data_4383 #Corrected using PDB structure: 1BWOB # #N.B. (Observed* = Observed shift + Offset correction) # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.11 N/A N/A N/A N/A -0.10 # #bmr4383.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4383.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 N/A N/A N/A N/A +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.840 N/A N/A N/A N/A 0.760 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.142 N/A N/A N/A N/A 0.232 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemicals Shift Assignments for Wheat ns-LTP Complexed with Prostaglandin B2. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tassin-Moindrot Severine . . 2 Caille Anita . . 3 Douliez Jean-Paul . . 4 Marion Didier . . 5 Vovelle Francoise . . stop_ _BMRB_accession_number 4383 _BMRB_flat_file_name bmr4383.str _Entry_type new _Submission_date 1999-08-27 _Accession_date 1999-09-27 _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' 509 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; The wide binding properties of a wheat nonspecific lipid transfer protein Solution structure of a complex with prostaglandin B2 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 20138001 _PubMed_ID 10672021 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tassin-Moindrot Severine . . 2 Caille Anita . . 3 Douliez Jean-Paul . . 4 Marion Didier . . 5 Vovelle Francoise . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 267 _Page_first 1117 _Page_last 1124 _Year 2000 save_ ################################## # Molecular system description # ################################## save_system_wheat_ns-LTP _Saveframe_category molecular_system _Mol_system_name "wheat ns-LTP" _Abbreviation_common "wheat ns-LTP" loop_ _Mol_system_component_name _Mol_label "wheat ns-LTP" $wheat_ns-LTP 'Prostaglandin B2' $Prostaglandin_B2 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not reported" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1GH1 "A Chain A, Nmr Structures Of Wheat Nonspecific Lipid Transfer Protein" . PDB 1BWO "A Chain A, The Crystal Structure Of Wheat Non-Specific Transfer Protein Complexed With Two Molecules Of Phospholipid At 2.1 A Resolution" . PDB 1CZ2 "A Chain A, Solution Structure Of Wheat Ns-Ltp Complexed With Prostaglandin B2" . stop_ save_ ######################## # Monomeric polymers # ######################## save_wheat_ns-LTP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "wheat non specific Lipid Transfer Protein" _Name_variant . _Abbreviation_common "wheat ns-LTP" _Mol_thiol_state 'not reported' ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; IDCGHVDSLVRPCLSYVQGG PGPSGQCCDGVKNLHNQARS QSDRQSACNCLKGIARGIHN LNEDNARSIPPKCGVNLPYT ISLNIDCSRV ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ASP 3 CYS 4 GLY 5 HIS 6 VAL 7 ASP 8 SER 9 LEU 10 VAL 11 ARG 12 PRO 13 CYS 14 LEU 15 SER 16 TYR 17 VAL 18 GLN 19 GLY 20 GLY 21 PRO 22 GLY 23 PRO 24 SER 25 GLY 26 GLN 27 CYS 28 CYS 29 ASP 30 GLY 31 VAL 32 LYS 33 ASN 34 LEU 35 HIS 36 ASN 37 GLN 38 ALA 39 ARG 40 SER 41 GLN 42 SER 43 ASP 44 ARG 45 GLN 46 SER 47 ALA 48 CYS 49 ASN 50 CYS 51 LEU 52 LYS 53 GLY 54 ILE 55 ALA 56 ARG 57 GLY 58 ILE 59 HIS 60 ASN 61 LEU 62 ASN 63 GLU 64 ASP 65 ASN 66 ALA 67 ARG 68 SER 69 ILE 70 PRO 71 PRO 72 LYS 73 CYS 74 GLY 75 VAL 76 ASN 77 LEU 78 PRO 79 TYR 80 THR 81 ILE 82 SER 83 LEU 84 ASN 85 ILE 86 ASP 87 CYS 88 SER 89 ARG 90 VAL stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-03 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BWO "A Chain A, The Crystal Structure Of WheatNon-Specific Transfer Protein Complexed With TwoMolecules Of Phospholipid At 2.1 A Resolution" 100.00 90 100 100 9e-50 PDB 1CZ2 "A Chain A, Solution Structure Of WheatNs-Ltp Complexed With Prostaglandin B2" 100.00 90 100 100 3e-49 PDB 1GH1 "A Chain A, Nmr Structures Of WheatNonspecific Lipid Transfer Protein" 100.00 90 100 100 9e-50 EMBL CAA45210.1 "lipid transfer protein [Triticum turgidumsubsp. durum]" 79.65 113 100 100 9e-50 GenBank AAB22334.1 "non-specific phospholipid transferprotein, nsPLTP [Tricum aestivum=wheat, var. Camp Remy,seeds, Peptide, 90 aa]" 100.00 90 100 100 9e-50 GenBank AAN75627.1 "lipid transfer protein 1 precursor[Triticum aestivum]" 77.59 116 100 100 9e-50 PIR S21757 "lipid transfer protein - wheat" 100.00 90 100 100 9e-50 PIR S22528 "lipid transfer protein precursor - durumwheat (fragment)" 79.65 113 100 100 9e-50 PRF 1814270A "phospholipid transfer protein" 100.00 90 100 100 9e-50 SWISS-PROT P24296 "NLT1_WHEAT Nonspecific lipid-transfer proteinprecursor (LTP) (Phospholipid transfer protein) (PLTP)(ns-LTP1)" 79.65 113 100 100 9e-50 stop_ save_ ############# # Ligands # ############# save_Prostaglandin_B2 _Saveframe_category ligand _Mol_type non-polymer _Name_common 'prostaglandin B2' _Abbreviation_common 'prostaglandin B2' _Name_IUPAC . _BMRB_code . _PDB_code . _Mol_empirical_formula . _Mol_paramagnetic no _Mol_aromatic no save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $wheat_ns-LTP Wheat 4565 Eukaryota Metazoa Triticum aestivum 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 $wheat_ns-LTP '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 _Isotopic_labeling $wheat_ns-LTP . mM . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 . n/a temperature 308 . 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 . . . 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "wheat ns-LTP" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ILE HA H 3.98 . 1 2 1 ILE HB H 1.83 . 1 3 1 ILE HG2 H 0.85 . 1 4 1 ILE HG12 H 1.28 . 2 5 1 ILE HG13 H 1.65 . 2 6 1 ILE HD1 H 0.79 . 1 7 2 ASP H H 8.49 . 1 8 2 ASP HA H 4.86 . 1 9 2 ASP HB2 H 2.76 . 2 10 2 ASP HB3 H 2.82 . 2 11 3 CYS H H 9.24 . 1 12 3 CYS HA H 4.63 . 1 13 3 CYS HB2 H 2.95 . 2 14 3 CYS HB3 H 3.32 . 2 15 4 GLY H H 8.85 . 1 16 4 GLY HA2 H 3.94 . 1 17 4 GLY HA3 H 3.94 . 1 18 5 HIS H H 8.04 . 1 19 5 HIS HA H 4.54 . 1 20 5 HIS HB2 H 3.35 . 2 21 5 HIS HB3 H 3.41 . 2 22 5 HIS HD2 H 7.13 . 1 23 5 HIS HE1 H 8.61 . 1 24 6 VAL H H 7.84 . 1 25 6 VAL HA H 3.37 . 1 26 6 VAL HB H 2.26 . 1 27 6 VAL HG1 H 0.91 . 2 28 6 VAL HG2 H 1.04 . 2 29 7 ASP H H 8.59 . 1 30 7 ASP HA H 4.13 . 1 31 7 ASP HB2 H 2.80 . 1 32 7 ASP HB3 H 2.80 . 1 33 8 SER H H 7.60 . 1 34 8 SER HA H 4.12 . 1 35 8 SER HB2 H 4.02 . 1 36 8 SER HB3 H 4.02 . 1 37 9 LEU H H 7.63 . 1 38 9 LEU HA H 4.18 . 1 39 9 LEU HB2 H 2.07 . 2 40 9 LEU HB3 H 1.44 . 2 41 9 LEU HG H 1.68 . 1 42 9 LEU HD1 H 0.70 . 2 43 9 LEU HD2 H 0.93 . 2 44 10 VAL H H 7.44 . 1 45 10 VAL HA H 4.61 . 1 46 10 VAL HB H 2.29 . 1 47 10 VAL HG1 H 0.89 . 2 48 10 VAL HG2 H 0.85 . 2 49 11 ARG H H 7.92 . 1 50 11 ARG HA H 4.22 . 1 51 11 ARG HB2 H 1.97 . 2 52 11 ARG HB3 H 2.21 . 2 53 11 ARG HG2 H 1.76 . 1 54 11 ARG HG3 H 1.76 . 1 55 11 ARG HD2 H 3.21 . 2 56 11 ARG HD3 H 3.28 . 2 57 11 ARG HE H 7.60 . 1 58 11 ARG HH11 H 6.79 . 1 59 11 ARG HH12 H 6.79 . 1 60 12 PRO HA H 4.67 . 1 61 12 PRO HB2 H 1.29 . 2 62 12 PRO HB3 H 2.51 . 2 63 12 PRO HG2 H 1.96 . 1 64 12 PRO HG3 H 1.96 . 1 65 12 PRO HD2 H 3.56 . 2 66 12 PRO HD3 H 3.74 . 2 67 13 CYS H H 8.73 . 1 68 13 CYS HA H 4.78 . 1 69 13 CYS HB2 H 3.23 . 2 70 13 CYS HB3 H 3.32 . 2 71 14 LEU H H 8.24 . 1 72 14 LEU HA H 3.99 . 1 73 14 LEU HB2 H 1.97 . 1 74 14 LEU HB3 H 1.97 . 1 75 14 LEU HG H 1.57 . 1 76 14 LEU HD1 H 0.78 . 2 77 14 LEU HD2 H 0.94 . 2 78 15 SER H H 8.63 . 1 79 15 SER HA H 4.22 . 1 80 15 SER HB2 H 3.96 . 2 81 15 SER HB3 H 4.04 . 2 82 16 TYR H H 7.30 . 1 83 16 TYR HA H 4.62 . 1 84 16 TYR HB2 H 3.10 . 2 85 16 TYR HB3 H 3.48 . 2 86 16 TYR HD1 H 7.03 . 1 87 16 TYR HD2 H 7.03 . 1 88 16 TYR HE1 H 6.62 . 1 89 16 TYR HE2 H 6.62 . 1 90 17 VAL H H 8.01 . 1 91 17 VAL HA H 3.72 . 1 92 17 VAL HB H 2.40 . 1 93 17 VAL HG1 H 0.97 . 2 94 17 VAL HG2 H 1.05 . 2 95 18 GLN H H 7.59 . 1 96 18 GLN HA H 4.70 . 1 97 18 GLN HB2 H 2.06 . 1 98 18 GLN HB3 H 2.06 . 1 99 18 GLN HG2 H 2.31 . 2 100 18 GLN HG3 H 2.43 . 2 101 18 GLN HE21 H 6.81 . 2 102 18 GLN HE22 H 7.18 . 2 103 19 GLY H H 7.72 . 1 104 19 GLY HA2 H 3.48 . 2 105 19 GLY HA3 H 4.55 . 2 106 20 GLY H H 8.33 . 1 107 20 GLY HA2 H 3.79 . 2 108 20 GLY HA3 H 4.44 . 2 109 21 PRO HA H 4.70 . 1 110 21 PRO HB2 H 1.90 . 2 111 21 PRO HB3 H 2.33 . 2 112 21 PRO HG2 H 2.04 . 1 113 21 PRO HG3 H 2.04 . 1 114 21 PRO HD2 H 3.64 . 1 115 21 PRO HD3 H 3.64 . 1 116 22 GLY H H 8.16 . 1 117 22 GLY HA2 H 3.19 . 2 118 22 GLY HA3 H 3.93 . 2 119 23 PRO HA H 3.82 . 1 120 23 PRO HB2 H 1.81 . 1 121 23 PRO HB3 H 1.81 . 1 122 23 PRO HG2 H 1.52 . 2 123 23 PRO HG3 H 1.75 . 2 124 23 PRO HD2 H 2.81 . 2 125 23 PRO HD3 H 3.33 . 2 126 24 SER H H 8.94 . 1 127 24 SER HA H 4.41 . 1 128 24 SER HB2 H 4.15 . 1 129 24 SER HB3 H 4.15 . 1 130 24 SER HG H 5.67 . 1 131 25 GLY H H 9.01 . 1 132 25 GLY HA2 H 3.78 . 2 133 25 GLY HA3 H 3.94 . 2 134 26 GLN H H 8.35 . 1 135 26 GLN HA H 4.18 . 1 136 26 GLN HB2 H 2.05 . 1 137 26 GLN HB3 H 2.05 . 1 138 26 GLN HG2 H 2.57 . 1 139 26 GLN HG3 H 2.57 . 1 140 26 GLN HE21 H 7.56 . 2 141 26 GLN HE22 H 6.64 . 2 142 27 CYS H H 7.97 . 1 143 27 CYS HA H 4.34 . 1 144 27 CYS HB2 H 2.85 . 2 145 27 CYS HB3 H 3.33 . 2 146 28 CYS H H 8.21 . 1 147 28 CYS HA H 4.70 . 1 148 28 CYS HB2 H 2.86 . 2 149 28 CYS HB3 H 3.10 . 2 150 29 ASP H H 8.89 . 1 151 29 ASP HA H 4.42 . 1 152 29 ASP HB2 H 2.67 . 2 153 29 ASP HB3 H 2.75 . 2 154 30 GLY H H 8.02 . 1 155 30 GLY HA2 H 3.91 . 2 156 30 GLY HA3 H 4.33 . 2 157 31 VAL H H 8.28 . 1 158 31 VAL HA H 3.73 . 1 159 31 VAL HB H 2.22 . 1 160 31 VAL HG1 H 0.91 . 2 161 31 VAL HG2 H 1.10 . 2 162 32 LYS H H 8.48 . 1 163 32 LYS HA H 3.91 . 1 164 32 LYS HB2 H 1.55 . 2 165 32 LYS HB3 H 1.70 . 2 166 32 LYS HG2 H 1.34 . 1 167 32 LYS HG3 H 1.34 . 1 168 32 LYS HD2 H 1.94 . 1 169 32 LYS HD3 H 1.94 . 1 170 32 LYS HE2 H 2.93 . 1 171 32 LYS HE3 H 2.93 . 1 172 33 ASN H H 8.28 . 1 173 33 ASN HA H 4.53 . 1 174 33 ASN HB2 H 2.76 . 2 175 33 ASN HB3 H 3.05 . 2 176 33 ASN HD21 H 6.96 . 2 177 33 ASN HD22 H 7.22 . 2 178 34 LEU H H 8.55 . 1 179 34 LEU HA H 3.89 . 1 180 34 LEU HB2 H 2.12 . 1 181 34 LEU HB3 H 2.12 . 1 182 34 LEU HG H 1.56 . 1 183 34 LEU HD1 H 0.93 . 1 184 34 LEU HD2 H 0.93 . 1 185 35 HIS H H 8.27 . 1 186 35 HIS HA H 4.31 . 1 187 35 HIS HB2 H 3.05 . 2 188 35 HIS HB3 H 3.37 . 2 189 35 HIS HD2 H 7.22 . 1 190 35 HIS HE1 H 8.48 . 1 191 36 ASN H H 7.98 . 1 192 36 ASN HA H 4.40 . 1 193 36 ASN HB2 H 2.93 . 2 194 36 ASN HB3 H 3.00 . 2 195 36 ASN HD21 H 6.94 . 2 196 36 ASN HD22 H 7.72 . 2 197 37 GLN H H 7.95 . 1 198 37 GLN HA H 4.29 . 1 199 37 GLN HB2 H 1.97 . 2 200 37 GLN HB3 H 2.17 . 2 201 37 GLN HG2 H 2.46 . 2 202 37 GLN HG3 H 2.61 . 2 203 37 GLN HE21 H 6.89 . 2 204 37 GLN HE22 H 7.38 . 2 205 38 ALA H H 7.87 . 1 206 38 ALA HA H 4.59 . 1 207 38 ALA HB H 1.15 . 1 208 39 ARG H H 8.25 . 1 209 39 ARG HA H 4.37 . 1 210 39 ARG HB2 H 1.78 . 2 211 39 ARG HB3 H 1.87 . 2 212 39 ARG HG2 H 1.52 . 2 213 39 ARG HG3 H 1.59 . 2 214 39 ARG HD2 H 3.20 . 1 215 39 ARG HD3 H 3.20 . 1 216 39 ARG HE H 7.04 . 1 217 40 SER H H 8.78 . 1 218 40 SER HA H 4.55 . 1 219 40 SER HB2 H 4.05 . 2 220 40 SER HB3 H 4.29 . 2 221 41 GLN H H 9.12 . 1 222 41 GLN HA H 3.86 . 1 223 41 GLN HB2 H 2.16 . 1 224 41 GLN HB3 H 2.16 . 1 225 41 GLN HG2 H 2.31 . 2 226 41 GLN HG3 H 2.50 . 2 227 41 GLN HE21 H 6.84 . 2 228 41 GLN HE22 H 7.78 . 2 229 42 SER H H 8.52 . 1 230 42 SER HA H 4.17 . 1 231 42 SER HB2 H 3.86 . 2 232 42 SER HB3 H 3.90 . 2 233 43 ASP H H 7.85 . 1 234 43 ASP HA H 4.50 . 1 235 43 ASP HB2 H 2.42 . 2 236 43 ASP HB3 H 2.85 . 2 237 44 ARG H H 8.59 . 1 238 44 ARG HA H 3.93 . 1 239 44 ARG HB2 H 1.92 . 2 240 44 ARG HB3 H 2.05 . 2 241 44 ARG HG2 H 1.59 . 2 242 44 ARG HG3 H 1.70 . 2 243 44 ARG HD2 H 3.19 . 2 244 44 ARG HD3 H 3.43 . 2 245 44 ARG HE H 8.43 . 1 246 44 ARG HH11 H 6.91 . 1 247 44 ARG HH12 H 6.91 . 1 248 45 GLN H H 8.30 . 1 249 45 GLN HA H 3.83 . 1 250 45 GLN HB2 H 2.00 . 2 251 45 GLN HB3 H 2.14 . 2 252 45 GLN HG2 H 2.56 . 1 253 45 GLN HG3 H 2.56 . 1 254 45 GLN HE21 H 6.96 . 2 255 45 GLN HE22 H 7.68 . 2 256 46 SER H H 8.16 . 1 257 46 SER HA H 4.33 . 1 258 46 SER HB2 H 3.99 . 2 259 46 SER HB3 H 4.11 . 2 260 47 ALA H H 8.65 . 1 261 47 ALA HA H 3.76 . 1 262 47 ALA HB H 1.40 . 1 263 48 CYS H H 8.00 . 1 264 48 CYS HB2 H 2.69 . 2 265 49 ASN H H 8.27 . 1 266 49 ASN HA H 4.48 . 1 267 49 ASN HB2 H 2.76 . 2 268 49 ASN HB3 H 2.88 . 2 269 49 ASN HD21 H 7.12 . 2 270 49 ASN HD22 H 7.29 . 2 271 50 CYS H H 8.66 . 1 272 50 CYS HA H 4.56 . 1 273 50 CYS HB2 H 3.21 . 2 274 50 CYS HB3 H 2.99 . 2 275 51 LEU H H 8.39 . 1 276 51 LEU HA H 3.99 . 1 277 51 LEU HB2 H 1.84 . 2 278 51 LEU HB3 H 2.09 . 2 279 51 LEU HG H 1.56 . 1 280 51 LEU HD1 H 0.71 . 2 281 51 LEU HD2 H 0.78 . 2 282 52 LYS H H 8.38 . 1 283 52 LYS HA H 4.17 . 1 284 52 LYS HB2 H 1.96 . 2 285 52 LYS HB3 H 2.05 . 2 286 52 LYS HG2 H 1.38 . 2 287 52 LYS HG3 H 1.85 . 2 288 52 LYS HD2 H 1.90 . 1 289 52 LYS HD3 H 1.90 . 1 290 52 LYS HE2 H 3.12 . 1 291 52 LYS HE3 H 3.12 . 1 292 53 GLY H H 7.81 . 1 293 53 GLY HA2 H 3.82 . 2 294 53 GLY HA3 H 3.95 . 2 295 54 ILE H H 7.81 . 1 296 54 ILE HA H 3.73 . 1 297 54 ILE HB H 1.90 . 1 298 54 ILE HG2 H 0.83 . 1 299 54 ILE HG12 H 1.11 . 2 300 54 ILE HG13 H 1.76 . 2 301 54 ILE HD1 H 0.77 . 1 302 55 ALA H H 8.12 . 1 303 55 ALA HA H 4.47 . 1 304 55 ALA HB H 1.40 . 1 305 56 ARG H H 7.68 . 1 306 56 ARG HA H 3.99 . 1 307 56 ARG HB2 H 1.94 . 1 308 56 ARG HB3 H 1.94 . 1 309 56 ARG HG2 H 1.75 . 1 310 56 ARG HG3 H 1.75 . 1 311 56 ARG HD2 H 3.25 . 1 312 56 ARG HD3 H 3.25 . 1 313 56 ARG HE H 7.29 . 1 314 57 GLY H H 7.54 . 1 315 57 GLY HA2 H 4.26 . 2 316 57 GLY HA3 H 3.77 . 2 317 58 ILE H H 7.25 . 1 318 58 ILE HA H 4.13 . 1 319 58 ILE HB H 1.95 . 1 320 58 ILE HG2 H 0.78 . 1 321 58 ILE HG12 H 1.14 . 2 322 58 ILE HG13 H 1.65 . 2 323 58 ILE HD1 H 0.71 . 1 324 59 HIS H H 8.71 . 1 325 59 HIS HA H 4.58 . 1 326 59 HIS HB2 H 3.20 . 1 327 59 HIS HB3 H 3.20 . 1 328 59 HIS HD2 H 7.32 . 1 329 59 HIS HE1 H 8.59 . 1 330 60 ASN H H 8.63 . 1 331 60 ASN HA H 4.48 . 1 332 60 ASN HB2 H 2.79 . 2 333 60 ASN HB3 H 2.87 . 2 334 60 ASN HD21 H 6.78 . 2 335 60 ASN HD22 H 7.50 . 2 336 61 LEU H H 7.54 . 1 337 61 LEU HA H 3.84 . 1 338 61 LEU HB2 H 1.49 . 2 339 61 LEU HB3 H 1.73 . 2 340 61 LEU HG H 1.39 . 1 341 61 LEU HD1 H 0.78 . 2 342 61 LEU HD2 H 0.87 . 2 343 62 ASN H H 8.99 . 1 344 62 ASN HA H 4.78 . 1 345 62 ASN HB2 H 2.48 . 2 346 62 ASN HB3 H 2.82 . 2 347 62 ASN HD21 H 7.47 . 2 348 62 ASN HD22 H 6.85 . 2 349 63 GLU H H 8.71 . 1 350 63 GLU HA H 3.87 . 1 351 63 GLU HB2 H 2.08 . 2 352 63 GLU HB3 H 1.99 . 2 353 63 GLU HG2 H 2.27 . 2 354 63 GLU HG3 H 2.34 . 2 355 64 ASP H H 8.06 . 1 356 64 ASP HA H 4.37 . 1 357 64 ASP HB2 H 2.67 . 2 358 64 ASP HB3 H 2.79 . 2 359 65 ASN H H 8.19 . 1 360 65 ASN HA H 4.14 . 1 361 65 ASN HB2 H 1.10 . 2 362 65 ASN HB3 H 2.41 . 2 363 65 ASN HD21 H 6.78 . 2 364 65 ASN HD22 H 6.93 . 2 365 66 ALA H H 8.15 . 1 366 66 ALA HA H 3.87 . 1 367 66 ALA HB H 0.98 . 1 368 67 ARG H H 8.38 . 1 369 67 ARG HA H 4.06 . 1 370 67 ARG HB2 H 1.95 . 2 371 67 ARG HB3 H 2.06 . 2 372 67 ARG HG2 H 1.86 . 2 373 67 ARG HG3 H 1.75 . 2 374 67 ARG HD2 H 3.24 . 1 375 67 ARG HD3 H 3.24 . 1 376 67 ARG HE H 7.38 . 1 377 67 ARG HH11 H 8.76 . 1 378 67 ARG HH12 H 8.76 . 1 379 68 SER H H 7.70 . 1 380 68 SER HA H 4.49 . 1 381 68 SER HB2 H 4.08 . 2 382 68 SER HB3 H 4.33 . 2 383 69 ILE H H 7.38 . 1 384 69 ILE HA H 3.79 . 1 385 69 ILE HB H 2.17 . 1 386 69 ILE HG2 H 0.98 . 1 387 69 ILE HG12 H 0.99 . 2 388 69 ILE HG13 H 2.50 . 2 389 69 ILE HD1 H 1.11 . 1 390 70 PRO HA H 4.29 . 1 391 70 PRO HB2 H 2.16 . 1 392 70 PRO HB3 H 2.16 . 1 393 70 PRO HG2 H 1.74 . 2 394 70 PRO HG3 H 2.31 . 2 395 70 PRO HD2 H 3.75 . 1 396 70 PRO HD3 H 3.75 . 1 397 71 PRO HA H 4.39 . 1 398 71 PRO HB2 H 1.98 . 2 399 71 PRO HB3 H 2.27 . 2 400 71 PRO HG2 H 2.15 . 2 401 71 PRO HG3 H 2.25 . 2 402 71 PRO HD2 H 3.58 . 2 403 71 PRO HD3 H 3.65 . 2 404 72 LYS H H 8.13 . 1 405 72 LYS HA H 4.13 . 1 406 72 LYS HB2 H 1.93 . 1 407 72 LYS HB3 H 1.93 . 1 408 72 LYS HG2 H 1.50 . 2 409 72 LYS HG3 H 1.75 . 2 410 72 LYS HD2 H 1.64 . 1 411 72 LYS HD3 H 1.64 . 1 412 72 LYS HE2 H 3.04 . 2 413 72 LYS HE3 H 3.10 . 2 414 73 CYS H H 8.24 . 1 415 73 CYS HA H 4.85 . 1 416 73 CYS HB2 H 2.82 . 2 417 73 CYS HB3 H 2.98 . 2 418 74 GLY H H 7.91 . 1 419 74 GLY HA2 H 3.80 . 2 420 74 GLY HA3 H 3.98 . 2 421 75 VAL H H 8.12 . 1 422 75 VAL HA H 4.08 . 1 423 75 VAL HB H 1.54 . 1 424 75 VAL HG1 H 0.55 . 2 425 75 VAL HG2 H 0.66 . 2 426 76 ASN H H 8.47 . 1 427 76 ASN HA H 4.59 . 1 428 76 ASN HB2 H 2.57 . 2 429 76 ASN HB3 H 2.74 . 2 430 76 ASN HD21 H 6.80 . 2 431 76 ASN HD22 H 7.45 . 2 432 77 LEU H H 8.81 . 1 433 77 LEU HA H 4.56 . 1 434 77 LEU HB2 H 1.06 . 1 435 77 LEU HB3 H 1.06 . 1 436 77 LEU HD1 H 0.65 . 2 437 77 LEU HD2 H 0.78 . 2 438 78 PRO HA H 4.63 . 1 439 78 PRO HB2 H 2.22 . 2 440 78 PRO HB3 H 2.16 . 2 441 78 PRO HG2 H 1.93 . 2 442 78 PRO HG3 H 2.32 . 2 443 78 PRO HD2 H 3.37 . 2 444 78 PRO HD3 H 3.87 . 2 445 79 TYR H H 6.63 . 1 446 79 TYR HA H 4.74 . 1 447 79 TYR HB2 H 3.08 . 1 448 79 TYR HB3 H 3.08 . 1 449 79 TYR HD1 H 6.74 . 1 450 79 TYR HD2 H 6.74 . 1 451 79 TYR HE1 H 6.63 . 1 452 79 TYR HE2 H 6.63 . 1 453 80 THR H H 8.12 . 1 454 80 THR HA H 4.62 . 1 455 80 THR HB H 4.33 . 1 456 80 THR HG2 H 1.32 . 1 457 81 ILE H H 8.68 . 1 458 81 ILE HA H 3.85 . 1 459 81 ILE HD1 H 0.84 . 1 460 82 SER H H 6.98 . 1 461 82 SER HA H 4.55 . 1 462 82 SER HB2 H 3.92 . 1 463 82 SER HB3 H 3.92 . 1 464 83 LEU H H 9.03 . 1 465 83 LEU HA H 4.30 . 1 466 83 LEU HB2 H 1.60 . 2 467 83 LEU HB3 H 1.67 . 2 468 83 LEU HG H 1.61 . 1 469 83 LEU HD1 H 0.85 . 2 470 83 LEU HD2 H 0.92 . 2 471 84 ASN H H 8.28 . 1 472 84 ASN HA H 4.86 . 1 473 84 ASN HB2 H 2.56 . 2 474 84 ASN HB3 H 2.88 . 2 475 84 ASN HD21 H 6.86 . 2 476 84 ASN HD22 H 7.52 . 2 477 85 ILE H H 7.20 . 1 478 85 ILE HA H 4.08 . 1 479 85 ILE HB H 1.83 . 1 480 85 ILE HG2 H 0.89 . 1 481 85 ILE HG12 H 1.11 . 2 482 85 ILE HG13 H 1.43 . 2 483 85 ILE HD1 H 0.78 . 1 484 86 ASP H H 8.31 . 1 485 86 ASP HA H 4.77 . 1 486 86 ASP HB2 H 2.57 . 2 487 86 ASP HB3 H 2.88 . 2 488 87 CYS H H 8.60 . 1 489 87 CYS HA H 4.66 . 1 490 87 CYS HB2 H 2.86 . 2 491 87 CYS HB3 H 3.31 . 2 492 88 SER H H 8.60 . 1 493 88 SER HA H 4.33 . 1 494 88 SER HB2 H 3.92 . 2 495 88 SER HB3 H 4.03 . 2 496 89 ARG H H 7.47 . 1 497 89 ARG HA H 4.58 . 1 498 89 ARG HB2 H 1.66 . 2 499 89 ARG HB3 H 2.14 . 2 500 89 ARG HG2 H 1.52 . 2 501 89 ARG HG3 H 1.65 . 2 502 89 ARG HD2 H 3.18 . 1 503 89 ARG HD3 H 3.18 . 1 504 89 ARG HE H 7.12 . 1 505 90 VAL H H 6.76 . 1 506 90 VAL HA H 4.20 . 1 507 90 VAL HB H 2.33 . 1 508 90 VAL HG1 H 0.90 . 1 509 90 VAL HG2 H 0.90 . 1 stop_ save_