data_4866 #Corrected using PDB structure: 2ESPA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 85 C CB 26.12 31.95 #107 C CB 26.26 31.39 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 77 N H 11.57 8.29 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A -0.16 -0.02 N/A -0.19 0.06 # #bmr4866.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4866.str file): #HA CA CB CO N HN #N/A -0.09 -0.09 N/A -0.19 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.14 +/-0.11 N/A +/-0.36 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.966 0.995 N/A 0.801 0.677 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.794 0.612 N/A 2.026 0.329 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignment of Human UBC4 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Farrow Neil A . 2 Archer Sharon J . 3 Wu Zhongren J . 4 Camac Daniel M . 5 Parsons Tom . . 6 Rolfe Mark . . 7 Domaille Peter J . stop_ _BMRB_accession_number 4866 _BMRB_flat_file_name bmr4866.str _Entry_type new _Submission_date 2000-10-18 _Accession_date 2000-10-18 _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' 128 '13C chemical shifts' 244 '15N chemical shifts' 128 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Backbone resonance assignment of human UBC4 ; _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 Farrow Neil A . 2 Archer Sharon J . 3 Wu Zhongren J . 4 Camac Daniel M . 5 Parsons Tom . . 6 Rolfe Mark . . 7 Domaille Peter J . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 18 _Journal_issue 4 _Page_first 363 _Page_last 364 _Year 2000 loop_ _Keyword "UBC4" "heteronuclear NMR" "resonance assignments" "ubiquitination" stop_ save_ ################################## # Molecular system description # ################################## save_system_UBC4 _Saveframe_category molecular_system _Mol_system_name UBC4 _Abbreviation_common UBC4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ubc4 $ubc4 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function "mediates transfer between E1 and E3 components of ubiquitination pathways" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details genbank 765056 ? ; In the genbank listing of this sequences residue 129 is incorrectly listed as glutamine, it is actually lysine. ; stop_ save_ ######################## # Monomeric polymers # ######################## save_ubc4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "ubiquition conjugating enzyme 4" _Name_variant . _Abbreviation_common ubc4 _Molecular_mass 16735.3 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MALKRIHKELNDLARDPPAQ CSAGPVGDDMFHWQATIMGP NDSPYQGGVFFLTIHFPTDY PFKPPKVAFTTRIYHPNINS NGSICLDILRSQWSPALTIS KVLLSICSLLCDPNPDDPLV PEIARIYKTDREKYNRIARE WTQKYAM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 LYS 5 ARG 6 ILE 7 HIS 8 LYS 9 GLU 10 LEU 11 ASN 12 ASP 13 LEU 14 ALA 15 ARG 16 ASP 17 PRO 18 PRO 19 ALA 20 GLN 21 CYS 22 SER 23 ALA 24 GLY 25 PRO 26 VAL 27 GLY 28 ASP 29 ASP 30 MET 31 PHE 32 HIS 33 TRP 34 GLN 35 ALA 36 THR 37 ILE 38 MET 39 GLY 40 PRO 41 ASN 42 ASP 43 SER 44 PRO 45 TYR 46 GLN 47 GLY 48 GLY 49 VAL 50 PHE 51 PHE 52 LEU 53 THR 54 ILE 55 HIS 56 PHE 57 PRO 58 THR 59 ASP 60 TYR 61 PRO 62 PHE 63 LYS 64 PRO 65 PRO 66 LYS 67 VAL 68 ALA 69 PHE 70 THR 71 THR 72 ARG 73 ILE 74 TYR 75 HIS 76 PRO 77 ASN 78 ILE 79 ASN 80 SER 81 ASN 82 GLY 83 SER 84 ILE 85 CYS 86 LEU 87 ASP 88 ILE 89 LEU 90 ARG 91 SER 92 GLN 93 TRP 94 SER 95 PRO 96 ALA 97 LEU 98 THR 99 ILE 100 SER 101 LYS 102 VAL 103 LEU 104 LEU 105 SER 106 ILE 107 CYS 108 SER 109 LEU 110 LEU 111 CYS 112 ASP 113 PRO 114 ASN 115 PRO 116 ASP 117 ASP 118 PRO 119 LEU 120 VAL 121 PRO 122 GLU 123 ILE 124 ALA 125 ARG 126 ILE 127 TYR 128 LYS 129 THR 130 ASP 131 ARG 132 GLU 133 LYS 134 TYR 135 ASN 136 ARG 137 ILE 138 ALA 139 ARG 140 GLU 141 TRP 142 THR 143 GLN 144 LYS 145 TYR 146 ALA 147 MET stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UR6 "A Chain A, Nmr Based Structural Model Of TheUbch5b-Cnot4 Complex" 100.00 147 100 100 7e-85 DBJ BAD06215.1 "ubiquitin conjugating enzyme E2[Xenopus laevis]" 100.00 147 100 100 2e-85 GenBank AAA85101.1 "ubiquitin conjugating enzyme" 100.00 147 100 100 2e-85 GenBank AAA91460.1 UbcH5B 100.00 147 100 100 2e-85 GenBank AAB05772.1 "ubiquitin conjugating enzyme" 100.00 147 100 100 2e-85 GenBank AAH03923.1 "Ube2d2 protein [Mus musculus]" 100.00 147 100 100 2e-85 GenBank AAC41750.1 "ubiquitin conjugating enzyme" 100.00 147 99 100 5e-85 PIR S53359 "ubiquitin conjugating enzyme (E217kB) - rat" 100.00 147 100 100 2e-85 PIR I59365 "ubiquitin conjugating enzyme - human" 100.00 147 99 100 5e-85 PRF 2111484A "ubiquitin-conjugating enzyme" 100.00 147 99 100 5e-85 REF NP_862821.1 "ubiquitin-conjugating enzyme E2D 2isoform 2; ubiquitin carrier protein;ubiquitin-conjugating enzyme E2-17 kDa 2;ubiquitin-conjugating enzyme E2D 2 (homologous to yeastUBC4/5) [Homo sapiens]" 124.58 118 100 100 2e-67 REF NP_003330.1 "ubiquitin-conjugating enzyme E2D 2isoform 1; ubiquitin carrier protein;ubiquitin-conjugating enzyme E2-17 kDa 2;ubiquitin-conjugating enzyme E2D 2 (homologous to yeastUBC4/5) [Homo sapiens]" 100.00 147 100 100 2e-85 REF NP_064296.1 "ubiquitin-conjugating enzyme E2D 2;ubiquitin conjugating enzyme 2e [Mus musculus]" 100.00 147 100 100 2e-85 REF NP_957253.1 "similar to ubiquitin-conjugatingenzyme E2D 2 [Danio rerio]" 100.00 147 99 99 2e-84 SWISS-PROT P51669 "UB5B_HUMAN Ubiquitin-conjugating enzyme E2-17kDa 2 (Ubiquitin-protein ligase) (Ubiquitin carrierprotein) (E2(17)KB 2)" 100.00 147 100 100 2e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ubc4 human 9606 Eukaryota Metazoa Homo sapiens 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 $ubc4 '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 _Concentration_max_value _Isotopic_labeling $ubc4 . mM 1 "[U-13C; U-15N]" stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe loop_ _Task "data processing" stop_ save_ save_PIPP _Saveframe_category software _Name PIPP loop_ _Task "data analysis" "visualization" stop_ save_ save_NMRView _Saveframe_category software _Name NMRView loop_ _Task "data analysis" "visualization" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N-HSQC HNCACB CBCACONH CC-TOCSY ; save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 303 0.1 K 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 H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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_ubc4_shifts _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 ubc4 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 5 ARG N N 121.14 . . 2 5 ARG H H 7.85 . . 3 5 ARG CA C 57.65 . . 4 5 ARG CB C 28.79 . . 5 6 ILE N N 120.88 . . 6 6 ILE H H 8.21 . . 7 6 ILE CA C 66.56 . . 8 6 ILE CB C 37.91 . . 9 7 HIS N N 117.06 . . 10 7 HIS H H 8.42 . . 11 7 HIS CA C 59.82 . . 12 7 HIS CB C 29.42 . . 13 8 LYS N N 121.45 . . 14 8 LYS H H 8.02 . . 15 8 LYS CA C 59.76 . . 16 8 LYS CB C 32.40 . . 17 9 GLU N N 118.83 . . 18 9 GLU H H 8.52 . . 19 9 GLU CA C 60.53 . . 20 9 GLU CB C 29.38 . . 21 10 LEU N N 120.17 . . 22 10 LEU H H 8.46 . . 23 10 LEU CA C 57.96 . . 24 10 LEU CB C 41.35 . . 25 11 ASN N N 118.49 . . 26 11 ASN H H 8.19 . . 27 11 ASN CA C 56.14 . . 28 11 ASN CB C 38.28 . . 29 12 ASP N N 121.39 . . 30 12 ASP H H 8.73 . . 31 12 ASP CA C 57.40 . . 32 12 ASP CB C 40.28 . . 34 13 LEU H H 8.20 . . 38 14 ALA H H 7.85 . . 41 15 ARG N N 116.00 . . 42 15 ARG H H 7.55 . . 43 15 ARG CA C 57.63 . . 44 15 ARG CB C 31.07 . . 45 16 ASP N N 116.86 . . 46 16 ASP H H 7.77 . . 47 16 ASP CA C 51.74 . . 48 16 ASP CB C 41.11 . . 49 19 ALA N N 125.20 . . 50 19 ALA H H 8.50 . . 51 19 ALA CA C 53.66 . . 52 19 ALA CB C 18.37 . . 53 20 GLN N N 112.56 . . 54 20 GLN H H 8.58 . . 55 20 GLN CA C 57.43 . . 58 21 CYS H H 7.72 . . 61 22 SER N N 114.27 . . 62 22 SER H H 8.57 . . 63 22 SER CA C 57.25 . . 64 22 SER CB C 65.54 . . 65 23 ALA N N 121.58 . . 66 23 ALA H H 8.37 . . 67 23 ALA CA C 52.20 . . 69 24 GLY N N 104.16 . . 70 24 GLY H H 8.16 . . 71 24 GLY CA C 45.01 . . 72 26 VAL N N 122.40 . . 73 26 VAL H H 8.53 . . 74 26 VAL CA C 62.45 . . 75 26 VAL CB C 31.39 . . 76 27 GLY N N 116.63 . . 77 27 GLY H H 8.71 . . 78 27 GLY CA C 46.37 . . 79 28 ASP N N 122.70 . . 80 28 ASP H H 8.55 . . 81 28 ASP CA C 53.97 . . 82 28 ASP CB C 40.68 . . 83 29 ASP N N 119.62 . . 84 29 ASP H H 7.90 . . 85 29 ASP CA C 52.79 . . 86 29 ASP CB C 41.31 . . 87 30 MET N N 121.76 . . 88 30 MET H H 8.58 . . 89 30 MET CA C 55.25 . . 90 30 MET CB C 31.40 . . 91 31 PHE N N 111.82 . . 92 31 PHE H H 8.42 . . 93 31 PHE CA C 59.25 . . 94 31 PHE CB C 38.35 . . 95 32 HIS N N 120.03 . . 96 32 HIS H H 7.86 . . 97 32 HIS CA C 54.17 . . 98 32 HIS CB C 31.19 . . 99 33 TRP N N 123.70 . . 100 33 TRP H H 9.70 . . 101 33 TRP CA C 54.05 . . 102 33 TRP CB C 33.19 . . 103 34 GLN N N 119.46 . . 104 34 GLN H H 8.83 . . 105 34 GLN CA C 53.93 . . 106 34 GLN CB C 32.25 . . 107 35 ALA N N 124.68 . . 108 35 ALA H H 8.84 . . 109 35 ALA CA C 50.30 . . 112 36 THR H H 8.88 . . 115 37 ILE N N 121.89 . . 116 37 ILE H H 9.13 . . 117 37 ILE CA C 59.83 . . 118 37 ILE CB C 42.39 . . 119 38 MET N N 124.87 . . 120 38 MET H H 8.31 . . 121 38 MET CA C 53.93 . . 122 38 MET CB C 32.51 . . 123 39 GLY N N 110.20 . . 124 39 GLY H H 9.24 . . 125 39 GLY CA C 44.20 . . 126 41 ASN N N 122.65 . . 127 41 ASN H H 8.97 . . 128 41 ASN CA C 54.94 . . 129 41 ASN CB C 38.29 . . 130 42 ASP N N 116.71 . . 131 42 ASP H H 8.87 . . 132 42 ASP CA C 54.81 . . 133 42 ASP CB C 38.89 . . 134 43 SER N N 114.42 . . 135 43 SER H H 7.90 . . 136 43 SER CA C 56.87 . . 138 45 TYR N N 116.79 . . 139 45 TYR H H 7.36 . . 140 45 TYR CA C 55.61 . . 141 45 TYR CB C 38.32 . . 142 46 GLN N N 121.36 . . 143 46 GLN H H 7.28 . . 144 46 GLN CA C 57.86 . . 145 46 GLN CB C 28.73 . . 146 47 GLY N N 116.26 . . 147 47 GLY H H 9.21 . . 148 47 GLY CA C 45.06 . . 149 48 GLY N N 106.60 . . 150 48 GLY H H 8.50 . . 151 48 GLY CA C 44.71 . . 152 49 VAL N N 124.83 . . 153 49 VAL H H 8.84 . . 154 49 VAL CA C 62.29 . . 155 49 VAL CB C 32.99 . . 156 50 PHE N N 123.75 . . 157 50 PHE H H 8.74 . . 158 50 PHE CA C 56.16 . . 159 50 PHE CB C 41.33 . . 160 51 PHE N N 121.01 . . 161 51 PHE H H 9.28 . . 162 51 PHE CA C 56.77 . . 163 51 PHE CB C 40.70 . . 164 52 LEU N N 120.44 . . 165 52 LEU H H 9.15 . . 166 52 LEU CA C 54.38 . . 167 52 LEU CB C 45.89 . . 169 53 THR H H 9.26 . . 172 54 ILE N N 122.93 . . 173 54 ILE H H 8.37 . . 174 54 ILE CA C 59.77 . . 175 54 ILE CB C 41.36 . . 176 55 HIS N N 125.79 . . 177 55 HIS H H 9.08 . . 178 55 HIS CA C 53.43 . . 179 55 HIS CB C 31.79 . . 180 56 PHE N N 126.85 . . 181 56 PHE H H 9.14 . . 182 56 PHE CA C 55.96 . . 183 56 PHE CB C 39.79 . . 184 58 THR N N 111.68 . . 185 58 THR H H 8.57 . . 186 58 THR CA C 64.98 . . 187 58 THR CB C 68.30 . . 188 59 ASP N N 115.01 . . 189 59 ASP H H 8.53 . . 190 59 ASP CA C 52.23 . . 191 59 ASP CB C 38.80 . . 193 60 TYR H H 7.72 . . 196 62 PHE N N 125.05 . . 197 62 PHE H H 9.04 . . 198 62 PHE CA C 60.65 . . 199 62 PHE CB C 37.68 . . 200 63 LYS N N 118.23 . . 201 63 LYS H H 7.07 . . 202 63 LYS CA C 52.09 . . 203 63 LYS CB C 34.80 . . 204 66 LYS N N 120.38 . . 205 66 LYS H H 8.27 . . 206 66 LYS CA C 54.86 . . 208 67 VAL N N 127.47 . . 209 67 VAL H H 8.75 . . 210 67 VAL CA C 60.29 . . 211 67 VAL CB C 33.86 . . 212 68 ALA N N 127.04 . . 213 68 ALA H H 8.49 . . 214 68 ALA CA C 50.70 . . 215 68 ALA CB C 22.06 . . 216 69 PHE N N 122.18 . . 217 69 PHE H H 9.80 . . 218 69 PHE CA C 59.08 . . 219 69 PHE CB C 40.04 . . 220 70 THR N N 116.27 . . 221 70 THR H H 9.54 . . 222 70 THR CA C 62.93 . . 223 71 THR N N 121.51 . . 224 71 THR H H 7.56 . . 225 71 THR CA C 63.43 . . 226 71 THR CB C 71.16 . . 228 72 ARG H H 8.59 . . 231 73 ILE N N 120.19 . . 232 73 ILE H H 8.37 . . 233 73 ILE CA C 60.17 . . 234 73 ILE CB C 40.80 . . 235 74 TYR N N 131.71 . . 236 74 TYR H H 8.67 . . 237 74 TYR CA C 57.70 . . 238 74 TYR CB C 37.64 . . 239 75 HIS N N 129.16 . . 240 75 HIS H H 8.49 . . 241 75 HIS CA C 55.63 . . 242 75 HIS CB C 35.52 . . 243 77 ASN N N 118.33 . . 244 77 ASN H H 11.51 . . 245 77 ASN CA C 54.35 . . 246 77 ASN CB C 41.63 . . 247 78 ILE N N 120.15 . . 248 78 ILE H H 7.22 . . 249 78 ILE CA C 59.78 . . 251 79 ASN N N 121.39 . . 252 79 ASN H H 7.97 . . 253 79 ASN CA C 50.45 . . 254 79 ASN CB C 39.76 . . 255 80 SER N N 113.66 . . 256 80 SER H H 8.66 . . 257 80 SER CA C 60.78 . . 258 80 SER CB C 62.77 . . 259 81 ASN N N 118.04 . . 260 81 ASN H H 7.61 . . 261 81 ASN CA C 52.91 . . 262 81 ASN CB C 38.89 . . 263 82 GLY N N 109.69 . . 264 82 GLY H H 8.43 . . 265 82 GLY CA C 45.87 . . 266 83 SER N N 115.25 . . 267 83 SER H H 7.77 . . 268 83 SER CA C 59.02 . . 269 83 SER CB C 63.12 . . 270 84 ILE N N 119.55 . . 271 84 ILE H H 8.51 . . 272 84 ILE CA C 59.44 . . 273 84 ILE CB C 41.67 . . 274 85 CYS N N 127.48 . . 275 85 CYS H H 8.66 . . 276 85 CYS CA C 57.19 . . 277 85 CYS CB C 26.05 . . 278 86 LEU N N 126.73 . . 279 86 LEU H H 7.30 . . 280 86 LEU CA C 53.82 . . 281 86 LEU CB C 45.96 . . 282 87 ASP N N 129.14 . . 283 87 ASP H H 9.31 . . 284 87 ASP CA C 58.40 . . 285 87 ASP CB C 39.20 . . 286 88 ILE N N 116.04 . . 287 88 ILE H H 8.43 . . 288 88 ILE CA C 64.52 . . 289 88 ILE CB C 37.96 . . 290 89 LEU N N 113.35 . . 291 89 LEU H H 7.17 . . 292 89 LEU CA C 53.89 . . 293 89 LEU CB C 41.77 . . 294 90 ARG N N 120.95 . . 295 90 ARG H H 7.90 . . 296 90 ARG CA C 56.23 . . 297 90 ARG CB C 31.17 . . 299 91 SER H H 8.26 . . 302 92 GLN N N 117.42 . . 303 92 GLN H H 7.85 . . 304 92 GLN CA C 54.33 . . 305 92 GLN CB C 28.26 . . 306 93 TRP N N 120.97 . . 307 93 TRP H H 7.43 . . 308 93 TRP CA C 59.29 . . 309 93 TRP CB C 29.69 . . 310 94 SER N N 120.66 . . 311 94 SER H H 5.55 . . 312 94 SER CA C 54.41 . . 313 94 SER CB C 64.88 . . 314 96 ALA N N 118.29 . . 315 96 ALA H H 7.27 . . 316 96 ALA CA C 52.45 . . 318 97 LEU N N 119.29 . . 319 97 LEU H H 7.33 . . 320 97 LEU CA C 54.49 . . 321 97 LEU CB C 42.12 . . 322 98 THR N N 101.45 . . 323 98 THR H H 6.10 . . 324 98 THR CA C 57.92 . . 325 98 THR CB C 72.86 . . 326 99 ILE N N 122.34 . . 327 99 ILE H H 10.38 . . 328 99 ILE CA C 60.82 . . 329 99 ILE CB C 35.69 . . 330 100 SER N N 116.57 . . 331 100 SER H H 8.53 . . 332 100 SER CA C 62.55 . . 333 101 LYS N N 119.39 . . 334 101 LYS H H 7.53 . . 335 101 LYS CA C 58.80 . . 337 102 VAL N N 121.76 . . 338 102 VAL H H 8.42 . . 339 102 VAL CA C 67.07 . . 340 102 VAL CB C 31.61 . . 341 103 LEU N N 118.97 . . 342 103 LEU H H 8.70 . . 343 103 LEU CA C 58.36 . . 344 103 LEU CB C 40.72 . . 345 104 LEU N N 119.43 . . 346 104 LEU H H 8.36 . . 347 104 LEU CA C 58.36 . . 348 104 LEU CB C 41.62 . . 349 105 SER N N 117.25 . . 350 105 SER H H 8.26 . . 351 105 SER CA C 62.81 . . 352 106 ILE N N 124.17 . . 353 106 ILE H H 8.36 . . 354 106 ILE CA C 65.76 . . 355 106 ILE CB C 37.52 . . 356 107 CYS N N 118.58 . . 357 107 CYS H H 8.26 . . 358 107 CYS CA C 65.30 . . 359 107 CYS CB C 26.19 . . 360 108 SER N N 114.01 . . 361 108 SER H H 8.14 . . 362 108 SER CA C 56.61 . . 363 108 SER CB C 63.17 . . 365 109 LEU H H 7.85 . . 368 110 LEU N N 118.74 . . 369 110 LEU H H 7.97 . . 370 110 LEU CA C 58.55 . . 371 110 LEU CB C 40.69 . . 373 111 CYS H H 7.24 . . 376 112 ASP N N 118.68 . . 377 112 ASP H H 8.17 . . 378 112 ASP CA C 51.99 . . 379 112 ASP CB C 41.88 . . 381 114 ASN H H 8.63 . . 384 116 ASP N N 117.87 . . 385 116 ASP H H 7.71 . . 386 116 ASP CA C 55.17 . . 387 116 ASP CB C 40.44 . . 389 117 ASP H H 6.70 . . 392 119 LEU N N 117.73 . . 393 119 LEU H H 8.65 . . 394 119 LEU CA C 55.11 . . 396 120 VAL N N 117.82 . . 397 120 VAL H H 7.45 . . 398 120 VAL CA C 58.82 . . 399 120 VAL CB C 31.67 . . 400 122 GLU N N 117.94 . . 401 122 GLU H H 9.58 . . 402 122 GLU CA C 59.67 . . 403 122 GLU CB C 29.12 . . 404 123 ILE N N 117.08 . . 405 123 ILE H H 6.85 . . 406 123 ILE CA C 64.93 . . 407 124 ALA N N 121.45 . . 408 124 ALA H H 7.58 . . 409 124 ALA CA C 55.57 . . 410 124 ALA CB C 18.42 . . 411 125 ARG N N 116.36 . . 412 125 ARG H H 8.08 . . 413 125 ARG CA C 59.60 . . 414 125 ARG CB C 29.66 . . 415 126 ILE N N 121.74 . . 416 126 ILE H H 8.30 . . 417 126 ILE CA C 65.16 . . 418 126 ILE CB C 37.65 . . 419 127 TYR N N 119.06 . . 420 127 TYR H H 8.60 . . 421 127 TYR CA C 63.20 . . 422 127 TYR CB C 38.28 . . 423 128 LYS N N 112.59 . . 424 128 LYS H H 7.87 . . 425 128 LYS CA C 59.03 . . 427 129 THR N N 108.49 . . 428 129 THR H H 7.89 . . 429 129 THR CA C 63.16 . . 430 129 THR CB C 71.11 . . 431 130 ASP N N 125.41 . . 432 130 ASP H H 9.03 . . 433 130 ASP CA C 52.62 . . 434 130 ASP CB C 40.27 . . 435 131 ARG N N 124.95 . . 436 131 ARG H H 8.62 . . 437 131 ARG CA C 57.49 . . 438 131 ARG CB C 28.89 . . 439 132 GLU N N 116.10 . . 440 132 GLU H H 8.42 . . 441 132 GLU CA C 59.37 . . 442 133 LYS N N 122.77 . . 443 133 LYS H H 7.56 . . 444 133 LYS CA C 59.65 . . 445 133 LYS CB C 32.23 . . 446 134 TYR N N 118.33 . . 447 134 TYR H H 8.14 . . 448 134 TYR CA C 61.87 . . 449 134 TYR CB C 37.88 . . 450 135 ASN N N 117.05 . . 451 135 ASN H H 8.75 . . 452 135 ASN CA C 55.66 . . 453 135 ASN CB C 37.70 . . 454 136 ARG N N 120.15 . . 455 136 ARG H H 7.94 . . 456 136 ARG CA C 59.81 . . 457 136 ARG CB C 29.91 . . 458 137 ILE N N 122.20 . . 459 137 ILE H H 7.68 . . 460 137 ILE CA C 65.16 . . 461 137 ILE CB C 37.56 . . 462 138 ALA N N 121.08 . . 463 138 ALA H H 8.56 . . 465 138 ALA CB C 17.34 . . 466 139 ARG N N 120.70 . . 467 139 ARG H H 8.30 . . 468 139 ARG CA C 59.65 . . 469 139 ARG CB C 30.10 . . 470 140 GLU N N 123.22 . . 471 140 GLU H H 8.41 . . 472 140 GLU CA C 59.73 . . 473 140 GLU CB C 29.11 . . 474 141 TRP N N 119.88 . . 475 141 TRP H H 9.61 . . 476 141 TRP CA C 61.41 . . 477 141 TRP CB C 28.92 . . 478 142 THR N N 124.57 . . 479 142 THR H H 8.58 . . 480 142 THR CB C 67.91 . . 481 143 GLN N N 119.46 . . 482 143 GLN H H 8.14 . . 483 143 GLN CA C 58.24 . . 484 143 GLN CB C 28.32 . . 486 144 LYS H H 7.96 . . 490 145 TYR H H 8.06 . . 494 146 ALA H H 8.25 . . 498 147 MET H H 7.24 . . stop_ save_