadeusz A. . 4 Ross Alfred . . 5 Jonsson Bengt-Harald . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 8 _Journal_issue 4 _Page_first 417 _Page_last 428 _Year 1996 save_ ################################## # Molecular system description # ################################## save_system_HCA_I _Saveframe_category molecular_system _Mol_system_name 'human carbonic anhydrase I' _Abbreviation_common 'HCA I' loop_ _Mol_system_component_name _Mol_label 'HCA I' $HCA_I stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully reduced' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1CZM "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . PDB 1BZM "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . PDB 1HCB "Carbonic Anhydrase I (E.C.4.2.1.1) Complexed With Bicarbonate" . PDB 1HUH "Carbonic Anhydrase I (E.C.4.2.1.1) Complexed With Iodide Inhibitor" . PDB 1AZM "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . PDB 1HUG "Carbonic Anhydrase I (E.C.4.2.1.1) Complexed With Gold Cyanide Inhibitor" . PDB 1CRM "Carbonic Anhydrase I (Carbonate Dehydratase I, Hca I) (E.C.4.2.1.1) Complexed With Mercuric Chloride" . PDB 2CAB "Carbonic Anhydrase Form B (Carbonate Dehydratase) (E.C.4.2.1.1)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_HCA_I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human carbonic anhydrase I' _Name_variant 'human carbonic anhydrase B' _Abbreviation_common 'HCA I' _Enzyme_commission_number 4.2.1.1 _Molecular_mass 29500 ############################## # Polymer residue sequence # ############################## _Residue_count 260 _Mol_residue_sequence ; ASPDWGYDDKNGPEQWSKLY PIANGNNQSPVDIKTSETKH DTSLKPISVSYNPATAKEII NVGHSFHVNFEDNDNRSVLK GGPFSDSYRLFQFHFHWGST NEHGSEHTVDGVKYSAELHV AHWNSAKYSSLAEAASKADG LAVIGVLMKVGEANPKLQKV LDALQAIKTKGKRAPFTNFD PSTLLPSSLDFWTYPGSLTH PPLYESVTWIICKESISVSS EQLAQFRSLLSNVEGDNAVP MQHNNRPTQPLKGRTVRASF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 PRO 4 ASP 5 TRP 6 GLY 7 TYR 8 ASP 9 ASP 10 LYS 11 ASN 12 GLY 13 PRO 14 GLU 15 GLN 16 TRP 17 SER 18 LYS 19 LEU 20 TYR 21 PRO 22 ILE 23 ALA 24 ASN 25 GLY 26 ASN 27 ASN 28 GLN 29 SER 30 PRO 31 VAL 32 ASP 33 ILE 34 LYS 35 THR 36 SER 37 GLU 38 THR 39 LYS 40 HIS 41 ASP 42 THR 43 SER 44 LEU 45 LYS 46 PRO 47 ILE 48 SER 49 VAL 50 SER 51 TYR 52 ASN 53 PRO 54 ALA 55 THR 56 ALA 57 LYS 58 GLU 59 ILE 60 ILE 61 ASN 62 VAL 63 GLY 64 HIS 65 SER 66 PHE 67 HIS 68 VAL 69 ASN 70 PHE 71 GLU 72 ASP 73 ASN 74 ASP 75 ASN 76 ARG 77 SER 78 VAL 79 LEU 80 LYS 81 GLY 82 GLY 83 PRO 84 PHE 85 SER 86 ASP 87 SER 88 TYR 89 ARG 90 LEU 91 PHE 92 GLN 93 PHE 94 HIS 95 PHE 96 HIS 97 TRP 98 GLY 99 SER 100 THR 101 ASN 102 GLU 103 HIS 104 GLY 105 SER 106 GLU 107 HIS 108 THR 109 VAL 110 ASP 111 GLY 112 VAL 113 LYS 114 TYR 115 SER 116 ALA 117 GLU 118 LEU 119 HIS 120 VAL 121 ALA 122 HIS 123 TRP 124 ASN 125 SER 126 ALA 127 LYS 128 TYR 129 SER 130 SER 131 LEU 132 ALA 133 GLU 134 ALA 135 ALA 136 SER 137 LYS 138 ALA 139 ASP 140 GLY 141 LEU 142 ALA 143 VAL 144 ILE 145 GLY 146 VAL 147 LEU 148 MET 149 LYS 150 VAL 151 GLY 152 GLU 153 ALA 154 ASN 155 PRO 156 LYS 157 LEU 158 GLN 159 LYS 160 VAL 161 LEU 162 ASP 163 ALA 164 LEU 165 GLN 166 ALA 167 ILE 168 LYS 169 THR 170 LYS 171 GLY 172 LYS 173 ARG 174 ALA 175 PRO 176 PHE 177 THR 178 ASN 179 PHE 180 ASP 181 PRO 182 SER 183 THR 184 LEU 185 LEU 186 PRO 187 SER 188 SER 189 LEU 190 ASP 191 PHE 192 TRP 193 THR 194 TYR 195 PRO 196 GLY 197 SER 198 LEU 199 THR 200 HIS 201 PRO 202 PRO 203 LEU 204 TYR 205 GLU 206 SER 207 VAL 208 THR 209 TRP 210 ILE 211 ILE 212 CYS 213 LYS 214 GLU 215 SER 216 ILE 217 SER 218 VAL 219 SER 220 SER 221 GLU 222 GLN 223 LEU 224 ALA 225 GLN 226 PHE 227 ARG 228 SER 229 LEU 230 LEU 231 SER 232 ASN 233 VAL 234 GLU 235 GLY 236 ASP 237 ASN 238 ALA 239 VAL 240 PRO 241 MET 242 GLN 243 HIS 244 ASN 245 ASN 246 ARG 247 PRO 248 THR 249 GLN 250 PRO 251 LEU 252 LYS 253 GLY 254 ARG 255 THR 256 VAL 257 ARG 258 ALA 259 SER 260 PHE stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-03 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 1AZM "Drug-Protein Interactions: Structure OfSulfonamide Drug Complexed With Human Carbonic AnhydraseI" 100.00 260 100 100 10e-153 PDB 1BZM "Drug-Protein Interactions: Structure OfSulfonamide Drug Complexed With Human Carbonic AnhydraseI" 100.00 260 100 100 10e-153 PDB 1CZM "Drug-Protein Interactions: Structure OfSulfonamide Drug Complexed With Human Carbonic AnhydraseI" 100.00 260 100 100 10e-153 PDB 1HCB "Carbonic Anhydrase I (E.C.4.2.1.1) ComplexedWith Bicarbonate" 100.00 260 100 100 10e-153 PDB 1HUG "Carbonic Anhydrase I (E.C.4.2.1.1) ComplexedWith Gold Cyanide Inhibitor" 100.00 260 100 100 10e-153 PDB 1HUH "Carbonic Anhydrase I (E.C.4.2.1.1) ComplexedWith Iodide Inhibitor" 100.00 260 100 100 10e-153 PDB 1CRM "Carbonic Anhydrase I (Carbonate Dehydratase I,Hca I) (E.C.4.2.1.1) Complexed With Mercuric Chloride" 100.00 260 99 100 1e-150 PDB 1J9W "A Chain A, Solution Structure Of The CaiMichigan 1 Variant" 100.00 260 100 100 1e-151 PDB 1JV0 "A Chain A, The Crystal Structure Of TheZinc(Ii) Adduct Of The Cai Michigan 1 Variant" 100.00 260 100 100 1e-151 PDB 2CAB "Carbonic Anhydrase Form B (CarbonateDehydratase) (E.C.4.2.1.1)" 99.62 261 99 100 1e-150 EMBL CAA28663.1 "unnamed protein product [Homo sapiens]" 99.62 261 100 100 10e-153 GenBank AAA51910.1 "carbonic anhydrase I (EC 4.2.1.1)" 99.62 261 100 100 10e-153 GenBank AAH27890.1 "CA1 protein [Homo sapiens]" 99.62 261 100 100 10e-153 PIR CRHU1 "carbonate dehydratase (EC 4.2.1.1) I[validated] - human" 99.62 261 100 100 10e-153 PIR JN0835 "carbonate dehydratase (EC 4.2.1.1) I -chimpanzee" 99.62 261 99 100 1e-151 PIR JN0836 "carbonate dehydratase (EC 4.2.1.1) I -gorilla" 99.62 261 98 99 1e-149 REF NP_001729.1 "carbonic anhydrase I; carbonicdehydratase [Homo sapiens]" 99.62 261 100 100 10e-153 SWISS-PROT P00915 "CAH1_HUMAN Carbonic anhydrase I (Carbonatedehydratase I) (CA-I) (Carbonic anhydrase B)" 99.62 261 100 100 10e-153 SWISS-PROT Q7M317 "CAH1_PANTR Carbonic anhydrase I (Carbonatedehydratase I) (CA-I)" 99.62 261 99 100 1e-151 SWISS-PROT Q7M316 "CAH1_GORGO Carbonic anhydrase I (Carbonatedehydratase I) (CA-I)" 99.62 261 98 99 1e-149 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $HCA_I human 9606 Eukaryota Metazoa Homo sapiens generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $HCA_I 'recombinant technology' 'E. coli' Escherichia coli BL21 (DE3) plasmid pHCAI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HCA_I 0.8 mM . . '[U-15N]' D2O 5 % . . . H2O 95 % . . . 'phosphate buffer' 40 mM . . . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HCA_I 0.8 mM . . '[U-13C]' D2O 5 % . . . H2O 95 % . . . 'phosphate buffer' 40 mM . . . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details ; 15N residue selective labeling of the following amino acids: Ala,Gly, His, Ile, Leu, Lys, Phe, Ser, Trp and Val listed below ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HCA_I 0.8 mM . . ; [15N]-Ala;[15N]-Gly;[15N]-His;[15N]-Ile;[15N]-Leu;[15N]-Lys;[15N]-Phe; [15N]-Ser;[15N]-Trp;[15N]-Val ; D2O 5 % . . . H2O 95 % . . . 'phosphate buffer' 40 mM . . . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_type _Indirect_shift_ratio H2O H 1 protons ppm 4.72 direct . DSS C 13 'methyl protons' ppm 0.00 indirect 0.251449530 DSS N 15 'methyl protons' ppm 0.00 indirect 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one $sample_two $sample_three stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'HCA I' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ALA H H 8.27 0.01 1 2 1 ALA N N 124.60 0.2 1 3 1 ALA CA C 51.93 0.2 1 4 1 ALA CB C 19.43 0.2 1 5 1 ALA C C 173.94 0.2 1 6 1 ALA HA H 4.13 0.01 1 7 2 SER H H 8.25 0.01 1 8 2 SER N N 116.60 0.2 1 9 2 SER CA C 57.53 0.2 1 10 2 SER CB C 63.33 0.2 1 11 2 SER C C 170.24 0.2 1 12 2 SER HA H 4.00 0.01 1 13 3 PRO CA C 63.13 0.2 1 14 3 PRO CB C 32.23 0.2 1 15 3 PRO C C 176.64 0.2 1 16 3 PRO HA H 4.46 0.01 1 17 3 PRO HB2 H 2.21 0.01 2 18 3 PRO HB3 H 1.83 0.01 2 19 4 ASP H H 8.44 0.01 1 20 4 ASP N N 121.80 0.2 1 21 4 ASP CA C 54.63 0.2 1 22 4 ASP CB C 41.33 0.2 1 23 4 ASP C C 174.64 0.2 1 24 4 ASP HA H 4.55 0.01 1 25 4 ASP HB2 H 2.63 0.01 1 26 4 ASP HB3 H 2.63 0.01 1 27 5 TRP H H 7.40 0.01 1 28 5 TRP N N 116.00 0.2 1 29 5 TRP CA C 54.73 0.2 1 30 5 TRP CB C 31.43 0.2 1 31 5 TRP C C 173.94 0.2 1 32 5 TRP HA H 4.96 0.01 1 33 5 TRP HB2 H 3.26 0.01 2 34 5 TRP HB3 H 2.99 0.01 2 35 6 GLY H H 8.26 0.01 1 36 6 GLY N N 110.00 0.2 1 37 6 GLY CA C 45.43 0.2 1 38 6 GLY C C 171.64 0.2 1 39 6 GLY HA2 H 3.71 0.01 2 40 6 GLY HA3 H 3.66 0.01 2 41 7 TYR H H 9.06 0.01 1 42 7 TYR N N 118.60 0.2 1 43 7 TYR CA C 58.63 0.2 1 44 7 TYR CB C 39.73 0.2 1 45 7 TYR C C 175.54 0.2 1 46 7 TYR HA H 4.89 0.01 1 47 7 TYR HB2 H 3.20 0.01 2 48 7 TYR HB3 H 2.38 0.01 2 49 8 ASP H H 8.29 0.01 1 50 8 ASP N N 122.50 0.2 1 51 8 ASP CA C 53.93 0.2 1 52 8 ASP CB C 42.23 0.2 1 53 8 ASP C C 175.64 0.2 1 54 8 ASP HA H 5.07 0.01 1 55 8 ASP HB2 H 2.90 0.01 1 56 8 ASP HB3 H 2.90 0.01 1 57 9 ASP H H 8.45 0.01 1 58 9 ASP N N 117.40 0.2 1 59 9 ASP CA C 56.93 0.2 1 60 9 ASP CB C 40.53 0.2 1 61 9 ASP C C 177.94 0.2 1 62 9 ASP HA H 4.35 0.01 1 63 9 ASP HB2 H 2.65 0.01 1 64 9 ASP HB3 H 2.65 0.01 1 65 10 LYS H H 8.38 0.01 1 66 10 LYS N N 116.80 0.2 1 67 10 LYS CA C 57.33 0.2 1 68 10 LYS CB C 32.73 0.2 1 69 10 LYS C C 177.04 0.2 1 70 10 LYS HA H 4.25 0.01 1 71 10 LYS HB2 H 1.80 0.01 1 72 10 LYS HB3 H 1.80 0.01 1 73 11 ASN H H 7.94 0.01 1 74 11 ASN N N 118.20 0.2 1 75 11 ASN CA C 52.23 0.2 1 76 11 ASN CB C 38.83 0.2 1 77 11 ASN C C 176.04 0.2 1 78 11 ASN HA H 4.79 0.01 1 79 11 ASN HB2 H 3.13 0.01 2 80 11 ASN HB3 H 2.73 0.01 2 81 12 GLY H H 7.52 0.01 1 82 12 GLY N N 109.20 0.2 1 83 12 GLY CA C 45.53 0.2 1 84 12 GLY HA2 H 4.94 0.01 2 85 12 GLY HA3 H 3.88 0.01 2 86 13 PRO CA C 64.23 0.2 1 87 13 PRO CB C 32.03 0.2 1 88 13 PRO HA H 3.58 0.01 1 89 13 PRO HB2 H 1.70 0.01 2 90 13 PRO HB3 H 1.41 0.01 2 91 14 GLU H H 8.69 0.01 1 92 14 GLU N N 117.00 0.2 1 93 14 GLU CA C 58.53 0.2 1 94 14 GLU CB C 28.73 0.2 1 95 14 GLU C C 177.04 0.2 1 96 14 GLU HA H 4.01 0.01 1 97 14 GLU HB2 H 2.05 0.01 2 98 14 GLU HB3 H 1.90 0.01 2 99 15 GLN H H 8.50 0.01 1 100 15 GLN N N 116.10 0.2 1 101 15 GLN CA C 55.13 0.2 1 102 15 GLN CB C 29.13 0.2 1 103 15 GLN C C 178.24 0.2 1 104 15 GLN HA H 4.55 0.01 1 105 15 GLN HB2 H 2.37 0.01 2 106 15 GLN HB3 H 2.01 0.01 2 107 16 TRP H H 7.42 0.01 1 108 16 TRP N N 120.80 0.2 1 109 16 TRP CA C 58.53 0.2 1 110 16 TRP CB C 29.23 0.2 1 111 16 TRP C C 178.04 0.2 1 112 16 TRP HA H 4.60 0.01 1 113 17 SER H H 9.01 0.01 1 114 17 SER N N 113.30 0.2 1 115 17 SER CA C 60.23 0.2 1 116 17 SER CB C 62.03 0.2 1 117 17 SER C C 174.94 0.2 1 118 17 SER HA H 4.27 0.01 1 119 17 SER HB2 H 3.81 0.01 1 120 17 SER HB3 H 3.81 0.01 1 121 18 LYS H H 7.45 0.01 1 122 18 LYS N N 120.50 0.2 1 123 18 LYS CA C 58.63 0.2 1 124 18 LYS CB C 32.33 0.2 1 125 18 LYS C C 177.34 0.2 1 126 18 LYS HA H 4.05 0.01 1 127 18 LYS HB2 H 1.91 0.01 1 128 18 LYS HB3 H 1.91 0.01 1 129 19 LEU H H 7.29 0.01 1 130 19 LEU N N 117.50 0.2 1 131 19 LEU CA C 55.23 0.2 1 132 19 LEU CB C 44.83 0.2 1 133 19 LEU C C 176.34 0.2 1 134 19 LEU HA H 4.19 0.01 1 135 19 LEU HB2 H 1.65 0.01 2 136 19 LEU HB3 H 1.03 0.01 2 137 20 TYR H H 8.39 0.01 1 138 20 TYR N N 116.50 0.2 1 139 20 TYR CA C 55.03 0.2 1 140 20 TYR CB C 39.03 0.2 1 141 21 PRO CA C 65.23 0.2 1 142 21 PRO CB C 31.83 0.2 1 143 21 PRO C C 178.44 0.2 1 144 21 PRO HA H 4.41 0.01 1 145 21 PRO HB2 H 2.37 0.01 2 146 21 PRO HB3 H 1.89 0.01 2 147 22 ILE H H 7.99 0.01 1 148 22 ILE N N 119.80 0.2 1 149 22 ILE CA C 60.73 0.2 1 150 22 ILE CB C 38.93 0.2 1 151 22 ILE C C 174.94 0.2 1 152 22 ILE HA H 4.13 0.01 1 153 22 ILE HB H 1.82 0.01 1 154 23 ALA H H 8.48 0.01 1 155 23 ALA N N 123.60 0.2 1 156 23 ALA CA C 53.73 0.2 1 157 23 ALA CB C 18.63 0.2 1 158 23 ALA C C 178.54 0.2 1 159 23 ALA HA H 4.10 0.01 1 160 23 ALA HB H 1.22 0.01 1 161 24 ASN H H 7.17 0.01 1 162 24 ASN N N 112.30 0.2 1 163 24 ASN CA C 52.23 0.2 1 164 24 ASN CB C 38.53 0.2 1 165 24 ASN C C 175.54 0.2 1 166 24 ASN HA H 5.03 0.01 1 167 24 ASN HB2 H 3.17 0.01 2 168 24 ASN HB3 H 2.59 0.01 2 169 25 GLY H H 8.35 0.01 1 170 25 GLY N N 108.80 0.2 1 171 25 GLY CA C 45.03 0.2 1 172 25 GLY C C 173.54 0.2 1 173 25 GLY HA2 H 4.26 0.01 2 174 25 GLY HA3 H 4.09 0.01 2 175 26 ASN H H 9.26 0.01 1 176 26 ASN N N 116.80 0.2 1 177 26 ASN CA C 54.13 0.2 1 178 26 ASN CB C 39.43 0.2 1 179 26 ASN C C 175.04 0.2 1 180 26 ASN HA H 4.69 0.01 1 181 26 ASN HB2 H 2.64 0.01 1 182 26 ASN HB3 H 2.64 0.01 1 183 27 ASN H H 8.78 0.01 1 184 27 ASN N N 119.50 0.2 1 185 27 ASN CA C 51.43 0.2 1 186 27 ASN CB C 39.83 0.2 1 187 27 ASN C C 174.54 0.2 1 188 27 ASN HA H 4.90 0.01 1 189 27 ASN HB2 H 2.71 0.01 2 190 27 ASN HB3 H 2.25 0.01 2 191 28 GLN H H 7.57 0.01 1 192 28 GLN N N 114.60 0.2 1 193 28 GLN CA C 55.53 0.2 1 194 28 GLN CB C 31.93 0.2 1 195 28 GLN HA H 4.44 0.01 1 196 29 SER H H 8.10 0.01 1 197 29 SER N N 117.60 0.2 1 198 29 SER CA C 57.03 0.2 1 199 29 SER CB C 63.23 0.2 1 200 29 SER C C 172.34 0.2 1 201 29 SER HA H 4.81 0.01 1 202 30 PRO CA C 61.83 0.2 1 203 30 PRO CB C 33.43 0.2 1 204 30 PRO C C 172.94 0.2 1 205 30 PRO HA H 3.70 0.01 1 206 31 VAL H H 6.13 0.01 1 207 31 VAL N N 107.20 0.2 1 208 31 VAL CA C 59.03 0.2 1 209 31 VAL CB C 35.53 0.2 1 210 31 VAL C C 173.14 0.2 1 211 31 VAL HA H 4.60 0.01 1 212 31 VAL HB H 1.79 0.01 1 213 32 ASP H H 8.41 0.01 1 214 32 ASP N N 119.30 0.2 1 215 32 ASP CA C 52.43 0.2 1 216 32 ASP CB C 42.33 0.2 1 217 32 ASP C C 175.14 0.2 1 218 32 ASP HA H 4.89 0.01 1 219 32 ASP HB2 H 2.30 0.01 2 220 32 ASP HB3 H 2.16 0.01 2 221 33 ILE H H 8.46 0.01 1 222 33 ILE N N 128.00 0.2 1 223 33 ILE CA C 61.63 0.2 1 224 33 ILE CB C 37.63 0.2 1 225 33 ILE C C 173.94 0.2 1 226 33 ILE HA H 3.31 0.01 1 227 33 ILE HB H 1.34 0.01 1 228 34 LYS H H 8.02 0.01 1 229 34 LYS N N 129.30 0.2 1 230 34 LYS CA C 54.23 0.2 1 231 34 LYS CB C 31.73 0.2 1 232 34 LYS C C 179.14 0.2 1 233 34 LYS HA H 4.84 0.01 1 234 34 LYS HB2 H 1.62 0.01 1 235 34 LYS HB3 H 1.62 0.01 1 236 35 THR H H 10.08 0.01 1 237 35 THR N N 123.50 0.2 1 238 35 THR CA C 66.23 0.2 1 239 35 THR CB C 68.93 0.2 1 240 35 THR C C 177.94 0.2 1 241 35 THR HA H 3.80 0.01 1 242 35 THR HB H 4.36 0.01 1 243 36 SER H H 8.78 0.01 1 244 36 SER N N 117.00 0.2 1 245 36 SER CA C 59.93 0.2 1 246 36 SER CB C 62.83 0.2 1 247 36 SER C C 175.24 0.2 1 248 36 SER HA H 4.35 0.01 1 249 36 SER HB2 H 4.05 0.01 2 250 36 SER HB3 H 3.87 0.01 2 251 37 GLU H H 7.64 0.01 1 252 37 GLU N N 119.10 0.2 1 253 37 GLU CA C 55.43 0.2 1 254 37 GLU CB C 30.83 0.2 1 255 37 GLU C C 177.24 0.2 1 256 37 GLU HA H 4.60 0.01 1 257 37 GLU HB2 H 2.37 0.01 2 258 37 GLU HB3 H 1.72 0.01 2 259 38 THR H H 7.26 0.01 1 260 38 THR N N 112.60 0.2 1 261 38 THR CA C 61.43 0.2 1 262 38 THR CB C 71.13 0.2 1 263 38 THR C C 174.04 0.2 1 264 38 THR HA H 4.58 0.01 1 265 38 THR HB H 3.94 0.01 1 266 39 LYS H H 8.35 0.01 1 267 39 LYS N N 121.50 0.2 1 268 39 LYS CA C 54.03 0.2 1 269 39 LYS CB C 34.63 0.2 1 270 39 LYS HA H 4.60 0.01 1 271 39 LYS HB2 H 1.70 0.01 1 272 39 LYS HB3 H 1.70 0.01 1 273 40 HIS H H 9.12 0.01 1 274 40 HIS N N 126.40 0.2 1 275 40 HIS CA C 55.33 0.2 1 276 40 HIS CB C 27.93 0.2 1 277 40 HIS C C 173.74 0.2 1 278 40 HIS HA H 4.61 0.01 1 279 40 HIS HB2 H 3.03 0.01 1 280 40 HIS HB3 H 3.03 0.01 1 281 41 ASP H H 8.05 0.01 1 282 41 ASP N N 127.80 0.2 1 283 41 ASP CA C 52.53 0.2 1 284 41 ASP CB C 42.03 0.2 1 285 41 ASP C C 176.44 0.2 1 286 41 ASP HA H 4.87 0.01 1 287 41 ASP HB2 H 2.30 0.01 1 288 41 ASP HB3 H 2.30 0.01 1 289 42 THR H H 8.38 0.01 1 290 42 THR N N 116.70 0.2 1 291 42 THR CA C 63.13 0.2 1 292 42 THR CB C 68.43 0.2 1 293 42 THR C C 175.04 0.2 1 294 42 THR HA H 3.98 0.01 1 295 42 THR HB H 4.39 0.01 1 296 43 SER H H 8.73 0.01 1 297 43 SER N N 117.50 0.2 1 298 43 SER CA C 59.43 0.2 1 299 43 SER CB C 63.73 0.2 1 300 43 SER C C 175.34 0.2 1 301 43 SER HA H 4.35 0.01 1 302 43 SER HB2 H 3.86 0.01 1 303 43 SER HB3 H 3.86 0.01 1 304 44 LEU H H 7.03 0.01 1 305 44 LEU N N 122.70 0.2 1 306 44 LEU CA C 55.13 0.2 1 307 44 LEU CB C 42.03 0.2 1 308 44 LEU C C 175.94 0.2 1 309 44 LEU HA H 3.98 0.01 1 310 44 LEU HB2 H 1.76 0.01 2 311 44 LEU HB3 H 1.11 0.01 2 312 45 LYS H H 7.42 0.01 1 313 45 LYS N N 124.50 0.2 1 314 45 LYS CA C 53.63 0.2 1 315 45 LYS CB C 31.83 0.2 1 316 45 LYS C C 173.64 0.2 1 317 45 LYS HA H 4.64 0.01 1 318 45 LYS HB2 H 1.71 0.01 1 319 45 LYS HB3 H 1.71 0.01 1 320 46 PRO CA C 63.03 0.2 1 321 46 PRO CB C 31.83 0.2 1 322 46 PRO C C 179.54 0.2 1 323 46 PRO HA H 4.62 0.01 1 324 46 PRO HB2 H 2.36 0.01 2 325 46 PRO HB3 H 1.72 0.01 2 326 47 ILE H H 8.55 0.01 1 327 47 ILE N N 120.70 0.2 1 328 47 ILE CA C 60.53 0.2 1 329 47 ILE CB C 38.83 0.2 1 330 47 ILE C C 175.14 0.2 1 331 47 ILE HA H 4.38 0.01 1 332 47 ILE HB H 1.58 0.01 1 333 48 SER H H 8.50 0.01 1 334 48 SER N N 119.00 0.2 1 335 48 SER CA C 56.53 0.2 1 336 48 SER CB C 64.43 0.2 1 337 48 SER C C 173.04 0.2 1 338 48 SER HA H 4.61 0.01 1 339 48 SER HB2 H 3.47 0.01 1 340 48 SER HB3 H 3.47 0.01 1 341 49 VAL H H 8.32 0.01 1 342 49 VAL N N 120.50 0.2 1 343 49 VAL CA C 59.23 0.2 1 344 49 VAL CB C 33.13 0.2 1 345 49 VAL C C 175.24 0.2 1 346 49 VAL HA H 4.42 0.01 1 347 49 VAL HB H 1.03 0.01 1 348 50 SER H H 7.98 0.01 1 349 50 SER N N 119.50 0.2 1 350 50 SER CA C 56.03 0.2 1 351 50 SER CB C 62.83 0.2 1 352 50 SER C C 172.74 0.2 1 353 50 SER HA H 4.39 0.01 1 354 50 SER HB2 H 3.78 0.01 2 355 50 SER HB3 H 3.49 0.01 2 356 51 TYR H H 9.00 0.01 1 357 51 TYR N N 125.20 0.2 1 358 51 TYR CA C 52.43 0.2 1 359 51 TYR CB C 38.03 0.2 1 360 51 TYR C C 174.24 0.2 1 361 51 TYR HA H 5.25 0.01 1 362 51 TYR HB2 H 3.27 0.01 2 363 51 TYR HB3 H 2.64 0.01 2 364 52 ASN H H 8.66 0.01 1 365 52 ASN N N 120.90 0.2 1 366 52 ASN CA C 49.23 0.2 1 367 52 ASN CB C 41.03 0.2 1 368 52 ASN C C 175.54 0.2 1 369 52 ASN HA H 5.29 0.01 1 370 53 PRO CA C 64.43 0.2 1 371 53 PRO CB C 32.03 0.2 1 372 53 PRO C C 177.34 0.2 1 373 53 PRO HA H 4.52 0.01 1 374 53 PRO HB2 H 2.05 0.01 1 375 53 PRO HB3 H 2.05 0.01 1 376 54 ALA H H 8.40 0.01 1 377 54 ALA N N 120.10 0.2 1 378 54 ALA CA C 53.83 0.2 1 379 54 ALA CB C 18.33 0.2 1 380 54 ALA C C 178.84 0.2 1 381 54 ALA HA H 4.60 0.01 1 382 54 ALA HB H 1.45 0.01 1 383 55 THR H H 8.17 0.01 1 384 55 THR N N 104.40 0.2 1 385 55 THR CA C 62.83 0.2 1 386 55 THR CB C 70.73 0.2 1 387 55 THR C C 175.34 0.2 1 388 55 THR HA H 4.36 0.01 1 389 55 THR HB H 5.03 0.01 1 390 56 ALA H H 7.39 0.01 1 391 56 ALA N N 127.60 0.2 1 392 56 ALA CA C 55.03 0.2 1 393 56 ALA CB C 17.93 0.2 1 394 56 ALA C C 176.04 0.2 1 395 56 ALA HA H 3.18 0.01 1 396 56 ALA HB H 1.51 0.01 1 397 57 LYS H H 8.18 0.01 1 398 57 LYS N N 123.30 0.2 1 399 57 LYS CA C 57.73 0.2 1 400 57 LYS CB C 37.03 0.2 1 401 57 LYS C C 177.14 0.2 1 402 57 LYS HA H 4.78 0.01 1 403 57 LYS HB2 H 1.67 0.01 1 404 57 LYS HB3 H 1.67 0.01 1 405 58 GLU H H 7.79 0.01 1 406 58 GLU N N 116.10 0.2 1 407 58 GLU CA C 55.43 0.2 1 408 58 GLU CB C 33.63 0.2 1 409 58 GLU C C 171.54 0.2 1 410 58 GLU HA H 5.22 0.01 1 411 58 GLU HB2 H 1.92 0.01 1 412 58 GLU HB3 H 1.92 0.01 1 413 59 ILE H H 9.18 0.01 1 414 59 ILE N N 123.20 0.2 1 415 59 ILE CA C 58.33 0.2 1 416 59 ILE CB C 42.33 0.2 1 417 59 ILE C C 172.84 0.2 1 418 59 ILE HA H 5.52 0.01 1 419 59 ILE HB H 1.07 0.01 1 420 60 ILE H H 8.80 0.01 1 421 60 ILE N N 123.00 0.2 1 422 60 ILE CA C 59.23 0.2 1 423 60 ILE CB C 43.03 0.2 1 424 60 ILE C C 174.04 0.2 1 425 60 ILE HA H 5.15 0.01 1 426 60 ILE HB H 1.54 0.01 1 427 61 ASN H H 8.37 0.01 1 428 61 ASN N N 125.50 0.2 1 429 61 ASN CA C 53.13 0.2 1 430 61 ASN CB C 38.23 0.2 1 431 61 ASN C C 176.74 0.2 1 432 61 ASN HA H 4.55 0.01 1 433 61 ASN HB2 H 3.12 0.01 1 434 61 ASN HB3 H 3.12 0.01 1 435 62 VAL H H 7.84 0.01 1 436 62 VAL N N 119.50 0.2 1 437 62 VAL CA C 59.83 0.2 1 438 62 VAL CB C 30.23 0.2 1 439 62 VAL C C 176.54 0.2 1 440 62 VAL HA H 4.52 0.01 1 441 62 VAL HB H 2.20 0.01 1 442 63 GLY H H 9.76 0.01 1 443 63 GLY N N 116.30 0.2 1 444 63 GLY CA C 47.13 0.2 1 445 63 GLY HA2 H 4.52 0.01 2 446 63 GLY HA3 H 3.42 0.01 2 447 64 HIS H H 6.86 0.01 1 448 64 HIS N N 113.60 0.2 1 449 64 HIS CA C 54.63 0.2 1 450 64 HIS CB C 31.03 0.2 1 451 64 HIS C C 174.24 0.2 1 452 64 HIS HA H 4.62 0.01 1 453 65 SER H H 6.74 0.01 1 454 65 SER N N 110.60 0.2 1 455 65 SER CA C 56.33 0.2 1 456 65 SER CB C 62.83 0.2 1 457 65 SER C C 174.24 0.2 1 458 65 SER HA H 4.31 0.01 1 459 66 PHE H H 7.87 0.01 1 460 66 PHE N N 113.80 0.2 1 461 66 PHE CA C 55.83 0.2 1 462 66 PHE CB C 42.43 0.2 1 463 66 PHE C C 172.84 0.2 1 464 66 PHE HA H 5.50 0.01 1 465 66 PHE HB2 H 2.73 0.01 1 466 66 PHE HB3 H 2.73 0.01 1 467 67 HIS H H 9.12 0.01 1 468 67 HIS N N 121.00 0.2 1 469 67 HIS CA C 52.23 0.2 1 470 67 HIS CB C 35.23 0.2 1 471 67 HIS C C 173.84 0.2 1 472 67 HIS HA H 5.03 0.01 1 473 67 HIS HB2 H 2.88 0.01 1 474 67 HIS HB3 H 2.88 0.01 1 475 68 VAL H H 8.04 0.01 1 476 68 VAL N N 121.00 0.2 1 477 68 VAL CA C 61.43 0.2 1 478 68 VAL CB C 30.43 0.2 1 479 68 VAL C C 174.84 0.2 1 480 68 VAL HA H 4.55 0.01 1 481 68 VAL HB H 0.34 0.01 1 482 69 ASN H H 8.88 0.01 1 483 69 ASN N N 123.60 0.2 1 484 69 ASN CA C 52.33 0.2 1 485 69 ASN CB C 41.53 0.2 1 486 69 ASN C C 175.14 0.2 1 487 69 ASN HA H 5.76 0.01 1 488 69 ASN HB2 H 3.00 0.01 2 489 69 ASN HB3 H 2.66 0.01 2 490 70 PHE H H 8.22 0.01 1 491 70 PHE N N 119.50 0.2 1 492 70 PHE CA C 56.43 0.2 1 493 70 PHE CB C 41.83 0.2 1 494 70 PHE C C 176.04 0.2 1 495 70 PHE HA H 4.93 0.01 1 496 70 PHE HB2 H 2.48 0.01 1 497 70 PHE HB3 H 2.48 0.01 1 498 71 GLU H H 9.77 0.01 1 499 71 GLU N N 122.80 0.2 1 500 71 GLU CA C 57.73 0.2 1 501 71 GLU CB C 30.83 0.2 1 502 71 GLU C C 177.94 0.2 1 503 71 GLU HA H 4.39 0.01 1 504 71 GLU HB2 H 2.23 0.01 1 505 71 GLU HB3 H 2.23 0.01 1 506 72 ASP H H 8.97 0.01 1 507 72 ASP N N 128.40 0.2 1 508 72 ASP CA C 53.53 0.2 1 509 72 ASP CB C 40.73 0.2 1 510 72 ASP C C 175.64 0.2 1 511 72 ASP HA H 5.08 0.01 1 512 73 ASN H H 8.18 0.01 1 513 73 ASN N N 117.50 0.2 1 514 73 ASN CA C 54.13 0.2 1 515 73 ASN CB C 39.13 0.2 1 516 73 ASN C C 174.24 0.2 1 517 73 ASN HA H 4.84 0.01 1 518 73 ASN HB2 H 2.90 0.01 1 519 73 ASN HB3 H 2.90 0.01 1 520 74 ASP H H 8.14 0.01 1 521 74 ASP N N 119.50 0.2 1 522 74 ASP CA C 52.83 0.2 1 523 74 ASP CB C 41.53 0.2 1 524 74 ASP C C 175.34 0.2 1 525 74 ASP HA H 4.49 0.01 1 526 75 ASN H H 8.20 0.01 1 527 75 ASN N N 116.50 0.2 1 528 75 ASN CA C 52.13 0.2 1 529 75 ASN CB C 37.53 0.2 1 530 75 ASN C C 174.14 0.2 1 531 75 ASN HA H 4.77 0.01 1 532 76 ARG H H 7.53 0.01 1 533 76 ARG N N 119.50 0.2 1 534 76 ARG CA C 60.43 0.2 1 535 76 ARG CB C 32.13 0.2 1 536 76 ARG C C 177.74 0.2 1 537 76 ARG HA H 4.00 0.01 1 538 77 SER H H 9.91 0.01 1 539 77 SER N N 117.10 0.2 1 540 77 SER CA C 55.93 0.2 1 541 77 SER CB C 65.63 0.2 1 542 77 SER C C 173.64 0.2 1 543 77 SER HA H 6.09 0.01 1 544 78 VAL H H 8.52 0.01 1 545 78 VAL N N 117.40 0.2 1 546 78 VAL CA C 58.93 0.2 1 547 78 VAL CB C 37.73 0.2 1 548 78 VAL C C 173.14 0.2 1 549 78 VAL HA H 5.57 0.01 1 550 78 VAL HB H 1.93 0.01 1 551 79 LEU H H 8.94 0.01 1 552 79 LEU N N 124.70 0.2 1 553 79 LEU CA C 53.43 0.2 1 554 79 LEU CB C 45.73 0.2 1 555 79 LEU C C 173.84 0.2 1 556 79 LEU HA H 4.74 0.01 1 557 80 LYS H H 8.66 0.01 1 558 80 LYS N N 122.70 0.2 1 559 80 LYS CA C 54.63 0.2 1 560 80 LYS CB C 36.63 0.2 1 561 80 LYS C C 174.84 0.2 1 562 80 LYS HA H 4.71 0.01 1 563 80 LYS HB2 H 1.85 0.01 2 564 80 LYS HB3 H 1.66 0.01 2 565 81 GLY H H 8.70 0.01 1 566 81 GLY N N 105.90 0.2 1 567 81 GLY CA C 43.93 0.2 1 568 81 GLY C C 174.04 0.2 1 569 81 GLY HA2 H 4.47 0.01 2 570 81 GLY HA3 H 3.49 0.01 2 571 82 GLY H H 6.99 0.01 1 572 82 GLY N N 109.50 0.2 1 573 82 GLY CA C 44.63 0.2 1 574 82 GLY HA2 H 4.45 0.01 2 575 82 GLY HA3 H 3.45 0.01 2 576 83 PRO CA C 62.73 0.2 1 577 83 PRO CB C 32.13 0.2 1 578 83 PRO C C 175.44 0.2 1 579 83 PRO HA H 4.57 0.01 1 580 83 PRO HB2 H 1.89 0.01 2 581 83 PRO HB3 H 1.65 0.01 2 582 84 PHE H H 7.70 0.01 1 583 84 PHE N N 121.00 0.2 1 584 84 PHE CA C 57.63 0.2 1 585 84 PHE CB C 39.93 0.2 1 586 84 PHE C C 176.14 0.2 1 587 84 PHE HA H 4.88 0.01 1 588 84 PHE HB2 H 3.63 0.01 2 589 84 PHE HB3 H 3.30 0.01 2 590 85 SER H H 9.11 0.01 1 591 85 SER N N 118.20 0.2 1 592 85 SER CA C 59.13 0.2 1 593 85 SER CB C 64.03 0.2 1 594 85 SER C C 173.64 0.2 1 595 85 SER HA H 4.57 0.01 1 596 85 SER HB2 H 3.87 0.01 1 597 85 SER HB3 H 3.87 0.01 1 598 86 ASP H H 7.64 0.01 1 599 86 ASP N N 122.30 0.2 1 600 86 ASP CA C 53.43 0.2 1 601 86 ASP CB C 44.03 0.2 1 602 86 ASP C C 174.64 0.2 1 603 86 ASP HA H 4.81 0.01 1 604 86 ASP HB2 H 2.63 0.01 2 605 86 ASP HB3 H 2.28 0.01 2 606 87 SER H H 7.71 0.01 1 607 87 SER N N 113.90 0.2 1 608 87 SER CA C 57.73 0.2 1 609 87 SER CB C 64.53 0.2 1 610 87 SER C C 172.74 0.2 1 611 87 SER HA H 4.84 0.01 1 612 87 SER HB2 H 3.58 0.01 1 613 87 SER HB3 H 3.58 0.01 1 614 88 TYR H H 8.67 0.01 1 615 88 TYR N N 121.00 0.2 1 616 88 TYR CA C 56.23 0.2 1 617 88 TYR CB C 41.43 0.2 1 618 88 TYR C C 174.64 0.2 1 619 88 TYR HA H 4.72 0.01 1 620 88 TYR HB2 H 2.27 0.01 1 621 88 TYR HB3 H 2.27 0.01 1 622 89 ARG H H 9.04 0.01 1 623 89 ARG N N 123.40 0.2 1 624 89 ARG CA C 55.53 0.2 1 625 89 ARG CB C 32.53 0.2 1 626 89 ARG C C 176.64 0.2 1 627 89 ARG HA H 4.71 0.01 1 628 90 LEU H H 8.06 0.01 1 629 90 LEU N N 128.50 0.2 1 630 90 LEU CA C 56.23 0.2 1 631 90 LEU CB C 41.93 0.2 1 632 90 LEU C C 175.84 0.2 1 633 90 LEU HA H 3.92 0.01 1 634 91 PHE H H 8.82 0.01 1 635 91 PHE N N 118.20 0.2 1 636 91 PHE CA C 57.83 0.2 1 637 91 PHE CB C 41.93 0.2 1 638 91 PHE C C 174.54 0.2 1 639 91 PHE HA H 5.49 0.01 1 640 91 PHE HB2 H 3.69 0.01 2 641 91 PHE HB3 H 3.25 0.01 2 642 92 GLN H H 6.99 0.01 1 643 92 GLN N N 122.00 0.2 1 644 92 GLN CA C 56.03 0.2 1 645 92 GLN CB C 35.83 0.2 1 646 92 GLN C C 174.54 0.2 1 647 92 GLN HA H 5.99 0.01 1 648 93 PHE H H 8.96 0.01 1 649 93 PHE N N 117.00 0.2 1 650 93 PHE CA C 57.13 0.2 1 651 93 PHE CB C 44.03 0.2 1 652 93 PHE C C 172.14 0.2 1 653 93 PHE HA H 5.64 0.01 1 654 93 PHE HB2 H 3.42 0.01 2 655 93 PHE HB3 H 2.67 0.01 2 656 94 HIS H H 8.80 0.01 1 657 94 HIS N N 114.90 0.2 1 658 94 HIS CA C 55.33 0.2 1 659 94 HIS CB C 32.03 0.2 1 660 94 HIS C C 170.54 0.2 1 661 94 HIS HA H 4.33 0.01 1 662 95 PHE H H 9.80 0.01 1 663 95 PHE N N 117.40 0.2 1 664 95 PHE CA C 55.93 0.2 1 665 95 PHE CB C 42.83 0.2 1 666 95 PHE C C 175.04 0.2 1 667 95 PHE HA H 5.68 0.01 1 668 96 HIS H H 9.37 0.01 1 669 96 HIS N N 116.50 0.2 1 670 96 HIS CA C 53.73 0.2 1 671 96 HIS CB C 32.33 0.2 1 672 96 HIS C C 172.74 0.2 1 673 96 HIS HA H 5.02 0.01 1 674 96 HIS HB2 H 2.57 0.01 1 675 96 HIS HB3 H 2.57 0.01 1 676 97 TRP H H 8.99 0.01 1 677 97 TRP N N 118.40 0.2 1 678 97 TRP CA C 57.43 0.2 1 679 97 TRP CB C 30.63 0.2 1 680 97 TRP C C 173.04 0.2 1 681 97 TRP HA H 5.09 0.01 1 682 97 TRP HB2 H 3.39 0.01 1 683 97 TRP HB3 H 3.39 0.01 1 684 98 GLY H H 9.10 0.01 1 685 98 GLY N N 108.00 0.2 1 686 98 GLY CA C 43.03 0.2 1 687 98 GLY C C 173.94 0.2 1 688 98 GLY HA2 H 5.09 0.01 2 689 98 GLY HA3 H 4.27 0.01 2 690 99 SER H H 8.83 0.01 1 691 99 SER N N 115.00 0.2 1 692 99 SER CA C 61.13 0.2 1 693 99 SER CB C 63.43 0.2 1 694 99 SER C C 174.44 0.2 1 695 99 SER HA H 4.52 0.01 1 696 99 SER HB2 H 3.87 0.01 1 697 99 SER HB3 H 3.87 0.01 1 698 100 THR H H 7.97 0.01 1 699 100 THR N N 109.10 0.2 1 700 100 THR CA C 58.83 0.2 1 701 100 THR CB C 71.63 0.2 1 702 100 THR C C 176.14 0.2 1 703 100 THR HA H 4.61 0.01 1 704 101 ASN H H 9.14 0.01 1 705 101 ASN N N 119.00 0.2 1 706 101 ASN CA C 54.83 0.2 1 707 101 ASN CB C 37.53 0.2 1 708 101 ASN C C 175.44 0.2 1 709 101 ASN HA H 4.37 0.01 1 710 102 GLU H H 8.15 0.01 1 711 102 GLU N N 117.00 0.2 1 712 102 GLU CA C 58.53 0.2 1 713 102 GLU CB C 29.73 0.2 1 714 102 GLU C C 176.04 0.2 1 715 102 GLU HA H 4.00 0.01 1 716 102 GLU HB2 H 1.77 0.01 1 717 102 GLU HB3 H 1.77 0.01 1 718 103 HIS H H 7.05 0.01 1 719 103 HIS N N 113.80 0.2 1 720 103 HIS CA C 53.93 0.2 1 721 103 HIS CB C 31.63 0.2 1 722 103 HIS C C 173.04 0.2 1 723 103 HIS HA H 4.92 0.01 1 724 103 HIS HB2 H 3.05 0.01 1 725 103 HIS HB3 H 3.05 0.01 1 726 104 GLY H H 9.18 0.01 1 727 104 GLY N N 111.70 0.2 1 728 104 GLY CA C 46.73 0.2 1 729 104 GLY C C 171.34 0.2 1 730 104 GLY HA2 H 4.10 0.01 1 731 104 GLY HA3 H 4.10 0.01 1 732 105 SER H H 7.40 0.01 1 733 105 SER N N 110.80 0.2 1 734 105 SER CA C 58.23 0.2 1 735 105 SER CB C 63.73 0.2 1 736 105 SER C C 171.84 0.2 1 737 105 SER HA H 4.11 0.01 1 738 106 GLU H H 8.37 0.01 1 739 106 GLU N N 117.90 0.2 1 740 106 GLU CA C 58.63 0.2 1 741 106 GLU CB C 30.13 0.2 1 742 106 GLU C C 176.84 0.2 1 743 106 GLU HA H 4.41 0.01 1 744 107 HIS H H 10.80 0.01 1 745 107 HIS N N 118.70 0.2 1 746 107 HIS CA C 60.33 0.2 1 747 107 HIS CB C 28.63 0.2 1 748 107 HIS C C 173.44 0.2 1 749 107 HIS HA H 4.09 0.01 1 750 108 THR H H 7.49 0.01 1 751 108 THR N N 109.90 0.2 1 752 108 THR CA C 59.63 0.2 1 753 108 THR CB C 71.13 0.2 1 754 108 THR HA H 4.76 0.01 1 755 108 THR HB H 3.78 0.01 1 756 109 VAL H H 7.65 0.01 1 757 109 VAL N N 118.00 0.2 1 758 109 VAL CA C 61.23 0.2 1 759 109 VAL CB C 34.23 0.2 1 760 109 VAL C C 177.24 0.2 1 761 109 VAL HA H 4.63 0.01 1 762 109 VAL HB H 2.06 0.01 1 763 110 ASP H H 10.00 0.01 1 764 110 ASP N N 131.20 0.2 1 765 110 ASP CA C 56.53 0.2 1 766 110 ASP CB C 39.33 0.2 1 767 110 ASP C C 176.14 0.2 1 768 110 ASP HA H 4.36 0.01 1 769 110 ASP HB2 H 3.01 0.01 2 770 110 ASP HB3 H 2.73 0.01 2 771 111 GLY H H 10.40 0.01 1 772 111 GLY N N 107.60 0.2 1 773 111 GLY CA C 45.03 0.2 1 774 111 GLY C C 174.14 0.2 1 775 111 GLY HA2 H 3.99 0.01 2 776 111 GLY HA3 H 3.27 0.01 2 777 112 VAL H H 8.16 0.01 1 778 112 VAL N N 124.20 0.2 1 779 112 VAL CA C 63.53 0.2 1 780 112 VAL CB C 31.93 0.2 1 781 112 VAL C C 174.84 0.2 1 782 112 VAL HA H 3.78 0.01 1 783 112 VAL HB H 2.33 0.01 1 784 113 LYS H H 8.22 0.01 1 785 113 LYS N N 126.50 0.2 1 786 113 LYS CA C 55.93 0.2 1 787 113 LYS CB C 33.53 0.2 1 788 113 LYS C C 176.14 0.2 1 789 113 LYS HA H 4.26 0.01 1 790 114 TYR H H 8.17 0.01 1 791 114 TYR N N 123.10 0.2 1 792 114 TYR CA C 57.53 0.2 1 793 114 TYR CB C 38.53 0.2 1 794 114 TYR C C 175.74 0.2 1 795 114 TYR HA H 4.97 0.01 1 796 115 SER H H 8.55 0.01 1 797 115 SER N N 118.80 0.2 1 798 115 SER CA C 62.53 0.2 1 799 115 SER CB C 64.03 0.2 1 800 115 SER HA H 4.58 0.01 1 801 116 ALA H H 8.49 0.01 1 802 116 ALA N N 119.00 0.2 1 803 116 ALA CA C 52.03 0.2 1 804 116 ALA CB C 22.53 0.2 1 805 116 ALA C C 174.94 0.2 1 806 116 ALA HA H 4.70 0.01 1 807 116 ALA HB H 1.91 0.01 1 808 117 GLU H H 9.21 0.01 1 809 117 GLU N N 121.80 0.2 1 810 117 GLU CA C 56.23 0.2 1 811 117 GLU CB C 36.03 0.2 1 812 117 GLU C C 172.94 0.2 1 813 117 GLU HA H 5.30 0.01 1 814 118 LEU H H 9.51 0.01 1 815 118 LEU N N 130.20 0.2 1 816 118 LEU CA C 53.83 0.2 1 817 118 LEU CB C 43.93 0.2 1 818 118 LEU C C 174.74 0.2 1 819 118 LEU HA H 4.66 0.01 1 820 118 LEU HB2 H 1.79 0.01 1 821 118 LEU HB3 H 1.79 0.01 1 822 119 HIS H H 9.25 0.01 1 823 119 HIS N N 126.00 0.2 1 824 119 HIS CA C 52.53 0.2 1 825 119 HIS CB C 33.63 0.2 1 826 119 HIS C C 174.24 0.2 1 827 119 HIS HA H 4.94 0.01 1 828 120 VAL H H 9.32 0.01 1 829 120 VAL N N 122.90 0.2 1 830 120 VAL CA C 61.83 0.2 1 831 120 VAL CB C 32.43 0.2 1 832 120 VAL C C 174.44 0.2 1 833 120 VAL HA H 4.22 0.01 1 834 120 VAL HB H 2.10 0.01 1 835 121 ALA H H 9.11 0.01 1 836 121 ALA N N 131.80 0.2 1 837 121 ALA CA C 52.63 0.2 1 838 121 ALA CB C 23.03 0.2 1 839 121 ALA C C 174.54 0.2 1 840 121 ALA HA H 4.80 0.01 1 841 121 ALA HB H 0.83 0.01 1 842 122 HIS H H 8.45 0.01 1 843 122 HIS N N 118.70 0.2 1 844 122 HIS CA C 54.83 0.2 1 845 122 HIS CB C 34.33 0.2 1 846 122 HIS C C 174.94 0.2 1 847 122 HIS HA H 6.05 0.01 1 848 123 TRP H H 9.57 0.01 1 849 123 TRP N N 119.80 0.2 1 850 123 TRP CA C 54.83 0.2 1 851 123 TRP CB C 34.33 0.2 1 852 123 TRP C C 176.14 0.2 1 853 123 TRP HA H 6.30 0.01 1 854 123 TRP HB2 H 3.15 0.01 1 855 123 TRP HB3 H 3.15 0.01 1 856 124 ASN H H 9.15 0.01 1 857 124 ASN N N 118.60 0.2 1 858 124 ASN CA C 53.43 0.2 1 859 124 ASN CB C 37.43 0.2 1 860 124 ASN C C 173.14 0.2 1 861 124 ASN HA H 3.45 0.01 1 862 124 ASN HB2 H 2.73 0.01 1 863 124 ASN HB3 H 2.73 0.01 1 864 125 SER H H 7.39 0.01 1 865 125 SER N N 120.50 0.2 1 866 125 SER CA C 57.93 0.2 1 867 125 SER CB C 62.53 0.2 1 868 125 SER C C 175.54 0.2 1 869 125 SER HA H 4.65 0.01 1 870 125 SER HB2 H 3.64 0.01 2 871 125 SER HB3 H 1.95 0.01 2 872 126 ALA H H 7.82 0.01 1 873 126 ALA N N 125.90 0.2 1 874 126 ALA CA C 53.43 0.2 1 875 126 ALA CB C 19.03 0.2 1 876 126 ALA C C 179.24 0.2 1 877 126 ALA HA H 4.23 0.01 1 878 126 ALA HB H 1.40 0.01 1 879 127 LYS H H 6.59 0.01 1 880 127 LYS N N 114.50 0.2 1 881 127 LYS CA C 55.93 0.2 1 882 127 LYS CB C 34.63 0.2 1 883 127 LYS C C 175.74 0.2 1 884 127 LYS HA H 3.93 0.01 1 885 127 LYS HB2 H 0.65 0.01 1 886 127 LYS HB3 H 0.65 0.01 1 887 128 TYR H H 7.28 0.01 1 888 128 TYR N N 116.10 0.2 1 889 128 TYR CA C 56.03 0.2 1 890 128 TYR CB C 40.63 0.2 1 891 128 TYR C C 175.54 0.2 1 892 128 TYR HA H 5.06 0.01 1 893 128 TYR HB2 H 3.20 0.01 2 894 128 TYR HB3 H 2.97 0.01 2 895 129 SER H H 8.97 0.01 1 896 129 SER N N 112.80 0.2 1 897 129 SER CA C 59.23 0.2 1 898 129 SER CB C 64.63 0.2 1 899 129 SER C C 174.04 0.2 1 900 129 SER HA H 4.61 0.01 1 901 129 SER HB2 H 3.99 0.01 1 902 129 SER HB3 H 3.99 0.01 1 903 130 SER H H 7.21 0.01 1 904 130 SER N N 113.90 0.2 1 905 130 SER CA C 56.83 0.2 1 906 130 SER CB C 65.53 0.2 1 907 130 SER C C 171.94 0.2 1 908 130 SER HA H 3.85 0.01 1 909 131 LEU H H 7.53 0.01 1 910 131 LEU N N 122.90 0.2 1 911 131 LEU CA C 56.93 0.2 1 912 131 LEU CB C 39.93 0.2 1 913 131 LEU C C 176.84 0.2 1 914 131 LEU HA H 2.50 0.01 1 915 131 LEU HB2 H 0.96 0.01 1 916 131 LEU HB3 H 0.96 0.01 1 917 132 ALA H H 7.52 0.01 1 918 132 ALA N N 117.00 0.2 1 919 132 ALA CA C 54.53 0.2 1 920 132 ALA CB C 17.83 0.2 1 921 132 ALA C C 180.04 0.2 1 922 132 ALA HA H 3.64 0.01 1 923 132 ALA HB H 1.15 0.01 1 924 133 GLU H H 7.24 0.01 1 925 133 GLU N N 117.00 0.2 1 926 133 GLU CA C 58.23 0.2 1 927 133 GLU CB C 30.83 0.2 1 928 133 GLU C C 176.94 0.2 1 929 133 GLU HA H 3.76 0.01 1 930 133 GLU HB2 H 1.92 0.01 1 931 133 GLU HB3 H 1.92 0.01 1 932 134 ALA H H 7.52 0.01 1 933 134 ALA N N 119.90 0.2 1 934 134 ALA CA C 54.33 0.2 1 935 134 ALA CB C 20.33 0.2 1 936 134 ALA C C 179.84 0.2 1 937 134 ALA HA H 3.09 0.01 1 938 134 ALA HB H 1.49 0.01 1 939 135 ALA H H 8.02 0.01 1 940 135 ALA N N 114.30 0.2 1 941 135 ALA CA C 55.63 0.2 1 942 135 ALA CB C 17.83 0.2 1 943 135 ALA C C 175.64 0.2 1 944 135 ALA HA H 3.62 0.01 1 945 135 ALA HB H 1.27 0.01 1 946 136 SER H H 6.85 0.01 1 947 136 SER N N 104.30 0.2 1 948 136 SER CA C 56.53 0.2 1 949 136 SER CB C 63.33 0.2 1 950 136 SER C C 174.94 0.2 1 951 136 SER HA H 3.69 0.01 1 952 136 SER HB2 H 3.46 0.01 2 953 136 SER HB3 H 2.63 0.01 2 954 137 LYS H H 7.50 0.01 1 955 137 LYS N N 124.20 0.2 1 956 137 LYS CA C 53.53 0.2 1 957 137 LYS CB C 33.33 0.2 1 958 137 LYS C C 177.84 0.2 1 959 137 LYS HA H 4.39 0.01 1 960 137 LYS HB2 H 1.66 0.01 1 961 137 LYS HB3 H 1.66 0.01 1 962 138 ALA H H 8.63 0.01 1 963 138 ALA N N 123.30 0.2 1 964 138 ALA CA C 55.53 0.2 1 965 138 ALA CB C 18.83 0.2 1 966 138 ALA C C 177.84 0.2 1 967 138 ALA HA H 4.31 0.01 1 968 138 ALA HB H 1.49 0.01 1 969 139 ASP H H 8.16 0.01 1 970 139 ASP N N 113.30 0.2 1 971 139 ASP CA C 52.43 0.2 1 972 139 ASP CB C 39.53 0.2 1 973 139 ASP C C 179.34 0.2 1 974 139 ASP HA H 5.07 0.01 1 975 139 ASP HB2 H 3.14 0.01 2 976 139 ASP HB3 H 2.61 0.01 2 977 140 GLY H H 8.52 0.01 1 978 140 GLY N N 109.20 0.2 1 979 140 GLY CA C 48.73 0.2 1 980 140 GLY C C 174.94 0.2 1 981 140 GLY HA2 H 4.92 0.01 2 982 140 GLY HA3 H 3.93 0.01 2 983 141 LEU H H 8.66 0.01 1 984 141 LEU N N 116.00 0.2 1 985 141 LEU CA C 53.43 0.2 1 986 141 LEU CB C 46.03 0.2 1 987 141 LEU C C 176.54 0.2 1 988 141 LEU HA H 5.86 0.01 1 989 142 ALA H H 8.53 0.01 1 990 142 ALA N N 123.40 0.2 1 991 142 ALA CA C 50.83 0.2 1 992 142 ALA CB C 23.23 0.2 1 993 142 ALA C C 177.04 0.2 1 994 142 ALA HA H 4.94 0.01 1 995 142 ALA HB H 0.08 0.01 1 996 143 VAL H H 7.44 0.01 1 997 143 VAL N N 125.10 0.2 1 998 143 VAL CA C 59.73 0.2 1 999 143 VAL CB C 33.13 0.2 1 1000 143 VAL C C 173.84 0.2 1 1001 143 VAL HA H 4.89 0.01 1 1002 143 VAL HB H 0.07 0.01 1 1003 144 ILE H H 8.90 0.01 1 1004 144 ILE N N 126.10 0.2 1 1005 144 ILE CA C 59.73 0.2 1 1006 144 ILE CB C 40.13 0.2 1 1007 144 ILE C C 175.74 0.2 1 1008 144 ILE HA H 5.20 0.01 1 1009 144 ILE HB H 1.70 0.01 1 1010 145 GLY H H 10.23 0.01 1 1011 145 GLY N N 116.00 0.2 1 1012 145 GLY CA C 43.93 0.2 1 1013 145 GLY C C 171.84 0.2 1 1014 145 GLY HA2 H 6.17 0.01 2 1015 145 GLY HA3 H 3.58 0.01 2 1016 146 VAL H H 9.59 0.01 1 1017 146 VAL N N 124.70 0.2 1 1018 146 VAL CA C 60.23 0.2 1 1019 146 VAL CB C 34.63 0.2 1 1020 146 VAL C C 175.44 0.2 1 1021 146 VAL HA H 4.78 0.01 1 1022 146 VAL HB H 2.13 0.01 1 1023 147 LEU H H 10.40 0.01 1 1024 147 LEU N N 131.20 0.2 1 1025 147 LEU CA C 55.33 0.2 1 1026 147 LEU CB C 41.13 0.2 1 1027 147 LEU C C 175.94 0.2 1 1028 147 LEU HA H 4.39 0.01 1 1029 147 LEU HB2 H 1.35 0.01 2 1030 147 LEU HB3 H 0.68 0.01 2 1031 148 MET H H 8.19 0.01 1 1032 148 MET N N 117.60 0.2 1 1033 148 MET CA C 54.03 0.2 1 1034 148 MET CB C 34.73 0.2 1 1035 148 MET C C 174.84 0.2 1 1036 148 MET HA H 5.44 0.01 1 1037 148 MET HB2 H 1.80 0.01 1 1038 148 MET HB3 H 1.80 0.01 1 1039 149 LYS H H 9.30 0.01 1 1040 149 LYS N N 126.10 0.2 1 1041 149 LYS CA C 54.03 0.2 1 1042 149 LYS CB C 36.53 0.2 1 1043 149 LYS C C 176.04 0.2 1 1044 149 LYS HA H 5.14 0.01 1 1045 149 LYS HB2 H 2.00 0.01 2 1046 149 LYS HB3 H 1.76 0.01 2 1047 150 VAL H H 8.19 0.01 1 1048 150 VAL N N 125.90 0.2 1 1049 150 VAL CA C 61.53 0.2 1 1050 150 VAL CB C 31.23 0.2 1 1051 150 VAL C C 176.34 0.2 1 1052 150 VAL HA H 4.91 0.01 1 1053 150 VAL HB H 2.03 0.01 1 1054 151 GLY H H 8.51 0.01 1 1055 151 GLY N N 116.30 0.2 1 1056 151 GLY CA C 46.73 0.2 1 1057 151 GLY C C 172.84 0.2 1 1058 151 GLY HA2 H 3.91 0.01 1 1059 151 GLY HA3 H 3.91 0.01 1 1060 152 GLU H H 8.69 0.01 1 1061 152 GLU N N 128.10 0.2 1 1062 152 GLU CA C 56.33 0.2 1 1063 152 GLU CB C 30.13 0.2 1 1064 152 GLU C C 175.84 0.2 1 1065 152 GLU HA H 4.16 0.01 1 1066 152 GLU HB2 H 1.95 0.01 1 1067 152 GLU HB3 H 1.95 0.01 1 1068 153 ALA H H 8.49 0.01 1 1069 153 ALA N N 122.70 0.2 1 1070 153 ALA CA C 52.83 0.2 1 1071 153 ALA CB C 18.43 0.2 1 1072 153 ALA C C 176.94 0.2 1 1073 153 ALA HA H 3.81 0.01 1 1074 153 ALA HB H 1.22 0.01 1 1075 154 ASN H H 8.76 0.01 1 1076 154 ASN N N 120.00 0.2 1 1077 154 ASN CA C 52.83 0.2 1 1078 154 ASN CB C 39.83 0.2 1 1079 155 PRO CA C 64.43 0.2 1 1080 155 PRO CB C 32.23 0.2 1 1081 155 PRO C C 179.34 0.2 1 1082 155 PRO HA H 4.58 0.01 1 1083 155 PRO HB2 H 2.41 0.01 1 1084 155 PRO HB3 H 2.41 0.01 1 1085 156 LYS H H 8.05 0.01 1 1086 156 LYS N N 117.00 0.2 1 1087 156 LYS CA C 57.43 0.2 1 1088 156 LYS CB C 31.33 0.2 1 1089 156 LYS C C 178.54 0.2 1 1090 156 LYS HA H 4.27 0.01 1 1091 156 LYS HB2 H 2.05 0.01 2 1092 156 LYS HB3 H 1.90 0.01 2 1093 157 LEU H H 7.23 0.01 1 1094 157 LEU N N 115.20 0.2 1 1095 157 LEU CA C 54.63 0.2 1 1096 157 LEU CB C 43.43 0.2 1 1097 157 LEU C C 178.24 0.2 1 1098 157 LEU HA H 4.31 0.01 1 1099 157 LEU HB2 H 1.65 0.01 1 1100 157 LEU HB3 H 1.65 0.01 1 1101 158 GLN H H 7.46 0.01 1 1102 158 GLN N N 120.10 0.2 1 1103 158 GLN CA C 59.93 0.2 1 1104 158 GLN CB C 28.93 0.2 1 1105 158 GLN C C 176.24 0.2 1 1106 158 GLN HA H 3.58 0.01 1 1107 159 LYS H H 8.65 0.01 1 1108 159 LYS N N 116.20 0.2 1 1109 159 LYS CA C 59.93 0.2 1 1110 159 LYS CB C 33.03 0.2 1 1111 159 LYS C C 179.94 0.2 1 1112 159 LYS HA H 4.13 0.01 1 1113 159 LYS HB2 H 2.06 0.01 2 1114 159 LYS HB3 H 1.76 0.01 2 1115 160 VAL H H 7.15 0.01 1 1116 160 VAL N N 115.60 0.2 1 1117 160 VAL CA C 65.63 0.2 1 1118 160 VAL CB C 31.93 0.2 1 1119 160 VAL C C 176.24 0.2 1 1120 160 VAL HA H 3.50 0.01 1 1121 160 VAL HB H 2.35 0.01 1 1122 161 LEU H H 7.48 0.01 1 1123 161 LEU N N 116.70 0.2 1 1124 161 LEU CA C 57.33 0.2 1 1125 161 LEU CB C 40.13 0.2 1 1126 161 LEU C C 180.44 0.2 1 1127 161 LEU HA H 3.68 0.01 1 1128 162 ASP H H 8.71 0.01 1 1129 162 ASP N N 119.10 0.2 1 1130 162 ASP CA C 56.83 0.2 1 1131 162 ASP CB C 40.53 0.2 1 1132 162 ASP C C 178.04 0.2 1 1133 162 ASP HA H 4.32 0.01 1 1134 162 ASP HB2 H 2.65 0.01 1 1135 162 ASP HB3 H 2.65 0.01 1 1136 163 ALA H H 7.30 0.01 1 1137 163 ALA N N 121.20 0.2 1 1138 163 ALA CA C 53.23 0.2 1 1139 163 ALA CB C 19.63 0.2 1 1140 163 ALA C C 178.64 0.2 1 1141 163 ALA HA H 4.30 0.01 1 1142 163 ALA HB H 1.63 0.01 1 1143 164 LEU H H 7.24 0.01 1 1144 164 LEU N N 114.20 0.2 1 1145 164 LEU CA C 56.83 0.2 1 1146 164 LEU CB C 40.03 0.2 1 1147 164 LEU C C 179.54 0.2 1 1148 164 LEU HA H 3.66 0.01 1 1149 164 LEU HB2 H 1.66 0.01 2 1150 164 LEU HB3 H 1.14 0.01 2 1151 165 GLN H H 7.39 0.01 1 1152 165 GLN N N 114.50 0.2 1 1153 165 GLN CA C 57.63 0.2 1 1154 165 GLN CB C 27.83 0.2 1 1155 165 GLN C C 176.74 0.2 1 1156 165 GLN HA H 3.89 0.01 1 1157 165 GLN HB2 H 2.08 0.01 1 1158 165 GLN HB3 H 2.08 0.01 1 1159 166 ALA H H 7.40 0.01 1 1160 166 ALA N N 119.00 0.2 1 1161 166 ALA CA C 52.53 0.2 1 1162 166 ALA CB C 20.13 0.2 1 1163 166 ALA C C 178.24 0.2 1 1164 166 ALA HA H 4.40 0.01 1 1165 166 ALA HB H 1.45 0.01 1 1166 167 ILE H H 7.28 0.01 1 1167 167 ILE N N 112.40 0.2 1 1168 167 ILE CA C 58.73 0.2 1 1169 167 ILE CB C 38.43 0.2 1 1170 167 ILE HA H 4.75 0.01 1 1171 167 ILE HG12 H 1.78 0.01 2 1172 167 ILE HG13 H 1.46 0.01 2 1173 168 LYS H H 7.60 0.01 1 1174 168 LYS N N 117.00 0.2 1 1175 168 LYS CA C 60.43 0.2 1 1176 168 LYS CB C 33.73 0.2 1 1177 168 LYS C C 175.24 0.2 1 1178 168 LYS HA H 3.85 0.01 1 1179 168 LYS HB2 H 1.82 0.01 1 1180 168 LYS HB3 H 1.82 0.01 1 1181 169 THR H H 6.39 0.01 1 1182 169 THR N N 97.80 0.2 1 1183 169 THR CA C 58.33 0.2 1 1184 169 THR CB C 71.03 0.2 1 1185 169 THR HA H 4.73 0.01 1 1186 170 LYS H H 7.29 0.01 1 1187 170 LYS N N 120.70 0.2 1 1188 170 LYS CA C 58.33 0.2 1 1189 170 LYS CB C 32.03 0.2 1 1190 170 LYS C C 177.74 0.2 1 1191 170 LYS HA H 3.57 0.01 1 1192 171 GLY H H 8.72 0.01 1 1193 171 GLY N N 116.40 0.2 1 1194 171 GLY CA C 44.33 0.2 1 1195 171 GLY C C 174.94 0.2 1 1196 171 GLY HA2 H 4.40 0.01 2 1197 171 GLY HA3 H 3.61 0.01 2 1198 172 LYS H H 7.84 0.01 1 1199 172 LYS N N 120.00 0.2 1 1200 172 LYS CA C 56.63 0.2 1 1201 172 LYS CB C 33.23 0.2 1 1202 172 LYS C C 174.34 0.2 1 1203 172 LYS HA H 4.40 0.01 1 1204 172 LYS HB2 H 1.99 0.01 1 1205 172 LYS HB3 H 1.99 0.01 1 1206 173 ARG H H 8.29 0.01 1 1207 173 ARG N N 118.00 0.2 1 1208 173 ARG CA C 53.63 0.2 1 1209 173 ARG CB C 34.63 0.2 1 1210 173 ARG C C 174.74 0.2 1 1211 173 ARG HA H 5.42 0.01 1 1212 173 ARG HB2 H 1.73 0.01 2 1213 173 ARG HB3 H 1.60 0.01 2 1214 174 ALA H H 9.07 0.01 1 1215 174 ALA N N 125.00 0.2 1 1216 174 ALA CA C 49.83 0.2 1 1217 174 ALA CB C 20.83 0.2 1 1218 174 ALA C C 173.44 0.2 1 1219 174 ALA HA H 4.93 0.01 1 1220 174 ALA HB H 1.24 0.01 1 1221 175 PRO CA C 63.03 0.2 1 1222 175 PRO CB C 32.03 0.2 1 1223 175 PRO C C 175.84 0.2 1 1224 175 PRO HA H 4.55 0.01 1 1225 175 PRO HB2 H 2.37 0.01 2 1226 175 PRO HB3 H 1.90 0.01 2 1227 176 PHE H H 7.60 0.01 1 1228 176 PHE N N 127.20 0.2 1 1229 176 PHE CA C 58.43 0.2 1 1230 176 PHE CB C 40.63 0.2 1 1231 176 PHE C C 171.64 0.2 1 1232 176 PHE HA H 4.34 0.01 1 1233 176 PHE HB2 H 2.67 0.01 2 1234 176 PHE HB3 H 2.54 0.01 2 1235 177 THR H H 7.40 0.01 1 1236 177 THR N N 110.70 0.2 1 1237 177 THR CA C 58.63 0.2 1 1238 177 THR CB C 72.03 0.2 1 1239 177 THR C C 174.84 0.2 1 1240 177 THR HA H 4.61 0.01 1 1241 177 THR HB H 4.24 0.01 1 1242 178 ASN H H 9.09 0.01 1 1243 178 ASN N N 116.60 0.2 1 1244 178 ASN CA C 53.73 0.2 1 1245 178 ASN CB C 37.03 0.2 1 1246 178 ASN C C 173.74 0.2 1 1247 178 ASN HA H 4.13 0.01 1 1248 178 ASN HB2 H 2.96 0.01 2 1249 178 ASN HB3 H 2.57 0.01 2 1250 179 PHE H H 7.67 0.01 1 1251 179 PHE N N 119.70 0.2 1 1252 179 PHE CA C 58.03 0.2 1 1253 179 PHE CB C 44.13 0.2 1 1254 179 PHE C C 171.94 0.2 1 1255 179 PHE HA H 4.70 0.01 1 1256 179 PHE HB2 H 2.61 0.01 1 1257 179 PHE HB3 H 2.61 0.01 1 1258 180 ASP H H 8.15 0.01 1 1259 180 ASP N N 125.60 0.2 1 1260 180 ASP CA C 48.83 0.2 1 1261 180 ASP CB C 42.23 0.2 1 1262 180 ASP C C 175.44 0.2 1 1263 180 ASP HA H 5.00 0.01 1 1264 181 PRO CA C 64.03 0.2 1 1265 181 PRO CB C 31.33 0.2 1 1266 181 PRO C C 177.04 0.2 1 1267 181 PRO HA H 4.11 0.01 1 1268 182 SER H H 9.40 0.01 1 1269 182 SER N N 117.00 0.2 1 1270 182 SER CA C 61.83 0.2 1 1271 182 SER C C 177.24 0.2 1 1272 182 SER HA H 4.08 0.01 1 1273 182 SER HB2 H 3.85 0.01 1 1274 182 SER HB3 H 3.85 0.01 1 1275 183 THR H H 7.48 0.01 1 1276 183 THR N N 113.30 0.2 1 1277 183 THR CA C 63.73 0.2 1 1278 183 THR CB C 70.03 0.2 1 1279 183 THR C C 174.94 0.2 1 1280 183 THR HA H 4.16 0.01 1 1281 184 LEU H H 7.23 0.01 1 1282 184 LEU N N 118.70 0.2 1 1283 184 LEU CA C 54.43 0.2 1 1284 184 LEU CB C 42.93 0.2 1 1285 184 LEU C C 175.74 0.2 1 1286 184 LEU HA H 4.39 0.01 1 1287 184 LEU HB2 H 1.71 0.01 2 1288 184 LEU HB3 H 1.44 0.01 2 1289 185 LEU H H 6.76 0.01 1 1290 185 LEU N N 114.00 0.2 1 1291 185 LEU CA C 52.93 0.2 1 1292 185 LEU CB C 39.73 0.2 1 1293 185 LEU C C 174.94 0.2 1 1294 185 LEU HA H 4.32 0.01 1 1295 185 LEU HB2 H 1.80 0.01 2 1296 185 LEU HB3 H 1.44 0.01 2 1297 186 PRO CA C 62.23 0.2 1 1298 186 PRO CB C 32.23 0.2 1 1299 186 PRO C C 174.74 0.2 1 1300 186 PRO HA H 4.46 0.01 1 1301 186 PRO HB2 H 2.23 0.01 2 1302 186 PRO HB3 H 2.08 0.01 2 1303 187 SER H H 8.15 0.01 1 1304 187 SER N N 112.50 0.2 1 1305 187 SER CA C 60.83 0.2 1 1306 187 SER CB C 63.13 0.2 1 1307 187 SER C C 174.84 0.2 1 1308 187 SER HA H 4.08 0.01 1 1309 187 SER HB2 H 3.91 0.01 1 1310 187 SER HB3 H 3.91 0.01 1 1311 188 SER H H 7.42 0.01 1 1312 188 SER N N 113.50 0.2 1 1313 188 SER CA C 56.33 0.2 1 1314 188 SER CB C 64.23 0.2 1 1315 188 SER C C 175.34 0.2 1 1316 188 SER HA H 4.58 0.01 1 1317 188 SER HB2 H 3.72 0.01 1 1318 188 SER HB3 H 3.72 0.01 1 1319 189 LEU H H 8.67 0.01 1 1320 189 LEU N N 125.60 0.2 1 1321 189 LEU CA C 53.63 0.2 1 1322 189 LEU CB C 40.53 0.2 1 1323 189 LEU C C 176.94 0.2 1 1324 189 LEU HA H 4.60 0.01 1 1325 190 ASP H H 7.28 0.01 1 1326 190 ASP N N 121.20 0.2 1 1327 190 ASP CA C 56.23 0.2 1 1328 190 ASP CB C 40.43 0.2 1 1329 190 ASP C C 177.14 0.2 1 1330 190 ASP HA H 4.32 0.01 1 1331 190 ASP HB2 H 1.95 0.01 1 1332 190 ASP HB3 H 1.95 0.01 1 1333 191 PHE H H 8.70 0.01 1 1334 191 PHE N N 118.80 0.2 1 1335 191 PHE CA C 56.83 0.2 1 1336 191 PHE CB C 43.03 0.2 1 1337 191 PHE C C 172.24 0.2 1 1338 191 PHE HA H 5.50 0.01 1 1339 192 TRP H H 9.50 0.01 1 1340 192 TRP N N 117.50 0.2 1 1341 192 TRP CA C 57.33 0.2 1 1342 192 TRP CB C 31.53 0.2 1 1343 192 TRP C C 177.34 0.2 1 1344 192 TRP HA H 5.83 0.01 1 1345 192 TRP HB2 H 3.09 0.01 1 1346 192 TRP HB3 H 3.09 0.01 1 1347 193 THR H H 9.78 0.01 1 1348 193 THR N N 115.70 0.2 1 1349 193 THR CA C 58.23 0.2 1 1350 193 THR CB C 70.63 0.2 1 1351 193 THR C C 170.94 0.2 1 1352 193 THR HA H 6.13 0.01 1 1353 193 THR HB H 4.27 0.01 1 1354 194 TYR H H 7.96 0.01 1 1355 194 TYR N N 126.80 0.2 1 1356 194 TYR CA C 55.93 0.2 1 1357 194 TYR CB C 39.93 0.2 1 1358 194 TYR C C 170.74 0.2 1 1359 194 TYR HA H 5.27 0.01 1 1360 195 PRO CA C 62.03 0.2 1 1361 195 PRO CB C 31.43 0.2 1 1362 195 PRO C C 173.14 0.2 1 1363 195 PRO HA H 4.98 0.01 1 1364 195 PRO HB2 H 2.21 0.01 1 1365 195 PRO HB3 H 2.21 0.01 1 1366 196 GLY H H 9.53 0.01 1 1367 196 GLY N N 111.20 0.2 1 1368 196 GLY CA C 46.33 0.2 1 1369 196 GLY HA2 H 4.59 0.01 2 1370 196 GLY HA3 H 3.68 0.01 2 1371 197 SER H H 8.50 0.01 1 1372 197 SER N N 119.00 0.2 1 1373 197 SER CA C 56.73 0.2 1 1374 197 SER CB C 70.83 0.2 1 1375 197 SER C C 175.94 0.2 1 1376 197 SER HA H 5.86 0.01 1 1377 198 LEU H H 7.78 0.01 1 1378 198 LEU N N 117.60 0.2 1 1379 198 LEU CA C 55.03 0.2 1 1380 198 LEU CB C 43.73 0.2 1 1381 198 LEU C C 180.34 0.2 1 1382 198 LEU HA H 4.55 0.01 1 1383 198 LEU HB2 H 1.19 0.01 1 1384 198 LEU HB3 H 1.19 0.01 1 1385 199 THR H H 8.55 0.01 1 1386 199 THR N N 111.30 0.2 1 1387 199 THR CA C 61.53 0.2 1 1388 199 THR CB C 67.83 0.2 1 1389 199 THR C C 173.14 0.2 1 1390 199 THR HA H 4.28 0.01 1 1391 199 THR HB H 4.55 0.01 1 1392 200 HIS H H 6.70 0.01 1 1393 200 HIS N N 115.50 0.2 1 1394 200 HIS CA C 51.93 0.2 1 1395 200 HIS CB C 28.83 0.2 1 1396 200 HIS C C 171.24 0.2 1 1397 200 HIS HA H 4.20 0.01 1 1398 202 PRO CA C 64.13 0.2 1 1399 202 PRO CB C 31.63 0.2 1 1400 203 LEU H H 8.14 0.01 1 1401 203 LEU N N 117.20 0.2 1 1402 203 LEU CA C 57.13 0.2 1 1403 203 LEU CB C 37.43 0.2 1 1404 203 LEU C C 173.24 0.2 1 1405 203 LEU HA H 3.40 0.01 1 1406 203 LEU HB2 H 1.92 0.01 1 1407 203 LEU HB3 H 1.92 0.01 1 1408 204 TYR H H 5.64 0.01 1 1409 204 TYR N N 110.20 0.2 1 1410 204 TYR CA C 56.23 0.2 1 1411 204 TYR CB C 38.73 0.2 1 1412 204 TYR C C 178.04 0.2 1 1413 204 TYR HA H 4.36 0.01 1 1414 204 TYR HB2 H 3.03 0.01 1 1415 204 TYR HB3 H 3.03 0.01 1 1416 205 GLU H H 8.75 0.01 1 1417 205 GLU N N 124.50 0.2 1 1418 205 GLU CA C 55.73 0.2 1 1419 205 GLU CB C 26.33 0.2 1 1420 205 GLU C C 177.34 0.2 1 1421 205 GLU HA H 4.49 0.01 1 1422 206 SER H H 7.74 0.01 1 1423 206 SER N N 114.40 0.2 1 1424 206 SER CA C 56.03 0.2 1 1425 206 SER CB C 66.93 0.2 1 1426 206 SER C C 173.44 0.2 1 1427 206 SER HA H 4.92 0.01 1 1428 207 VAL H H 7.44 0.01 1 1429 207 VAL N N 119.10 0.2 1 1430 207 VAL CA C 61.73 0.2 1 1431 207 VAL CB C 35.63 0.2 1 1432 207 VAL C C 175.94 0.2 1 1433 207 VAL HA H 4.02 0.01 1 1434 207 VAL HB H 1.19 0.01 1 1435 208 THR H H 8.07 0.01 1 1436 208 THR N N 124.70 0.2 1 1437 208 THR CA C 63.33 0.2 1 1438 208 THR CB C 68.23 0.2 1 1439 208 THR C C 173.34 0.2 1 1440 208 THR HA H 4.29 0.01 1 1441 208 THR HB H 4.05 0.01 1 1442 209 TRP H H 8.10 0.01 1 1443 209 TRP N N 128.70 0.2 1 1444 209 TRP CA C 58.23 0.2 1 1445 209 TRP CB C 31.63 0.2 1 1446 209 TRP C C 176.84 0.2 1 1447 209 TRP HA H 4.41 0.01 1 1448 210 ILE H H 9.05 0.01 1 1449 210 ILE N N 126.20 0.2 1 1450 210 ILE CA C 58.23 0.2 1 1451 210 ILE CB C 38.23 0.2 1 1452 210 ILE C C 173.94 0.2 1 1453 210 ILE HA H 4.81 0.01 1 1454 210 ILE HB H 1.98 0.01 1 1455 211 ILE H H 10.07 0.01 1 1456 211 ILE N N 126.90 0.2 1 1457 211 ILE CA C 56.93 0.2 1 1458 211 ILE CB C 37.13 0.2 1 1459 211 ILE C C 176.74 0.2 1 1460 211 ILE HA H 5.24 0.01 1 1461 211 ILE HB H 2.50 0.01 1 1462 212 CYS H H 8.66 0.01 1 1463 212 CYS N N 125.70 0.2 1 1464 212 CYS CA C 62.63 0.2 1 1465 212 CYS CB C 27.13 0.2 1 1466 212 CYS C C 174.24 0.2 1 1467 212 CYS HA H 4.44 0.01 1 1468 212 CYS HB2 H 3.68 0.01 1 1469 212 CYS HB3 H 3.68 0.01 1 1470 213 LYS H H 7.68 0.01 1 1471 213 LYS N N 124.40 0.2 1 1472 213 LYS CA C 57.83 0.2 1 1473 213 LYS CB C 33.03 0.2 1 1474 213 LYS C C 177.14 0.2 1 1475 213 LYS HA H 3.88 0.01 1 1476 213 LYS HB2 H 0.70 0.01 2 1477 213 LYS HB3 H 0.44 0.01 2 1478 214 GLU H H 8.76 0.01 1 1479 214 GLU N N 119.30 0.2 1 1480 214 GLU CA C 55.43 0.2 1 1481 214 GLU CB C 30.33 0.2 1 1482 214 GLU C C 176.34 0.2 1 1483 214 GLU HA H 4.40 0.01 1 1484 214 GLU HB2 H 2.07 0.01 2 1485 214 GLU HB3 H 1.82 0.01 2 1486 215 SER H H 8.11 0.01 1 1487 215 SER N N 117.50 0.2 1 1488 215 SER CA C 56.93 0.2 1 1489 215 SER CB C 66.33 0.2 1 1490 215 SER C C 174.94 0.2 1 1491 215 SER HA H 4.95 0.01 1 1492 215 SER HB2 H 3.79 0.01 1 1493 215 SER HB3 H 3.79 0.01 1 1494 216 ILE H H 8.25 0.01 1 1495 216 ILE N N 111.30 0.2 1 1496 216 ILE CA C 60.03 0.2 1 1497 216 ILE CB C 40.93 0.2 1 1498 216 ILE C C 174.84 0.2 1 1499 216 ILE HA H 4.90 0.01 1 1500 216 ILE HB H 2.08 0.01 1 1501 217 SER H H 8.57 0.01 1 1502 217 SER N N 116.70 0.2 1 1503 217 SER CA C 57.63 0.2 1 1504 217 SER CB C 65.93 0.2 1 1505 217 SER C C 172.64 0.2 1 1506 217 SER HA H 5.44 0.01 1 1507 217 SER HB2 H 3.91 0.01 2 1508 217 SER HB3 H 3.30 0.01 2 1509 218 VAL H H 7.64 0.01 1 1510 218 VAL N N 117.00 0.2 1 1511 218 VAL CA C 60.53 0.2 1 1512 218 VAL CB C 33.73 0.2 1 1513 218 VAL C C 172.54 0.2 1 1514 218 VAL HA H 4.46 0.01 1 1515 218 VAL HB H 1.33 0.01 1 1516 219 SER H H 8.73 0.01 1 1517 219 SER N N 120.50 0.2 1 1518 219 SER CA C 56.43 0.2 1 1519 219 SER CB C 66.13 0.2 1 1520 219 SER C C 176.74 0.2 1 1521 219 SER HA H 5.19 0.01 1 1522 219 SER HB2 H 3.61 0.01 1 1523 219 SER HB3 H 3.61 0.01 1 1524 220 SER H H 9.36 0.01 1 1525 220 SER N N 116.70 0.2 1 1526 220 SER CA C 56.43 0.2 1 1527 220 SER CB C 66.03 0.2 1 1528 220 SER C C 174.24 0.2 1 1529 220 SER HA H 4.83 0.01 1 1530 220 SER HB2 H 3.83 0.01 2 1531 220 SER HB3 H 3.57 0.01 2 1532 221 GLU H H 8.67 0.01 1 1533 221 GLU N N 120.40 0.2 1 1534 221 GLU CA C 59.93 0.2 1 1535 221 GLU CB C 28.73 0.2 1 1536 221 GLU C C 179.04 0.2 1 1537 221 GLU HA H 3.96 0.01 1 1538 221 GLU HB2 H 1.91 0.01 1 1539 221 GLU HB3 H 1.91 0.01 1 1540 222 GLN H H 7.53 0.01 1 1541 222 GLN N N 120.40 0.2 1 1542 222 GLN CA C 59.43 0.2 1 1543 222 GLN CB C 28.73 0.2 1 1544 222 GLN C C 177.44 0.2 1 1545 222 GLN HA H 3.75 0.01 1 1546 223 LEU H H 7.65 0.01 1 1547 223 LEU N N 117.50 0.2 1 1548 223 LEU CA C 57.63 0.2 1 1549 223 LEU CB C 41.53 0.2 1 1550 223 LEU C C 178.94 0.2 1 1551 223 LEU HA H 3.33 0.01 1 1552 224 ALA H H 7.67 0.01 1 1553 224 ALA N N 117.40 0.2 1 1554 224 ALA CA C 54.53 0.2 1 1555 224 ALA CB C 17.83 0.2 1 1556 224 ALA C C 180.34 0.2 1 1557 224 ALA HA H 3.85 0.01 1 1558 224 ALA HB H 1.38 0.01 1 1559 225 GLN H H 7.18 0.01 1 1560 225 GLN N N 116.50 0.2 1 1561 225 GLN CA C 59.03 0.2 1 1562 225 GLN CB C 28.23 0.2 1 1563 225 GLN C C 179.44 0.2 1 1564 225 GLN HA H 3.80 0.01 1 1565 225 GLN HB2 H 2.04 0.01 2 1566 225 GLN HB3 H 1.83 0.01 2 1567 226 PHE H H 6.80 0.01 1 1568 226 PHE N N 120.00 0.2 1 1569 226 PHE CA C 57.83 0.2 1 1570 226 PHE CB C 34.13 0.2 1 1571 226 PHE C C 175.34 0.2 1 1572 226 PHE HA H 3.80 0.01 1 1573 226 PHE HB2 H 2.06 0.01 1 1574 226 PHE HB3 H 2.06 0.01 1 1575 227 ARG H H 6.39 0.01 1 1576 227 ARG N N 109.20 0.2 1 1577 227 ARG CA C 56.53 0.2 1 1578 227 ARG CB C 30.33 0.2 1 1579 227 ARG C C 176.24 0.2 1 1580 227 ARG HA H 4.40 0.01 1 1581 227 ARG HB2 H 1.87 0.01 2 1582 227 ARG HB3 H 1.63 0.01 2 1583 228 SER H H 7.10 0.01 1 1584 228 SER N N 111.80 0.2 1 1585 228 SER CA C 58.93 0.2 1 1586 228 SER CB C 63.83 0.2 1 1587 228 SER C C 175.44 0.2 1 1588 228 SER HA H 4.35 0.01 1 1589 228 SER HB2 H 3.88 0.01 1 1590 228 SER HB3 H 3.88 0.01 1 1591 229 LEU H H 7.15 0.01 1 1592 229 LEU N N 123.10 0.2 1 1593 229 LEU CA C 55.53 0.2 1 1594 229 LEU CB C 42.83 0.2 1 1595 229 LEU C C 175.14 0.2 1 1596 229 LEU HA H 4.17 0.01 1 1597 229 LEU HB2 H 2.40 0.01 1 1598 229 LEU HB3 H 2.40 0.01 1 1599 230 LEU H H 8.46 0.01 1 1600 230 LEU N N 119.00 0.2 1 1601 230 LEU CA C 53.93 0.2 1 1602 230 LEU CB C 41.43 0.2 1 1603 230 LEU C C 176.34 0.2 1 1604 230 LEU HA H 4.95 0.01 1 1605 230 LEU HB2 H 1.91 0.01 1 1606 230 LEU HB3 H 1.91 0.01 1 1607 231 SER H H 9.06 0.01 1 1608 231 SER N N 113.60 0.2 1 1609 231 SER CA C 58.63 0.2 1 1610 231 SER CB C 66.13 0.2 1 1611 231 SER C C 174.24 0.2 1 1612 231 SER HA H 4.84 0.01 1 1613 231 SER HB2 H 3.81 0.01 1 1614 231 SER HB3 H 3.81 0.01 1 1615 232 ASN H H 8.18 0.01 1 1616 232 ASN N N 115.60 0.2 1 1617 232 ASN CA C 51.93 0.2 1 1618 232 ASN CB C 42.13 0.2 1 1619 232 ASN C C 175.24 0.2 1 1620 232 ASN HA H 4.77 0.01 1 1621 232 ASN HB2 H 2.49 0.01 1 1622 232 ASN HB3 H 2.49 0.01 1 1623 233 VAL H H 8.68 0.01 1 1624 233 VAL N N 116.00 0.2 1 1625 233 VAL CA C 61.53 0.2 1 1626 233 VAL CB C 33.13 0.2 1 1627 233 VAL C C 177.24 0.2 1 1628 233 VAL HA H 4.22 0.01 1 1629 233 VAL HB H 2.11 0.01 1 1630 234 GLU H H 8.41 0.01 1 1631 234 GLU N N 126.30 0.2 1 1632 234 GLU CA C 58.53 0.2 1 1633 234 GLU CB C 29.53 0.2 1 1634 234 GLU C C 176.44 0.2 1 1635 234 GLU HA H 3.96 0.01 1 1636 234 GLU HB2 H 2.05 0.01 1 1637 234 GLU HB3 H 2.05 0.01 1 1638 235 GLY H H 9.04 0.01 1 1639 235 GLY N N 116.30 0.2 1 1640 235 GLY CA C 45.13 0.2 1 1641 235 GLY C C 174.24 0.2 1 1642 235 GLY HA2 H 4.39 0.01 2 1643 235 GLY HA3 H 3.61 0.01 2 1644 236 ASP H H 7.54 0.01 1 1645 236 ASP N N 120.90 0.2 1 1646 236 ASP CA C 52.63 0.2 1 1647 236 ASP CB C 42.53 0.2 1 1648 236 ASP C C 175.34 0.2 1 1649 236 ASP HA H 4.97 0.01 1 1650 236 ASP HB2 H 2.87 0.01 1 1651 236 ASP HB3 H 2.87 0.01 1 1652 237 ASN H H 8.47 0.01 1 1653 237 ASN N N 118.30 0.2 1 1654 237 ASN CA C 54.03 0.2 1 1655 237 ASN CB C 38.53 0.2 1 1656 237 ASN C C 175.44 0.2 1 1657 237 ASN HA H 4.35 0.01 1 1658 237 ASN HB2 H 2.62 0.01 1 1659 237 ASN HB3 H 2.62 0.01 1 1660 238 ALA H H 8.10 0.01 1 1661 238 ALA N N 124.50 0.2 1 1662 238 ALA CA C 52.73 0.2 1 1663 238 ALA CB C 19.43 0.2 1 1664 238 ALA C C 178.74 0.2 1 1665 238 ALA HA H 4.22 0.01 1 1666 238 ALA HB H 1.30 0.01 1 1667 239 VAL H H 8.76 0.01 1 1668 239 VAL N N 125.60 0.2 1 1669 239 VAL CA C 59.53 0.2 1 1670 239 VAL CB C 34.63 0.2 1 1671 239 VAL C C 173.14 0.2 1 1672 239 VAL HA H 4.48 0.01 1 1673 239 VAL HB H 2.03 0.01 1 1674 240 PRO CA C 63.43 0.2 1 1675 240 PRO CB C 32.83 0.2 1 1676 240 PRO C C 176.84 0.2 1 1677 240 PRO HA H 4.86 0.01 1 1678 240 PRO HB2 H 2.49 0.01 2 1679 240 PRO HB3 H 1.94 0.01 2 1680 241 MET H H 8.76 0.01 1 1681 241 MET N N 127.30 0.2 1 1682 241 MET CA C 54.93 0.2 1 1683 241 MET CB C 32.53 0.2 1 1684 241 MET C C 175.14 0.2 1 1685 241 MET HA H 4.40 0.01 1 1686 242 GLN H H 7.68 0.01 1 1687 242 GLN N N 121.80 0.2 1 1688 242 GLN CA C 59.63 0.2 1 1689 242 GLN CB C 30.73 0.2 1 1690 242 GLN C C 174.44 0.2 1 1691 242 GLN HA H 4.09 0.01 1 1692 242 GLN HB2 H 2.14 0.01 1 1693 242 GLN HB3 H 2.14 0.01 1 1694 243 HIS H H 7.25 0.01 1 1695 243 HIS N N 105.20 0.2 1 1696 243 HIS CA C 53.83 0.2 1 1697 243 HIS CB C 31.23 0.2 1 1698 243 HIS C C 174.34 0.2 1 1699 243 HIS HA H 4.40 0.01 1 1700 244 ASN H H 8.12 0.01 1 1701 244 ASN N N 117.10 0.2 1 1702 244 ASN CA C 51.73 0.2 1 1703 244 ASN CB C 36.43 0.2 1 1704 244 ASN C C 175.14 0.2 1 1705 244 ASN HA H 4.83 0.01 1 1706 245 ASN H H 8.68 0.01 1 1707 245 ASN N N 115.80 0.2 1 1708 245 ASN CA C 51.83 0.2 1 1709 245 ASN CB C 39.03 0.2 1 1710 245 ASN C C 173.94 0.2 1 1711 245 ASN HA H 5.36 0.01 1 1712 245 ASN HB2 H 2.23 0.01 1 1713 245 ASN HB3 H 2.23 0.01 1 1714 246 ARG H H 10.70 0.01 1 1715 246 ARG N N 131.00 0.2 1 1716 246 ARG CA C 53.93 0.2 1 1717 247 PRO CA C 62.63 0.2 1 1718 247 PRO CB C 33.03 0.2 1 1719 247 PRO C C 176.24 0.2 1 1720 247 PRO HA H 4.47 0.01 1 1721 247 PRO HB2 H 2.37 0.01 2 1722 247 PRO HB3 H 1.64 0.01 2 1723 248 THR H H 7.62 0.01 1 1724 248 THR N N 111.20 0.2 1 1725 248 THR CA C 62.53 0.2 1 1726 248 THR CB C 70.23 0.2 1 1727 248 THR C C 174.04 0.2 1 1728 248 THR HA H 3.57 0.01 1 1729 248 THR HB H 3.86 0.01 1 1730 249 GLN H H 8.49 0.01 1 1731 249 GLN N N 121.00 0.2 1 1732 249 GLN CA C 51.43 0.2 1 1733 249 GLN CB C 29.23 0.2 1 1734 249 GLN C C 173.04 0.2 1 1735 249 GLN HA H 4.40 0.01 1 1736 250 PRO CA C 62.33 0.2 1 1737 250 PRO CB C 31.83 0.2 1 1738 250 PRO C C 177.54 0.2 1 1739 250 PRO HA H 4.33 0.01 1 1740 251 LEU H H 8.74 0.01 1 1741 251 LEU N N 124.00 0.2 1 1742 251 LEU CA C 57.93 0.2 1 1743 251 LEU CB C 42.33 0.2 1 1744 251 LEU C C 179.44 0.2 1 1745 251 LEU HA H 3.94 0.01 1 1746 251 LEU HB2 H 1.70 0.01 1 1747 251 LEU HB3 H 1.70 0.01 1 1748 252 LYS H H 9.01 0.01 1 1749 252 LYS N N 116.00 0.2 1 1750 252 LYS CA C 56.93 0.2 1 1751 252 LYS CB C 29.73 0.2 1 1752 252 LYS C C 177.04 0.2 1 1753 252 LYS HA H 3.85 0.01 1 1754 252 LYS HB2 H 2.18 0.01 2 1755 252 LYS HB3 H 1.98 0.01 2 1756 253 GLY H H 8.52 0.01 1 1757 253 GLY N N 106.10 0.2 1 1758 253 GLY CA C 45.53 0.2 1 1759 253 GLY C C 175.34 0.2 1 1760 253 GLY HA2 H 4.15 0.01 2 1761 253 GLY HA3 H 3.73 0.01 2 1762 254 ARG H H 7.18 0.01 1 1763 254 ARG N N 119.60 0.2 1 1764 254 ARG CA C 56.93 0.2 1 1765 254 ARG CB C 33.63 0.2 1 1766 254 ARG C C 175.14 0.2 1 1767 254 ARG HA H 4.33 0.01 1 1768 255 THR H H 8.71 0.01 1 1769 255 THR N N 116.60 0.2 1 1770 255 THR CA C 62.23 0.2 1 1771 255 THR CB C 70.83 0.2 1 1772 255 THR C C 173.54 0.2 1 1773 255 THR HA H 4.40 0.01 1 1774 255 THR HB H 3.95 0.01 1 1775 256 VAL H H 8.95 0.01 1 1776 256 VAL N N 128.30 0.2 1 1777 256 VAL CA C 61.73 0.2 1 1778 256 VAL CB C 31.53 0.2 1 1779 256 VAL C C 175.74 0.2 1 1780 256 VAL HA H 4.53 0.01 1 1781 256 VAL HB H 2.04 0.01 1 1782 257 ARG H H 8.86 0.01 1 1783 257 ARG N N 126.10 0.2 1 1784 257 ARG CA C 54.43 0.2 1 1785 257 ARG CB C 33.93 0.2 1 1786 257 ARG C C 175.14 0.2 1 1787 257 ARG HA H 5.34 0.01 1 1788 257 ARG HB2 H 1.70 0.01 1 1789 257 ARG HB3 H 1.70 0.01 1 1790 258 ALA H H 8.65 0.01 1 1791 258 ALA N N 123.20 0.2 1 1792 258 ALA CA C 49.73 0.2 1 1793 258 ALA CB C 23.03 0.2 1 1794 258 ALA C C 176.94 0.2 1 1795 258 ALA HA H 4.95 0.01 1 1796 258 ALA HB H 0.66 0.01 1 1797 259 SER H H 8.68 0.01 1 1798 259 SER N N 118.00 0.2 1 1799 259 SER CA C 58.63 0.2 1 1800 259 SER CB C 63.63 0.2 1 1801 259 SER C C 171.14 0.2 1 1802 259 SER HA H 3.98 0.01 1 1803 259 SER HB2 H 3.72 0.01 2 1804 259 SER HB3 H 1.88 0.01 2 1805 260 PHE H H 6.52 0.01 1 1806 260 PHE N N 125.10 0.2 1 1807 260 PHE CA C 55.83 0.2 1 1808 260 PHE CB C 40.73 0.2 1 1809 260 PHE HA H 4.27 0.01 1 1810 260 PHE HB2 H 2.88 0.01 2 1811 260 PHE HB3 H 2.47 0.01 2 stop_ save_