data_133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1) ; _BMRB_accession_number 133 _BMRB_flat_file_name bmr133.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Hoffmann Eberhard . . 2 Ruterjans Heinz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 461 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-10 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ _Original_release_date 2015-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Hoffmann, Eberhard, Ruterjans, Heinz, "Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1)," Eur. J. Biochem. 177, 539-560 (1988). ; _Citation_title ; Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hoffmann Eberhard . . 2 Ruterjans Heinz . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 177 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 539 _Page_last 560 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_ribonuclease_T1 _Saveframe_category molecular_system _Mol_system_name 'ribonuclease T1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ribonuclease T1' $ribonuclease_T1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ribonuclease_T1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribonuclease T1' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; AXDYTCGSNCYSSSDVSTAQ AAGYKLHEDGETVGXXSYPH KYNXYEGFDFSVSSPYYEWP ILSSGDVYSXXXXGADRVVF NENNQLAGVITHTGASGXNF VECT ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 X 3 ASP 4 TYR 5 THR 6 CYS 7 GLY 8 SER 9 ASN 10 CYS 11 TYR 12 SER 13 SER 14 SER 15 ASP 16 VAL 17 SER 18 THR 19 ALA 20 GLN 21 ALA 22 ALA 23 GLY 24 TYR 25 LYS 26 LEU 27 HIS 28 GLU 29 ASP 30 GLY 31 GLU 32 THR 33 VAL 34 GLY 35 X 36 X 37 SER 38 TYR 39 PRO 40 HIS 41 LYS 42 TYR 43 ASN 44 X 45 TYR 46 GLU 47 GLY 48 PHE 49 ASP 50 PHE 51 SER 52 VAL 53 SER 54 SER 55 PRO 56 TYR 57 TYR 58 GLU 59 TRP 60 PRO 61 ILE 62 LEU 63 SER 64 SER 65 GLY 66 ASP 67 VAL 68 TYR 69 SER 70 X 71 X 72 X 73 X 74 GLY 75 ALA 76 ASP 77 ARG 78 VAL 79 VAL 80 PHE 81 ASN 82 GLU 83 ASN 84 ASN 85 GLN 86 LEU 87 ALA 88 GLY 89 VAL 90 ILE 91 THR 92 HIS 93 THR 94 GLY 95 ALA 96 SER 97 GLY 98 X 99 ASN 100 PHE 101 VAL 102 GLU 103 CYS 104 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $ribonuclease_T1 'Aspergillus orzyae' 5062 Eukaryota Fungi Aspergillus oryzae generic 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 $ribonuclease_T1 'not available' . . . . . 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 . . 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_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 . na temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . . ppm 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'ribonuclease T1' _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 ALA HA H 4.06 . 1 2 . 1 ALA HB H 1.48 . 1 3 . 3 ASP H H 8.4 . 1 4 . 3 ASP HA H 4.3 . 1 5 . 3 ASP HB2 H 2.39 . 2 6 . 3 ASP HB3 H 2.76 . 2 7 . 4 TYR H H 8.42 . 1 8 . 4 TYR HA H 4.7 . 1 9 . 4 TYR HD1 H 6.82 . 1 10 . 4 TYR HD2 H 6.82 . 1 11 . 4 TYR HE1 H 6.64 . 1 12 . 4 TYR HE2 H 6.64 . 1 13 . 5 THR H H 9.39 . 1 14 . 5 THR HA H 5.02 . 1 15 . 5 THR HB H 4.06 . 1 16 . 5 THR HG2 H 1.05 . 1 17 . 6 CYS H H 8.95 . 1 18 . 6 CYS HA H 5.18 . 1 19 . 6 CYS HB2 H 3.07 . 1 20 . 6 CYS HB3 H 3.07 . 1 21 . 7 GLY H H 9.33 . 1 22 . 7 GLY HA2 H 3.65 . 2 23 . 7 GLY HA3 H 4.04 . 2 24 . 8 SER H H 8.95 . 1 25 . 8 SER HA H 4.45 . 1 26 . 8 SER HB2 H 3.84 . 2 27 . 8 SER HB3 H 3.9 . 2 28 . 9 ASN H H 8.08 . 1 29 . 9 ASN HB2 H 2.04 . 2 30 . 9 ASN HB3 H 2.85 . 2 31 . 10 CYS H H 8.26 . 1 32 . 10 CYS HA H 4.93 . 1 33 . 10 CYS HB2 H 2.92 . 2 34 . 10 CYS HB3 H 3.09 . 2 35 . 11 TYR H H 9.26 . 1 36 . 11 TYR HA H 5.32 . 1 37 . 11 TYR HB2 H 3.16 . 2 38 . 11 TYR HB3 H 2.72 . 2 39 . 11 TYR HD1 H 6.88 . 1 40 . 11 TYR HD2 H 6.88 . 1 41 . 11 TYR HE1 H 6.38 . 1 42 . 11 TYR HE2 H 6.38 . 1 43 . 12 SER H H 9.71 . 1 44 . 12 SER HA H 5.36 . 1 45 . 13 SER H H 10.36 . 1 46 . 13 SER HA H 4.27 . 1 47 . 13 SER HB2 H 4.02 . 1 48 . 13 SER HB3 H 4.02 . 1 49 . 14 SER H H 8.26 . 1 50 . 14 SER HA H 4.44 . 1 51 . 14 SER HB2 H 3.85 . 1 52 . 14 SER HB3 H 3.85 . 1 53 . 15 ASP H H 8.19 . 1 54 . 15 ASP HA H 4.44 . 1 55 . 15 ASP HB2 H 3.01 . 2 56 . 15 ASP HB3 H 3.41 . 2 57 . 16 VAL H H 7.97 . 1 58 . 16 VAL HA H 3.45 . 1 59 . 16 VAL HB H 2.16 . 1 60 . 16 VAL HG1 H .67 . 2 61 . 16 VAL HG2 H .72 . 2 62 . 17 SER H H 8.58 . 1 63 . 17 SER HA H 4.19 . 1 64 . 17 SER HB2 H 3.98 . 1 65 . 17 SER HB3 H 3.98 . 1 66 . 18 THR H H 8.39 . 1 67 . 18 THR HA H 3.96 . 1 68 . 18 THR HB H 4.29 . 1 69 . 18 THR HG2 H 1.26 . 1 70 . 19 ALA H H 7.68 . 1 71 . 19 ALA HA H 4.36 . 1 72 . 19 ALA HB H 1.69 . 1 73 . 20 GLN H H 9.09 . 1 74 . 20 GLN HA H 3.41 . 1 75 . 20 GLN HB2 H 1.94 . 1 76 . 20 GLN HB3 H 1.94 . 1 77 . 20 GLN HG2 H 2.06 . 2 78 . 20 GLN HG3 H 2.17 . 2 79 . 21 ALA H H 8.01 . 1 80 . 21 ALA HA H 3.88 . 1 81 . 21 ALA HB H 1.43 . 1 82 . 22 ALA H H 7.15 . 1 83 . 22 ALA HA H 4.02 . 1 84 . 22 ALA HB H 1.6 . 1 85 . 23 GLY H H 7.34 . 1 86 . 23 GLY HA2 H 1.96 . 1 87 . 23 GLY HA3 H 1.96 . 1 88 . 24 TYR H H 8.55 . 1 89 . 24 TYR HA H 3.34 . 1 90 . 24 TYR HB2 H 1.97 . 2 91 . 24 TYR HB3 H 2.27 . 2 92 . 24 TYR HD1 H 6.77 . 1 93 . 24 TYR HD2 H 6.77 . 1 94 . 24 TYR HE1 H 6.77 . 1 95 . 24 TYR HE2 H 6.77 . 1 96 . 25 LYS H H 7.37 . 1 97 . 25 LYS HA H 3.81 . 1 98 . 25 LYS HB2 H 1.78 . 1 99 . 25 LYS HB3 H 1.78 . 1 100 . 25 LYS HG2 H 1.34 . 1 101 . 25 LYS HG3 H 1.34 . 1 102 . 26 LEU H H 6.79 . 1 103 . 26 LEU HA H 3.94 . 1 104 . 26 LEU HB2 H 1.45 . 1 105 . 26 LEU HB3 H 1.45 . 1 106 . 26 LEU HG H 1.59 . 1 107 . 26 LEU HD1 H .85 . 2 108 . 26 LEU HD2 H .89 . 2 109 . 27 HIS H H 7.7 . 1 110 . 27 HIS HA H 4.33 . 1 111 . 27 HIS HB2 H 2.68 . 2 112 . 27 HIS HB3 H 3.24 . 2 113 . 27 HIS HD2 H 6.57 . 1 114 . 27 HIS HE1 H 8.21 . 1 115 . 28 GLU H H 8.52 . 1 116 . 28 GLU HA H 3.52 . 1 117 . 28 GLU HB2 H 1.84 . 2 118 . 28 GLU HB3 H 1.86 . 2 119 . 28 GLU HG2 H 1.99 . 1 120 . 28 GLU HG3 H 1.99 . 1 121 . 29 ASP H H 7.77 . 1 122 . 29 ASP HA H 4.58 . 1 123 . 29 ASP HB2 H 2.65 . 2 124 . 29 ASP HB3 H 2.76 . 2 125 . 30 GLY H H 7.72 . 1 126 . 30 GLY HA2 H 3.78 . 2 127 . 30 GLY HA3 H 3.9 . 2 128 . 31 GLU H H 8.04 . 1 129 . 31 GLU HA H 4.71 . 1 130 . 31 GLU HB2 H 1.78 . 1 131 . 31 GLU HB3 H 1.78 . 1 132 . 31 GLU HG2 H 2.09 . 1 133 . 31 GLU HG3 H 2.09 . 1 134 . 32 THR H H 8.06 . 1 135 . 32 THR HA H 5.34 . 1 136 . 32 THR HB H 3.97 . 1 137 . 32 THR HG2 H 1.12 . 1 138 . 33 VAL H H 9.74 . 1 139 . 33 VAL HA H 4.84 . 1 140 . 33 VAL HB H 2.07 . 1 141 . 33 VAL HG1 H 1.02 . 2 142 . 33 VAL HG2 H 1.11 . 2 143 . 34 GLY H H 8.65 . 1 144 . 34 GLY HA2 H 4.21 . 2 145 . 34 GLY HA3 H 4.93 . 2 146 . 37 SER H H 7.76 . 1 147 . 37 SER HA H 3.7 . 1 148 . 37 SER HB2 H 3.97 . 1 149 . 37 SER HB3 H 3.97 . 1 150 . 38 TYR H H 8.81 . 1 151 . 38 TYR HA H 4.8 . 1 152 . 38 TYR HB2 H 2.93 . 2 153 . 38 TYR HB3 H 3.42 . 2 154 . 38 TYR HD1 H 7.1 . 1 155 . 38 TYR HD2 H 7.1 . 1 156 . 38 TYR HE1 H 6.79 . 1 157 . 38 TYR HE2 H 6.79 . 1 158 . 39 PRO HA H 5.64 . 1 159 . 39 PRO HB2 H 2.7 . 1 160 . 39 PRO HB3 H 2.7 . 1 161 . 39 PRO HG2 H 2.23 . 1 162 . 39 PRO HG3 H 2.23 . 1 163 . 39 PRO HD2 H 4.18 . 1 164 . 39 PRO HD3 H 4.18 . 1 165 . 40 HIS H H 8.1 . 1 166 . 40 HIS HA H 5.36 . 1 167 . 40 HIS HB2 H 3.46 . 2 168 . 40 HIS HB3 H 3.8 . 2 169 . 40 HIS HD2 H 7.49 . 1 170 . 40 HIS HE1 H 8.17 . 1 171 . 41 LYS H H 9.23 . 1 172 . 41 LYS HA H 4.23 . 1 173 . 41 LYS HB2 H 1.75 . 1 174 . 41 LYS HB3 H 1.75 . 1 175 . 42 TYR H H 8.77 . 1 176 . 42 TYR HA H 5 . 1 177 . 42 TYR HB2 H 2.4 . 2 178 . 42 TYR HB3 H 2.81 . 2 179 . 42 TYR HD1 H 6.99 . 1 180 . 42 TYR HD2 H 6.99 . 1 181 . 42 TYR HE1 H 6.82 . 1 182 . 42 TYR HE2 H 6.82 . 1 183 . 43 ASN H H 8.55 . 1 184 . 43 ASN HA H 4.24 . 1 185 . 43 ASN HB2 H 1.79 . 2 186 . 43 ASN HB3 H 1.97 . 2 187 . 45 TYR H H 8.57 . 1 188 . 45 TYR HA H 4.27 . 1 189 . 45 TYR HB2 H 3.02 . 2 190 . 45 TYR HB3 H 2.85 . 2 191 . 45 TYR HD1 H 7.14 . 1 192 . 45 TYR HD2 H 7.14 . 1 193 . 45 TYR HE1 H 6.84 . 1 194 . 45 TYR HE2 H 6.84 . 1 195 . 46 GLU H H 8.97 . 1 196 . 46 GLU HA H 3.64 . 1 197 . 46 GLU HB2 H 1.16 . 1 198 . 46 GLU HB3 H 1.16 . 1 199 . 46 GLU HG2 H 2.36 . 2 200 . 46 GLU HG3 H 2.28 . 2 201 . 47 GLY H H 7.31 . 1 202 . 47 GLY HA2 H 3.6 . 2 203 . 47 GLY HA3 H 3.47 . 2 204 . 48 PHE H H 8.42 . 1 205 . 48 PHE HA H 4.29 . 1 206 . 48 PHE HB2 H 2.76 . 1 207 . 48 PHE HB3 H 2.76 . 1 208 . 48 PHE HD1 H 7.15 . 1 209 . 48 PHE HD2 H 7.15 . 1 210 . 48 PHE HE1 H 7.28 . 1 211 . 48 PHE HE2 H 7.28 . 1 212 . 48 PHE HZ H 6.92 . 1 213 . 49 ASP H H 8.77 . 1 214 . 49 ASP HA H 4.72 . 1 215 . 49 ASP HB2 H 2.83 . 2 216 . 49 ASP HB3 H 2.58 . 2 217 . 50 PHE H H 7.67 . 1 218 . 50 PHE HA H 5.09 . 1 219 . 50 PHE HB2 H 3.05 . 1 220 . 50 PHE HB3 H 3.05 . 1 221 . 50 PHE HD1 H 6.7 . 1 222 . 50 PHE HD2 H 6.7 . 1 223 . 50 PHE HE1 H 6.61 . 1 224 . 50 PHE HE2 H 6.61 . 1 225 . 50 PHE HZ H 6.52 . 1 226 . 51 SER H H 9.24 . 1 227 . 51 SER HA H 4.52 . 1 228 . 51 SER HB2 H 4.08 . 2 229 . 51 SER HB3 H 3.99 . 2 230 . 52 VAL H H 6.98 . 1 231 . 52 VAL HA H 4.73 . 1 232 . 52 VAL HB H 2.17 . 1 233 . 52 VAL HG1 H .86 . 2 234 . 52 VAL HG2 H .68 . 2 235 . 53 SER H H 8.92 . 1 236 . 53 SER HA H 4.42 . 1 237 . 53 SER HB2 H 4.01 . 2 238 . 53 SER HB3 H 3.94 . 2 239 . 54 SER H H 7.98 . 1 240 . 54 SER HA H 2.96 . 1 241 . 54 SER HB2 H 3.64 . 2 242 . 54 SER HB3 H 3.28 . 2 243 . 55 PRO HA H 4.17 . 1 244 . 55 PRO HB2 H 1.84 . 1 245 . 55 PRO HB3 H 1.84 . 1 246 . 55 PRO HG2 H 2.23 . 1 247 . 55 PRO HG3 H 2.23 . 1 248 . 56 TYR H H 8.09 . 1 249 . 56 TYR HA H 5.1 . 1 250 . 56 TYR HB2 H 3.18 . 2 251 . 56 TYR HB3 H 2.86 . 2 252 . 56 TYR HD1 H 6.73 . 1 253 . 56 TYR HD2 H 6.73 . 1 254 . 56 TYR HE1 H 6.73 . 1 255 . 56 TYR HE2 H 6.73 . 1 256 . 57 TYR H H 8.85 . 1 257 . 57 TYR HA H 4.7 . 1 258 . 57 TYR HD1 H 6.46 . 1 259 . 57 TYR HD2 H 6.46 . 1 260 . 57 TYR HE1 H 6.46 . 1 261 . 57 TYR HE2 H 6.46 . 1 262 . 58 GLU H H 8.88 . 1 263 . 58 GLU HA H 5.05 . 1 264 . 59 TRP H H 8.48 . 1 265 . 59 TRP HA H 5.32 . 1 266 . 59 TRP HB2 H 3.38 . 2 267 . 59 TRP HB3 H 3.13 . 2 268 . 59 TRP HD1 H 6.6 . 1 269 . 59 TRP HE1 H 9.15 . 1 270 . 59 TRP HE3 H 7.49 . 1 271 . 59 TRP HZ2 H 7.66 . 1 272 . 59 TRP HZ3 H 7.17 . 1 273 . 59 TRP HH2 H 7.27 . 1 274 . 60 PRO HA H 4.24 . 1 275 . 60 PRO HB2 H 1.94 . 2 276 . 60 PRO HB3 H .44 . 2 277 . 60 PRO HG2 H .38 . 2 278 . 60 PRO HG3 H .86 . 2 279 . 60 PRO HD2 H 2.52 . 2 280 . 60 PRO HD3 H 1.22 . 2 281 . 61 ILE H H 7.18 . 1 282 . 61 ILE HA H 4.27 . 1 283 . 61 ILE HB H 1.15 . 1 284 . 61 ILE HG12 H 1.24 . 2 285 . 61 ILE HG13 H .5 . 2 286 . 61 ILE HG2 H .25 . 1 287 . 61 ILE HD1 H .03 . 1 288 . 62 LEU H H 8.23 . 1 289 . 62 LEU HA H 4.85 . 1 290 . 62 LEU HB2 H 2.22 . 1 291 . 62 LEU HB3 H 2.22 . 1 292 . 62 LEU HG H 1.46 . 1 293 . 62 LEU HD1 H .88 . 2 294 . 62 LEU HD2 H .79 . 2 295 . 63 SER H H 9 . 1 296 . 63 SER HA H 4.33 . 1 297 . 63 SER HB2 H 3.95 . 2 298 . 63 SER HB3 H 3.87 . 2 299 . 64 SER H H 7.7 . 1 300 . 64 SER HA H 4.33 . 1 301 . 64 SER HB2 H 4.1 . 1 302 . 64 SER HB3 H 4.1 . 1 303 . 65 GLY H H 7.95 . 1 304 . 65 GLY HA2 H 4.41 . 2 305 . 65 GLY HA3 H 3.99 . 2 306 . 66 ASP H H 7.55 . 1 307 . 66 ASP HA H 4.67 . 1 308 . 66 ASP HB2 H 2.6 . 2 309 . 66 ASP HB3 H 2.31 . 2 310 . 67 VAL H H 8.52 . 1 311 . 67 VAL HA H 4 . 1 312 . 67 VAL HB H 2 . 1 313 . 67 VAL HG1 H 1.19 . 2 314 . 67 VAL HG2 H 1.03 . 2 315 . 68 TYR H H 9.24 . 1 316 . 68 TYR HA H 3.99 . 1 317 . 68 TYR HB2 H 2.26 . 1 318 . 68 TYR HB3 H 2.26 . 1 319 . 69 SER H H 8.2 . 1 320 . 69 SER HA H 4.44 . 1 321 . 69 SER HB2 H 3.98 . 2 322 . 69 SER HB3 H 3.62 . 2 323 . 74 GLY H H 7.76 . 1 324 . 74 GLY HA2 H 3.98 . 2 325 . 74 GLY HA3 H 3.85 . 2 326 . 75 ALA H H 8.65 . 1 327 . 75 ALA HA H 4.55 . 1 328 . 75 ALA HB H 1.52 . 1 329 . 76 ASP H H 8.77 . 1 330 . 76 ASP HA H 5.47 . 1 331 . 76 ASP HB2 H 3.02 . 2 332 . 76 ASP HB3 H 2.6 . 2 333 . 77 ARG H H 9.56 . 1 334 . 77 ARG HA H 4.91 . 1 335 . 78 VAL H H 9.02 . 1 336 . 78 VAL HA H 4.44 . 1 337 . 78 VAL HB H 1.91 . 1 338 . 78 VAL HG1 H 1.02 . 2 339 . 78 VAL HG2 H .99 . 2 340 . 79 VAL H H 8.25 . 1 341 . 79 VAL HA H 5.17 . 1 342 . 79 VAL HB H 1.19 . 1 343 . 79 VAL HG1 H .34 . 2 344 . 79 VAL HG2 H .01 . 2 345 . 80 PHE H H 8.21 . 1 346 . 80 PHE HA H 5.72 . 1 347 . 80 PHE HB2 H 3.16 . 2 348 . 80 PHE HB3 H 2.59 . 2 349 . 80 PHE HD1 H 7.4 . 1 350 . 80 PHE HD2 H 7.4 . 1 351 . 80 PHE HE1 H 6.77 . 1 352 . 80 PHE HE2 H 6.77 . 1 353 . 80 PHE HZ H 6.5 . 1 354 . 81 ASN H H 8.59 . 1 355 . 81 ASN HA H 6.13 . 1 356 . 81 ASN HB2 H 4.25 . 2 357 . 81 ASN HB3 H 2.63 . 2 358 . 82 GLU H H 7.69 . 1 359 . 82 GLU HA H 4.22 . 1 360 . 82 GLU HB2 H 2.16 . 1 361 . 82 GLU HB3 H 2.16 . 1 362 . 82 GLU HG2 H 2.48 . 2 363 . 82 GLU HG3 H 2.55 . 2 364 . 83 ASN H H 7.36 . 1 365 . 83 ASN HA H 4.98 . 1 366 . 83 ASN HB2 H 3.06 . 2 367 . 83 ASN HB3 H 2.51 . 2 368 . 84 ASN H H 8.24 . 1 369 . 84 ASN HA H 3.78 . 1 370 . 84 ASN HB2 H 2.67 . 2 371 . 84 ASN HB3 H .26 . 2 372 . 85 GLN H H 7.95 . 1 373 . 85 GLN HA H 4.42 . 1 374 . 85 GLN HB2 H 1.86 . 1 375 . 85 GLN HB3 H 1.86 . 1 376 . 85 GLN HG2 H 2.24 . 2 377 . 85 GLN HG3 H 2.09 . 2 378 . 86 LEU H H 8.42 . 1 379 . 86 LEU HA H 4 . 1 380 . 86 LEU HB2 H 1.64 . 1 381 . 86 LEU HB3 H 1.64 . 1 382 . 86 LEU HG H 1.03 . 1 383 . 86 LEU HD1 H .76 . 2 384 . 86 LEU HD2 H .66 . 2 385 . 87 ALA H H 9.1 . 1 386 . 87 ALA HA H 4.23 . 1 387 . 87 ALA HB H .02 . 1 388 . 88 GLY H H 7.09 . 1 389 . 88 GLY HA2 H 3.74 . 1 390 . 88 GLY HA3 H 3.74 . 1 391 . 89 VAL H H 8.05 . 1 392 . 89 VAL HA H 4.58 . 1 393 . 89 VAL HB H 1.48 . 1 394 . 89 VAL HG1 H .66 . 2 395 . 89 VAL HG2 H .02 . 2 396 . 90 ILE H H 8.76 . 1 397 . 90 ILE HA H 5.03 . 1 398 . 90 ILE HB H 1.63 . 1 399 . 90 ILE HG12 H .42 . 2 400 . 90 ILE HG13 H .2 . 2 401 . 90 ILE HG2 H .23 . 1 402 . 90 ILE HD1 H -.83 . 1 403 . 91 THR H H 9.45 . 1 404 . 91 THR HA H 5.82 . 1 405 . 91 THR HB H 4.11 . 1 406 . 91 THR HG2 H 1.24 . 1 407 . 92 HIS H H 9.28 . 1 408 . 92 HIS HA H 4.96 . 1 409 . 92 HIS HB2 H 3.44 . 2 410 . 92 HIS HB3 H 3.02 . 2 411 . 92 HIS HD2 H 7.01 . 1 412 . 92 HIS HE1 H 7.52 . 1 413 . 93 THR H H 9.36 . 1 414 . 93 THR HA H 3.98 . 1 415 . 93 THR HB H 4.05 . 1 416 . 93 THR HG2 H 1.21 . 1 417 . 94 GLY H H 8.8 . 1 418 . 94 GLY HA2 H 4.22 . 2 419 . 94 GLY HA3 H 3.66 . 2 420 . 95 ALA H H 7.9 . 1 421 . 95 ALA HA H 4.54 . 1 422 . 95 ALA HB H 1.36 . 1 423 . 96 SER H H 8.37 . 1 424 . 96 SER HA H 4.59 . 1 425 . 96 SER HB2 H 3.86 . 1 426 . 96 SER HB3 H 3.86 . 1 427 . 97 GLY H H 8.54 . 1 428 . 97 GLY HA2 H 3.77 . 2 429 . 97 GLY HA3 H 3.72 . 2 430 . 99 ASN H H 7.98 . 1 431 . 99 ASN HA H 4.96 . 1 432 . 99 ASN HB2 H 3.27 . 2 433 . 99 ASN HB3 H 3.14 . 2 434 . 100 PHE H H 8.91 . 1 435 . 100 PHE HA H 5.22 . 1 436 . 100 PHE HB2 H 3.03 . 2 437 . 100 PHE HB3 H 2.77 . 2 438 . 100 PHE HD1 H 7.16 . 1 439 . 100 PHE HD2 H 7.16 . 1 440 . 100 PHE HE1 H 6.95 . 1 441 . 100 PHE HE2 H 6.95 . 1 442 . 100 PHE HZ H 7.21 . 1 443 . 101 VAL H H 9.38 . 1 444 . 101 VAL HA H 4.87 . 1 445 . 101 VAL HB H 2.36 . 1 446 . 101 VAL HG1 H 1.04 . 2 447 . 101 VAL HG2 H .87 . 2 448 . 102 GLU H H 8.74 . 1 449 . 102 GLU HA H 4.16 . 1 450 . 102 GLU HB2 H 2.01 . 2 451 . 102 GLU HB3 H 1.74 . 2 452 . 102 GLU HG2 H 1.89 . 1 453 . 102 GLU HG3 H 1.89 . 1 454 . 103 CYS H H 8.61 . 1 455 . 103 CYS HA H 4.92 . 1 456 . 103 CYS HB2 H 3.35 . 2 457 . 103 CYS HB3 H 2.73 . 2 458 . 104 THR H H 8.4 . 1 459 . 104 THR HA H 4.36 . 1 460 . 104 THR HB H 4.43 . 1 461 . 104 THR HG2 H 1.21 . 1 stop_ save_