data_4383 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemicals Shift Assignments for Wheat ns-LTP Complexed with Prostaglandin B2. ; _BMRB_accession_number 4383 _BMRB_flat_file_name bmr4383.str _Entry_type original _Submission_date 1999-08-27 _Accession_date 1999-09-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . 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_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 509 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-29 original author . stop_ _Original_release_date 2000-06-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _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 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1117 _Page_last 1124 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_wheat_ns-LTP _Saveframe_category molecular_system _Mol_system_name 'wheat ns-LTP' _Abbreviation_common 'wheat ns-LTP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'wheat ns-LTP' $wheat_ns-LTP 'Prostaglandin B2' $E2P stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . 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' _Abbreviation_common 'wheat ns-LTP' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # 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 . _Sequence_homology_query_revised_last_date 2015-06-02 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 BMRB 16415 ns-LTP 100.00 90 100.00 100.00 1.00e-56 BMRB 2065 "phospholipid transfer protein" 100.00 90 100.00 100.00 1.00e-56 PDB 1BWO "The Crystal Structure Of Wheat Non-Specific Transfer Protein Complexed With Two Molecules Of Phospholipid At 2.1 A Resolution" 100.00 90 100.00 100.00 1.00e-56 PDB 1CZ2 "Solution Structure Of Wheat Ns-Ltp Complexed With Prostaglandin B2" 98.89 90 100.00 100.00 4.70e-56 PDB 1GH1 "Nmr Structures Of Wheat Nonspecific Lipid Transfer Protein" 100.00 90 100.00 100.00 1.00e-56 EMBL CAA45210 "lipid transfer protein, partial [Triticum turgidum subsp. durum]" 100.00 113 100.00 100.00 5.60e-58 EMBL CAH69187 "type 1 non specific lipid transfer protein precursor [Triticum aestivum]" 100.00 116 100.00 100.00 3.52e-58 GB AAB22334 "non-specific phospholipid transfer protein, nsPLTP [Tricum aestivum=wheat, var. Camp Remy, seeds, Peptide, 90 aa] [Triticum aes" 100.00 90 100.00 100.00 1.00e-56 GB AAN75627 "lipid transfer protein 1 precursor [Triticum aestivum]" 100.00 116 100.00 100.00 3.52e-58 PIR S22528 "lipid transfer protein precursor - durum wheat (fragment) [Triticum turgidum subsp. durum]" 100.00 113 100.00 100.00 5.60e-58 PRF 1814270A "phospholipid transfer protein [Triticum aestivum]" 100.00 90 100.00 100.00 1.00e-56 SP P24296 "RecName: Full=Non-specific lipid-transfer protein; Short=LTP; AltName: Full=Phospholipid transfer protein; Short=PLTP; AltName:" 100.00 113 100.00 100.00 5.60e-58 stop_ save_ ############# # Ligands # ############# save_E2P _Saveframe_category ligand _Mol_type non-polymer _Name_common "E2P (PROSTAGLANDIN B2)" _BMRB_code . _PDB_code E2P _Molecular_mass 334.450 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:06:10 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? O12 O12 O . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? O21 O21 O . 0 . ? O20 O20 O . 0 . ? H13 H13 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H6 H6 H . 0 . ? HO6 HO6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H78 H78 H . 0 . ? H79 H79 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 H13 ? ? SING C1 H11 ? ? SING C1 H12 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 O6 ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING O6 HO6 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 C9 ? ? SING C8 H8 ? ? SING C9 C10 ? ? DOUB C9 C13 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H78 ? ? SING C11 H79 ? ? DOUB C12 O12 ? ? SING C12 C13 ? ? SING C13 C14 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? DOUB C15 C16 ? ? SING C15 H15 ? ? SING C16 C17 ? ? SING C16 H16 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C18 C19 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C19 C20 ? ? SING C19 H191 ? ? SING C19 H192 ? ? DOUB C20 O21 ? ? SING C20 O20 ? ? SING O20 HXT ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $wheat_ns-LTP . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . 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 _Details . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 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) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . 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' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _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_