data_5462 #Corrected using PDB structure: 1G6HA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #124 I CA 55.19 61.01 #212 R CA 62.19 54.17 #213 L CA 58.59 53.56 #215 I CA 57.89 64.64 #219 Y CA 53.09 58.15 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #110 P CB 38.12 31.39 #116 N CB 46.42 38.75 #123 W CB 42.32 30.97 #211 H CB 38.68 30.88 #214 D CB 38.02 46.68 #216 V CB 38.02 31.67 #218 N CB 32.52 38.51 #219 Y CB 47.82 38.90 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #257 E C 181.33 175.84 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted #214 D N 112.11 124.88 #219 Y N 130.41 115.93 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A -0.01 0.52 -0.07 -1.19 0.28 # #bmr5462.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5462.str file): #HA CA CB CO N HN #N/A +0.25 +0.25 -0.07 -1.19 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.10 +/-0.11 +/-0.11 +/-0.28 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.952 0.985 0.794 0.811 0.680 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.785 0.768 0.864 2.062 0.331 # #*Note: CA and CB offsets differences were greater than 0.5ppm, # Please check for possible misassignment or deuterate effects ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Backbone Assignment of MJ1267, an ATP-binding cassette ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Chunyu . . 2 Hunt John F. . 3 Rance Mark . . 4 Palmer Arthur G. III stop_ _BMRB_accession_number 5462 _BMRB_flat_file_name bmr5462.str _Entry_type new _Submission_date 2002-07-15 _Accession_date 2002-07-15 _Entry_origination author _NMR_STAR_version 2.1.1 _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' 223 '15N chemical shifts' 223 '13C chemical shifts' 683 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 15N and 13C Backbone Assignment of MJ1267, an ATP-binding cassette ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Chunyu . . 2 Hunt John F. . 3 Rance Mark . . 4 Palmer Arthur G. III stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 24 _Journal_issue 2 _Page_first 167 _Page_last 168 _Year 2002 save_ ################################## # Molecular system description # ################################## save_system_MJ1267 _Saveframe_category molecular_system _Mol_system_name MJ1267 _Abbreviation_common MJ1267 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MJ1267 $MJ1267 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1GAJ ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_MJ1267 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MJ1267 _Name_variant . _Abbreviation_common MJ1267 _Molecular_mass 28994.7 _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 257 _Mol_residue_sequence ; MRDTMEILRTENIVKYFGEF KALDGVSISVNKGDVTLIIG GPNSGKSTLINVITGFLKAD EGRVYFENKDITNKEPAELY HYGIVRTFQTPQPLKEMTVL ENLLIGEINPGESPLNSLFY KKWIPKEEEMVEKAFKILEF LKLSHLYDRKAGELSGGQMK LVEIGRALMTNPKMIVMDEP IAGVAPGLAHDIFNHVLELK AKGITFHRLDIVLNYIDHLY VMFNGQIIAEGRGEEEIKNV LSDPKVVEIYIGE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ASP 4 THR 5 MET 6 GLU 7 ILE 8 LEU 9 ARG 10 THR 11 GLU 12 ASN 13 ILE 14 VAL 15 LYS 16 TYR 17 PHE 18 GLY 19 GLU 20 PHE 21 LYS 22 ALA 23 LEU 24 ASP 25 GLY 26 VAL 27 SER 28 ILE 29 SER 30 VAL 31 ASN 32 LYS 33 GLY 34 ASP 35 VAL 36 THR 37 LEU 38 ILE 39 ILE 40 GLY 41 GLY 42 PRO 43 ASN 44 SER 45 GLY 46 LYS 47 SER 48 THR 49 LEU 50 ILE 51 ASN 52 VAL 53 ILE 54 THR 55 GLY 56 PHE 57 LEU 58 LYS 59 ALA 60 ASP 61 GLU 62 GLY 63 ARG 64 VAL 65 TYR 66 PHE 67 GLU 68 ASN 69 LYS 70 ASP 71 ILE 72 THR 73 ASN 74 LYS 75 GLU 76 PRO 77 ALA 78 GLU 79 LEU 80 TYR 81 HIS 82 TYR 83 GLY 84 ILE 85 VAL 86 ARG 87 THR 88 PHE 89 GLN 90 THR 91 PRO 92 GLN 93 PRO 94 LEU 95 LYS 96 GLU 97 MET 98 THR 99 VAL 100 LEU 101 GLU 102 ASN 103 LEU 104 LEU 105 ILE 106 GLY 107 GLU 108 ILE 109 ASN 110 PRO 111 GLY 112 GLU 113 SER 114 PRO 115 LEU 116 ASN 117 SER 118 LEU 119 PHE 120 TYR 121 LYS 122 LYS 123 TRP 124 ILE 125 PRO 126 LYS 127 GLU 128 GLU 129 GLU 130 MET 131 VAL 132 GLU 133 LYS 134 ALA 135 PHE 136 LYS 137 ILE 138 LEU 139 GLU 140 PHE 141 LEU 142 LYS 143 LEU 144 SER 145 HIS 146 LEU 147 TYR 148 ASP 149 ARG 150 LYS 151 ALA 152 GLY 153 GLU 154 LEU 155 SER 156 GLY 157 GLY 158 GLN 159 MET 160 LYS 161 LEU 162 VAL 163 GLU 164 ILE 165 GLY 166 ARG 167 ALA 168 LEU 169 MET 170 THR 171 ASN 172 PRO 173 LYS 174 MET 175 ILE 176 VAL 177 MET 178 ASP 179 GLU 180 PRO 181 ILE 182 ALA 183 GLY 184 VAL 185 ALA 186 PRO 187 GLY 188 LEU 189 ALA 190 HIS 191 ASP 192 ILE 193 PHE 194 ASN 195 HIS 196 VAL 197 LEU 198 GLU 199 LEU 200 LYS 201 ALA 202 LYS 203 GLY 204 ILE 205 THR 206 PHE 211 HIS 212 ARG 213 LEU 214 ASP 215 ILE 216 VAL 217 LEU 218 ASN 219 TYR 220 ILE 221 ASP 222 HIS 223 LEU 224 TYR 225 VAL 226 MET 227 PHE 228 ASN 229 GLY 230 GLN 231 ILE 232 ILE 233 ALA 234 GLU 235 GLY 236 ARG 237 GLY 238 GLU 239 GLU 240 GLU 241 ILE 242 LYS 243 ASN 244 VAL 245 LEU 246 SER 247 ASP 248 PRO 249 LYS 250 VAL 251 VAL 252 GLU 253 ILE 254 TYR 255 ILE 256 GLY 257 GLU stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2002-11-10 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MJ1267 . 2190 Archaea . Methanococcus jannaschii 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 $MJ1267 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MJ1267 0.6 mM "[U-13C; U-15N; U-96% 2H]" "sodium phosphate" 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe loop_ _Task "data processing" stop_ save_ save_Sparky _Saveframe_category software _Name Sparky loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N TROSY HNCA HN(CO)CA HNCO HN(CA)CO HNCACB HN(CO)CACB ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 313 0.2 K 'ionic strength' 0.05 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 N 15 "methyl protons" ppm 0 external indirect cylindrical external parallel 0.10132905 DSS C 13 "methyl protons" ppm 0 external indirect cylindrical external parallel 0.25144952 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chemical_shift_data _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MJ1267 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 3 ASP C C 176.43 0.1 1 2 3 ASP CA C 54.55 0.1 1 3 3 ASP CB C 41.45 0.1 1 4 4 THR H H 7.77 0.02 1 5 4 THR N N 114.71 0.1 1 6 4 THR C C 174.33 0.1 1 7 4 THR CA C 61.75 0.1 1 8 4 THR CB C 69.75 0.1 1 9 5 MET H H 8.15 0.02 1 10 5 MET N N 121.51 0.1 1 11 5 MET C C 175.03 0.1 1 12 5 MET CA C 55.05 0.1 1 13 5 MET CB C 33.05 0.1 1 14 6 GLU H H 7.96 0.02 1 15 6 GLU N N 124.61 0.1 1 16 6 GLU C C 175.83 0.1 1 17 6 GLU CA C 57.65 0.1 1 18 6 GLU CB C 30.95 0.1 1 19 7 ILE H H 9.02 0.02 1 20 7 ILE N N 126.51 0.1 1 21 7 ILE C C 172.73 0.1 1 22 7 ILE CA C 61.85 0.1 1 23 7 ILE CB C 41.15 0.1 1 24 8 LEU H H 7.56 0.02 1 25 8 LEU N N 124.11 0.1 1 26 8 LEU C C 173.83 0.1 1 27 8 LEU CA C 54.05 0.1 1 28 8 LEU CB C 46.25 0.1 1 29 9 ARG H H 8.89 0.02 1 30 9 ARG N N 124.01 0.1 1 31 9 ARG C C 175.43 0.1 1 32 9 ARG CA C 55.05 0.1 1 33 9 ARG CB C 33.55 0.1 1 34 10 THR H H 8.92 0.02 1 35 10 THR N N 112.31 0.1 1 36 10 THR C C 173.43 0.1 1 37 10 THR CA C 59.95 0.1 1 38 10 THR CB C 70.95 0.1 1 39 11 GLU H H 9.10 0.02 1 40 11 GLU N N 121.31 0.1 1 41 11 GLU C C 174.73 0.1 1 42 11 GLU CA C 54.35 0.1 1 43 11 GLU CB C 31.85 0.1 1 44 12 ASN H H 8.41 0.02 1 45 12 ASN N N 120.81 0.1 1 46 12 ASN C C 173.13 0.1 1 47 12 ASN CA C 54.25 0.1 1 48 12 ASN CB C 38.15 0.1 1 49 13 ILE H H 7.58 0.02 1 50 13 ILE N N 116.01 0.1 1 51 13 ILE C C 176.93 0.1 1 52 13 ILE CA C 60.75 0.1 1 53 13 ILE CB C 35.85 0.1 1 54 14 VAL H H 7.88 0.02 1 55 14 VAL N N 128.01 0.1 1 56 14 VAL C C 174.93 0.1 1 57 14 VAL CA C 60.35 0.1 1 58 14 VAL CB C 35.35 0.1 1 59 15 LYS H H 7.66 0.02 1 60 15 LYS N N 125.81 0.1 1 61 15 LYS C C 173.53 0.1 1 62 15 LYS CA C 53.95 0.1 1 63 15 LYS CB C 35.65 0.1 1 64 16 TYR H H 9.14 0.02 1 69 17 PHE H H 8.99 0.02 1 70 17 PHE N N 121.21 0.1 1 71 17 PHE C C 176.53 0.1 1 72 17 PHE CA C 56.45 0.1 1 73 17 PHE CB C 39.25 0.1 1 74 19 GLU H H 8.70 0.02 1 75 19 GLU N N 126.01 0.1 1 76 19 GLU C C 176.23 0.1 1 77 19 GLU CA C 56.95 0.1 1 78 19 GLU CB C 29.65 0.1 1 79 20 PHE H H 7.75 0.02 1 80 20 PHE N N 120.81 0.1 1 81 20 PHE C C 174.03 0.1 1 82 20 PHE CA C 57.05 0.1 1 83 20 PHE CB C 39.85 0.1 1 84 21 LYS H H 8.17 0.02 1 85 21 LYS N N 129.41 0.1 1 86 21 LYS C C 173.53 0.1 1 87 21 LYS CA C 55.95 0.1 1 88 21 LYS CB C 31.05 0.1 1 89 22 ALA H H 7.56 0.02 1 90 22 ALA N N 130.11 0.1 1 91 22 ALA C C 177.53 0.1 1 92 22 ALA CA C 53.05 0.1 1 93 22 ALA CB C 20.55 0.1 1 94 23 LEU H H 6.96 0.02 1 95 23 LEU N N 110.61 0.1 1 96 23 LEU C C 175.53 0.1 1 97 23 LEU CA C 53.75 0.1 1 99 24 ASP H H 8.82 0.02 1 100 24 ASP N N 123.11 0.1 1 101 24 ASP C C 174.13 0.1 1 102 24 ASP CA C 51.85 0.1 1 103 24 ASP CB C 41.55 0.1 1 104 25 GLY H H 7.02 0.02 1 105 25 GLY N N 110.71 0.1 1 106 25 GLY C C 174.73 0.1 1 107 25 GLY CA C 47.55 0.1 1 108 26 VAL H H 8.19 0.02 1 109 26 VAL N N 121.81 0.1 1 110 26 VAL C C 177.13 0.1 1 111 26 VAL CA C 63.95 0.1 1 112 26 VAL CB C 32.75 0.1 1 113 27 SER H H 8.81 0.02 1 114 27 SER N N 130.01 0.1 1 115 27 SER C C 172.43 0.1 1 116 27 SER CA C 56.75 0.1 1 117 27 SER CB C 63.65 0.1 1 118 28 ILE H H 7.52 0.02 1 119 28 ILE N N 116.71 0.1 1 120 28 ILE C C 174.53 0.1 1 121 28 ILE CA C 59.15 0.1 1 122 28 ILE CB C 41.95 0.1 1 123 29 SER H H 8.16 0.02 1 124 29 SER N N 115.41 0.1 1 125 29 SER C C 173.23 0.1 1 126 29 SER CA C 58.15 0.1 1 127 29 SER CB C 64.55 0.1 1 128 30 VAL H H 9.05 0.02 1 129 30 VAL N N 125.21 0.1 1 130 30 VAL C C 175.83 0.1 1 131 30 VAL CA C 60.45 0.1 1 132 30 VAL CB C 34.55 0.1 1 133 31 ASN H H 8.35 0.02 1 134 31 ASN N N 127.31 0.1 1 135 31 ASN C C 175.23 0.1 1 136 31 ASN CA C 52.35 0.1 1 138 32 LYS H H 8.49 0.02 1 139 32 LYS N N 120.91 0.1 1 140 32 LYS C C 177.93 0.1 1 141 32 LYS CA C 57.85 0.1 1 142 32 LYS CB C 32.25 0.1 1 143 33 GLY H H 9.30 0.02 1 144 33 GLY N N 117.21 0.1 1 145 33 GLY C C 173.43 0.1 1 146 33 GLY CA C 44.85 0.1 1 147 34 ASP H H 7.64 0.02 1 148 34 ASP N N 119.61 0.1 1 149 34 ASP C C 177.63 0.1 1 150 34 ASP CA C 54.25 0.1 1 151 34 ASP CB C 41.75 0.1 1 152 35 VAL H H 10.04 0.02 1 153 35 VAL N N 122.51 0.1 1 154 35 VAL C C 176.23 0.1 1 155 35 VAL CA C 64.05 0.1 1 157 36 THR H H 8.52 0.02 1 158 36 THR N N 126.61 0.1 1 159 36 THR C C 171.53 0.1 1 160 36 THR CA C 62.15 0.1 1 161 36 THR CB C 70.45 0.1 1 162 37 LEU H H 8.88 0.02 1 163 37 LEU N N 130.21 0.1 1 164 37 LEU C C 174.23 0.1 1 165 37 LEU CA C 52.35 0.1 1 166 38 ILE H H 8.68 0.02 1 167 38 ILE N N 125.11 0.1 1 168 38 ILE C C 175.13 0.1 1 169 38 ILE CA C 60.45 0.1 1 171 39 ILE H H 8.33 0.02 1 175 40 GLY H H 7.23 0.02 1 179 43 ASN C C 175.93 0.1 1 180 43 ASN CA C 45.81 0.1 1 181 44 SER H H 8.43 0.02 1 182 44 SER N N 118.01 0.1 1 183 44 SER C C 174.53 0.1 1 184 44 SER CA C 61.55 0.1 1 185 44 SER CB C 64.45 0.1 1 186 45 GLY H H 8.59 0.02 1 187 45 GLY N N 109.71 0.1 1 188 45 GLY C C 175.43 0.1 1 189 45 GLY CA C 45.15 0.1 1 190 46 LYS H H 8.38 0.02 1 191 46 LYS N N 123.81 0.1 1 192 46 LYS C C 177.83 0.1 1 193 46 LYS CA C 60.15 0.1 1 194 46 LYS CB C 30.55 0.1 1 195 47 SER H H 8.92 0.02 1 196 47 SER N N 116.61 0.1 1 197 47 SER C C 177.33 0.1 1 198 47 SER CA C 61.55 0.1 1 199 48 THR H H 7.18 0.02 1 200 48 THR N N 121.61 0.1 1 201 48 THR C C 175.73 0.1 1 202 48 THR CA C 66.95 0.1 1 203 48 THR CB C 67.55 0.1 1 204 49 LEU H H 8.28 0.02 1 205 49 LEU N N 121.31 0.1 1 206 49 LEU C C 178.43 0.1 1 207 49 LEU CA C 58.55 0.1 1 208 49 LEU CB C 40.35 0.1 1 209 50 ILE H H 7.44 0.02 1 210 50 ILE N N 115.31 0.1 1 211 50 ILE C C 179.13 0.1 1 212 50 ILE CA C 64.35 0.1 1 213 50 ILE CB C 36.45 0.1 1 214 51 ASN H H 8.15 0.02 1 215 51 ASN N N 122.51 0.1 1 216 51 ASN C C 176.73 0.1 1 217 51 ASN CA C 56.45 0.1 1 218 51 ASN CB C 37.75 0.1 1 219 52 VAL H H 7.97 0.02 1 220 52 VAL N N 122.31 0.1 1 221 52 VAL C C 178.83 0.1 1 222 52 VAL CA C 64.75 0.1 1 223 52 VAL CB C 31.25 0.1 1 224 53 ILE H H 7.79 0.02 1 225 53 ILE N N 117.61 0.1 1 226 53 ILE C C 175.13 0.1 1 227 53 ILE CA C 65.75 0.1 1 229 54 THR H H 7.09 0.02 1 230 54 THR N N 99.31 0.1 1 231 54 THR C C 174.33 0.1 1 232 54 THR CA C 61.85 0.1 1 233 54 THR CB C 69.75 0.1 1 234 55 GLY H H 7.09 0.02 1 235 55 GLY N N 106.61 0.1 1 236 55 GLY C C 174.83 0.1 1 237 55 GLY CA C 46.75 0.1 1 238 56 PHE H H 8.04 0.02 1 239 56 PHE N N 119.81 0.1 1 240 56 PHE C C 175.43 0.1 1 241 56 PHE CA C 60.75 0.1 1 242 56 PHE CB C 39.55 0.1 1 243 57 LEU H H 7.23 0.02 1 244 57 LEU N N 118.71 0.1 1 245 57 LEU C C 174.83 0.1 1 246 57 LEU CA C 52.95 0.1 1 247 57 LEU CB C 47.15 0.1 1 248 58 LYS H H 8.15 0.02 1 249 58 LYS N N 120.01 0.1 1 250 58 LYS C C 177.53 0.1 1 251 58 LYS CA C 54.55 0.1 1 252 58 LYS CB C 31.95 0.1 1 253 59 ALA H H 9.36 0.02 1 254 59 ALA N N 125.71 0.1 1 255 59 ALA C C 177.83 0.1 1 256 59 ALA CA C 52.25 0.1 1 257 59 ALA CB C 18.15 0.1 1 258 60 ASP H H 7.93 0.02 1 259 60 ASP N N 122.21 0.1 1 260 60 ASP C C 176.33 0.1 1 261 60 ASP CA C 57.65 0.1 1 263 61 GLU H H 7.67 0.02 1 264 61 GLU N N 114.91 0.1 1 265 61 GLU C C 175.23 0.1 1 266 61 GLU CA C 54.85 0.1 1 267 61 GLU CB C 33.85 0.1 1 268 62 GLY H H 8.05 0.02 1 269 62 GLY N N 108.21 0.1 1 270 62 GLY C C 173.73 0.1 1 271 62 GLY CA C 44.95 0.1 1 272 63 ARG H H 7.44 0.02 1 273 63 ARG N N 113.41 0.1 1 274 63 ARG C C 174.83 0.1 1 275 63 ARG CA C 53.85 0.1 1 276 63 ARG CB C 36.75 0.1 1 277 64 VAL H H 8.52 0.02 1 278 64 VAL N N 122.31 0.1 1 279 64 VAL C C 173.33 0.1 1 280 64 VAL CA C 61.55 0.1 1 281 64 VAL CB C 34.05 0.1 1 282 65 TYR H H 8.86 0.02 1 283 65 TYR N N 122.51 0.1 1 284 65 TYR C C 175.43 0.1 1 285 65 TYR CA C 56.05 0.1 1 286 65 TYR CB C 42.15 0.1 1 287 66 PHE H H 9.19 0.02 1 288 66 PHE N N 123.51 0.1 1 289 66 PHE C C 175.63 0.1 1 290 66 PHE CA C 55.95 0.1 1 291 66 PHE CB C 43.35 0.1 1 292 67 GLU H H 9.00 0.02 1 293 67 GLU N N 126.61 0.1 1 294 67 GLU C C 176.13 0.1 1 295 67 GLU CA C 57.85 0.1 1 296 67 GLU CB C 27.15 0.1 1 297 68 ASN H H 8.78 0.02 1 298 68 ASN N N 109.61 0.1 1 299 68 ASN C C 174.33 0.1 1 300 68 ASN CA C 55.15 0.1 1 301 68 ASN CB C 38.35 0.1 1 302 69 LYS H H 7.99 0.02 1 303 69 LYS N N 120.81 0.1 1 304 69 LYS C C 175.83 0.1 1 305 69 LYS CA C 55.15 0.1 1 306 69 LYS CB C 33.15 0.1 1 307 70 ASP H H 8.48 0.02 1 308 70 ASP N N 123.41 0.1 1 309 70 ASP C C 177.63 0.1 1 310 70 ASP CA C 54.65 0.1 1 311 70 ASP CB C 40.25 0.1 1 312 71 ILE H H 8.53 0.02 1 313 71 ILE N N 122.81 0.1 1 314 71 ILE C C 175.43 0.1 1 315 71 ILE CA C 60.85 0.1 1 316 71 ILE CB C 37.05 0.1 1 317 72 THR H H 8.20 0.02 1 318 72 THR N N 121.31 0.1 1 319 72 THR C C 175.73 0.1 1 320 72 THR CA C 65.65 0.1 1 321 72 THR CB C 68.95 0.1 1 322 73 ASN H H 9.47 0.02 1 323 73 ASN N N 122.61 0.1 1 324 73 ASN C C 175.33 0.1 1 325 73 ASN CA C 54.25 0.1 1 326 73 ASN CB C 35.95 0.1 1 327 74 LYS H H 7.08 0.02 1 329 74 LYS C C 175.63 0.1 1 330 74 LYS CA C 56.35 0.1 1 331 74 LYS CB C 33.15 0.1 1 332 75 GLU H H 8.41 0.02 1 333 75 GLU N N 118.01 0.1 1 334 75 GLU C C 176.33 0.1 1 335 75 GLU CA C 54.55 0.1 1 336 75 GLU CB C 28.25 0.1 1 337 76 PRO C C 179.13 0.1 1 338 76 PRO CA C 66.31 0.1 1 339 76 PRO CB C 31.81 0.1 1 340 77 ALA H H 8.24 0.02 1 341 77 ALA N N 116.51 0.1 1 342 77 ALA C C 180.03 0.1 1 343 77 ALA CA C 55.05 0.1 1 344 77 ALA CB C 18.35 0.1 1 345 78 GLU H H 7.10 0.02 1 346 78 GLU N N 116.21 0.1 1 347 78 GLU C C 179.03 0.1 1 348 78 GLU CA C 58.55 0.1 1 349 78 GLU CB C 29.85 0.1 1 350 79 LEU H H 7.48 0.02 1 351 79 LEU N N 118.31 0.1 1 352 79 LEU C C 179.43 0.1 1 353 79 LEU CA C 57.95 0.1 1 354 79 LEU CB C 39.95 0.1 1 355 80 TYR H H 7.79 0.02 1 356 80 TYR N N 120.41 0.1 1 357 80 TYR C C 179.73 0.1 1 358 80 TYR CA C 60.75 0.1 1 359 80 TYR CB C 37.75 0.1 1 360 81 HIS H H 7.19 0.02 1 361 81 HIS N N 118.11 0.1 1 362 81 HIS C C 177.13 0.1 1 363 81 HIS CA C 58.65 0.1 1 365 82 TYR H H 7.46 0.02 1 366 82 TYR N N 117.31 0.1 1 367 82 TYR C C 176.03 0.1 1 368 82 TYR CA C 58.65 0.1 1 369 82 TYR CB C 37.75 0.1 1 370 83 GLY H H 7.46 0.02 1 371 83 GLY N N 103.51 0.1 1 372 83 GLY C C 174.03 0.1 1 373 83 GLY CA C 45.45 0.1 1 374 84 ILE H H 7.18 0.02 1 375 84 ILE N N 122.21 0.1 1 376 84 ILE C C 173.43 0.1 1 377 84 ILE CA C 60.75 0.1 1 378 84 ILE CB C 38.55 0.1 1 379 85 VAL H H 7.94 0.02 1 380 85 VAL N N 123.41 0.1 1 381 85 VAL C C 172.83 0.1 1 382 85 VAL CA C 60.05 0.1 1 383 85 VAL CB C 35.35 0.1 1 384 86 ARG H H 8.21 0.02 1 385 86 ARG N N 124.51 0.1 1 386 86 ARG C C 177.63 0.1 1 387 86 ARG CA C 53.45 0.1 1 388 86 ARG CB C 32.85 0.1 1 389 87 THR H H 7.92 0.02 1 390 87 THR N N 113.01 0.1 1 391 87 THR C C 173.93 0.1 1 392 87 THR CA C 61.55 0.1 1 393 87 THR CB C 69.35 0.1 1 394 88 PHE H H 7.98 0.02 1 395 88 PHE N N 117.41 0.1 1 396 88 PHE C C 174.03 0.1 1 397 88 PHE CA C 56.35 0.1 1 398 88 PHE CB C 41.65 0.1 1 399 89 GLN H H 8.15 0.02 1 404 90 THR H H 8.33 0.02 1 409 93 PRO C C 179.03 0.1 1 410 93 PRO CA C 66.11 0.1 1 411 93 PRO CB C 30.57 0.1 1 412 94 LEU H H 6.87 0.02 1 413 94 LEU N N 115.11 0.1 1 414 94 LEU C C 179.63 0.1 1 415 94 LEU CA C 56.65 0.1 1 416 94 LEU CB C 40.25 0.1 1 417 95 LYS H H 7.70 0.02 1 418 95 LYS N N 120.41 0.1 1 419 95 LYS C C 176.93 0.1 1 420 95 LYS CA C 59.25 0.1 1 421 95 LYS CB C 31.35 0.1 1 422 96 GLU H H 6.70 0.02 1 423 96 GLU N N 114.61 0.1 1 424 96 GLU C C 176.23 0.1 1 425 96 GLU CA C 56.05 0.1 1 426 96 GLU CB C 29.65 0.1 1 427 97 MET H H 6.93 0.02 1 428 97 MET N N 118.21 0.1 1 429 97 MET C C 175.73 0.1 1 430 97 MET CA C 54.75 0.1 1 431 97 MET CB C 33.85 0.1 1 432 98 THR H H 8.80 0.02 1 433 98 THR N N 110.01 0.1 1 434 98 THR C C 177.73 0.1 1 435 98 THR CA C 61.75 0.1 1 436 98 THR CB C 71.95 0.1 1 437 99 VAL H H 8.13 0.02 1 438 99 VAL N N 123.51 0.1 1 439 99 VAL C C 177.23 0.1 1 440 99 VAL CA C 68.45 0.1 1 441 99 VAL CB C 31.25 0.1 1 442 100 LEU H H 8.15 0.02 1 443 100 LEU N N 117.31 0.1 1 444 100 LEU C C 179.53 0.1 1 445 100 LEU CA C 59.15 0.1 1 446 100 LEU CB C 42.15 0.1 1 447 101 GLU H H 7.78 0.02 1 448 101 GLU N N 117.81 0.1 1 449 101 GLU C C 178.03 0.1 1 450 101 GLU CA C 60.15 0.1 1 451 101 GLU CB C 29.35 0.1 1 452 102 ASN H H 7.93 0.02 1 454 102 ASN C C 176.63 0.1 1 455 102 ASN CA C 57.55 0.1 1 456 102 ASN CB C 41.15 0.1 1 457 103 LEU H H 7.35 0.02 1 458 103 LEU N N 119.11 0.1 1 459 103 LEU C C 178.23 0.1 1 460 103 LEU CA C 58.45 0.1 1 461 103 LEU CB C 41.05 0.1 1 462 104 LEU C C 178.43 0.1 1 463 104 LEU CA C 57.11 0.1 1 465 105 ILE H H 7.28 0.02 1 466 105 ILE N N 114.01 0.1 1 467 105 ILE C C 176.53 0.1 1 468 105 ILE CA C 62.75 0.1 1 469 105 ILE CB C 37.75 0.1 1 470 106 GLY H H 7.87 0.02 1 474 107 GLU H H 7.46 0.02 1 479 110 PRO C C 176.43 0.1 1 480 110 PRO CA C 62.55 0.1 1 481 110 PRO CB C 37.85 0.1 1 482 111 GLY H H 7.82 0.02 1 483 111 GLY N N 109.61 0.1 1 484 111 GLY C C 173.73 0.1 1 485 111 GLY CA C 45.95 0.1 1 486 112 GLU H H 7.55 0.02 1 488 112 GLU C C 176.13 0.1 1 489 112 GLU CA C 56.35 0.1 1 490 112 GLU CB C 30.05 0.1 1 491 113 SER H H 7.84 0.02 1 492 113 SER N N 116.41 0.1 1 493 113 SER C C 176.33 0.1 1 494 113 SER CA C 56.05 0.1 1 495 113 SER CB C 63.95 0.1 1 496 114 PRO C C 176.33 0.1 1 497 114 PRO CA C 63.25 0.1 1 498 114 PRO CB C 31.64 0.1 1 499 115 LEU H H 7.69 0.02 1 504 116 ASN H H 7.58 0.02 1 506 116 ASN C C 173.83 0.1 1 507 116 ASN CA C 54.05 0.1 1 508 116 ASN CB C 46.15 0.1 1 509 118 LEU C C 174.73 0.1 1 510 118 LEU CA C 59.61 0.1 1 511 118 LEU CB C 41.81 0.1 1 512 119 PHE H H 7.76 0.02 1 513 119 PHE N N 120.11 0.1 1 514 119 PHE C C 175.03 0.1 1 515 119 PHE CA C 59.25 0.1 1 516 119 PHE CB C 40.25 0.1 1 517 120 TYR H H 7.79 0.02 1 518 120 TYR N N 122.61 0.1 1 519 120 TYR C C 174.43 0.1 1 520 120 TYR CA C 55.45 0.1 1 521 120 TYR CB C 35.15 0.1 1 522 121 LYS H H 9.19 0.02 1 523 121 LYS N N 120.81 0.1 1 524 121 LYS C C 175.73 0.1 1 525 121 LYS CA C 58.25 0.1 1 526 121 LYS CB C 31.25 0.1 1 527 122 LYS H H 8.17 0.02 1 528 122 LYS N N 118.01 0.1 1 529 122 LYS C C 174.83 0.1 1 530 122 LYS CA C 54.95 0.1 1 531 122 LYS CB C 31.25 0.1 1 532 123 TRP H H 7.79 0.02 1 534 123 TRP C C 175.63 0.1 1 535 123 TRP CA C 55.35 0.1 1 536 123 TRP CB C 42.05 0.1 1 537 124 ILE H H 8.45 0.02 1 538 124 ILE N N 120.81 0.1 1 539 124 ILE C C 176.63 0.1 1 540 124 ILE CA C 55.45 0.1 1 541 124 ILE CB C 40.25 0.1 1 542 125 PRO C C 176.23 0.1 1 543 125 PRO CA C 63.31 0.1 1 544 125 PRO CB C 31.81 0.1 1 545 126 LYS H H 7.97 0.02 1 546 126 LYS N N 119.31 0.1 1 547 126 LYS C C 176.63 0.1 1 548 126 LYS CA C 55.45 0.1 1 549 126 LYS CB C 31.95 0.1 1 550 127 GLU H H 7.69 0.02 1 551 127 GLU N N 121.31 0.1 1 552 127 GLU C C 177.83 0.1 1 553 127 GLU CA C 57.25 0.1 1 554 127 GLU CB C 29.75 0.1 1 555 128 GLU H H 8.69 0.02 1 556 128 GLU N N 123.51 0.1 1 557 128 GLU C C 178.63 0.1 1 558 128 GLU CA C 60.25 0.1 1 559 128 GLU CB C 29.25 0.1 1 560 129 GLU H H 8.74 0.02 1 561 129 GLU N N 118.31 0.1 1 562 129 GLU C C 179.33 0.1 1 563 129 GLU CA C 59.45 0.1 1 564 129 GLU CB C 29.05 0.1 1 565 130 MET H H 7.35 0.02 1 566 130 MET N N 118.61 0.1 1 567 130 MET C C 177.73 0.1 1 568 130 MET CA C 58.15 0.1 1 569 130 MET CB C 31.95 0.1 1 570 131 VAL H H 7.65 0.02 1 571 131 VAL N N 120.31 0.1 1 572 131 VAL C C 177.63 0.1 1 573 131 VAL CA C 67.05 0.1 1 574 131 VAL CB C 31.35 0.1 1 575 132 GLU H H 7.83 0.02 1 576 132 GLU N N 118.81 0.1 1 577 132 GLU C C 179.33 0.1 1 578 132 GLU CA C 59.85 0.1 1 579 132 GLU CB C 29.05 0.1 1 580 133 LYS H H 7.39 0.02 1 581 133 LYS N N 119.81 0.1 1 582 133 LYS C C 178.73 0.1 1 583 133 LYS CA C 59.85 0.1 1 584 133 LYS CB C 32.15 0.1 1 585 134 ALA H H 7.93 0.02 1 586 134 ALA N N 121.11 0.1 1 587 134 ALA C C 180.03 0.1 1 588 134 ALA CA C 55.15 0.1 1 589 134 ALA CB C 18.35 0.1 1 590 135 PHE H H 8.39 0.02 1 591 135 PHE N N 117.31 0.1 1 592 135 PHE C C 179.23 0.1 1 593 135 PHE CA C 63.45 0.1 1 594 135 PHE CB C 38.25 0.1 1 595 136 LYS H H 7.85 0.02 1 596 136 LYS N N 120.31 0.1 1 597 136 LYS C C 180.73 0.1 1 598 136 LYS CA C 59.55 0.1 1 599 136 LYS CB C 31.35 0.1 1 600 137 ILE H H 7.78 0.02 1 601 137 ILE N N 123.11 0.1 1 602 137 ILE C C 178.13 0.1 1 603 137 ILE CA C 65.35 0.1 1 604 137 ILE CB C 37.05 0.1 1 605 138 LEU H H 8.37 0.02 1 606 138 LEU N N 118.61 0.1 1 607 138 LEU C C 179.43 0.1 1 608 138 LEU CA C 58.35 0.1 1 609 138 LEU CB C 40.25 0.1 1 610 139 GLU H H 8.18 0.02 1 611 139 GLU N N 120.01 0.1 1 612 139 GLU C C 180.13 0.1 1 613 139 GLU CA C 59.65 0.1 1 614 139 GLU CB C 29.05 0.1 1 615 140 PHE H H 7.68 0.02 1 616 140 PHE N N 123.21 0.1 1 617 140 PHE C C 176.33 0.1 1 618 140 PHE CA C 60.75 0.1 1 619 140 PHE CB C 38.35 0.1 1 620 141 LEU H H 7.51 0.02 1 621 141 LEU N N 115.11 0.1 1 622 141 LEU C C 174.03 0.1 1 623 141 LEU CA C 54.55 0.1 1 624 141 LEU CB C 41.85 0.1 1 625 142 LYS H H 7.50 0.02 1 626 142 LYS N N 113.51 0.1 1 627 142 LYS C C 176.63 0.1 1 628 142 LYS CA C 57.05 0.1 1 629 142 LYS CB C 28.05 0.1 1 630 143 LEU H H 8.22 0.02 1 632 143 LEU C C 178.73 0.1 1 633 143 LEU CA C 53.55 0.1 1 634 143 LEU CB C 45.25 0.1 1 635 144 SER H H 7.63 0.02 1 636 144 SER N N 115.91 0.1 1 637 144 SER C C 178.73 0.1 1 638 144 SER CA C 62.95 0.1 1 639 144 SER CB C 62.45 0.1 1 640 145 HIS C C 176.03 0.1 1 641 145 HIS CA C 57.81 0.1 1 642 145 HIS CB C 29.01 0.1 1 643 146 LEU H H 7.29 0.02 1 644 146 LEU N N 120.11 0.1 1 645 146 LEU C C 178.23 0.1 1 646 146 LEU CA C 53.55 0.1 1 647 146 LEU CB C 41.35 0.1 1 648 147 TYR H H 7.04 0.02 1 649 147 TYR N N 116.71 0.1 1 650 147 TYR C C 173.23 0.1 1 651 147 TYR CA C 61.35 0.1 1 652 147 TYR CB C 37.75 0.1 1 653 148 ASP H H 7.28 0.02 1 654 148 ASP N N 117.71 0.1 1 655 148 ASP C C 176.13 0.1 1 656 148 ASP CA C 51.95 0.1 1 657 148 ASP CB C 39.35 0.1 1 658 149 ARG H H 7.27 0.02 1 659 149 ARG N N 120.21 0.1 1 660 149 ARG C C 176.73 0.1 1 661 149 ARG CA C 53.45 0.1 1 662 149 ARG CB C 29.25 0.1 1 663 150 LYS H H 8.36 0.02 1 664 150 LYS N N 121.21 0.1 1 665 150 LYS C C 178.63 0.1 1 666 150 LYS CA C 56.95 0.1 1 668 151 ALA H H 8.59 0.02 1 669 151 ALA N N 125.61 0.1 1 670 151 ALA C C 179.23 0.1 1 671 151 ALA CA C 54.85 0.1 1 672 151 ALA CB C 17.15 0.1 1 673 152 GLY H H 8.62 0.02 1 674 152 GLY N N 102.21 0.1 1 675 152 GLY C C 174.13 0.1 1 676 152 GLY CA C 46.15 0.1 1 677 153 GLU H H 7.63 0.02 1 678 153 GLU N N 117.81 0.1 1 679 153 GLU C C 177.03 0.1 1 680 153 GLU CA C 56.65 0.1 1 681 153 GLU CB C 29.65 0.1 1 682 154 LEU H H 7.11 0.02 1 687 155 SER H H 8.39 0.02 1 689 155 SER C C 175.53 0.1 1 690 155 SER CA C 57.45 0.1 1 692 157 GLY C C 175.33 0.1 1 693 157 GLY CA C 47.51 0.1 1 694 158 GLN H H 7.26 0.02 1 695 158 GLN N N 119.71 0.1 1 696 158 GLN C C 178.53 0.1 1 697 158 GLN CA C 59.05 0.1 1 698 158 GLN CB C 28.75 0.1 1 699 159 MET H H 8.38 0.02 1 700 159 MET N N 118.91 0.1 1 701 159 MET C C 178.73 0.1 1 702 159 MET CA C 57.85 0.1 1 703 159 MET CB C 32.75 0.1 1 704 160 LYS H H 7.38 0.02 1 705 160 LYS N N 117.31 0.1 1 706 160 LYS C C 179.93 0.1 1 707 160 LYS CA C 57.65 0.1 1 708 160 LYS CB C 30.35 0.1 1 709 161 LEU H H 7.15 0.02 1 710 161 LEU N N 117.21 0.1 1 711 161 LEU C C 178.83 0.1 1 712 161 LEU CA C 57.95 0.1 1 713 161 LEU CB C 40.95 0.1 1 714 162 VAL H H 7.59 0.02 1 715 162 VAL N N 120.91 0.1 1 716 162 VAL C C 177.13 0.1 1 717 162 VAL CA C 67.15 0.1 1 718 162 VAL CB C 30.55 0.1 1 719 163 GLU H H 7.77 0.02 1 720 163 GLU N N 119.21 0.1 1 721 163 GLU C C 180.63 0.1 1 724 164 ILE H H 7.51 0.02 1 725 164 ILE N N 120.51 0.1 1 726 164 ILE C C 177.53 0.1 1 727 164 ILE CA C 65.95 0.1 1 728 164 ILE CB C 37.65 0.1 1 729 165 GLY H H 8.61 0.02 1 730 165 GLY N N 108.81 0.1 1 731 165 GLY C C 174.53 0.1 1 732 166 ARG H H 8.37 0.02 1 733 166 ARG N N 120.21 0.1 1 734 166 ARG C C 178.93 0.1 1 735 166 ARG CA C 59.95 0.1 1 736 166 ARG CB C 29.95 0.1 1 737 167 ALA H H 6.94 0.02 1 738 167 ALA N N 120.81 0.1 1 739 167 ALA C C 179.93 0.1 1 740 167 ALA CA C 54.65 0.1 1 741 167 ALA CB C 17.85 0.1 1 742 168 LEU H H 7.83 0.02 1 743 168 LEU N N 117.01 0.1 1 744 168 LEU C C 179.23 0.1 1 745 168 LEU CA C 56.65 0.1 1 746 168 LEU CB C 41.05 0.1 1 747 169 MET H H 7.25 0.02 1 748 169 MET N N 119.31 0.1 1 749 169 MET C C 177.03 0.1 1 750 169 MET CA C 57.15 0.1 1 751 169 MET CB C 30.95 0.1 1 752 170 THR H H 7.08 0.02 1 754 170 THR C C 174.33 0.1 1 755 170 THR CA C 61.65 0.1 1 756 170 THR CB C 69.35 0.1 1 757 171 ASN H H 7.55 0.02 1 758 171 ASN N N 115.31 0.1 1 759 171 ASN C C 171.63 0.1 1 760 171 ASN CA C 53.95 0.1 1 761 171 ASN CB C 37.15 0.1 1 762 172 PRO C C 176.33 0.1 1 763 172 PRO CA C 63.31 0.1 1 764 172 PRO CB C 32.21 0.1 1 765 173 LYS H H 8.77 0.02 1 766 173 LYS N N 116.31 0.1 1 767 173 LYS C C 177.93 0.1 1 768 173 LYS CA C 57.45 0.1 1 770 174 MET H H 8.21 0.02 1 771 174 MET N N 122.21 0.1 1 772 174 MET C C 172.53 0.1 1 773 174 MET CA C 54.15 0.1 1 775 175 ILE H H 7.97 0.02 1 776 175 ILE N N 125.41 0.1 1 777 175 ILE C C 174.23 0.1 1 778 175 ILE CA C 59.85 0.1 1 779 176 VAL H H 8.56 0.02 1 780 176 VAL N N 128.81 0.1 1 781 176 VAL C C 175.43 0.1 1 782 176 VAL CA C 60.05 0.1 1 783 177 MET H H 8.64 0.02 1 784 177 MET N N 123.41 0.1 1 785 177 MET C C 173.43 0.1 1 786 177 MET CA C 54.65 0.1 1 787 178 ASP H H 8.10 0.02 1 789 178 ASP C C 174.93 0.1 1 790 178 ASP CA C 52.95 0.1 1 791 178 ASP CB C 41.55 0.1 1 792 179 GLU H H 8.47 0.02 1 793 179 GLU N N 121.51 0.1 1 794 179 GLU C C 174.93 0.1 1 795 179 GLU CA C 57.05 0.1 1 796 179 GLU CB C 28.25 0.1 1 797 180 PRO C C 176.93 0.1 1 798 180 PRO CA C 64.71 0.1 1 799 180 PRO CB C 31.86 0.1 1 800 181 ILE H H 8.45 0.02 1 801 181 ILE N N 108.61 0.1 1 802 181 ILE C C 176.83 0.1 1 803 181 ILE CA C 59.65 0.1 1 805 182 ALA H H 7.40 0.02 1 806 182 ALA N N 127.41 0.1 1 807 182 ALA C C 179.33 0.1 1 808 182 ALA CA C 54.25 0.1 1 809 182 ALA CB C 18.15 0.1 1 810 183 GLY H H 8.51 0.02 1 811 183 GLY N N 110.21 0.1 1 812 183 GLY C C 174.63 0.1 1 813 183 GLY CA C 45.95 0.1 1 814 184 VAL H H 7.22 0.02 1 819 185 ALA H H 8.07 0.02 1 821 185 ALA C C 176.33 0.1 1 822 185 ALA CA C 51.25 0.1 1 824 187 GLY C C 176.43 0.1 1 825 187 GLY CA C 47.21 0.1 1 826 188 LEU H H 7.03 0.02 1 827 188 LEU N N 121.81 0.1 1 828 188 LEU C C 178.53 0.1 1 829 188 LEU CA C 56.66 0.1 1 830 189 ALA H H 7.99 0.02 1 831 189 ALA N N 123.11 0.1 1 832 189 ALA C C 179.53 0.1 1 833 189 ALA CA C 55.85 0.1 1 834 189 ALA CB C 18.15 0.1 1 835 190 HIS H H 7.75 0.02 1 836 190 HIS N N 115.31 0.1 1 837 190 HIS C C 177.53 0.1 1 838 190 HIS CA C 60.35 0.1 1 839 190 HIS CB C 30.05 0.1 1 840 191 ASP H H 7.45 0.02 1 841 191 ASP N N 120.31 0.1 1 842 191 ASP C C 179.33 0.1 1 843 191 ASP CA C 57.95 0.1 1 844 191 ASP CB C 40.45 0.1 1 845 192 ILE H H 8.07 0.02 1 846 192 ILE N N 119.31 0.1 1 847 192 ILE C C 178.13 0.1 1 848 192 ILE CA C 66.05 0.1 1 849 192 ILE CB C 37.25 0.1 1 850 193 PHE H H 7.71 0.02 1 851 193 PHE N N 117.31 0.1 1 852 193 PHE C C 177.53 0.1 1 853 193 PHE CA C 62.75 0.1 1 854 193 PHE CB C 36.05 0.1 1 855 194 ASN H H 8.39 0.02 1 856 194 ASN N N 120.51 0.1 1 857 194 ASN C C 178.83 0.1 1 858 194 ASN CA C 56.95 0.1 1 859 194 ASN CB C 37.85 0.1 1 860 195 HIS H H 7.30 0.02 1 861 195 HIS N N 118.01 0.1 1 862 195 HIS C C 178.13 0.1 1 863 195 HIS CA C 59.95 0.1 1 864 195 HIS CB C 28.05 0.1 1 865 196 VAL H H 7.56 0.02 1 866 196 VAL N N 121.01 0.1 1 867 196 VAL C C 177.53 0.1 1 868 196 VAL CA C 66.95 0.1 1 869 196 VAL CB C 29.65 0.1 1 870 197 LEU H H 7.99 0.02 1 871 197 LEU N N 118.81 0.1 1 872 197 LEU C C 180.83 0.1 1 873 197 LEU CA C 58.25 0.1 1 874 197 LEU CB C 40.55 0.1 1 875 198 GLU H H 7.53 0.02 1 876 198 GLU N N 120.61 0.1 1 877 198 GLU C C 179.73 0.1 1 878 198 GLU CA C 59.55 0.1 1 879 198 GLU CB C 29.45 0.1 1 880 199 LEU H H 7.93 0.02 1 881 199 LEU N N 120.51 0.1 1 882 199 LEU C C 179.93 0.1 1 883 199 LEU CA C 57.65 0.1 1 884 199 LEU CB C 41.25 0.1 1 885 200 LYS H H 8.93 0.02 1 886 200 LYS N N 125.51 0.1 1 887 200 LYS C C 181.33 0.1 1 888 200 LYS CA C 59.05 0.1 1 889 200 LYS CB C 31.55 0.1 1 890 201 ALA H H 7.55 0.02 1 891 201 ALA N N 123.01 0.1 1 892 201 ALA C C 179.33 0.1 1 895 202 LYS H H 7.23 0.02 1 896 202 LYS N N 116.41 0.1 1 897 202 LYS C C 176.93 0.1 1 898 202 LYS CA C 56.15 0.1 1 899 202 LYS CB C 31.85 0.1 1 900 203 GLY H H 7.91 0.02 1 901 203 GLY N N 107.21 0.1 1 902 203 GLY C C 174.13 0.1 1 903 204 ILE H H 7.42 0.02 1 904 204 ILE N N 123.11 0.1 1 905 204 ILE C C 173.73 0.1 1 906 204 ILE CA C 62.35 0.1 1 907 204 ILE CB C 37.25 0.1 1 908 205 THR H H 7.17 0.02 1 913 206 PHE H H 8.41 0.02 1 918 211 HIS C C 177.03 0.1 1 919 211 HIS CA C 62.71 0.1 1 920 211 HIS CB C 38.41 0.1 1 921 212 ARG H H 7.16 0.02 1 922 212 ARG N N 113.31 0.1 1 923 212 ARG C C 175.93 0.1 1 924 212 ARG CA C 62.45 0.1 1 925 212 ARG CB C 30.85 0.1 1 926 213 LEU H H 7.17 0.02 1 927 213 LEU N N 121.01 0.1 1 928 213 LEU C C 177.53 0.1 1 929 213 LEU CA C 58.85 0.1 1 930 213 LEU CB C 41.45 0.1 1 931 214 ASP H H 7.71 0.02 1 932 214 ASP N N 112.11 0.1 1 933 214 ASP C C 175.23 0.1 1 934 214 ASP CA C 55.05 0.1 1 935 214 ASP CB C 37.75 0.1 1 936 215 ILE H H 7.42 0.02 1 937 215 ILE N N 115.31 0.1 1 938 215 ILE C C 174.83 0.1 1 939 215 ILE CA C 58.15 0.1 1 940 215 ILE CB C 39.35 0.1 1 941 216 VAL H H 6.78 0.02 1 942 216 VAL N N 114.41 0.1 1 943 216 VAL C C 174.93 0.1 1 944 216 VAL CA C 59.55 0.1 1 945 216 VAL CB C 37.75 0.1 1 946 217 LEU H H 8.41 0.02 1 947 217 LEU N N 120.21 0.1 1 948 217 LEU C C 176.33 0.1 1 949 217 LEU CA C 56.45 0.1 1 950 217 LEU CB C 43.55 0.1 1 951 218 ASN H H 7.44 0.02 1 952 218 ASN N N 120.01 0.1 1 953 218 ASN C C 170.63 0.1 1 954 218 ASN CA C 52.65 0.1 1 956 219 TYR H H 9.20 0.02 1 957 219 TYR N N 130.41 0.1 1 958 219 TYR C C 174.13 0.1 1 961 220 ILE H H 8.84 0.02 1 962 220 ILE N N 122.21 0.1 1 964 220 ILE CA C 57.55 0.1 1 965 221 ASP H H 8.40 0.02 1 968 222 HIS H H 8.99 0.02 1 970 222 HIS CA C 59.55 0.1 1 971 224 TYR C C 174.33 0.1 1 972 224 TYR CA C 57.70 0.1 1 973 225 VAL H H 8.30 0.02 1 974 225 VAL N N 119.41 0.1 1 975 225 VAL C C 175.53 0.1 1 976 225 VAL CA C 60.55 0.1 1 977 226 MET H H 9.17 0.02 1 978 226 MET N N 127.41 0.1 1 979 226 MET C C 173.73 0.1 1 980 226 MET CA C 54.95 0.1 1 981 226 MET CB C 36.55 0.1 1 982 227 PHE H H 8.58 0.02 1 983 227 PHE N N 116.31 0.1 1 984 227 PHE C C 176.03 0.1 1 985 227 PHE CA C 57.65 0.1 1 987 228 ASN H H 8.42 0.02 1 988 228 ASN N N 127.11 0.1 1 989 228 ASN C C 174.73 0.1 1 990 228 ASN CA C 53.75 0.1 1 991 228 ASN CB C 36.95 0.1 1 992 229 GLY H H 7.86 0.02 1 993 229 GLY N N 103.51 0.1 1 994 229 GLY C C 172.83 0.1 1 995 229 GLY CA C 47.15 0.1 1 996 230 GLN H H 7.41 0.02 1 997 230 GLN N N 115.61 0.1 1 998 230 GLN C C 175.33 0.1 1 999 230 GLN CA C 53.45 0.1 1 1000 230 GLN CB C 32.75 0.1 1 1001 231 ILE H H 8.63 0.02 1 1002 231 ILE N N 121.91 0.1 1 1003 231 ILE C C 177.53 0.1 1 1004 231 ILE CA C 60.05 0.1 1 1005 231 ILE CB C 36.25 0.1 1 1006 232 ILE H H 8.87 0.02 1 1007 232 ILE N N 121.51 0.1 1 1008 232 ILE C C 175.33 0.1 1 1009 232 ILE CA C 60.65 0.1 1 1010 232 ILE CB C 39.75 0.1 1 1011 233 ALA H H 7.56 0.02 1 1012 233 ALA N N 121.81 0.1 1 1013 233 ALA C C 174.73 0.1 1 1014 233 ALA CA C 52.55 0.1 1 1016 234 GLU H H 8.06 0.02 1 1017 234 GLU N N 119.71 0.1 1 1018 234 GLU C C 174.43 0.1 1 1019 234 GLU CA C 54.65 0.1 1 1020 234 GLU CB C 32.85 0.1 1 1021 235 GLY H H 8.75 0.02 1 1022 235 GLY N N 109.51 0.1 1 1023 235 GLY C C 171.03 0.1 1 1025 236 ARG H H 9.45 0.02 1 1026 236 ARG N N 126.71 0.1 1 1027 236 ARG C C 175.73 0.1 1 1028 236 ARG CA C 55.95 0.1 1 1029 236 ARG CB C 31.85 0.1 1 1030 237 GLY H H 7.49 0.02 1 1031 237 GLY N N 111.61 0.1 1 1032 237 GLY C C 172.83 0.1 1 1033 238 GLU H H 7.96 0.02 1 1034 238 GLU N N 118.91 0.1 1 1035 238 GLU C C 177.93 0.1 1 1036 238 GLU CA C 60.65 0.1 1 1037 238 GLU CB C 29.95 0.1 1 1038 239 GLU H H 8.04 0.02 1 1039 239 GLU N N 118.21 0.1 1 1040 239 GLU C C 179.23 0.1 1 1041 239 GLU CA C 59.75 0.1 1 1042 239 GLU CB C 28.95 0.1 1 1043 240 GLU H H 8.19 0.02 1 1044 240 GLU N N 118.61 0.1 1 1045 240 GLU C C 180.23 0.1 1 1046 240 GLU CA C 59.45 0.1 1 1047 240 GLU CB C 29.75 0.1 1 1048 241 ILE H H 8.10 0.02 1 1049 241 ILE N N 119.21 0.1 1 1050 241 ILE C C 177.23 0.1 1 1051 241 ILE CA C 67.25 0.1 1 1052 241 ILE CB C 36.85 0.1 1 1053 242 LYS H H 7.78 0.02 1 1054 242 LYS N N 118.51 0.1 1 1055 242 LYS C C 179.73 0.1 1 1056 242 LYS CA C 60.15 0.1 1 1057 242 LYS CB C 31.25 0.1 1 1058 243 ASN H H 7.40 0.02 1 1059 243 ASN N N 117.71 0.1 1 1060 243 ASN C C 178.33 0.1 1 1061 243 ASN CA C 55.95 0.1 1 1062 243 ASN CB C 38.05 0.1 1 1063 244 VAL H H 8.10 0.02 1 1064 244 VAL N N 123.01 0.1 1 1065 244 VAL C C 177.73 0.1 1 1066 244 VAL CA C 66.35 0.1 1 1067 244 VAL CB C 30.85 0.1 1 1068 245 LEU H H 7.38 0.02 1 1069 245 LEU N N 114.71 0.1 1 1070 245 LEU C C 177.53 0.1 1 1071 245 LEU CA C 56.55 0.1 1 1072 245 LEU CB C 40.75 0.1 1 1073 246 SER H H 7.05 0.02 1 1075 246 SER C C 173.73 0.1 1 1076 246 SER CA C 57.65 0.1 1 1077 246 SER CB C 64.15 0.1 1 1078 247 ASP H H 7.31 0.02 1 1079 247 ASP N N 128.01 0.1 1 1080 247 ASP C C 175.83 0.1 1 1081 247 ASP CA C 52.55 0.1 1 1082 247 ASP CB C 42.45 0.1 1 1083 248 PRO C C 178.73 0.1 1 1084 248 PRO CA C 65.51 0.1 1 1085 248 PRO CB C 32.11 0.1 1 1086 249 LYS H H 8.42 0.02 1 1087 249 LYS N N 116.91 0.1 1 1088 249 LYS C C 177.83 0.1 1 1089 249 LYS CA C 58.45 0.1 1 1090 249 LYS CB C 31.45 0.1 1 1091 250 VAL H H 7.22 0.02 1 1092 250 VAL N N 119.21 0.1 1 1093 250 VAL C C 177.33 0.1 1 1094 250 VAL CA C 65.45 0.1 1 1095 250 VAL CB C 31.45 0.1 1 1096 251 VAL H H 7.77 0.02 1 1097 251 VAL N N 118.21 0.1 1 1098 251 VAL C C 179.43 0.1 1 1099 251 VAL CA C 66.35 0.1 1 1100 251 VAL CB C 31.45 0.1 1 1101 252 GLU H H 7.46 0.02 1 1102 252 GLU N N 116.31 0.1 1 1103 252 GLU C C 178.83 0.1 1 1104 252 GLU CA C 58.95 0.1 1 1105 252 GLU CB C 29.35 0.1 1 1106 253 ILE H H 7.00 0.02 1 1107 253 ILE N N 112.41 0.1 1 1108 253 ILE C C 176.33 0.1 1 1109 253 ILE CA C 63.45 0.1 1 1110 253 ILE CB C 36.65 0.1 1 1111 254 TYR H H 7.15 0.02 1 1112 254 TYR N N 118.01 0.1 1 1113 254 TYR C C 176.43 0.1 1 1114 254 TYR CA C 59.75 0.1 1 1116 255 ILE H H 7.35 0.02 1 1117 255 ILE N N 121.41 0.1 1 1118 255 ILE C C 177.13 0.1 1 1119 255 ILE CA C 62.85 0.1 1 1120 255 ILE CB C 37.45 0.1 1 1121 256 GLY H H 8.08 0.02 1 1125 257 GLU H H 7.46 0.02 1 stop_ save_