data_4290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H Assignment of Antimicrobial Protein Tachycitin. ; _BMRB_accession_number 4290 _BMRB_flat_file_name bmr4290.str _Entry_type original _Submission_date 1999-01-04 _Accession_date 1999-01-06 _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 Suetake Tetsuya . . 2 Tsuda Sakae . . 3 Kawabata Shun-ichiro . . 4 Kawano Keiichi . . 5 Miura Kazunori . . 6 Iwanaga Sadaaki . . 7 Hikichi Kunio . . 8 Nitta Katsutoshi . . 9 Keiichi Kawano . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 436 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-30 original author . stop_ _Original_release_date 2000-10-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chitin-binding Proteins in Invertebrates and Plants Comprise a Common Chitin-binding Structural Motif ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20309732 _PubMed_ID 10770921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suetake Tetsuya . . 2 Tsuda Sakae . . 3 Kawabata Shun-ichiro . . 4 Kawano Keiichi . . 5 Miura Kazunori . . 6 Iwanaga Sadaaki . . 7 Hikichi Kunio . . 8 Nitta Katsutoshi . . 9 Keiichi Kawano . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 275 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17929 _Page_last 17932 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_tachycitin _Saveframe_category molecular_system _Mol_system_name tachycitin _Abbreviation_common tachycitin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tachycitin $tachycitin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'antimicrobial activity' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tachycitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tachycitin _Abbreviation_common tachycitin _Molecular_mass 8364 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; YLAFRCGRYSPCLDDGPNVN LYSCCSFYNCHKCLARLENC PKGLHYNAYLKVCDWPSKAG CTSVNKECHLWKT ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 LEU 3 ALA 4 PHE 5 ARG 6 CYS 7 GLY 8 ARG 9 TYR 10 SER 11 PRO 12 CYS 13 LEU 14 ASP 15 ASP 16 GLY 17 PRO 18 ASN 19 VAL 20 ASN 21 LEU 22 TYR 23 SER 24 CYS 25 CYS 26 SER 27 PHE 28 TYR 29 ASN 30 CYS 31 HIS 32 LYS 33 CYS 34 LEU 35 ALA 36 ARG 37 LEU 38 GLU 39 ASN 40 CYS 41 PRO 42 LYS 43 GLY 44 LEU 45 HIS 46 TYR 47 ASN 48 ALA 49 TYR 50 LEU 51 LYS 52 VAL 53 CYS 54 ASP 55 TRP 56 PRO 57 SER 58 LYS 59 ALA 60 GLY 61 CYS 62 THR 63 SER 64 VAL 65 ASN 66 LYS 67 GLU 68 CYS 69 HIS 70 LEU 71 TRP 72 LYS 73 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 1DQC "Solution Structure Of Tachycitin, An Antimicrobial Protein With Chitin-Binding Function" 100.00 74 100.00 100.00 3.21e-45 DBJ BAA12864 "tachycitin [Tachypleus tridentatus]" 100.00 98 100.00 100.00 1.71e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tachycitin 'Japanese horseshoe crab' 6853 Eukaryota Metazoa Tachypleus tridentatus 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 $tachycitin 'purified from the natural source' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $tachycitin . mM 1.0 2.0 . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name Pipp _Version 4.0.4 loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model Alpha _Field_strength 600 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model Alpha _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.2 0.2 n/a temperature 303 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 0.00 internal direct cylindrical internal parallel_to_Bo 1.0000000 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 tachycitin _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 TYR HA H 4.22 0.03 1 2 . 1 TYR HB2 H 3.10 0.03 1 3 . 1 TYR HB3 H 3.10 0.03 1 4 . 1 TYR HD1 H 7.13 0.03 1 5 . 1 TYR HD2 H 7.13 0.03 1 6 . 1 TYR HE1 H 6.85 0.03 1 7 . 1 TYR HE2 H 6.85 0.03 1 8 . 2 LEU H H 8.35 0.03 1 9 . 2 LEU HA H 4.30 0.03 1 10 . 2 LEU HB2 H 1.44 0.03 1 11 . 2 LEU HB3 H 1.42 0.03 1 12 . 2 LEU HG H 1.48 0.03 1 13 . 2 LEU HD1 H 0.89 0.03 1 14 . 2 LEU HD2 H 0.85 0.03 1 15 . 3 ALA H H 8.21 0.03 1 16 . 3 ALA HA H 4.21 0.03 1 17 . 3 ALA HB H 1.28 0.03 1 18 . 4 PHE H H 8.06 0.03 1 19 . 4 PHE HA H 4.58 0.03 1 20 . 4 PHE HB2 H 3.00 0.03 1 21 . 4 PHE HB3 H 2.89 0.03 1 22 . 4 PHE HD1 H 7.19 0.03 1 23 . 4 PHE HD2 H 7.19 0.03 1 24 . 4 PHE HE1 H 7.31 0.03 1 25 . 4 PHE HE2 H 7.31 0.03 1 26 . 4 PHE HZ H 7.26 0.03 1 27 . 5 ARG H H 8.48 0.03 1 28 . 5 ARG HA H 4.23 0.03 1 29 . 5 ARG HB2 H 1.83 0.03 1 30 . 5 ARG HB3 H 1.80 0.03 1 31 . 5 ARG HG2 H 1.64 0.03 1 32 . 5 ARG HG3 H 1.61 0.03 1 33 . 5 ARG HD2 H 3.16 0.03 1 34 . 5 ARG HD3 H 3.16 0.03 1 35 . 5 ARG HE H 7.13 0.03 1 36 . 6 CYS H H 8.70 0.03 1 37 . 6 CYS HA H 4.95 0.03 1 38 . 6 CYS HB2 H 3.34 0.03 1 39 . 6 CYS HB3 H 2.80 0.03 1 40 . 7 GLY H H 7.94 0.03 1 41 . 7 GLY HA2 H 4.34 0.03 1 42 . 7 GLY HA3 H 3.85 0.03 1 43 . 8 ARG H H 8.41 0.03 1 44 . 8 ARG HA H 3.57 0.03 1 45 . 8 ARG HB2 H 1.41 0.03 1 46 . 8 ARG HB3 H 1.20 0.03 1 47 . 8 ARG HG2 H 0.88 0.03 1 48 . 8 ARG HG3 H 0.84 0.03 1 49 . 8 ARG HD2 H 2.80 0.03 1 50 . 8 ARG HD3 H 2.80 0.03 1 51 . 8 ARG HE H 6.90 0.03 1 52 . 9 TYR H H 8.27 0.03 1 53 . 9 TYR HA H 4.60 0.03 1 54 . 9 TYR HB2 H 3.32 0.03 1 55 . 9 TYR HB3 H 2.77 0.03 1 56 . 9 TYR HD1 H 7.11 0.03 1 57 . 9 TYR HD2 H 7.11 0.03 1 58 . 9 TYR HE1 H 6.82 0.03 1 59 . 9 TYR HE2 H 6.82 0.03 1 60 . 10 SER H H 7.06 0.03 1 61 . 10 SER HA H 4.61 0.03 1 62 . 10 SER HB2 H 3.81 0.03 1 63 . 10 SER HB3 H 3.43 0.03 1 64 . 11 PRO HA H 4.55 0.03 1 65 . 11 PRO HB2 H 1.83 0.03 1 66 . 11 PRO HB3 H 1.40 0.03 1 67 . 11 PRO HG2 H 0.92 0.03 1 68 . 11 PRO HG3 H 0.72 0.03 1 69 . 11 PRO HD2 H 3.55 0.03 1 70 . 11 PRO HD3 H 3.48 0.03 1 71 . 12 CYS H H 8.05 0.03 1 72 . 12 CYS HA H 4.64 0.03 1 73 . 12 CYS HB2 H 3.01 0.03 1 74 . 12 CYS HB3 H 2.87 0.03 1 75 . 13 LEU H H 8.08 0.03 1 76 . 13 LEU HA H 4.18 0.03 1 77 . 13 LEU HB2 H 1.81 0.03 1 78 . 13 LEU HB3 H 1.67 0.03 1 79 . 13 LEU HG H 1.70 0.03 1 80 . 13 LEU HD1 H 0.97 0.03 1 81 . 13 LEU HD2 H 0.86 0.03 1 82 . 14 ASP H H 8.14 0.03 1 83 . 14 ASP HA H 4.67 0.03 1 84 . 14 ASP HB2 H 2.80 0.03 1 85 . 14 ASP HB3 H 2.61 0.03 1 86 . 15 ASP H H 8.58 0.03 1 87 . 15 ASP HA H 4.54 0.03 1 88 . 15 ASP HB2 H 2.61 0.03 1 89 . 15 ASP HB3 H 2.78 0.03 1 90 . 16 GLY H H 9.18 0.03 1 91 . 16 GLY HA2 H 4.60 0.03 1 92 . 16 GLY HA3 H 3.86 0.03 1 93 . 17 PRO HA H 5.20 0.03 1 94 . 17 PRO HB2 H 2.22 0.03 1 95 . 17 PRO HB3 H 1.99 0.03 1 96 . 17 PRO HG2 H 3.78 0.03 1 97 . 17 PRO HG3 H 3.78 0.03 1 98 . 17 PRO HD2 H 3.79 0.03 1 99 . 17 PRO HD3 H 3.79 0.03 1 100 . 18 ASN H H 9.56 0.03 1 101 . 18 ASN HA H 5.11 0.03 1 102 . 18 ASN HB2 H 3.01 0.03 1 103 . 18 ASN HB3 H 2.69 0.03 1 104 . 18 ASN HD21 H 7.71 0.03 1 105 . 18 ASN HD22 H 6.96 0.03 1 106 . 19 VAL H H 8.56 0.03 1 107 . 19 VAL HA H 3.92 0.03 1 108 . 19 VAL HB H 2.23 0.03 1 109 . 19 VAL HG1 H 1.24 0.03 1 110 . 19 VAL HG2 H 1.07 0.03 1 111 . 20 ASN H H 8.78 0.03 1 112 . 20 ASN HA H 5.29 0.03 1 113 . 20 ASN HB2 H 3.41 0.03 1 114 . 20 ASN HB3 H 1.94 0.03 1 115 . 21 LEU H H 9.41 0.03 1 116 . 21 LEU HA H 3.94 0.03 1 117 . 21 LEU HB2 H 1.30 0.03 1 118 . 21 LEU HB3 H 1.12 0.03 1 119 . 21 LEU HG H 1.60 0.03 1 120 . 21 LEU HD1 H 0.83 0.03 1 121 . 21 LEU HD2 H 0.80 0.03 1 122 . 22 TYR H H 7.86 0.03 1 123 . 22 TYR HA H 4.42 0.03 1 124 . 22 TYR HB2 H 3.18 0.03 1 125 . 22 TYR HB3 H 2.63 0.03 1 126 . 22 TYR HD1 H 7.15 0.03 1 127 . 22 TYR HD2 H 7.15 0.03 1 128 . 22 TYR HE1 H 6.89 0.03 1 129 . 22 TYR HE2 H 6.89 0.03 1 130 . 23 SER H H 7.15 0.03 1 131 . 23 SER HA H 4.64 0.03 1 132 . 23 SER HB2 H 3.84 0.03 1 133 . 23 SER HB3 H 3.42 0.03 1 134 . 24 CYS H H 8.04 0.03 1 135 . 24 CYS HA H 5.04 0.03 1 136 . 24 CYS HB2 H 2.43 0.03 1 137 . 24 CYS HB3 H 2.29 0.03 1 138 . 25 CYS H H 8.53 0.03 1 139 . 25 CYS HA H 4.83 0.03 1 140 . 25 CYS HB2 H 3.80 0.03 1 141 . 25 CYS HB3 H 2.94 0.03 1 142 . 26 SER H H 7.53 0.03 1 143 . 26 SER HA H 5.14 0.03 1 144 . 26 SER HB2 H 3.84 0.03 1 145 . 26 SER HB3 H 3.60 0.03 1 146 . 27 PHE H H 8.58 0.03 1 147 . 27 PHE HA H 4.42 0.03 1 148 . 27 PHE HB2 H 2.24 0.03 1 149 . 27 PHE HB3 H 1.75 0.03 1 150 . 27 PHE HD1 H 6.56 0.03 1 151 . 27 PHE HD2 H 6.56 0.03 1 152 . 27 PHE HE1 H 6.96 0.03 1 153 . 27 PHE HE2 H 6.96 0.03 1 154 . 27 PHE HZ H 7.13 0.03 1 155 . 28 TYR H H 8.82 0.03 1 156 . 28 TYR HA H 4.90 0.03 1 157 . 28 TYR HB2 H 2.60 0.03 1 158 . 28 TYR HB3 H 2.35 0.03 1 159 . 28 TYR HD1 H 6.73 0.03 1 160 . 28 TYR HD2 H 6.73 0.03 1 161 . 28 TYR HE1 H 6.80 0.03 1 162 . 28 TYR HE2 H 6.80 0.03 1 163 . 29 ASN H H 9.48 0.03 1 164 . 29 ASN HA H 5.10 0.03 1 165 . 29 ASN HB2 H 3.00 0.03 1 166 . 29 ASN HB3 H 2.51 0.03 1 167 . 29 ASN HD21 H 7.52 0.03 1 168 . 29 ASN HD22 H 6.86 0.03 1 169 . 30 CYS H H 8.65 0.03 1 170 . 30 CYS HA H 5.81 0.03 1 171 . 30 CYS HB2 H 3.92 0.03 1 172 . 30 CYS HB3 H 2.96 0.03 1 173 . 31 HIS H H 8.66 0.03 1 174 . 31 HIS HA H 4.87 0.03 1 175 . 31 HIS HB2 H 3.25 0.03 1 176 . 31 HIS HB3 H 3.12 0.03 1 177 . 31 HIS HD2 H 7.35 0.03 1 178 . 32 LYS H H 9.96 0.03 1 179 . 32 LYS HA H 3.66 0.03 1 180 . 32 LYS HB2 H 1.80 0.03 1 181 . 32 LYS HB3 H 1.58 0.03 1 182 . 32 LYS HG2 H 1.11 0.03 1 183 . 32 LYS HG3 H 1.05 0.03 1 184 . 32 LYS HD3 H 1.54 0.03 1 185 . 32 LYS HE2 H 2.90 0.03 1 186 . 32 LYS HE3 H 2.90 0.03 1 187 . 33 CYS HA H 4.65 0.03 1 188 . 34 LEU H H 8.14 0.03 1 189 . 34 LEU HA H 4.57 0.03 1 190 . 34 LEU HB2 H 1.85 0.03 1 191 . 34 LEU HB3 H 1.81 0.03 1 192 . 34 LEU HG H 1.61 0.03 1 193 . 34 LEU HD1 H 0.99 0.03 1 194 . 34 LEU HD2 H 0.93 0.03 1 195 . 35 ALA H H 8.84 0.03 1 196 . 35 ALA HA H 4.88 0.03 1 197 . 35 ALA HB H 1.23 0.03 1 198 . 36 ARG H H 8.24 0.03 1 199 . 36 ARG HA H 4.70 0.03 1 200 . 36 ARG HB2 H 1.91 0.03 1 201 . 36 ARG HB3 H 1.84 0.03 1 202 . 36 ARG HG2 H 1.65 0.03 1 203 . 36 ARG HG3 H 1.59 0.03 1 204 . 36 ARG HD2 H 3.23 0.03 1 205 . 36 ARG HD3 H 3.23 0.03 1 206 . 36 ARG HE H 7.22 0.03 1 207 . 37 LEU H H 8.84 0.03 1 208 . 37 LEU HA H 4.02 0.03 1 209 . 37 LEU HB2 H 1.55 0.03 1 210 . 37 LEU HB3 H 1.26 0.03 1 211 . 37 LEU HG H 1.09 0.03 1 212 . 37 LEU HD1 H 0.57 0.03 1 213 . 37 LEU HD2 H 0.21 0.03 1 214 . 38 GLU H H 8.76 0.03 1 215 . 38 GLU HA H 4.33 0.03 1 216 . 38 GLU HB2 H 1.09 0.03 1 217 . 38 GLU HB3 H 0.44 0.03 1 218 . 38 GLU HG2 H 1.98 0.03 1 219 . 38 GLU HG3 H 1.98 0.03 1 220 . 39 ASN H H 8.48 0.03 1 221 . 39 ASN HA H 4.73 0.03 1 222 . 39 ASN HB2 H 2.74 0.03 1 223 . 39 ASN HB3 H 2.52 0.03 1 224 . 39 ASN HD21 H 7.45 0.03 1 225 . 39 ASN HD22 H 6.75 0.03 1 226 . 40 CYS H H 8.81 0.03 1 227 . 40 CYS HA H 5.23 0.03 1 228 . 40 CYS HB2 H 2.88 0.03 1 229 . 40 CYS HB3 H 2.84 0.03 1 230 . 41 PRO HA H 4.43 0.03 1 231 . 41 PRO HB2 H 2.43 0.03 1 232 . 41 PRO HB3 H 1.61 0.03 1 233 . 41 PRO HG2 H 2.10 0.03 2 234 . 41 PRO HG3 H 2.06 0.03 2 235 . 41 PRO HD2 H 4.15 0.03 1 236 . 41 PRO HD3 H 3.28 0.03 1 237 . 42 LYS H H 8.32 0.03 1 238 . 42 LYS HA H 3.86 0.03 1 239 . 42 LYS HB2 H 1.75 0.03 1 240 . 42 LYS HB3 H 1.72 0.03 1 241 . 42 LYS HG2 H 1.43 0.03 1 242 . 42 LYS HG3 H 1.35 0.03 1 243 . 42 LYS HD2 H 1.67 0.03 1 244 . 42 LYS HD3 H 1.67 0.03 1 245 . 42 LYS HE2 H 2.96 0.03 1 246 . 42 LYS HE3 H 2.96 0.03 1 247 . 43 GLY H H 8.43 0.03 1 248 . 43 GLY HA2 H 4.27 0.03 1 249 . 43 GLY HA3 H 3.59 0.03 1 250 . 44 LEU H H 7.88 0.03 1 251 . 44 LEU HA H 4.59 0.03 1 252 . 44 LEU HB2 H 1.61 0.03 1 253 . 44 LEU HB3 H 1.36 0.03 1 254 . 44 LEU HG H 1.19 0.03 1 255 . 44 LEU HD1 H 0.41 0.03 1 256 . 44 LEU HD2 H -0.01 0.03 1 257 . 45 HIS H H 9.19 0.03 1 258 . 45 HIS HA H 5.53 0.03 1 259 . 45 HIS HB2 H 3.13 0.03 1 260 . 45 HIS HB3 H 2.79 0.03 1 261 . 45 HIS HD1 H 8.62 0.03 1 262 . 45 HIS HD2 H 7.13 0.03 1 263 . 45 HIS HE1 H 8.30 0.03 1 264 . 46 TYR H H 8.93 0.03 1 265 . 46 TYR HA H 4.21 0.03 1 266 . 46 TYR HB2 H 2.86 0.03 1 267 . 46 TYR HB3 H 2.70 0.03 1 268 . 46 TYR HD1 H 7.16 0.03 1 269 . 46 TYR HD2 H 7.16 0.03 1 270 . 46 TYR HE1 H 6.86 0.03 1 271 . 46 TYR HE2 H 6.86 0.03 1 272 . 47 ASN H H 8.24 0.03 1 273 . 47 ASN HA H 4.82 0.03 1 274 . 47 ASN HB2 H 3.19 0.03 1 275 . 47 ASN HB3 H 2.74 0.03 1 276 . 47 ASN HD21 H 8.25 0.03 1 277 . 47 ASN HD22 H 7.18 0.03 1 278 . 48 ALA H H 8.74 0.03 1 279 . 48 ALA HA H 3.75 0.03 1 280 . 48 ALA HB H 1.37 0.03 1 281 . 49 TYR H H 8.08 0.03 1 282 . 49 TYR HA H 4.35 0.03 1 283 . 49 TYR HB2 H 3.16 0.03 1 284 . 49 TYR HB3 H 3.07 0.03 1 285 . 49 TYR HD1 H 7.17 0.03 1 286 . 49 TYR HD2 H 7.17 0.03 1 287 . 49 TYR HE1 H 6.86 0.03 1 288 . 49 TYR HE2 H 6.86 0.03 1 289 . 50 LEU H H 7.06 0.03 1 290 . 50 LEU HA H 4.08 0.03 1 291 . 50 LEU HB2 H 1.51 0.03 1 292 . 50 LEU HB3 H 1.19 0.03 1 293 . 50 LEU HG H 1.63 0.03 1 294 . 50 LEU HD1 H 0.85 0.03 1 295 . 50 LEU HD2 H 0.77 0.03 1 296 . 51 LYS H H 8.01 0.03 1 297 . 51 LYS HA H 3.74 0.03 1 298 . 51 LYS HB2 H 2.14 0.03 1 299 . 51 LYS HB3 H 1.75 0.03 1 300 . 51 LYS HG2 H 1.26 0.03 1 301 . 51 LYS HG3 H 1.06 0.03 1 302 . 51 LYS HD2 H 1.69 0.03 1 303 . 51 LYS HD3 H 1.63 0.03 1 304 . 51 LYS HE2 H 3.03 0.03 1 305 . 51 LYS HE3 H 3.03 0.03 1 306 . 51 LYS HZ H 7.51 0.03 1 307 . 52 VAL H H 6.86 0.03 1 308 . 52 VAL HA H 4.47 0.03 1 309 . 52 VAL HB H 2.06 0.03 1 310 . 52 VAL HG1 H 0.80 0.03 1 311 . 52 VAL HG2 H 0.63 0.03 1 312 . 53 CYS H H 8.61 0.03 1 313 . 53 CYS HA H 5.22 0.03 1 314 . 53 CYS HB2 H 3.16 0.03 1 315 . 53 CYS HB3 H 2.61 0.03 1 316 . 54 ASP H H 10.00 0.03 1 317 . 54 ASP HA H 4.72 0.03 1 318 . 54 ASP HB2 H 2.63 0.03 1 319 . 54 ASP HB3 H 2.59 0.03 1 320 . 55 TRP H H 8.95 0.03 1 321 . 55 TRP HA H 4.67 0.03 1 322 . 55 TRP HB2 H 3.55 0.03 1 323 . 55 TRP HB3 H 2.83 0.03 1 324 . 55 TRP HD1 H 7.34 0.03 1 325 . 55 TRP HE1 H 10.18 0.03 1 326 . 55 TRP HE3 H 7.60 0.03 1 327 . 55 TRP HZ2 H 7.51 0.03 1 328 . 55 TRP HZ3 H 7.14 0.03 1 329 . 55 TRP HH2 H 7.25 0.03 1 330 . 56 PRO HA H 3.95 0.03 1 331 . 56 PRO HB2 H 1.85 0.03 1 332 . 56 PRO HB3 H 1.63 0.03 1 333 . 56 PRO HG2 H 1.90 0.03 1 334 . 56 PRO HG3 H 0.95 0.03 1 335 . 56 PRO HD2 H 4.28 0.03 1 336 . 56 PRO HD3 H 3.90 0.03 1 337 . 57 SER H H 8.39 0.03 1 338 . 57 SER HA H 4.29 0.03 1 339 . 57 SER HB2 H 3.99 0.03 1 340 . 57 SER HB3 H 3.94 0.03 1 341 . 58 LYS H H 7.82 0.03 1 342 . 58 LYS HA H 4.51 0.03 1 343 . 58 LYS HB2 H 1.97 0.03 1 344 . 58 LYS HB3 H 1.85 0.03 1 345 . 58 LYS HG2 H 1.60 0.03 1 346 . 58 LYS HG3 H 1.44 0.03 1 347 . 58 LYS HD2 H 1.74 0.03 1 348 . 58 LYS HD3 H 1.74 0.03 1 349 . 58 LYS HE2 H 3.00 0.03 1 350 . 58 LYS HE3 H 3.00 0.03 1 351 . 59 ALA H H 7.91 0.03 1 352 . 59 ALA HA H 4.21 0.03 1 353 . 59 ALA HB H 1.48 0.03 1 354 . 60 GLY H H 8.27 0.03 1 355 . 60 GLY HA2 H 3.91 0.03 1 356 . 60 GLY HA3 H 3.88 0.03 1 357 . 61 CYS H H 8.42 0.03 1 358 . 61 CYS HA H 4.70 0.03 1 359 . 61 CYS HB2 H 3.67 0.03 1 360 . 61 CYS HB3 H 3.13 0.03 1 361 . 62 THR H H 8.99 0.03 1 362 . 62 THR HA H 4.54 0.03 1 363 . 62 THR HB H 4.54 0.03 1 364 . 62 THR HG2 H 1.28 0.03 1 365 . 63 SER H H 7.67 0.03 1 366 . 63 SER HA H 4.43 0.03 1 367 . 63 SER HB2 H 3.80 0.03 1 368 . 63 SER HB3 H 3.66 0.03 1 369 . 64 VAL H H 8.13 0.03 1 370 . 64 VAL HA H 3.96 0.03 1 371 . 64 VAL HB H 2.19 0.03 1 372 . 64 VAL HG1 H 1.04 0.03 1 373 . 64 VAL HG2 H 1.04 0.03 1 374 . 65 ASN H H 8.00 0.03 1 375 . 65 ASN HA H 4.91 0.03 1 376 . 65 ASN HB2 H 2.95 0.03 1 377 . 65 ASN HB3 H 2.76 0.03 1 378 . 65 ASN HD21 H 7.76 0.03 1 379 . 65 ASN HD22 H 7.26 0.03 1 380 . 66 LYS H H 8.28 0.03 1 381 . 66 LYS HA H 4.06 0.03 1 382 . 66 LYS HB2 H 2.05 0.03 1 383 . 66 LYS HB3 H 1.86 0.03 1 384 . 66 LYS HG2 H 1.55 0.03 1 385 . 66 LYS HG3 H 1.51 0.03 1 386 . 66 LYS HD2 H 1.79 0.03 1 387 . 66 LYS HD3 H 1.74 0.03 1 388 . 66 LYS HE2 H 3.11 0.03 1 389 . 66 LYS HE3 H 3.11 0.03 1 390 . 66 LYS HZ H 7.49 0.03 1 391 . 67 GLU H H 8.19 0.03 1 392 . 67 GLU HA H 4.49 0.03 1 393 . 67 GLU HB2 H 2.11 0.03 1 394 . 67 GLU HB3 H 1.90 0.03 1 395 . 67 GLU HG3 H 2.38 0.03 1 396 . 68 CYS H H 7.94 0.03 1 397 . 68 CYS HA H 4.38 0.03 1 398 . 68 CYS HB2 H 3.25 0.03 1 399 . 68 CYS HB3 H 3.22 0.03 1 400 . 69 HIS H H 8.73 0.03 1 401 . 69 HIS HA H 4.69 0.03 1 402 . 69 HIS HB2 H 3.11 0.03 1 403 . 69 HIS HB3 H 3.09 0.03 1 404 . 69 HIS HD2 H 7.15 0.03 1 405 . 69 HIS HE1 H 8.53 0.03 1 406 . 70 LEU H H 8.26 0.03 1 407 . 70 LEU HA H 4.31 0.03 1 408 . 70 LEU HB2 H 1.57 0.03 1 409 . 70 LEU HB3 H 1.47 0.03 1 410 . 70 LEU HG H 1.43 0.03 1 411 . 70 LEU HD1 H 0.89 0.03 1 412 . 70 LEU HD2 H 0.82 0.03 1 413 . 71 TRP H H 8.15 0.03 1 414 . 71 TRP HA H 4.73 0.03 1 415 . 71 TRP HB2 H 3.29 0.03 1 416 . 71 TRP HB3 H 3.24 0.03 1 417 . 71 TRP HD1 H 7.23 0.03 1 418 . 71 TRP HE1 H 10.15 0.03 1 419 . 71 TRP HE3 H 7.62 0.03 1 420 . 71 TRP HZ2 H 7.43 0.03 1 421 . 71 TRP HZ3 H 7.14 0.03 1 422 . 71 TRP HH2 H 7.20 0.03 1 423 . 72 LYS H H 8.14 0.03 1 424 . 72 LYS HA H 4.32 0.03 1 425 . 72 LYS HB2 H 1.76 0.03 1 426 . 72 LYS HB3 H 1.64 0.03 1 427 . 72 LYS HG2 H 1.28 0.03 1 428 . 72 LYS HG3 H 1.28 0.03 1 429 . 72 LYS HD2 H 1.62 0.03 1 430 . 72 LYS HD3 H 1.62 0.03 1 431 . 72 LYS HE2 H 2.93 0.03 1 432 . 72 LYS HE3 H 2.93 0.03 1 433 . 73 THR H H 8.03 0.03 1 434 . 73 THR HA H 4.24 0.03 1 435 . 73 THR HB H 4.19 0.03 1 436 . 73 THR HG2 H 1.18 0.03 1 stop_ save_