data_4286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments of the Unstructured Yeast Vesicular SNARE Snc1. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fiebig Klaus M. . 2 Pollock Elizabeth . . 3 Brunger Axel T. . stop_ _BMRB_accession_number 4286 _BMRB_flat_file_name bmr4286.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' 438 '15N chemical shifts' 92 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_Snc1p _Saveframe_category molecular_system _Mol_system_name Snc1 _Abbreviation_common Snc1p loop_ _Mol_system_component_name _Mol_label Snc1 $Snc1 stop_ _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no loop_ _Biological_function "Membrane fusion protein" stop_ save_ ######################## # Monomeric polymers # ######################## save_Snc1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Snc1 _Abbreviation_common Snc1 ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GSPEFMSSSTPFDPYALSEH DEERPQNVQSKSRTAELQAE IDDTVGIMRDNINKVAERGE RLTSIEDKADNLAVSAQGFK RGANRVRKAMWYKDLKMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 PRO 4 0 GLU 5 1 PHE 6 2 MET 7 3 SER 8 4 SER 9 5 SER 10 6 THR 11 7 PRO 12 8 PHE 13 9 ASP 14 10 PRO 15 11 TYR 16 12 ALA 17 13 LEU 18 14 SER 19 15 GLU 20 16 HIS 21 17 ASP 22 18 GLU 23 19 GLU 24 20 ARG 25 21 PRO 26 22 GLN 27 23 ASN 28 24 VAL 29 25 GLN 30 26 SER 31 27 LYS 32 28 SER 33 29 ARG 34 30 THR 35 31 ALA 36 32 GLU 37 33 LEU 38 34 GLN 39 35 ALA 40 36 GLU 41 37 ILE 42 38 ASP 43 39 ASP 44 40 THR 45 41 VAL 46 42 GLY 47 43 ILE 48 44 MET 49 45 ARG 50 46 ASP 51 47 ASN 52 48 ILE 53 49 ASN 54 50 LYS 55 51 VAL 56 52 ALA 57 53 GLU 58 54 ARG 59 55 GLY 60 56 GLU 61 57 ARG 62 58 LEU 63 59 THR 64 60 SER 65 61 ILE 66 62 GLU 67 63 ASP 68 64 LYS 69 65 ALA 70 66 ASP 71 67 ASN 72 68 LEU 73 69 ALA 74 70 VAL 75 71 SER 76 72 ALA 77 73 GLN 78 74 GLY 79 75 PHE 80 76 LYS 81 77 ARG 82 78 GLY 83 79 ALA 84 80 ASN 85 81 ARG 86 82 VAL 87 83 ARG 88 84 LYS 89 85 ALA 90 86 MET 91 87 TRP 92 88 TYR 93 89 LYS 94 90 ASP 95 91 LEU 96 92 LYS 97 93 MET 98 94 LYS stop_ _Sequence_homology_query_date 2008-06-26 _Sequence_homology_query_revised_last_date 2008-06-26 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 3B5N "Structure Of The Yeast Plasma Membrane Snare Complex" 61.22 61 100.00 100.00 9.54e-27 GenBank AAA35069 synaptobrevin 94.90 117 100.00 100.00 3.05e-48 GenBank AAC05002 "Snc1p: Vesicle-associated membrane protein,synaptobrevin homolog [Saccharomyces cerevisiae]" 94.90 117 100.00 100.00 3.05e-48 GenBank EDN59733 "suppressor of the null allele of cap [Saccharomyces cerevisiae YJM789]" 94.90 117 100.00 100.00 3.05e-48 REF NP_009372 "Vesicle membrane receptor protein (v-SNARE) involved in the fusion between Golgi-derived secretory vesicles with the plasma membrane; proposed to be involved in endocytosis; member of the synaptobrevin/VAMP family of R-type v-SNARE proteins; Snc1p [Saccharomyces cerevisiae]" 94.90 117 100.00 100.00 3.05e-48 SWISS-PROT P31109 "Synaptobrevin homolog 1" 94.90 117 100.00 100.00 3.05e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Snc1 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $Snc1 'recombinant technology' 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 $Snc1 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 _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 Snc1 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 117.492 0.05 1 2 2 SER H H 8.770 0.02 1 3 2 SER HA H 4.891 0.02 1 4 2 SER HB2 H 3.974 0.02 1 5 2 SER HB3 H 3.974 0.02 1 6 4 GLU N N 120.838 0.05 1 7 4 GLU H H 8.529 0.02 1 8 4 GLU HA H 4.509 0.02 1 9 4 GLU HB2 H 1.875 0.02 2 10 4 GLU HB3 H 1.951 0.02 2 11 5 PHE N N 120.514 0.05 1 12 5 PHE H H 8.208 0.02 1 13 5 PHE HA H 4.279 0.02 1 14 5 PHE HB2 H 3.128 0.02 2 15 5 PHE HB3 H 3.230 0.02 2 16 6 MET N N 122.279 0.05 1 17 6 MET H H 8.277 0.02 1 18 6 MET HA H 4.719 0.02 1 19 6 MET HB2 H 2.028 0.02 1 20 6 MET HB3 H 2.028 0.02 1 21 7 SER N N 117.497 0.05 1 22 7 SER H H 8.417 0.02 1 23 7 SER HA H 4.441 0.02 1 24 7 SER HB2 H 3.974 0.02 1 25 7 SER HB3 H 3.974 0.02 1 26 8 SER N N 117.805 0.05 1 27 8 SER H H 8.429 0.02 1 28 8 SER HA H 4.593 0.02 1 29 8 SER HB2 H 3.974 0.02 1 30 8 SER HB3 H 3.974 0.02 1 31 9 SER N N 117.316 0.05 1 32 9 SER H H 8.381 0.02 1 33 9 SER HA H 4.555 0.02 1 34 9 SER HB2 H 3.986 0.02 1 35 9 SER HB3 H 3.986 0.02 1 36 10 THR N N 118.260 0.05 1 37 10 THR H H 8.234 0.02 1 38 10 THR HA H 4.643 0.02 1 39 10 THR HB H 4.239 0.02 1 40 10 THR HG2 H 1.321 0.02 2 41 12 PHE N N 121.173 0.05 1 42 12 PHE H H 8.328 0.02 1 43 12 PHE HA H 4.479 0.02 1 44 12 PHE HB2 H 3.076 0.02 2 45 12 PHE HB3 H 3.178 0.02 2 46 12 PHE HD1 H 7.283 0.02 1 47 12 PHE HD2 H 7.283 0.02 1 48 13 ASP N N 124.591 0.05 1 49 13 ASP H H 8.186 0.02 1 50 13 ASP HA H 4.934 0.02 1 51 13 ASP HB2 H 2.622 0.02 2 52 13 ASP HB3 H 2.862 0.02 2 53 15 TYR N N 118.285 0.05 1 54 15 TYR H H 8.101 0.02 1 55 15 TYR HA H 4.605 0.02 1 56 15 TYR HB2 H 2.989 0.02 2 57 15 TYR HB3 H 3.279 0.02 2 58 15 TYR HE1 H 7.233 0.02 1 59 15 TYR HE2 H 7.233 0.02 1 60 15 TYR HD1 H 7.587 0.02 1 61 15 TYR HD2 H 7.587 0.02 1 62 16 ALA N N 123.736 0.05 1 63 16 ALA H H 7.559 0.02 1 64 16 ALA HA H 4.315 0.02 1 65 16 ALA HB H 1.485 0.02 1 66 17 LEU N N 120.402 0.05 1 67 17 LEU H H 8.157 0.02 1 68 17 LEU HA H 4.403 0.02 1 69 17 LEU HB2 H 1.738 0.02 1 70 17 LEU HB3 H 1.738 0.02 1 71 17 LEU HD1 H 1.472 0.02 1 72 17 LEU HD2 H 1.472 0.02 1 73 18 SER N N 116.030 0.05 1 74 18 SER H H 8.260 0.02 1 75 18 SER HA H 4.530 0.02 1 76 18 SER HB2 H 3.948 0.02 1 77 18 SER HB3 H 3.948 0.02 1 78 19 GLU N N 122.146 0.05 1 79 19 GLU H H 8.373 0.02 1 80 19 GLU HA H 4.353 0.02 1 81 19 GLU HB2 H 2.003 0.02 2 82 19 GLU HB3 H 2.079 0.02 2 83 19 GLU HG2 H 2.369 0.02 1 84 19 GLU HG3 H 2.369 0.02 1 85 20 HIS N N 118.769 0.05 1 86 20 HIS H H 8.508 0.02 1 87 20 HIS HA H 4.795 0.02 1 88 20 HIS HB2 H 3.254 0.02 2 89 20 HIS HB3 H 3.380 0.02 2 90 21 ASP N N 121.491 0.05 1 91 21 ASP H H 8.472 0.02 1 92 21 ASP HA H 4.694 0.02 1 93 21 ASP HB2 H 2.774 0.02 1 94 21 ASP HB3 H 2.774 0.02 1 95 22 GLU N N 121.059 0.05 1 96 22 GLU H H 8.545 0.02 1 97 22 GLU HA H 4.365 0.02 1 98 22 GLU HB2 H 2.054 0.02 2 99 22 GLU HB3 H 2.180 0.02 2 100 22 GLU HG2 H 2.445 0.02 1 101 22 GLU HG3 H 2.445 0.02 1 102 23 GLU N N 121.357 0.05 1 103 23 GLU H H 8.405 0.02 1 104 23 GLU HA H 4.744 0.02 1 105 23 GLU HB2 H 2.066 0.02 2 106 23 GLU HB3 H 2.154 0.02 2 107 23 GLU HG2 H 2.433 0.02 1 108 23 GLU HG3 H 2.433 0.02 1 109 24 ARG N N 123.150 0.05 1 110 24 ARG H H 8.334 0.02 1 111 24 ARG HA H 4.391 0.02 1 112 24 ARG HB2 H 1.788 0.02 2 113 24 ARG HB3 H 1.890 0.02 2 114 24 ARG HG2 H 1.472 0.02 1 115 24 ARG HG3 H 1.472 0.02 1 116 26 GLN N N 120.420 0.05 1 117 26 GLN H H 8.649 0.02 1 118 26 GLN HA H 4.365 0.02 1 119 26 GLN HB2 H 2.028 0.02 2 120 26 GLN HB3 H 2.142 0.02 2 121 26 GLN HG2 H 2.458 0.02 1 122 26 GLN HG3 H 2.458 0.02 1 123 27 ASN N N 119.714 0.05 1 124 27 ASN H H 8.536 0.02 1 125 27 ASN HA H 4.807 0.02 1 126 27 ASN HB2 H 2.887 0.02 1 127 27 ASN HB3 H 2.887 0.02 1 128 28 VAL N N 120.416 0.05 1 129 28 VAL H H 8.163 0.02 1 130 28 VAL HA H 4.188 0.02 1 131 28 VAL HB H 2.180 0.02 1 132 28 VAL HG1 H 1.018 0.02 1 133 28 VAL HG2 H 1.018 0.02 1 134 29 GLN N N 123.909 0.05 1 135 29 GLN H H 8.551 0.02 1 136 29 GLN HA H 4.441 0.02 1 137 29 GLN HB2 H 2.078 0.02 2 138 29 GLN HB3 H 2.180 0.02 2 139 29 GLN HG2 H 2.470 0.02 1 140 29 GLN HG3 H 2.470 0.02 1 141 30 SER N N 117.819 0.05 1 142 30 SER H H 8.440 0.02 1 143 30 SER HA H 4.567 0.02 1 144 30 SER HB2 H 3.986 0.02 1 145 30 SER HB3 H 3.986 0.02 1 146 31 LYS N N 122.055 0.05 1 147 31 LYS H H 8.231 0.02 1 148 31 LYS HA H 4.378 0.02 1 149 31 LYS HB2 H 1.738 0.02 1 150 31 LYS HB3 H 1.738 0.02 1 151 32 SER N N 116.747 0.05 1 152 32 SER H H 8.368 0.02 1 153 32 SER HA H 4.441 0.02 1 154 32 SER HB2 H 3.974 0.02 1 155 32 SER HB3 H 3.974 0.02 1 156 33 ARG N N 123.547 0.05 1 157 33 ARG H H 8.496 0.02 1 158 33 ARG HA H 4.492 0.02 1 159 33 ARG HB2 H 1.889 0.02 2 160 33 ARG HB3 H 1.991 0.02 2 161 33 ARG HG2 H 1.750 0.02 1 162 33 ARG HG3 H 1.750 0.02 1 163 34 THR N N 115.049 0.05 1 164 34 THR H H 8.189 0.02 1 165 34 THR HA H 4.360 0.02 4 166 34 THR HB H 4.346 0.02 4 167 34 THR HG2 H 1.321 0.02 2 168 35 ALA N N 125.788 0.05 1 169 35 ALA H H 8.334 0.02 1 170 35 ALA HA H 4.340 0.02 1 171 35 ALA HB H 1.510 0.02 1 172 36 GLU N N 119.801 0.05 1 173 36 GLU H H 8.348 0.02 1 174 36 GLU HA H 4.340 0.02 1 175 36 GLU HB2 H 2.117 0.02 1 176 36 GLU HB3 H 2.117 0.02 1 177 36 GLU HG2 H 2.445 0.02 1 178 36 GLU HG3 H 2.445 0.02 1 179 37 LEU N N 122.494 0.05 1 180 37 LEU H H 8.220 0.02 1 181 37 LEU HA H 4.327 0.02 1 182 37 LEU HB2 H 1.750 0.02 1 183 37 LEU HB3 H 1.750 0.02 1 184 37 LEU HD1 H 0.980 0.02 1 185 37 LEU HD2 H 0.980 0.02 1 186 38 GLN N N 120.681 0.05 1 187 38 GLN H H 8.342 0.02 1 188 38 GLN HA H 4.340 0.02 1 189 38 GLN HB2 H 2.142 0.02 1 190 38 GLN HB3 H 2.142 0.02 1 191 38 GLN HG2 H 2.458 0.02 1 192 38 GLN HG3 H 2.458 0.02 1 193 39 ALA N N 124.112 0.05 1 194 39 ALA H H 8.227 0.02 1 195 39 ALA HA H 4.315 0.02 1 196 39 ALA HB H 1.498 0.02 1 197 40 GLU N N 119.381 0.05 1 198 40 GLU H H 8.233 0.02 1 199 40 GLU HA H 4.365 0.02 1 200 40 GLU HB2 H 2.129 0.02 1 201 40 GLU HB3 H 2.129 0.02 1 202 40 GLU HG2 H 2.496 0.02 1 203 40 GLU HG3 H 2.496 0.02 1 204 41 ILE N N 121.783 0.05 1 205 41 ILE H H 8.159 0.02 1 206 41 ILE HA H 4.176 0.02 1 207 41 ILE HB H 1.965 0.02 1 208 41 ILE HG2 H 1.258 0.02 1 209 41 ILE HG12 H 1.586 0.02 1 210 41 ILE HG13 H 1.586 0.02 1 211 41 ILE HD1 H 0.967 0.02 1 212 42 ASP N N 123.588 0.05 1 213 42 ASP H H 8.471 0.02 1 214 42 ASP HA H 4.719 0.02 1 215 42 ASP HB2 H 2.749 0.02 2 216 42 ASP HB3 H 2.887 0.02 2 217 43 ASP N N 118.939 0.05 1 218 43 ASP H H 8.343 0.02 1 219 43 ASP HA H 4.706 0.02 1 220 43 ASP HB2 H 2.862 0.02 1 221 43 ASP HB3 H 2.862 0.02 1 222 44 THR N N 114.119 0.05 1 223 44 THR H H 8.300 0.02 1 224 44 THR HA H 4.770 0.02 1 225 44 THR HG2 H 1.321 0.02 2 226 45 VAL N N 121.799 0.05 1 227 45 VAL H H 8.042 0.02 1 228 45 VAL HA H 4.163 0.02 1 229 45 VAL HB H 2.218 0.02 1 230 45 VAL HG1 H 1.056 0.02 1 231 45 VAL HG2 H 1.056 0.02 1 232 46 GLY N N 111.766 0.05 1 233 46 GLY H H 8.459 0.02 1 234 46 GLY HA2 H 4.024 0.02 1 235 46 GLY HA3 H 4.024 0.02 1 236 47 ILE N N 120.069 0.05 1 237 47 ILE H H 7.986 0.02 1 238 47 ILE HA H 4.226 0.02 1 239 47 ILE HB H 1.965 0.02 1 240 47 ILE HG2 H 1.258 0.02 1 241 47 ILE HG12 H 1.536 0.02 1 242 47 ILE HG13 H 1.536 0.02 1 243 47 ILE HD1 H 0.992 0.02 1 244 48 MET N N 123.951 0.05 1 245 48 MET H H 8.479 0.02 1 246 48 MET HA H 4.580 0.02 1 247 48 MET HB2 H 2.142 0.02 1 248 48 MET HB3 H 2.142 0.02 1 249 48 MET HG2 H 2.635 0.02 1 250 48 MET HG3 H 2.635 0.02 1 251 49 ARG N N 122.461 0.05 1 252 49 ARG H H 8.377 0.02 1 253 49 ARG HA H 4.378 0.02 1 254 49 ARG HB2 H 1.902 0.02 1 255 49 ARG HB3 H 1.902 0.02 1 256 49 ARG HG2 H 1.738 0.02 1 257 49 ARG HG3 H 1.738 0.02 1 258 50 ASP N N 120.551 0.05 1 259 50 ASP H H 8.403 0.02 1 260 50 ASP HA H 4.681 0.02 1 261 50 ASP HB2 H 2.786 0.02 1 262 50 ASP HB3 H 2.786 0.02 1 263 51 ASN N N 118.889 0.05 1 264 51 ASN H H 8.418 0.02 1 265 51 ASN HA H 4.770 0.02 1 266 51 ASN HB2 H 2.887 0.02 1 267 51 ASN HB3 H 2.887 0.02 1 268 52 ILE N N 120.605 0.05 1 269 52 ILE H H 8.108 0.02 1 270 52 ILE HA H 4.188 0.02 1 271 52 ILE HB H 2.003 0.02 1 272 52 ILE HG2 H 1.270 0.02 1 273 52 ILE HG12 H 1.536 0.02 1 274 52 ILE HG13 H 1.536 0.02 1 275 52 ILE HD1 H 0.980 0.02 1 276 53 ASN N N 121.581 0.05 1 277 53 ASN H H 8.497 0.02 1 278 53 ASN HA H 4.782 0.02 1 279 53 ASN HB2 H 2.875 0.02 1 280 53 ASN HB3 H 2.875 0.02 1 281 54 LYS N N 121.978 0.05 1 282 54 LYS H H 8.221 0.02 1 283 54 LYS HA H 4.365 0.02 1 284 54 LYS HB2 H 1.889 0.02 1 285 54 LYS HB3 H 1.889 0.02 1 286 54 LYS HG2 H 1.498 0.02 1 287 54 LYS HG3 H 1.498 0.02 1 288 55 VAL N N 121.264 0.05 1 289 55 VAL H H 8.147 0.02 1 290 55 VAL HA H 4.113 0.02 1 291 55 VAL HB H 2.167 0.02 1 292 55 VAL HG1 H 1.030 0.02 1 293 55 VAL HG2 H 1.030 0.02 1 294 56 ALA N N 127.228 0.05 1 295 56 ALA H H 8.370 0.02 1 296 56 ALA HA H 4.378 0.02 1 297 56 ALA HB H 1.472 0.02 1 298 57 GLU N N 120.205 0.05 1 299 57 GLU H H 8.368 0.02 1 300 57 GLU HA H 4.378 0.02 1 301 57 GLU HB2 H 2.053 0.02 2 302 57 GLU HB3 H 2.155 0.02 2 303 57 GLU HG2 H 2.420 0.02 1 304 57 GLU HG3 H 2.420 0.02 1 305 58 ARG N N 121.841 0.05 1 306 58 ARG H H 8.428 0.02 1 307 58 ARG HA H 4.365 0.02 1 308 58 ARG HB2 H 1.902 0.02 2 309 58 ARG HB3 H 1.990 0.02 2 310 58 ARG HG2 H 1.738 0.02 1 311 58 ARG HG3 H 1.738 0.02 1 312 59 GLY N N 109.769 0.05 1 313 59 GLY H H 8.476 0.02 1 314 59 GLY HA2 H 4.049 0.02 1 315 59 GLY HA3 H 4.049 0.02 1 316 60 GLU N N 120.605 0.05 1 317 60 GLU H H 8.318 0.02 1 318 60 GLU HA H 4.391 0.02 1 319 60 GLU HB2 H 2.079 0.02 1 320 60 GLU HB3 H 2.079 0.02 1 321 60 GLU HG2 H 2.407 0.02 1 322 60 GLU HG3 H 2.407 0.02 1 323 61 ARG N N 123.836 0.05 1 324 61 ARG H H 8.447 0.02 1 325 61 ARG HA H 4.252 0.02 1 326 61 ARG HB2 H 2.028 0.02 1 327 61 ARG HB3 H 2.028 0.02 1 328 62 LEU N N 123.756 0.05 1 329 62 LEU H H 8.436 0.02 1 330 62 LEU HA H 4.416 0.02 1 331 62 LEU HB2 H 1.738 0.02 1 332 62 LEU HB3 H 1.738 0.02 1 333 62 LEU HD1 H 0.992 0.02 1 334 62 LEU HD2 H 0.992 0.02 1 335 63 THR N N 114.611 0.05 1 336 63 THR H H 8.206 0.02 1 337 63 THR HA H 4.504 0.02 1 338 63 THR HB H 4.340 0.02 1 339 63 THR HG2 H 1.296 0.02 2 340 64 SER N N 118.188 0.05 1 341 64 SER H H 8.394 0.02 1 342 64 SER HA H 4.605 0.02 1 343 64 SER HB2 H 3.986 0.02 1 344 64 SER HB3 H 3.986 0.02 1 345 65 ILE N N 122.400 0.05 1 346 65 ILE H H 8.248 0.02 1 347 65 ILE HA H 4.252 0.02 1 348 65 ILE HB H 1.990 0.02 1 349 65 ILE HG2 H 1.296 0.02 1 350 65 ILE HG12 H 1.561 0.02 1 351 65 ILE HG13 H 1.561 0.02 1 352 65 ILE HD1 H 1.005 0.02 1 353 66 GLU N N 123.911 0.05 1 354 66 GLU H H 8.457 0.02 1 355 66 GLU HA H 4.416 0.02 1 356 66 GLU HB2 H 2.104 0.02 1 357 66 GLU HB3 H 2.104 0.02 1 358 66 GLU HG2 H 2.420 0.02 1 359 66 GLU HG3 H 2.420 0.02 1 360 67 ASP N N 121.684 0.05 1 361 67 ASP H H 8.379 0.02 1 362 67 ASP HA H 4.694 0.02 1 363 67 ASP HB2 H 2.799 0.02 1 364 67 ASP HB3 H 2.799 0.02 1 365 68 LYS N N 122.013 0.05 1 366 68 LYS H H 8.272 0.02 1 367 68 LYS HA H 4.365 0.02 1 368 68 LYS HB2 H 1.851 0.02 2 369 68 LYS HB3 H 1.953 0.02 2 370 68 LYS HG2 H 1.523 0.02 1 371 68 LYS HG3 H 1.523 0.02 1 372 69 ALA N N 124.569 0.05 1 373 69 ALA H H 8.356 0.02 1 374 69 ALA HA H 4.353 0.02 1 375 69 ALA HB H 1.472 0.02 1 376 70 ASP N N 118.973 0.05 1 377 70 ASP H H 8.307 0.02 1 378 70 ASP HA H 4.353 0.02 1 379 70 ASP HB2 H 2.786 0.02 1 380 70 ASP HB3 H 2.786 0.02 1 381 73 ALA N N 124.222 0.05 1 382 73 ALA H H 8.203 0.02 1 383 73 ALA HA H 4.378 0.02 1 384 73 ALA HB H 1.485 0.02 1 385 74 VAL N N 118.530 0.05 1 386 74 VAL H H 8.041 0.02 1 387 74 VAL HA H 4.151 0.02 1 388 74 VAL HB H 2.167 0.02 1 389 74 VAL HG1 H 1.018 0.02 1 390 74 VAL HG2 H 1.018 0.02 1 391 75 SER N N 118.519 0.05 1 392 75 SER H H 8.316 0.02 1 393 75 SER HA H 4.517 0.02 1 394 75 SER HB2 H 3.948 0.02 1 395 75 SER HB3 H 3.948 0.02 1 396 76 ALA N N 126.059 0.05 1 397 76 ALA H H 8.392 0.02 1 398 76 ALA HA H 4.403 0.02 1 399 76 ALA HB H 1.510 0.02 1 400 77 GLN N N 118.557 0.05 1 401 77 GLN H H 8.287 0.02 1 402 77 GLN HA H 4.391 0.02 1 403 77 GLN HB2 H 2.053 0.02 2 404 77 GLN HB3 H 2.167 0.02 2 405 77 GLN HG2 H 2.458 0.02 1 406 77 GLN HG3 H 2.458 0.02 1 407 78 GLY N N 109.272 0.05 1 408 78 GLY H H 8.323 0.02 1 409 78 GLY HA2 H 3.974 0.02 1 410 78 GLY HA3 H 3.974 0.02 1 411 79 PHE N N 120.132 0.05 1 412 79 PHE H H 8.073 0.02 1 413 79 PHE HA H 4.681 0.02 1 414 79 PHE HB2 H 3.153 0.02 1 415 79 PHE HB3 H 3.153 0.02 1 416 80 LYS N N 123.429 0.05 1 417 80 LYS H H 8.297 0.02 1 418 80 LYS HA H 4.353 0.02 1 419 80 LYS HB2 H 1.814 0.02 1 420 80 LYS HB3 H 1.814 0.02 1 421 80 LYS HG2 H 1.460 0.02 1 422 80 LYS HG3 H 1.460 0.02 1 423 81 ARG N N 122.604 0.05 1 424 81 ARG H H 8.375 0.02 1 425 81 ARG HA H 4.567 0.02 1 426 81 ARG HB2 H 1.902 0.02 1 427 81 ARG HB3 H 1.902 0.02 1 428 81 ARG HG2 H 1.750 0.02 1 429 81 ARG HG3 H 1.750 0.02 1 430 82 GLY N N 110.647 0.05 1 431 82 GLY H H 8.532 0.02 1 432 82 GLY HA2 H 4.195 0.02 1 433 82 GLY HA3 H 4.195 0.02 1 434 83 ALA N N 123.868 0.05 1 435 83 ALA H H 8.245 0.02 1 436 83 ALA HA H 4.378 0.02 1 437 83 ALA HB H 1.460 0.02 1 438 84 ASN N N 117.719 0.05 1 439 84 ASN H H 8.494 0.02 1 440 84 ASN HA H 4.744 0.02 1 441 84 ASN HB2 H 2.875 0.02 1 442 84 ASN HB3 H 2.875 0.02 1 443 85 ARG N N 121.495 0.05 1 444 85 ARG H H 8.274 0.02 1 445 85 ARG HA H 4.403 0.02 1 446 85 ARG HB2 H 1.864 0.02 1 447 85 ARG HB3 H 1.864 0.02 1 448 85 ARG HG2 H 1.662 0.02 1 449 85 ARG HG3 H 1.662 0.02 1 450 86 VAL N N 121.452 0.05 1 451 86 VAL H H 8.173 0.02 1 452 86 VAL HA H 4.125 0.02 1 453 86 VAL HB H 2.155 0.02 1 454 86 VAL HG1 H 1.030 0.02 1 455 86 VAL HG2 H 1.030 0.02 1 456 87 ARG N N 125.294 0.05 1 457 87 ARG H H 8.423 0.02 1 458 87 ARG HA H 4.403 0.02 1 459 87 ARG HB2 H 1.839 0.02 1 460 87 ARG HB3 H 1.839 0.02 1 461 87 ARG HG2 H 1.662 0.02 1 462 87 ARG HG3 H 1.662 0.02 1 463 88 LYS N N 122.128 0.05 1 464 88 LYS H H 8.461 0.02 1 465 88 LYS HA H 4.403 0.02 1 466 88 LYS HB2 H 1.889 0.02 1 467 88 LYS HB3 H 1.889 0.02 1 468 88 LYS HG2 H 1.725 0.02 1 469 88 LYS HG3 H 1.725 0.02 1 470 89 ALA N N 124.742 0.05 1 471 89 ALA H H 8.334 0.02 1 472 89 ALA HA H 4.277 0.02 1 473 89 ALA HB H 1.397 0.02 1 474 90 MET N N 118.798 0.05 1 475 90 MET H H 8.308 0.02 1 476 90 MET HA H 4.391 0.02 1 477 90 MET HB2 H 1.978 0.02 1 478 90 MET HB3 H 1.978 0.02 1 479 90 MET HG2 H 2.508 0.02 1 480 90 MET HG3 H 2.508 0.02 1 481 91 TRP N N 121.181 0.05 1 482 91 TRP H H 7.986 0.02 1 483 91 TRP HA H 4.681 0.02 1 484 91 TRP HB2 H 3.304 0.02 1 485 91 TRP HB3 H 3.304 0.02 1 486 91 TRP NE1 N 129.809 0.05 1 487 91 TRP HD1 H 7.271 0.02 1 488 91 TRP HE1 H 10.237 0.02 1 489 91 TRP HZ2 H 7.574 0.02 1 490 92 TYR N N 120.835 0.05 1 491 92 TYR H H 7.695 0.02 1 492 92 TYR HA H 4.428 0.02 1 493 92 TYR HB2 H 2.875 0.02 1 494 92 TYR HB3 H 2.875 0.02 1 495 92 TYR HD1 H 7.043 0.02 1 496 92 TYR HD2 H 7.043 0.02 1 497 93 LYS N N 122.327 0.05 1 498 93 LYS H H 7.892 0.02 1 499 93 LYS HA H 4.176 0.02 1 500 93 LYS HB2 H 1.788 0.02 1 501 93 LYS HB3 H 1.788 0.02 1 502 93 LYS HG2 H 1.384 0.02 1 503 93 LYS HG3 H 1.384 0.02 1 504 94 ASP N N 120.656 0.05 1 505 94 ASP H H 8.220 0.02 1 506 94 ASP HA H 4.668 0.02 1 507 94 ASP HB2 H 2.724 0.02 2 508 94 ASP HB3 H 2.862 0.02 2 509 95 LEU N N 122.870 0.05 1 510 95 LEU H H 8.093 0.02 1 511 95 LEU HA H 4.340 0.02 1 512 95 LEU HB2 H 1.700 0.02 1 513 95 LEU HB3 H 1.700 0.02 1 514 96 LYS N N 121.523 0.05 1 515 96 LYS H H 8.318 0.02 1 516 96 LYS HA H 4.340 0.02 1 517 96 LYS HB2 H 1.889 0.02 1 518 96 LYS HB3 H 1.889 0.02 1 519 96 LYS HG2 H 1.510 0.02 1 520 96 LYS HG3 H 1.510 0.02 1 521 97 MET N N 121.960 0.05 1 522 97 MET H H 8.306 0.02 1 523 97 MET HA H 4.542 0.02 1 524 97 MET HB2 H 2.079 0.02 1 525 97 MET HB3 H 2.079 0.02 1 526 98 LYS N N 127.389 0.05 1 527 98 LYS H H 7.979 0.02 1 528 98 LYS HA H 4.542 0.02 1 529 98 LYS HB2 H 1.814 0.02 1 530 98 LYS HB3 H 1.814 0.02 1 stop_ save_