data_4287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments of the Unstructured Yeast Target Membrane SNARE Sso1. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fiebig Klaus M. . 2 Brunger Axel T. . stop_ _BMRB_accession_number 4287 _BMRB_flat_file_name bmr4287.str _Entry_type new _Submission_date 1998-12-18 _Accession_date 1998-12-18 _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' 366 '15N chemical shifts' 76 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Fiebig, K. M., Rice, L. M., Pollock, E., and Brunger, A. T., "Folding Intermediates of SNARE Complex Assembly," Nat. Struct. Biol. 6, 117-123 (1999). ; _Citation_title ; Folding Intermediates of SNARE Complex Assembly ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 99140290 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fiebig Klaus M. . 2 Rice Luke M. . 3 Pollock Elizabeth . . 4 Brunger Axel T. . stop_ _Journal_abbreviation "Nat. Struct. Biol." _Journal_name_full "Nature Structural Biology" _Journal_volume 6 _Journal_issue 2 _Page_first 117 _Page_last 123 _Year 1999 loop_ _Keyword 'membrane fusion' 'cellular trafficking' 'yeast SNARE' Sso1 Snc1 Sec9 'alpha-helix bundle' 'coiled coil' 'H1-H2 domain' stop_ save_ ################################## # Molecular system description # ################################## save_Sso1p _Saveframe_category molecular_system _Mol_system_name Sso1 _Abbreviation_common Sso1p loop_ _Mol_system_component_name _Mol_label Sso1 $Sso1 stop_ _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function "Membrane fusion protein" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1FIO "A Chain A, Crystal Structure Of Yeast T-Snare Protein Sso1" . stop_ save_ ######################## # Monomeric polymers # ######################## save_Sso1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sso1 _Abbreviation_common Sso1 ############################## # Polymer residue sequence # ############################## _Residue_count 268 _Mol_residue_sequence ; GSHMSYNNPYQLETPFEESY ELDEGSSAIGAEGHDFVGFM NKISQINRDLDKYDHTINQV DSLHKRLLTEVNEEQASHLR HSLDNFVAQATDLQFKLKNE IKSAQRDGIHDTNKQAQAEN SRQRFLKLIQDYRIVDSNYK EENKEQAKRQYMIIQPEATE DEVEAAISDVGGQQIFSQAL LNANRRGEAKTALAEVQARH QELLKLEKSMAELTQLFNDM EELVIEQQENVDVIDKNVED AQLDVEQGVGHTDKAVKSAR KARKNKIR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 SER 6 3 TYR 7 4 ASN 8 5 ASN 9 6 PRO 10 7 TYR 11 8 GLN 12 9 LEU 13 10 GLU 14 11 THR 15 12 PRO 16 13 PHE 17 14 GLU 18 15 GLU 19 16 SER 20 17 TYR 21 18 GLU 22 19 LEU 23 20 ASP 24 21 GLU 25 22 GLY 26 23 SER 27 24 SER 28 25 ALA 29 26 ILE 30 27 GLY 31 28 ALA 32 29 GLU 33 30 GLY 34 31 HIS 35 32 ASP 36 33 PHE 37 34 VAL 38 35 GLY 39 36 PHE 40 37 MET 41 38 ASN 42 39 LYS 43 40 ILE 44 41 SER 45 42 GLN 46 43 ILE 47 44 ASN 48 45 ARG 49 46 ASP 50 47 LEU 51 48 ASP 52 49 LYS 53 50 TYR 54 51 ASP 55 52 HIS 56 53 THR 57 54 ILE 58 55 ASN 59 56 GLN 60 57 VAL 61 58 ASP 62 59 SER 63 60 LEU 64 61 HIS 65 62 LYS 66 63 ARG 67 64 LEU 68 65 LEU 69 66 THR 70 67 GLU 71 68 VAL 72 69 ASN 73 70 GLU 74 71 GLU 75 72 GLN 76 73 ALA 77 74 SER 78 75 HIS 79 76 LEU 80 77 ARG 81 78 HIS 82 79 SER 83 80 LEU 84 81 ASP 85 82 ASN 86 83 PHE 87 84 VAL 88 85 ALA 89 86 GLN 90 87 ALA 91 88 THR 92 89 ASP 93 90 LEU 94 91 GLN 95 92 PHE 96 93 LYS 97 94 LEU 98 95 LYS 99 96 ASN 100 97 GLU 101 98 ILE 102 99 LYS 103 100 SER 104 101 ALA 105 102 GLN 106 103 ARG 107 104 ASP 108 105 GLY 109 106 ILE 110 107 HIS 111 108 ASP 112 109 THR 113 110 ASN 114 111 LYS 115 112 GLN 116 113 ALA 117 114 GLN 118 115 ALA 119 116 GLU 120 117 ASN 121 118 SER 122 119 ARG 123 120 GLN 124 121 ARG 125 122 PHE 126 123 LEU 127 124 LYS 128 125 LEU 129 126 ILE 130 127 GLN 131 128 ASP 132 129 TYR 133 130 ARG 134 131 ILE 135 132 VAL 136 133 ASP 137 134 SER 138 135 ASN 139 136 TYR 140 137 LYS 141 138 GLU 142 139 GLU 143 140 ASN 144 141 LYS 145 142 GLU 146 143 GLN 147 144 ALA 148 145 LYS 149 146 ARG 150 147 GLN 151 148 TYR 152 149 MET 153 150 ILE 154 151 ILE 155 152 GLN 156 153 PRO 157 154 GLU 158 155 ALA 159 156 THR 160 157 GLU 161 158 ASP 162 159 GLU 163 160 VAL 164 161 GLU 165 162 ALA 166 163 ALA 167 164 ILE 168 165 SER 169 166 ASP 170 167 VAL 171 168 GLY 172 169 GLY 173 170 GLN 174 171 GLN 175 172 ILE 176 173 PHE 177 174 SER 178 175 GLN 179 176 ALA 180 177 LEU 181 178 LEU 182 179 ASN 183 180 ALA 184 181 ASN 185 182 ARG 186 183 ARG 187 184 GLY 188 185 GLU 189 186 ALA 190 187 LYS 191 188 THR 192 189 ALA 193 190 LEU 194 191 ALA 195 192 GLU 196 193 VAL 197 194 GLN 198 195 ALA 199 196 ARG 200 197 HIS 201 198 GLN 202 199 GLU 203 200 LEU 204 201 LEU 205 202 LYS 206 203 LEU 207 204 GLU 208 205 LYS 209 206 SER 210 207 MET 211 208 ALA 212 209 GLU 213 210 LEU 214 211 THR 215 212 GLN 216 213 LEU 217 214 PHE 218 215 ASN 219 216 ASP 220 217 MET 221 218 GLU 222 219 GLU 223 220 LEU 224 221 VAL 225 222 ILE 226 223 GLU 227 224 GLN 228 225 GLN 229 226 GLU 230 227 ASN 231 228 VAL 232 229 ASP 233 230 VAL 234 231 ILE 235 232 ASP 236 233 LYS 237 234 ASN 238 235 VAL 239 236 GLU 240 237 ASP 241 238 ALA 242 239 GLN 243 240 LEU 244 241 ASP 245 242 VAL 246 243 GLU 247 244 GLN 248 245 GLY 249 246 VAL 250 247 GLY 251 248 HIS 252 249 THR 253 250 ASP 254 251 LYS 255 252 ALA 256 253 VAL 257 254 LYS 258 255 SER 259 256 ALA 260 257 ARG 261 258 LYS 262 259 ALA 263 260 ARG 264 261 LYS 265 262 ASN 266 263 LYS 267 264 ILE 268 265 ARG stop_ _Sequence_homology_query_date 2008-09-24 _Sequence_homology_query_revised_last_date 2008-09-24 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 1FIO "Crystal Structure Of Yeast T-Snare Protein Sso1" 72.76 196 100.00 100.00 3.72e-108 EMBL CAA47959 "Sso1 protein [Saccharomyces cerevisiae]" 98.88 290 100.00 100.00 6.16e-152 EMBL CAA54217 "orf2 [Saccharomyces cerevisiae]" 98.88 290 100.00 100.00 6.16e-152 EMBL CAA64255 "syntaxin-related protein [Saccharomyces cerevisiae]" 98.88 290 100.00 100.00 6.16e-152 EMBL CAA97949 "SSO1 [Saccharomyces cerevisiae]" 98.88 290 100.00 100.00 6.16e-152 GenBank EDN60915 "t-SNARE [Saccharomyces cerevisiae YJM789]" 98.88 290 99.62 100.00 2.36e-151 GenBank EDV10997 "protein SSO1 [Saccharomyces cerevisiae RM11-1a]" 98.88 290 99.62 100.00 2.36e-151 REF NP_015092 "Plasma membrane t-SNARE involved in fusion of secretory vesicles at the plasma membrane and in vesicle fusion during sporulation; forms a complex with Sec9p that binds v-SNARE Snc2p; syntaxin homolog; functionally redundant with Sso2p; Sso1p [Saccharomyces cerevisiae]" 98.88 290 100.00 100.00 6.16e-152 SWISS-PROT P32867 "Protein SSO1" 98.88 290 100.00 100.00 6.16e-152 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sso1 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Sso1 'recombinant technology' "E. coli" Escherichia coli DH5-alpha plasmid . 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 $Sso1 1.2 mM 0.5 1.5 "[U-99% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 95 loop_ _Task transformation stop_ save_ save_software_two _Saveframe_category software _Name XEasy _Version 1.3.11 loop_ _Task Assignment stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Details ; 1H-15N-HSQC 1H-15N-NOESY-HSQC 1H-15N-TOCSY-HSQC ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.2 n/a temperature 288 1 K ionic_strength 220 . n/a 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 . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. Tyr HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons or Trp HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Sso1 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 2 SER N N 115.987 0.05 1 2 2 SER H H 8.765 0.02 1 3 2 SER HA H 4.878 0.02 1 4 2 SER HB2 H 4.007 0.02 1 5 2 SER HB3 H 4.007 0.02 1 6 3 HIS N N 120.844 0.05 1 7 3 HIS H H 8.807 0.02 1 8 3 HIS HA H 4.619 0.02 1 9 3 HIS HB2 H 3.325 0.02 2 10 3 HIS HB3 H 3.405 0.02 2 11 4 MET N N 122.232 0.05 1 12 4 MET H H 8.548 0.02 1 13 4 MET HA H 4.605 0.02 1 14 4 MET HB2 H 2.066 0.02 1 15 4 MET HB3 H 2.066 0.02 1 16 4 MET HG2 H 2.597 0.02 1 17 4 MET HG3 H 2.597 0.02 1 18 5 SER N N 117.597 0.05 1 19 5 SER H H 8.444 0.02 1 20 5 SER HA H 4.593 0.02 1 21 5 SER HB2 H 3.949 0.02 1 22 5 SER HB3 H 3.949 0.02 1 23 6 TYR N N 122.309 0.05 1 24 6 TYR H H 8.327 0.02 1 25 6 TYR HA H 4.719 0.02 1 26 6 TYR HB2 H 3.052 0.02 2 27 6 TYR HB3 H 3.190 0.02 2 28 6 TYR HD1 H 7.220 0.02 1 29 6 TYR HD2 H 7.220 0.02 1 30 7 ASN N N 120.416 0.05 1 31 7 ASN H H 8.416 0.02 1 32 7 ASN HA H 4.707 0.02 1 33 7 ASN HB2 H 2.824 0.02 1 34 7 ASN HB3 H 2.824 0.02 1 35 8 ASN N N 121.081 0.05 1 36 8 ASN H H 8.273 0.02 1 37 8 ASN HA H 4.694 0.02 1 38 8 ASN HB2 H 2.812 0.02 1 39 8 ASN HB3 H 2.812 0.02 1 40 10 TYR N N 118.872 0.05 1 41 10 TYR H H 8.102 0.02 1 42 10 TYR HA H 4.669 0.02 1 43 10 TYR HB2 H 3.052 0.02 2 44 10 TYR HB3 H 3.254 0.02 2 45 10 TYR HD1 H 7.246 0.02 1 46 10 TYR HD2 H 7.246 0.02 1 47 11 GLN N N 121.057 0.05 1 48 11 GLN H H 7.989 0.02 1 49 11 GLN HA H 4.403 0.02 1 50 11 GLN HB2 H 2.066 0.02 2 51 11 GLN HB3 H 2.168 0.02 2 52 11 GLN HG2 H 2.407 0.02 1 53 11 GLN HG3 H 2.407 0.02 1 54 12 LEU N N 123.336 0.05 1 55 12 LEU H H 8.257 0.02 1 56 12 LEU HA H 4.416 0.02 1 57 12 LEU HB2 H 1.738 0.02 1 58 12 LEU HB3 H 1.738 0.02 1 59 12 LEU HD1 H 1.005 0.02 1 60 12 LEU HD2 H 1.005 0.02 1 61 13 GLU N N 121.470 0.05 1 62 13 GLU H H 8.475 0.02 1 63 13 GLU HA H 4.492 0.02 1 64 13 GLU HB2 H 2.079 0.02 2 65 13 GLU HB3 H 2.193 0.02 2 66 13 GLU HG2 H 2.471 0.02 1 67 13 GLU HG3 H 2.471 0.02 1 68 14 THR N N 117.201 0.05 1 69 14 THR H H 8.262 0.02 1 70 14 THR HA H 4.707 0.02 1 71 14 THR HB H 4.290 0.02 1 72 14 THR HG2 H 1.346 0.02 2 73 16 PHE N N 120.368 0.05 1 74 16 PHE H H 8.286 0.02 1 75 16 PHE HA H 4.681 0.02 1 76 16 PHE HB2 H 3.203 0.02 1 77 16 PHE HB3 H 3.203 0.02 1 78 16 PHE HD1 H 7.347 0.02 1 79 16 PHE HD2 H 7.347 0.02 1 80 17 GLU N N 122.266 0.05 1 81 17 GLU H H 8.271 0.02 1 82 17 GLU HA H 4.365 0.02 1 83 17 GLU HB2 H 2.028 0.02 2 84 17 GLU HB3 H 2.142 0.02 2 85 17 GLU HG2 H 2.420 0.02 1 86 17 GLU HG3 H 2.420 0.02 1 87 18 GLU N N 121.639 0.05 1 88 18 GLU H H 8.374 0.02 1 89 18 GLU HA H 4.378 0.02 1 90 18 GLU HB2 H 2.053 0.02 2 91 18 GLU HB3 H 2.117 0.02 2 92 18 GLU HG2 H 2.433 0.02 1 93 18 GLU HG3 H 2.433 0.02 1 94 19 SER N N 116.501 0.05 1 95 19 SER H H 8.347 0.02 1 96 19 SER HA H 4.504 0.02 1 97 19 SER HB2 H 3.936 0.02 1 98 19 SER HB3 H 3.936 0.02 1 99 20 TYR N N 122.107 0.05 1 100 20 TYR H H 8.178 0.02 1 101 20 TYR HA H 4.694 0.02 1 102 20 TYR HB2 H 3.065 0.02 2 103 20 TYR HB3 H 3.191 0.02 2 104 20 TYR HD1 H 7.195 0.02 1 105 20 TYR HD2 H 7.195 0.02 1 106 21 GLU N N 121.617 0.05 1 107 21 GLU H H 8.285 0.02 1 108 21 GLU HA H 4.403 0.02 1 109 21 GLU HB2 H 2.041 0.02 2 110 21 GLU HB3 H 2.143 0.02 2 111 21 GLU HG2 H 2.420 0.02 1 112 21 GLU HG3 H 2.420 0.02 1 113 22 LEU N N 122.884 0.05 1 114 22 LEU H H 8.205 0.02 1 115 22 LEU HA H 4.429 0.02 1 116 22 LEU HB2 H 1.725 0.02 1 117 22 LEU HB3 H 1.725 0.02 1 118 22 LEU HD1 H 1.018 0.02 1 119 22 LEU HD2 H 1.018 0.02 1 120 23 ASP N N 121.060 0.05 1 121 23 ASP H H 8.412 0.02 1 122 23 ASP HA H 4.757 0.02 1 123 23 ASP HB2 H 2.799 0.02 2 124 23 ASP HB3 H 2.913 0.02 2 125 24 GLU N N 121.652 0.05 1 126 24 GLU H H 8.504 0.02 1 127 24 GLU HA H 4.429 0.02 1 128 24 GLU HB2 H 2.105 0.02 2 129 24 GLU HB3 H 2.243 0.02 2 130 24 GLU HG2 H 2.483 0.02 1 131 24 GLU HG3 H 2.483 0.02 1 132 25 GLY N N 109.590 0.05 1 133 25 GLY H H 8.564 0.02 1 134 25 GLY HA2 H 4.113 0.02 1 135 25 GLY HA3 H 4.113 0.02 1 136 26 SER N N 115.809 0.05 1 137 26 SER H H 8.268 0.02 1 138 26 SER HA H 4.618 0.02 1 139 26 SER HB2 H 4.037 0.02 1 140 26 SER HB3 H 4.037 0.02 1 141 27 SER N N 117.910 0.05 1 142 27 SER H H 8.447 0.02 1 143 27 SER HA H 4.605 0.02 1 144 27 SER HB2 H 4.050 0.02 1 145 27 SER HB3 H 4.050 0.02 1 146 28 ALA N N 126.003 0.05 1 147 28 ALA H H 8.337 0.02 1 148 28 ALA HA H 4.479 0.02 1 149 28 ALA HB H 1.511 0.02 1 150 29 ILE N N 119.668 0.05 1 151 29 ILE H H 8.101 0.02 1 152 29 ILE HA H 4.239 0.02 1 153 29 ILE HB H 1.991 0.02 1 154 29 ILE HG2 H 1.334 0.02 1 155 29 ILE HG12 H 1.612 0.02 1 156 29 ILE HG13 H 1.612 0.02 1 157 29 ILE HD1 H 1.031 0.02 1 158 30 GLY N N 112.870 0.05 1 159 30 GLY H H 8.513 0.02 1 160 30 GLY HA2 H 4.075 0.02 1 161 30 GLY HA3 H 4.075 0.02 1 162 31 ALA N N 123.981 0.05 1 163 31 ALA H H 8.225 0.02 1 164 31 ALA HA H 4.429 0.02 1 165 31 ALA HB H 1.511 0.02 1 166 32 GLU N N 119.577 0.05 1 167 32 GLU H H 8.546 0.02 1 168 32 GLU HA H 4.416 0.02 1 169 32 GLU HB2 H 2.079 0.02 2 170 32 GLU HB3 H 2.193 0.02 2 171 32 GLU HG2 H 2.445 0.02 1 172 32 GLU HG3 H 2.445 0.02 1 173 33 GLY N N 109.448 0.05 1 174 33 GLY H H 8.494 0.02 1 175 33 GLY HA2 H 4.088 0.02 1 176 33 GLY HA3 H 4.088 0.02 1 177 34 HIS N N 118.362 0.05 1 178 34 HIS H H 8.553 0.02 1 179 34 HIS HA H 4.820 0.02 1 180 34 HIS HB2 H 3.380 0.02 1 181 34 HIS HB3 H 3.380 0.02 1 182 35 ASP N N 120.736 0.05 1 183 35 ASP H H 8.632 0.02 1 184 35 ASP HA H 4.858 0.02 1 185 35 ASP HB2 H 2.862 0.02 1 186 35 ASP HB3 H 2.862 0.02 1 187 36 PHE N N 121.060 0.05 1 188 36 PHE H H 8.316 0.02 1 189 36 PHE HA H 4.719 0.02 1 190 36 PHE HB2 H 3.191 0.02 1 191 36 PHE HB3 H 3.191 0.02 1 192 36 PHE HD1 H 7.334 0.02 1 193 36 PHE HD2 H 7.334 0.02 1 194 37 VAL N N 122.804 0.05 1 195 37 VAL H H 8.385 0.02 1 196 37 VAL HA H 4.317 0.00 1 197 37 VAL HB H 1.864 0.02 1 198 38 GLY N N 110.500 0.05 1 199 38 GLY H H 8.522 0.02 1 200 38 GLY HA2 H 4.024 0.02 1 201 38 GLY HA3 H 4.024 0.02 1 202 39 PHE N N 124.583 0.05 1 203 39 PHE H H 7.709 0.02 1 204 39 PHE HA H 4.530 0.02 1 205 39 PHE HB2 H 3.039 0.02 2 206 39 PHE HB3 H 3.203 0.02 2 207 229 GLU N N 122.047 0.05 1 208 229 GLU H H 8.601 0.02 1 209 229 GLU HA H 4.467 0.02 1 210 229 GLU HB2 H 2.116 0.02 2 211 229 GLU HB3 H 2.218 0.02 2 212 229 GLU HG2 H 2.483 0.02 1 213 229 GLU HG3 H 2.483 0.02 1 214 230 ASN N N 120.248 0.05 1 215 230 ASN H H 8.635 0.02 1 216 230 ASN HA H 4.871 0.02 1 217 230 ASN HB2 H 2.900 0.02 2 218 230 ASN HB3 H 2.964 0.02 2 219 231 VAL N N 119.890 0.05 1 220 231 VAL H H 8.175 0.02 1 221 231 VAL HA H 4.277 0.02 1 222 231 VAL HB H 2.243 0.02 1 223 231 VAL HG1 H 1.056 0.02 1 224 231 VAL HG2 H 1.056 0.02 1 225 232 ASP N N 123.545 0.05 1 226 232 ASP H H 8.514 0.02 1 227 232 ASP HA H 4.820 0.02 1 228 232 ASP HB2 H 2.773 0.02 2 229 232 ASP HB3 H 2.875 0.02 2 230 233 VAL N N 120.393 0.05 1 231 233 VAL H H 8.133 0.02 1 232 233 VAL HA H 4.252 0.02 1 233 233 VAL HB H 2.231 0.02 1 234 233 VAL HG1 H 1.056 0.02 1 235 233 VAL HG2 H 1.056 0.02 1 236 234 ILE N N 124.329 0.05 1 237 234 ILE H H 8.228 0.02 1 238 234 ILE HA H 4.252 0.02 1 239 234 ILE HB H 1.991 0.02 1 240 234 ILE HG2 H 1.321 0.02 1 241 234 ILE HG12 H 1.599 0.02 1 242 234 ILE HG13 H 1.599 0.02 1 243 234 ILE HD1 H 1.031 0.02 1 244 235 ASP N N 124.290 0.05 1 245 235 ASP H H 8.467 0.02 1 246 235 ASP HA H 4.770 0.02 1 247 235 ASP HB2 H 2.774 0.02 2 248 235 ASP HB3 H 2.926 0.02 2 249 236 LYS N N 122.605 0.05 1 250 236 LYS H H 8.372 0.02 1 251 236 LYS HA H 4.403 0.02 1 252 236 LYS HB2 H 1.876 0.02 2 253 236 LYS HB3 H 1.978 0.02 2 254 236 LYS HG2 H 1.561 0.02 1 255 236 LYS HG3 H 1.561 0.02 1 256 237 ASN N N 119.766 0.05 1 257 237 ASN H H 8.608 0.02 1 258 237 ASN HA H 4.846 0.02 1 259 237 ASN HB2 H 2.951 0.02 1 260 237 ASN HB3 H 2.951 0.02 1 261 238 VAL N N 120.307 0.05 1 262 238 VAL H H 8.103 0.02 1 263 238 VAL HA H 4.239 0.02 1 264 238 VAL HB H 2.256 0.02 1 265 238 VAL HG1 H 1.081 0.02 1 266 238 VAL HG2 H 1.081 0.02 1 267 239 GLU N N 123.499 0.05 1 268 239 GLU H H 8.490 0.02 1 269 239 GLU HA H 4.429 0.02 1 270 239 GLU HB2 H 2.104 0.02 2 271 239 GLU HB3 H 2.230 0.02 2 272 239 GLU HG2 H 2.483 0.02 1 273 239 GLU HG3 H 2.483 0.02 1 274 240 ASP N N 121.226 0.05 1 275 240 ASP H H 8.421 0.02 1 276 240 ASP HA H 4.719 0.02 1 277 240 ASP HB2 H 2.811 0.02 2 278 240 ASP HB3 H 2.913 0.02 2 279 241 ALA N N 124.415 0.05 1 280 241 ALA H H 8.274 0.02 1 281 241 ALA HA H 4.403 0.02 1 282 241 ALA HB H 1.536 0.02 1 283 242 GLN N N 118.769 0.05 1 284 242 GLN H H 8.379 0.02 1 285 242 GLN HA H 4.403 0.02 1 286 242 GLN HB2 H 2.155 0.02 2 287 242 GLN HB3 H 2.243 0.02 2 288 242 GLN HG2 H 2.509 0.02 1 289 242 GLN HG3 H 2.509 0.02 1 290 243 LEU N N 122.618 0.05 1 291 243 LEU H H 8.187 0.02 1 292 243 LEU HA H 4.416 0.02 1 293 243 LEU HB2 H 1.751 0.02 1 294 243 LEU HB3 H 1.751 0.02 1 295 243 LEU HD1 H 1.018 0.02 1 296 243 LEU HD2 H 1.018 0.02 1 297 244 ASP N N 120.933 0.05 1 298 244 ASP H H 8.411 0.02 1 299 244 ASP HA H 4.782 0.02 1 300 244 ASP HB2 H 2.812 0.02 2 301 244 ASP HB3 H 2.926 0.02 2 302 245 VAL N N 119.837 0.05 1 303 245 VAL H H 8.075 0.02 1 304 245 VAL HA H 4.239 0.02 1 305 245 VAL HB H 2.243 0.02 1 306 245 VAL HG1 H 1.068 0.02 1 307 245 VAL HG2 H 1.068 0.02 1 308 246 GLU N N 120.935 0.05 1 309 246 GLU H H 8.440 0.02 1 310 246 GLU HA H 4.429 0.02 1 311 246 GLU HB2 H 2.117 0.02 2 312 246 GLU HB3 H 2.243 0.02 2 313 246 GLU HG2 H 2.509 0.02 1 314 246 GLU HG3 H 2.509 0.02 1 315 247 GLN N N 122.571 0.05 1 316 247 GLN H H 8.403 0.02 1 317 247 GLN HA H 4.555 0.02 1 318 247 GLN HB2 H 2.130 0.02 2 319 247 GLN HB3 H 2.268 0.02 2 320 247 GLN HG2 H 2.496 0.02 1 321 247 GLN HG3 H 2.496 0.02 1 322 248 GLY N N 109.971 0.05 1 323 248 GLY H H 8.496 0.02 1 324 248 GLY HA2 H 4.125 0.02 1 325 248 GLY HA3 H 4.125 0.02 1 326 249 VAL N N 119.126 0.05 1 327 249 VAL H H 8.105 0.02 1 328 249 VAL HA H 4.264 0.02 1 329 249 VAL HB H 2.243 0.02 1 330 249 VAL HG1 H 1.056 0.02 1 331 249 VAL HG2 H 1.056 0.02 1 332 250 GLY N N 112.175 0.05 1 333 250 GLY H H 8.618 0.02 1 334 250 GLY HA2 H 4.075 0.02 1 335 250 GLY HA3 H 4.075 0.02 1 336 251 HIS N N 118.468 0.05 1 337 251 HIS H H 8.494 0.02 1 338 251 HIS HA H 4.896 0.02 1 339 251 HIS HB2 H 3.317 0.02 2 340 251 HIS HB3 H 3.443 0.02 2 341 252 THR N N 115.710 0.05 1 342 252 THR H H 8.354 0.02 1 343 252 THR HA H 4.517 0.02 1 344 252 THR HB H 4.365 0.02 1 345 252 THR HG2 H 1.334 0.02 2 346 253 ASP N N 123.286 0.05 1 347 253 ASP H H 8.614 0.02 1 348 253 ASP HA H 4.770 0.02 1 349 253 ASP HB2 H 2.837 0.02 1 350 253 ASP HB3 H 2.837 0.02 1 351 254 LYS N N 122.034 0.05 1 352 254 LYS H H 8.377 0.02 1 353 254 LYS HA H 4.403 0.02 1 354 254 LYS HB2 H 1.889 0.02 2 355 254 LYS HB3 H 1.991 0.02 2 356 254 LYS HG2 H 1.574 0.02 1 357 254 LYS HG3 H 1.574 0.02 1 358 255 ALA N N 124.827 0.05 1 359 255 ALA H H 8.366 0.02 1 360 255 ALA HA H 4.429 0.02 1 361 255 ALA HB H 1.523 0.02 1 362 256 VAL N N 119.848 0.05 1 363 256 VAL H H 8.130 0.02 1 364 256 VAL HA H 4.214 0.02 1 365 256 VAL HB H 2.218 0.02 1 366 256 VAL HG1 H 1.081 0.02 1 367 256 VAL HG2 H 1.081 0.02 1 368 257 LYS N N 125.148 0.05 1 369 257 LYS H H 8.485 0.02 1 370 257 LYS HA H 4.467 0.02 1 371 257 LYS HB2 H 1.940 0.02 1 372 257 LYS HB3 H 1.940 0.02 1 373 257 LYS HG2 H 1.574 0.02 1 374 257 LYS HG3 H 1.574 0.02 1 375 258 SER N N 116.969 0.05 1 376 258 SER H H 8.348 0.02 1 377 258 SER HA H 4.883 0.02 1 378 258 SER HB2 H 4.012 0.02 1 379 258 SER HB3 H 4.012 0.02 1 380 259 ALA N N 126.552 0.05 1 381 259 ALA H H 8.438 0.02 1 382 259 ALA HA H 4.542 0.02 1 383 259 ALA HB H 1.548 0.02 1 384 260 ARG N N 120.568 0.05 1 385 260 ARG H H 8.349 0.02 1 386 260 ARG HA H 4.467 0.02 1 387 260 ARG HB2 H 1.927 0.02 1 388 260 ARG HB3 H 1.927 0.02 1 389 260 ARG HG2 H 1.801 0.02 1 390 260 ARG HG3 H 1.801 0.02 1 391 261 LYS N N 123.057 0.05 1 392 261 LYS H H 8.398 0.02 1 393 261 LYS HA H 4.416 0.02 1 394 261 LYS HB2 H 1.876 0.02 2 395 261 LYS HB3 H 1.940 0.02 2 396 261 LYS HG2 H 1.586 0.02 1 397 261 LYS HG3 H 1.586 0.02 1 398 262 ALA N N 125.682 0.05 1 399 262 ALA H H 8.385 0.02 1 400 262 ALA HA H 4.429 0.02 1 401 262 ALA HB H 1.523 0.02 1 402 263 ARG N N 121.384 0.05 1 403 263 ARG H H 8.420 0.02 1 404 263 ARG HA H 4.441 0.02 1 405 263 ARG HB2 H 1.940 0.02 1 406 263 ARG HB3 H 1.940 0.02 1 407 263 ARG HG2 H 1.788 0.02 1 408 263 ARG HG3 H 1.788 0.02 1 409 264 LYS N N 123.072 0.05 1 410 264 LYS H H 8.498 0.02 1 411 264 LYS HA H 4.467 0.02 1 412 264 LYS HB2 H 1.889 0.02 2 413 264 LYS HB3 H 1.965 0.02 2 414 264 LYS HG2 H 1.561 0.02 1 415 264 LYS HG3 H 1.561 0.02 1 416 265 ASN N N 120.446 0.05 1 417 265 ASN H H 8.555 0.02 1 418 265 ASN HA H 4.833 0.02 1 419 265 ASN HB2 H 2.900 0.02 1 420 265 ASN HB3 H 2.900 0.02 1 421 266 LYS N N 122.248 0.05 1 422 266 LYS H H 8.391 0.02 1 423 266 LYS HA H 4.467 0.02 1 424 266 LYS HB2 H 1.890 0.02 2 425 266 LYS HB3 H 1.978 0.02 2 426 266 LYS HG2 H 1.574 0.02 1 427 266 LYS HG3 H 1.574 0.02 1 428 267 ILE N N 123.084 0.05 1 429 267 ILE H H 8.357 0.02 1 430 267 ILE HA H 4.302 0.02 1 431 267 ILE HB H 1.927 0.02 1 432 267 ILE HG2 H 1.334 0.02 1 433 267 ILE HG12 H 1.612 0.02 1 434 267 ILE HG13 H 1.612 0.02 1 435 267 ILE HD1 H 1.043 0.02 1 436 268 ARG N N 129.315 0.05 1 437 268 ARG H H 8.027 0.02 1 438 268 ARG HA H 4.290 0.02 1 439 268 ARG HB2 H 1.877 0.02 2 440 268 ARG HB3 H 1.991 0.02 2 441 268 ARG HG2 H 1.713 0.02 1 442 268 ARG HG3 H 1.713 0.02 1 stop_ save_