data_6089 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments of non-specific Lipid Transfer Protein 1 Isolated from Seeds of Mung Bean ; _BMRB_accession_number 6089 _BMRB_flat_file_name bmr6089.str _Entry_type original _Submission_date 2004-02-03 _Accession_date 2004-02-03 _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 Yu-Nan Liu . . 2 Shang-Te Hsu . . 3 Dharmaraj Samuel . . 4 Ku-Feng Lin . . 5 Alexandre Bonvin M.J.J. . 6 Ping-Chiang Lyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 476 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-05-26 original BMRB . stop_ _Original_release_date 2004-02-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Soluting the molecular structure of mung bean lipid transfer protein 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15823028 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Ku-Feng . . 2 Liu Yu-Nan . . 3 Hsu Shang-Te . . 4 Samuel Dharmaraj . . 5 Cheng C. S. . 6 Bonvin Alexandre M.J.J. . 7 Lyu Ping-Chiang . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5703 _Page_last 5712 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_ns-LTP1 _Saveframe_category molecular_system _Mol_system_name 'Lipid transfer protein 1' _Abbreviation_common ns-LTP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ns-LTP1 $ns-LTP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Lipid transfer' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ns-LTP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'non-specific lipid transfer protein 1' _Abbreviation_common nsLTP1 _Molecular_mass 9290 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MTCGQVQGNLAQCIGFLQKG GVVPPSCCTGVKNILNSSRT TADRRAVCSCLKAAAGAVRG INPNNAEALPGKCGVNIPYK ISTSTNCNSIN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 CYS 4 GLY 5 GLN 6 VAL 7 GLN 8 GLY 9 ASN 10 LEU 11 ALA 12 GLN 13 CYS 14 ILE 15 GLY 16 PHE 17 LEU 18 GLN 19 LYS 20 GLY 21 GLY 22 VAL 23 VAL 24 PRO 25 PRO 26 SER 27 CYS 28 CYS 29 THR 30 GLY 31 VAL 32 LYS 33 ASN 34 ILE 35 LEU 36 ASN 37 SER 38 SER 39 ARG 40 THR 41 THR 42 ALA 43 ASP 44 ARG 45 ARG 46 ALA 47 VAL 48 CYS 49 SER 50 CYS 51 LEU 52 LYS 53 ALA 54 ALA 55 ALA 56 GLY 57 ALA 58 VAL 59 ARG 60 GLY 61 ILE 62 ASN 63 PRO 64 ASN 65 ASN 66 ALA 67 GLU 68 ALA 69 LEU 70 PRO 71 GLY 72 LYS 73 CYS 74 GLY 75 VAL 76 ASN 77 ILE 78 PRO 79 TYR 80 LYS 81 ILE 82 SER 83 THR 84 SER 85 THR 86 ASN 87 CYS 88 ASN 89 SER 90 ILE 91 ASN stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1SIY 'Nmr Structure Of Mung Bean Non-Specific Lipid Transfer Protein 1' 100.00 91 100.00 100.00 3.09e-44 SWISS-PROT P83434 'Non-specific lipid-transfer protein 1 (NS-LTP1) (LTP 1)' 100.00 91 100.00 100.00 3.09e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $ns-LTP1 'Mung bean' 157791 Eukaryota Viridiplantae Vigna radiata seed 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 _Details $ns-LTP1 'purified from the natural source' . . . . . ; Isolation from the seeds of Vigna radiata var. radiate, and purification by S25-Sepharose cation exchange and RP-HPLC. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP1 3 mM . stop_ save_ ############################ # Computer software used # ############################ save_Xwin-nmr _Saveframe_category software _Name Xwin-nmr _Version 2.1 loop_ _Task 'Data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label . save_ save_1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Experiment-condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.2 pH temperature 298 1 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 TSP H 1 'methyl protons' ppm 0.0 internal direct . internal . 1.0 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_ _Experiment_label '1H NOESY' '1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Experiment-condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ns-LTP1 _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 MET HA H 4.404 0.005 1 2 . 1 MET HB2 H 2.321 0.005 1 3 . 1 MET HB3 H 2.15 0.005 1 4 . 1 MET HG2 H 2.894 0.005 1 5 . 1 MET HG3 H 2.738 0.005 1 6 . 1 MET HE H 1.277 0.005 1 7 . 2 THR H H 8.972 0.005 1 8 . 2 THR HA H 4.771 0.005 1 9 . 2 THR HB H 4.878 0.005 1 10 . 2 THR HG2 H 1.494 0.005 1 11 . 3 CYS H H 9.702 0.005 1 12 . 3 CYS HA H 4.788 0.005 1 13 . 3 CYS HB2 H 3.153 0.005 1 14 . 3 CYS HB3 H 3.594 0.005 1 15 . 4 GLY H H 9.044 0.005 1 16 . 4 GLY HA2 H 4.116 0.005 1 17 . 4 GLY HA3 H 4.042 0.005 1 18 . 5 GLN H H 8.027 0.005 1 19 . 5 GLN HA H 4.401 0.005 1 20 . 5 GLN HB2 H 2.17 0.005 1 21 . 5 GLN HB3 H 2.17 0.005 1 22 . 5 GLN HG2 H 2.619 0.005 1 23 . 5 GLN HG3 H 2.619 0.005 1 24 . 5 GLN HE21 H 7.778 0.005 1 25 . 5 GLN HE22 H 7.082 0.005 1 26 . 6 VAL H H 8.518 0.005 1 27 . 6 VAL HA H 3.765 0.005 1 28 . 6 VAL HB H 2.639 0.005 1 29 . 6 VAL HG1 H 1.278 0.005 1 30 . 6 VAL HG2 H 0.994 0.005 1 31 . 7 GLN H H 8.689 0.005 1 32 . 7 GLN HA H 3.897 0.005 1 33 . 7 GLN HB2 H 2.342 0.005 1 34 . 7 GLN HB3 H 2.469 0.005 1 35 . 7 GLN HG2 H 2.652 0.005 1 36 . 7 GLN HG3 H 2.652 0.005 1 37 . 8 GLY H H 8.439 0.005 1 38 . 8 GLY HA2 H 4.181 0.005 1 39 . 8 GLY HA3 H 4.111 0.005 1 40 . 9 ASN H H 7.904 0.005 1 41 . 9 ASN HA H 4.833 0.005 1 42 . 9 ASN HB2 H 2.947 0.005 1 43 . 9 ASN HB3 H 2.913 0.005 1 44 . 9 ASN HD21 H 7.59 0.005 1 45 . 9 ASN HD22 H 7.048 0.005 1 46 . 10 LEU H H 7.957 0.005 1 47 . 10 LEU HA H 4.533 0.005 1 48 . 10 LEU HB2 H 1.773 0.005 1 49 . 10 LEU HB3 H 1.773 0.005 1 50 . 10 LEU HG H 1.954 0.005 1 51 . 10 LEU HD1 H 0.823 0.005 1 52 . 10 LEU HD2 H 0.823 0.005 1 53 . 11 ALA H H 7.673 0.005 1 54 . 11 ALA HA H 4.312 0.005 1 55 . 11 ALA HB H 1.785 0.005 1 56 . 12 GLN H H 8.798 0.005 1 57 . 12 GLN HA H 4.631 0.005 1 58 . 12 GLN HB2 H 2.005 0.005 1 59 . 12 GLN HB3 H 2.005 0.005 1 60 . 12 GLN HG2 H 2.636 0.005 1 61 . 12 GLN HG3 H 2.567 0.005 1 62 . 13 CYS H H 8.835 0.005 1 63 . 13 CYS HA H 4.958 0.005 1 64 . 13 CYS HB2 H 3.375 0.005 1 65 . 13 CYS HB3 H 3.337 0.005 1 66 . 14 ILE H H 7.475 0.005 1 67 . 14 ILE HA H 3.714 0.005 1 68 . 14 ILE HB H 2.18 0.005 1 69 . 14 ILE HG12 H 1.853 0.005 1 70 . 14 ILE HG13 H 1.667 0.005 1 71 . 14 ILE HG2 H 1.076 0.005 1 72 . 14 ILE HD1 H 1.018 0.005 1 73 . 15 GLY H H 8.696 0.005 1 74 . 15 GLY HA2 H 4.098 0.005 1 75 . 15 GLY HA3 H 4.123 0.005 1 76 . 16 PHE H H 8.907 0.005 1 77 . 16 PHE HA H 4.538 0.005 1 78 . 16 PHE HB2 H 3.539 0.005 1 79 . 16 PHE HB3 H 3.165 0.005 1 80 . 16 PHE HD1 H 7.015 0.005 3 81 . 16 PHE HE1 H 7.529 0.005 3 82 . 16 PHE HZ H 7.327 0.005 1 83 . 17 LEU H H 8.799 0.005 1 84 . 17 LEU HA H 3.854 0.005 1 85 . 17 LEU HB2 H 2.392 0.005 1 86 . 17 LEU HB3 H 2.25 0.005 1 87 . 17 LEU HG H 1.563 0.005 1 88 . 17 LEU HD1 H 1.083 0.005 1 89 . 17 LEU HD2 H 0.989 0.005 1 90 . 18 GLN H H 8.379 0.005 1 91 . 18 GLN HA H 4.686 0.005 1 92 . 18 GLN HB2 H 2.572 0.005 1 93 . 18 GLN HB3 H 2.572 0.005 1 94 . 18 GLN HG2 H 2.694 0.005 1 95 . 18 GLN HG3 H 2.318 0.005 1 96 . 19 LYS H H 8.711 0.005 1 97 . 19 LYS HA H 4.683 0.005 1 98 . 19 LYS HB2 H 2.09 0.005 1 99 . 19 LYS HB3 H 2.09 0.005 1 100 . 19 LYS HG2 H 2.021 0.005 1 101 . 19 LYS HG3 H 2.021 0.005 1 102 . 19 LYS HD2 H 1.646 0.005 1 103 . 19 LYS HD3 H 1.646 0.005 1 104 . 19 LYS HE2 H 3.19 0.005 1 105 . 19 LYS HE3 H 3.19 0.005 1 106 . 19 LYS HZ H 7.351 0.005 1 107 . 20 GLY H H 8.947 0.005 1 108 . 20 GLY HA2 H 4.094 0.005 1 109 . 20 GLY HA3 H 3.167 0.005 1 110 . 21 GLY H H 8.767 0.005 1 111 . 21 GLY HA2 H 4.563 0.005 1 112 . 21 GLY HA3 H 3.909 0.005 1 113 . 22 VAL H H 8.581 0.005 1 114 . 22 VAL HA H 4.144 0.005 1 115 . 22 VAL HB H 2.16 0.005 1 116 . 22 VAL HG1 H 1.171 0.005 1 117 . 22 VAL HG2 H 1.057 0.005 1 118 . 23 VAL H H 8.7 0.005 1 119 . 23 VAL HA H 4.11 0.005 1 120 . 23 VAL HB H 1.674 0.005 1 121 . 23 VAL HG1 H 0.711 0.005 1 122 . 23 VAL HG2 H 0.089 0.005 1 123 . 24 PRO HA H 4.983 0.005 1 124 . 24 PRO HB2 H 2.73 0.005 1 125 . 24 PRO HB3 H 2.09 0.005 1 126 . 24 PRO HG2 H 2.402 0.005 1 127 . 24 PRO HG3 H 2.508 0.005 1 128 . 24 PRO HD2 H 3.716 0.005 1 129 . 24 PRO HD3 H 4.548 0.005 1 130 . 25 PRO HA H 4.437 0.005 1 131 . 25 PRO HB2 H 2.257 0.005 1 132 . 25 PRO HB3 H 2.453 0.005 1 133 . 25 PRO HG2 H 2.399 0.005 1 134 . 25 PRO HG3 H 2.259 0.005 1 135 . 25 PRO HD2 H 4.085 0.005 1 136 . 25 PRO HD3 H 4.157 0.005 1 137 . 26 SER H H 8.654 0.005 1 138 . 26 SER HA H 4.426 0.005 1 139 . 26 SER HB2 H 4.031 0.005 1 140 . 26 SER HB3 H 4.105 0.005 1 141 . 27 CYS H H 7.907 0.005 1 142 . 27 CYS HA H 4.833 0.005 1 143 . 27 CYS HB2 H 3.534 0.005 1 144 . 27 CYS HB3 H 3.115 0.005 1 145 . 28 CYS H H 7.224 0.005 1 146 . 28 CYS HA H 4.83 0.005 1 147 . 28 CYS HB2 H 3.26 0.005 1 148 . 28 CYS HB3 H 3.101 0.005 1 149 . 29 THR H H 8.847 0.005 1 150 . 29 THR HA H 4.037 0.005 1 151 . 29 THR HB H 4.34 0.005 1 152 . 29 THR HG2 H 1.423 0.005 1 153 . 30 GLY H H 7.78 0.005 1 154 . 30 GLY HA2 H 4.65 0.005 1 155 . 30 GLY HA3 H 4.222 0.005 1 156 . 31 VAL H H 8.695 0.005 1 157 . 31 VAL HA H 3.647 0.005 1 158 . 31 VAL HB H 2.391 0.005 1 159 . 31 VAL HG1 H 1.194 0.005 1 160 . 31 VAL HG2 H 0.939 0.005 1 161 . 32 LYS H H 8.553 0.005 1 162 . 32 LYS HA H 3.988 0.005 1 163 . 32 LYS HB2 H 2.062 0.005 1 164 . 32 LYS HB3 H 2.062 0.005 1 165 . 32 LYS HG2 H 1.716 0.005 1 166 . 32 LYS HG3 H 1.716 0.005 1 167 . 32 LYS HD2 H 1.533 0.005 1 168 . 32 LYS HD3 H 1.533 0.005 1 169 . 32 LYS HE2 H 3.044 0.005 1 170 . 32 LYS HE3 H 3.044 0.005 1 171 . 33 ASN H H 8.481 0.005 1 172 . 33 ASN HA H 4.616 0.005 1 173 . 33 ASN HB2 H 3.28 0.005 1 174 . 33 ASN HB3 H 2.919 0.005 1 175 . 34 ILE H H 8.19 0.005 1 176 . 34 ILE HA H 3.888 0.005 1 177 . 34 ILE HB H 2.266 0.005 1 178 . 34 ILE HG12 H 2.086 0.005 1 179 . 34 ILE HG13 H 2.086 0.005 1 180 . 34 ILE HG2 H 1.082 0.005 1 181 . 34 ILE HD1 H 1.272 0.005 1 182 . 35 LEU H H 8.451 0.005 1 183 . 35 LEU HA H 4.38 0.005 1 184 . 35 LEU HB2 H 2.015 0.005 1 185 . 35 LEU HB3 H 1.939 0.005 1 186 . 35 LEU HG H 1.805 0.005 1 187 . 35 LEU HD1 H 0.988 0.005 1 188 . 35 LEU HD2 H 1.063 0.005 1 189 . 36 ASN H H 8.839 0.005 1 190 . 36 ASN HA H 4.914 0.005 1 191 . 36 ASN HB2 H 3.131 0.005 1 192 . 36 ASN HB3 H 3.131 0.005 1 193 . 37 SER H H 7.715 0.005 1 194 . 37 SER HA H 4.637 0.005 1 195 . 37 SER HB2 H 4.33 0.005 1 196 . 37 SER HB3 H 4.224 0.005 1 197 . 38 SER H H 7.594 0.005 1 198 . 38 SER HA H 4.795 0.005 1 199 . 38 SER HB2 H 4.188 0.005 1 200 . 38 SER HB3 H 4.006 0.005 1 201 . 39 ARG H H 9.121 0.005 1 202 . 39 ARG HA H 4.719 0.005 1 203 . 39 ARG HB2 H 2.065 0.005 1 204 . 39 ARG HB3 H 2.258 0.005 1 205 . 39 ARG HG2 H 1.929 0.005 1 206 . 39 ARG HG3 H 1.854 0.005 1 207 . 39 ARG HD2 H 3.448 0.005 1 208 . 39 ARG HD3 H 3.448 0.005 1 209 . 39 ARG HE H 7.4 0.005 1 210 . 40 THR H H 7.806 0.005 1 211 . 40 THR HA H 5.025 0.005 1 212 . 40 THR HB H 4.873 0.005 1 213 . 40 THR HG2 H 1.443 0.005 1 214 . 41 THR H H 9.179 0.005 1 215 . 41 THR HA H 3.998 0.005 1 216 . 41 THR HB H 4.225 0.005 1 217 . 41 THR HG2 H 1.426 0.005 1 218 . 42 ALA H H 8.746 0.005 1 219 . 42 ALA HA H 4.192 0.005 1 220 . 42 ALA HB H 1.61 0.005 1 221 . 43 ASP H H 8.205 0.005 1 222 . 43 ASP HA H 4.686 0.005 1 223 . 43 ASP HB2 H 3.266 0.005 1 224 . 43 ASP HB3 H 3.215 0.005 1 225 . 44 ARG H H 8.596 0.005 1 226 . 44 ARG HA H 4.238 0.005 1 227 . 44 ARG HB2 H 2.318 0.005 1 228 . 44 ARG HB3 H 2 0.005 1 229 . 44 ARG HG2 H 1.886 0.005 1 230 . 44 ARG HG3 H 1.886 0.005 1 231 . 44 ARG HD2 H 3.561 0.005 1 232 . 44 ARG HD3 H 3.561 0.005 1 233 . 45 ARG H H 8.714 0.005 1 234 . 45 ARG HA H 4.05 0.005 1 235 . 45 ARG HB2 H 2.054 0.005 1 236 . 45 ARG HB3 H 2.054 0.005 1 237 . 45 ARG HG2 H 2.022 0.005 1 238 . 45 ARG HG3 H 2.022 0.005 1 239 . 45 ARG HD2 H 3.363 0.005 1 240 . 45 ARG HD3 H 3.363 0.005 1 241 . 45 ARG HE H 7.354 0.005 1 242 . 46 ALA H H 8.148 0.005 1 243 . 46 ALA HA H 4.391 0.005 1 244 . 46 ALA HB H 1.794 0.005 1 245 . 47 VAL H H 8.717 0.005 1 246 . 47 VAL HA H 3.578 0.005 1 247 . 47 VAL HB H 2.259 0.005 1 248 . 47 VAL HG1 H 1.206 0.005 1 249 . 47 VAL HG2 H 1.036 0.005 1 250 . 48 CYS H H 8.035 0.005 1 251 . 48 CYS HA H 4.268 0.005 1 252 . 48 CYS HB2 H 3.531 0.005 1 253 . 48 CYS HB3 H 2.449 0.005 1 254 . 49 SER H H 8.499 0.005 1 255 . 49 SER HA H 4.241 0.005 1 256 . 49 SER HB2 H 4.148 0.005 1 257 . 49 SER HB3 H 4.148 0.005 1 258 . 50 CYS H H 8.567 0.005 1 259 . 50 CYS HA H 4.783 0.005 1 260 . 50 CYS HB2 H 3.289 0.005 1 261 . 50 CYS HB3 H 3.119 0.005 1 262 . 51 LEU H H 9.078 0.005 1 263 . 51 LEU HA H 4.186 0.005 1 264 . 51 LEU HB2 H 2.403 0.005 1 265 . 51 LEU HB3 H 2.403 0.005 1 266 . 51 LEU HG H 1.949 0.005 1 267 . 51 LEU HD1 H 1.617 0.005 1 268 . 51 LEU HD2 H 0.956 0.005 1 269 . 52 LYS H H 8.73 0.005 1 270 . 52 LYS HA H 4.09 0.005 1 271 . 52 LYS HB2 H 2.138 0.005 1 272 . 52 LYS HB3 H 2.138 0.005 1 273 . 52 LYS HG2 H 1.935 0.005 1 274 . 52 LYS HG3 H 1.935 0.005 1 275 . 52 LYS HD2 H 1.566 0.005 1 276 . 52 LYS HD3 H 1.566 0.005 1 277 . 52 LYS HE2 H 3.269 0.005 1 278 . 52 LYS HE3 H 3.269 0.005 1 279 . 52 LYS HZ H 7.585 0.005 1 280 . 53 ALA H H 7.762 0.005 1 281 . 53 ALA HA H 4.368 0.005 1 282 . 53 ALA HB H 1.726 0.005 1 283 . 54 ALA H H 8.396 0.005 1 284 . 54 ALA HA H 4.278 0.005 1 285 . 54 ALA HB H 1.569 0.005 1 286 . 55 ALA H H 8.387 0.005 1 287 . 55 ALA HA H 4.092 0.005 1 288 . 55 ALA HB H 1.495 0.005 1 289 . 56 GLY H H 7.732 0.005 1 290 . 56 GLY HA2 H 4.293 0.005 1 291 . 56 GLY HA3 H 3.957 0.005 1 292 . 57 ALA H H 7.672 0.005 1 293 . 57 ALA HA H 4.235 0.005 1 294 . 57 ALA HB H 1.601 0.005 1 295 . 58 VAL H H 7.587 0.005 1 296 . 58 VAL HA H 4.168 0.005 1 297 . 58 VAL HB H 2.267 0.005 1 298 . 58 VAL HG1 H 1.164 0.005 1 299 . 58 VAL HG2 H 1.063 0.005 1 300 . 59 ARG H H 8.813 0.005 1 301 . 59 ARG HA H 4.363 0.005 1 302 . 59 ARG HB2 H 1.971 0.005 1 303 . 59 ARG HB3 H 1.89 0.005 1 304 . 59 ARG HG2 H 1.809 0.005 1 305 . 59 ARG HG3 H 1.809 0.005 1 306 . 59 ARG HD2 H 3.397 0.005 1 307 . 59 ARG HD3 H 3.397 0.005 1 308 . 59 ARG HE H 7.396 0.005 1 309 . 60 GLY H H 8.985 0.005 1 310 . 60 GLY HA2 H 4.162 0.005 1 311 . 60 GLY HA3 H 3.988 0.005 1 312 . 61 ILE H H 7.721 0.005 1 313 . 61 ILE HA H 3.667 0.005 1 314 . 61 ILE HB H 2.1 0.005 1 315 . 61 ILE HG12 H 2.038 0.005 1 316 . 61 ILE HG13 H 2.038 0.005 1 317 . 61 ILE HG2 H 1.664 0.005 1 318 . 61 ILE HD1 H 1.077 0.005 1 319 . 62 ASN H H 8.295 0.005 1 320 . 62 ASN HA H 5.425 0.005 1 321 . 62 ASN HB2 H 3.364 0.005 1 322 . 62 ASN HB3 H 3.034 0.005 1 323 . 62 ASN HD21 H 7.496 0.005 1 324 . 62 ASN HD22 H 7.075 0.005 1 325 . 63 PRO HA H 4.514 0.005 1 326 . 63 PRO HB2 H 2.679 0.005 1 327 . 63 PRO HB3 H 2.254 0.005 1 328 . 63 PRO HG2 H 2.292 0.005 1 329 . 63 PRO HG3 H 2.292 0.005 1 330 . 63 PRO HD2 H 4.186 0.005 1 331 . 63 PRO HD3 H 4.336 0.005 1 332 . 64 ASN H H 8.43 0.005 1 333 . 64 ASN HA H 4.691 0.005 1 334 . 64 ASN HB2 H 2.93 0.005 1 335 . 64 ASN HB3 H 2.888 0.005 1 336 . 64 ASN HD21 H 7.884 0.005 1 337 . 64 ASN HD22 H 7.276 0.005 1 338 . 65 ASN H H 7.936 0.005 1 339 . 65 ASN HA H 4.716 0.005 1 340 . 65 ASN HB2 H 3.19 0.005 1 341 . 65 ASN HB3 H 2.434 0.005 1 342 . 66 ALA H H 7.711 0.005 1 343 . 66 ALA HA H 4.138 0.005 1 344 . 66 ALA HB H 1.659 0.005 1 345 . 67 GLU H H 7.98 0.005 1 346 . 67 GLU HA H 4.39 0.005 1 347 . 67 GLU HB2 H 2.427 0.005 1 348 . 67 GLU HB3 H 2.427 0.005 1 349 . 67 GLU HG2 H 2.693 0.005 1 350 . 67 GLU HG3 H 2.88 0.005 1 351 . 68 ALA H H 7.646 0.005 1 352 . 68 ALA HA H 4.556 0.005 1 353 . 68 ALA HB H 1.879 0.005 1 354 . 69 LEU H H 7.875 0.005 9 355 . 69 LEU HA H 3.325 0.005 9 356 . 69 LEU HB2 H 3.184 0.005 9 357 . 69 LEU HB3 H 3.184 0.005 9 358 . 69 LEU HG H 1.842 0.005 9 359 . 69 LEU HD1 H 1.742 0.005 9 360 . 69 LEU HD2 H 1.593 0.005 9 361 . 70 PRO HA H 3.962 0.005 1 362 . 70 PRO HB2 H 2.566 0.005 1 363 . 70 PRO HB3 H 2.246 0.005 1 364 . 70 PRO HG2 H 1.804 0.005 1 365 . 70 PRO HG3 H 2.142 0.005 1 366 . 70 PRO HD2 H 4.022 0.005 1 367 . 70 PRO HD3 H 3.91 0.005 1 368 . 71 GLY H H 8.618 0.005 1 369 . 71 GLY HA2 H 4.098 0.005 1 370 . 71 GLY HA3 H 4.098 0.005 1 371 . 72 LYS H H 8.391 0.005 1 372 . 72 LYS HA H 4.353 0.005 1 373 . 72 LYS HB2 H 2.126 0.005 1 374 . 72 LYS HB3 H 2.126 0.005 1 375 . 72 LYS HG2 H 1.84 0.005 1 376 . 72 LYS HG3 H 1.84 0.005 1 377 . 72 LYS HD2 H 1.585 0.005 1 378 . 72 LYS HD3 H 1.739 0.005 1 379 . 72 LYS HE2 H 3.325 0.005 1 380 . 72 LYS HE3 H 3.185 0.005 1 381 . 73 CYS H H 7.886 0.005 1 382 . 73 CYS HA H 5.116 0.005 1 383 . 73 CYS HB2 H 3.342 0.005 1 384 . 73 CYS HB3 H 2.756 0.005 1 385 . 74 GLY H H 8.116 0.005 1 386 . 74 GLY HA2 H 4.196 0.005 1 387 . 74 GLY HA3 H 4.09 0.005 1 388 . 75 VAL H H 8.237 0.005 1 389 . 75 VAL HA H 4.584 0.005 1 390 . 75 VAL HB H 2.041 0.005 1 391 . 75 VAL HG1 H 0.952 0.005 1 392 . 75 VAL HG2 H 0.842 0.005 1 393 . 76 ASN H H 8.61 0.005 1 394 . 76 ASN HA H 4.974 0.005 1 395 . 76 ASN HB2 H 2.832 0.005 1 396 . 76 ASN HB3 H 2.745 0.005 1 397 . 77 ILE H H 8.263 0.005 1 398 . 77 ILE HA H 4.766 0.005 1 399 . 77 ILE HB H 1.604 0.005 1 400 . 77 ILE HG12 H 0.853 0.005 2 401 . 77 ILE HG2 H 0.871 0.005 1 402 . 77 ILE HD1 H 0.566 0.005 1 403 . 78 PRO HA H 4.818 0.005 1 404 . 78 PRO HB2 H 2.488 0.005 1 405 . 78 PRO HB3 H 2.355 0.005 1 406 . 78 PRO HG2 H 2.308 0.005 1 407 . 78 PRO HG3 H 2.038 0.005 1 408 . 78 PRO HD2 H 3.676 0.005 1 409 . 78 PRO HD3 H 3.898 0.005 1 410 . 79 TYR H H 7.712 0.005 1 411 . 79 TYR HA H 4.986 0.005 1 412 . 79 TYR HB2 H 3.159 0.005 1 413 . 79 TYR HB3 H 3.159 0.005 1 414 . 79 TYR HD1 H 6.93 0.005 3 415 . 79 TYR HE1 H 6.847 0.005 3 416 . 80 LYS H H 8.568 0.005 1 417 . 80 LYS HA H 4.685 0.005 1 418 . 80 LYS HB2 H 1.875 0.005 1 419 . 80 LYS HB3 H 1.814 0.005 1 420 . 80 LYS HG2 H 1.659 0.005 1 421 . 80 LYS HG3 H 1.659 0.005 1 422 . 80 LYS HD2 H 1.601 0.005 1 423 . 80 LYS HD3 H 1.601 0.005 1 424 . 81 ILE H H 9.384 0.005 1 425 . 81 ILE HA H 4.188 0.005 1 426 . 81 ILE HB H 2.03 0.005 1 427 . 81 ILE HG12 H 1.95 0.005 2 428 . 81 ILE HG2 H 1.178 0.005 1 429 . 81 ILE HD1 H 0.947 0.005 1 430 . 82 SER H H 7.528 0.005 1 431 . 82 SER HA H 4.87 0.005 1 432 . 82 SER HB2 H 4.138 0.005 1 433 . 82 SER HB3 H 3.729 0.005 1 434 . 83 THR H H 8.913 0.005 1 435 . 83 THR HA H 4.368 0.005 1 436 . 83 THR HB H 4.602 0.005 1 437 . 83 THR HG2 H 1.486 0.005 1 438 . 84 SER H H 8.418 0.005 1 439 . 84 SER HA H 4.745 0.005 1 440 . 84 SER HB2 H 4.135 0.005 1 441 . 84 SER HB3 H 4.026 0.005 1 442 . 85 THR H H 7.452 0.005 1 443 . 85 THR HA H 4.07 0.005 1 444 . 85 THR HB H 4.298 0.005 1 445 . 85 THR HG2 H 1.338 0.005 1 446 . 86 ASN H H 9.058 0.005 1 447 . 86 ASN HA H 5.058 0.005 1 448 . 86 ASN HB2 H 3.289 0.005 1 449 . 86 ASN HB3 H 3.002 0.005 1 450 . 86 ASN HD21 H 7.809 0.005 1 451 . 86 ASN HD22 H 7.198 0.005 1 452 . 87 CYS H H 9.137 0.005 1 453 . 87 CYS HA H 4.518 0.005 1 454 . 87 CYS HB2 H 2.903 0.005 1 455 . 87 CYS HB3 H 3.298 0.005 1 456 . 88 ASN H H 8.299 0.005 1 457 . 88 ASN HA H 4.693 0.005 1 458 . 88 ASN HB2 H 3.027 0.005 1 459 . 88 ASN HB3 H 3.027 0.005 1 460 . 88 ASN HD21 H 7.818 0.005 1 461 . 88 ASN HD22 H 7.186 0.005 1 462 . 89 SER H H 7.652 0.005 1 463 . 89 SER HA H 4.671 0.005 1 464 . 89 SER HB2 H 4.134 0.005 1 465 . 89 SER HB3 H 4.049 0.005 1 466 . 90 ILE H H 7.1 0.005 1 467 . 90 ILE HA H 4.377 0.005 1 468 . 90 ILE HB H 2.149 0.005 1 469 . 90 ILE HG12 H 1.42 0.005 1 470 . 90 ILE HG13 H 1.565 0.005 1 471 . 90 ILE HG2 H 1.111 0.005 1 472 . 90 ILE HD1 H 0.84 0.005 1 473 . 91 ASN H H 8.626 0.005 1 474 . 91 ASN HA H 4.958 0.005 1 475 . 91 ASN HB2 H 3.031 0.005 1 476 . 91 ASN HB3 H 2.88 0.005 1 stop_ save_