data_2198 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Studies of Plastocyanin from Scenedesmus obliquus: Complete Sequence-Specific Assignment, Secondary Structure Analysis, and Global Fold ; _BMRB_accession_number 2198 _BMRB_flat_file_name bmr2198.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 Moore Jonathan M. . 2 Chazin Walter J. . 3 Powls Roy . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 470 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 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_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Moore, Jonathan M., Chazin, Walter J., Powls, Roy, Wright, Peter E., "1H NMR Studies of Plastocyanin from Scenedesmus obliquus: Complete Sequence-Specific Assignment, Secondary Structure Analysis, and Global Fold," Biochemistry 27 (20), 7806-7816 (1988). ; _Citation_title ; 1H NMR Studies of Plastocyanin from Scenedesmus obliquus: Complete Sequence-Specific Assignment, Secondary Structure Analysis, and Global Fold ; _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 Moore Jonathan M. . 2 Chazin Walter J. . 3 Powls Roy . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 27 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7806 _Page_last 7816 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_plastocyanin _Saveframe_category molecular_system _Mol_system_name plastocyanin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label plastocyanin $plastocyanin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_plastocyanin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common plastocyanin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; ANVKLGADSGALVFEPATVT IKAGDSVTWTNNAGFPHNIV FDEDAVPAGVNADALSHDDY LNAPGESYTAKFDTAGEYGY FCEPHQGAGMVGKVIVQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASN 3 VAL 4 LYS 5 LEU 6 GLY 7 ALA 8 ASP 9 SER 10 GLY 11 ALA 12 LEU 13 VAL 14 PHE 15 GLU 16 PRO 17 ALA 18 THR 19 VAL 20 THR 21 ILE 22 LYS 23 ALA 24 GLY 25 ASP 26 SER 27 VAL 28 THR 29 TRP 30 THR 31 ASN 32 ASN 33 ALA 34 GLY 35 PHE 36 PRO 37 HIS 38 ASN 39 ILE 40 VAL 41 PHE 42 ASP 43 GLU 44 ASP 45 ALA 46 VAL 47 PRO 48 ALA 49 GLY 50 VAL 51 ASN 52 ALA 53 ASP 54 ALA 55 LEU 56 SER 57 HIS 58 ASP 59 ASP 60 TYR 61 LEU 62 ASN 63 ALA 64 PRO 65 GLY 66 GLU 67 SER 68 TYR 69 THR 70 ALA 71 LYS 72 PHE 73 ASP 74 THR 75 ALA 76 GLY 77 GLU 78 TYR 79 GLY 80 TYR 81 PHE 82 CYS 83 GLU 84 PRO 85 HIS 86 GLN 87 GLY 88 ALA 89 GLY 90 MET 91 VAL 92 GLY 93 LYS 94 VAL 95 ILE 96 VAL 97 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 GB AAD03610 "plastocyanin [Acutodesmus obliquus]" 100.00 145 100.00 100.00 1.45e-64 SP P26956 "RecName: Full=Plastocyanin, chloroplastic; Flags: Precursor" 100.00 145 100.00 100.00 1.45e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $plastocyanin 'green alga' 3088 Eukaryota Viridiplantae Scenedesmus obliquus '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 $plastocyanin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . 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 6.2 . na temperature 303 . 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 p-dioxane H . . ppm 3.75 . . . . . $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 plastocyanin _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 4.07 . 1 2 . 1 ALA HB H 1.29 . 1 3 . 2 ASN H H 8.69 . 1 4 . 2 ASN HA H 5.46 . 1 5 . 2 ASN HB2 H 2.48 . 2 6 . 2 ASN HB3 H 2.635 . 2 7 . 2 ASN HD21 H 6.94 . 2 8 . 2 ASN HD22 H 7.545 . 2 9 . 3 VAL H H 8.8 . 1 10 . 3 VAL HA H 4.455 . 1 11 . 3 VAL HB H 1.255 . 1 12 . 3 VAL HG1 H 1.14 . 2 13 . 3 VAL HG2 H .42 . 2 14 . 4 LYS H H 9.16 . 1 15 . 4 LYS HA H 4.7 . 1 16 . 4 LYS HB2 H 1.895 . 2 17 . 4 LYS HB3 H 1.665 . 2 18 . 5 LEU H H 8.485 . 1 19 . 5 LEU HA H 4.2 . 1 20 . 5 LEU HB2 H 2.52 . 2 21 . 5 LEU HB3 H 1.1 . 2 22 . 5 LEU HG H 1.69 . 1 23 . 5 LEU HD1 H 1.025 . 2 24 . 5 LEU HD2 H .935 . 2 25 . 6 GLY H H 7.915 . 1 26 . 6 GLY HA2 H 3.89 . 2 27 . 6 GLY HA3 H 5.075 . 2 28 . 7 ALA H H 8.295 . 1 29 . 7 ALA HA H 4.355 . 1 30 . 7 ALA HB H 1.43 . 1 31 . 8 ASP H H 9.255 . 1 32 . 8 ASP HA H 4.12 . 1 33 . 8 ASP HB2 H 2.71 . 2 34 . 8 ASP HB3 H 2.57 . 2 35 . 9 SER H H 7.755 . 1 36 . 9 SER HA H 4.175 . 1 37 . 9 SER HB2 H 4.03 . 2 38 . 9 SER HB3 H 3.86 . 2 39 . 10 GLY H H 8.21 . 1 40 . 10 GLY HA2 H 3.205 . 2 41 . 10 GLY HA3 H 4.32 . 2 42 . 11 ALA H H 7.18 . 1 43 . 11 ALA HA H 4.025 . 1 44 . 11 ALA HB H 1.22 . 1 45 . 12 LEU H H 8.335 . 1 46 . 12 LEU HA H 4.04 . 1 47 . 12 LEU HB2 H 1.66 . 2 48 . 12 LEU HB3 H .9 . 2 49 . 12 LEU HG H 1.565 . 1 50 . 12 LEU HD1 H .535 . 2 51 . 12 LEU HD2 H .295 . 2 52 . 13 VAL H H 7.22 . 1 53 . 13 VAL HA H 4.62 . 1 54 . 13 VAL HB H 2.17 . 1 55 . 13 VAL HG1 H .775 . 2 56 . 13 VAL HG2 H .56 . 2 57 . 14 PHE H H 8.85 . 1 58 . 14 PHE HA H 5 . 1 59 . 14 PHE HB2 H 2.595 . 2 60 . 14 PHE HB3 H 3.08 . 2 61 . 14 PHE HD1 H 6.92 . 1 62 . 14 PHE HD2 H 6.92 . 1 63 . 14 PHE HE1 H 7.22 . 1 64 . 14 PHE HE2 H 7.22 . 1 65 . 14 PHE HZ H 7.29 . 1 66 . 15 GLU H H 8.655 . 1 67 . 15 GLU HA H 5.02 . 1 68 . 15 GLU HB2 H 1.715 . 2 69 . 15 GLU HB3 H 2.03 . 2 70 . 16 PRO HA H 4.94 . 1 71 . 16 PRO HB2 H 2.28 . 2 72 . 16 PRO HB3 H 2.5 . 2 73 . 17 ALA H H 8.4 . 1 74 . 17 ALA HA H 4.16 . 1 75 . 17 ALA HB H 1.74 . 1 76 . 18 THR H H 7.68 . 1 77 . 18 THR HA H 5.275 . 1 78 . 18 THR HB H 3.875 . 1 79 . 18 THR HG2 H 1.05 . 1 80 . 19 VAL H H 8.015 . 1 81 . 19 VAL HA H 4.56 . 1 82 . 19 VAL HB H 1.73 . 1 83 . 19 VAL HG1 H .76 . 2 84 . 19 VAL HG2 H .715 . 2 85 . 20 THR H H 8.205 . 1 86 . 20 THR HA H 5.46 . 1 87 . 20 THR HB H 3.8 . 1 88 . 20 THR HG2 H .98 . 1 89 . 21 ILE H H 9.18 . 1 90 . 21 ILE HA H 4.71 . 1 91 . 21 ILE HB H 2.18 . 1 92 . 21 ILE HG12 H 1.04 . 2 93 . 21 ILE HG13 H .4 . 2 94 . 21 ILE HG2 H .61 . 1 95 . 21 ILE HD1 H .295 . 1 96 . 22 LYS H H 8.64 . 1 97 . 22 LYS HA H 4.79 . 1 98 . 22 LYS HB2 H 1.78 . 2 99 . 22 LYS HB3 H 1.705 . 2 100 . 22 LYS HG2 H 1.47 . 1 101 . 22 LYS HG3 H 1.47 . 1 102 . 23 ALA H H 8.52 . 1 103 . 23 ALA HA H 3.715 . 1 104 . 23 ALA HB H 1.2 . 1 105 . 24 GLY H H 9.46 . 1 106 . 24 GLY HA2 H 3.56 . 2 107 . 24 GLY HA3 H 4.39 . 2 108 . 25 ASP H H 8.29 . 1 109 . 25 ASP HA H 4.79 . 1 110 . 25 ASP HB2 H 3.1 . 2 111 . 25 ASP HB3 H 2.855 . 2 112 . 26 SER H H 8.455 . 1 113 . 26 SER HA H 5.52 . 1 114 . 26 SER HB2 H 3.45 . 2 115 . 26 SER HB3 H 3.39 . 2 116 . 27 VAL H H 8.655 . 1 117 . 27 VAL HA H 4.115 . 1 118 . 27 VAL HB H 1.19 . 1 119 . 27 VAL HG1 H .37 . 2 120 . 27 VAL HG2 H .68 . 2 121 . 28 THR H H 8.12 . 1 122 . 28 THR HA H 5.085 . 1 123 . 28 THR HB H 3.71 . 1 124 . 28 THR HG2 H .98 . 1 125 . 29 TRP H H 9.95 . 1 126 . 29 TRP HA H 5.68 . 1 127 . 29 TRP HB2 H 3.25 . 2 128 . 29 TRP HB3 H 2.93 . 2 129 . 29 TRP HD1 H 6.84 . 1 130 . 29 TRP HE1 H 9.58 . 1 131 . 29 TRP HE3 H 7.81 . 1 132 . 29 TRP HZ2 H 6.1 . 1 133 . 29 TRP HZ3 H 6.86 . 1 134 . 29 TRP HH2 H 6.975 . 1 135 . 30 THR H H 8.4 . 1 136 . 30 THR HA H 4.825 . 1 137 . 30 THR HB H 3.74 . 1 138 . 30 THR HG2 H 1.105 . 1 139 . 31 ASN H H 9.245 . 1 140 . 31 ASN HA H 5.155 . 1 141 . 31 ASN HB2 H 2.79 . 1 142 . 31 ASN HB3 H 2.79 . 1 143 . 31 ASN HD21 H 5.105 . 2 144 . 31 ASN HD22 H 6.68 . 2 145 . 32 ASN H H 8.915 . 1 146 . 32 ASN HA H 5.175 . 1 147 . 32 ASN HB2 H 2.445 . 2 148 . 32 ASN HB3 H 3.48 . 2 149 . 32 ASN HD21 H 7.78 . 2 150 . 32 ASN HD22 H 7.93 . 2 151 . 33 ALA H H 8.975 . 1 152 . 33 ALA HA H 4.47 . 1 153 . 33 ALA HB H 1.28 . 1 154 . 34 GLY H H 8.765 . 1 155 . 34 GLY HA2 H 3.42 . 2 156 . 34 GLY HA3 H 3.54 . 2 157 . 35 PHE H H 5.73 . 1 158 . 35 PHE HA H 3.19 . 1 159 . 35 PHE HB2 H 3.135 . 1 160 . 35 PHE HB3 H 3.135 . 1 161 . 35 PHE HD1 H 6.775 . 1 162 . 35 PHE HD2 H 6.775 . 1 163 . 35 PHE HE1 H 7.22 . 1 164 . 35 PHE HE2 H 7.22 . 1 165 . 35 PHE HZ H 7.375 . 1 166 . 36 PRO HA H 4.97 . 1 167 . 36 PRO HB2 H 1.48 . 2 168 . 36 PRO HB3 H 2.41 . 2 169 . 37 HIS H H 7.285 . 1 170 . 37 HIS HA H 5.69 . 1 171 . 37 HIS HB2 H 2.575 . 2 172 . 37 HIS HB3 H 3.62 . 2 173 . 37 HIS HD2 H 7.72 . 1 174 . 37 HIS HE1 H 7.07 . 1 175 . 37 HIS HE2 H 9.855 . 1 176 . 38 ASN H H 10.03 . 1 177 . 38 ASN HA H 4.47 . 1 178 . 38 ASN HB2 H 2.64 . 2 179 . 38 ASN HB3 H 3.64 . 2 180 . 38 ASN HD21 H 6.58 . 2 181 . 38 ASN HD22 H 7.97 . 2 182 . 39 ILE H H 6.445 . 1 183 . 39 ILE HA H 4.045 . 1 184 . 39 ILE HB H 1.03 . 1 185 . 39 ILE HG12 H .94 . 2 186 . 39 ILE HG13 H .135 . 2 187 . 39 ILE HG2 H -.59 . 1 188 . 39 ILE HD1 H .305 . 1 189 . 40 VAL H H 8.865 . 1 190 . 40 VAL HA H 3.915 . 1 191 . 40 VAL HB H .77 . 1 192 . 40 VAL HG1 H .62 . 2 193 . 40 VAL HG2 H .565 . 2 194 . 41 PHE H H 8.495 . 1 195 . 41 PHE HA H 4.295 . 1 196 . 41 PHE HB2 H 2.64 . 2 197 . 41 PHE HB3 H 2.985 . 2 198 . 41 PHE HD1 H 7.065 . 1 199 . 41 PHE HD2 H 7.065 . 1 200 . 41 PHE HE1 H 6.885 . 1 201 . 41 PHE HE2 H 6.885 . 1 202 . 42 ASP H H 8.435 . 1 203 . 42 ASP HA H 4.575 . 1 204 . 42 ASP HB2 H 3.05 . 2 205 . 42 ASP HB3 H 2.515 . 2 206 . 43 GLU H H 8.875 . 1 207 . 43 GLU HA H 4.015 . 1 208 . 43 GLU HB2 H 2.13 . 2 209 . 43 GLU HB3 H 2.17 . 2 210 . 44 ASP H H 8.575 . 1 211 . 44 ASP HA H 4.86 . 1 212 . 44 ASP HB2 H 2.855 . 2 213 . 44 ASP HB3 H 2.65 . 2 214 . 45 ALA H H 8.41 . 1 215 . 45 ALA HA H 4.73 . 1 216 . 45 ALA HB H 1.435 . 1 217 . 46 VAL H H 7.015 . 1 218 . 46 VAL HA H 5.075 . 1 219 . 46 VAL HB H 1.915 . 1 220 . 46 VAL HG1 H 1.31 . 2 221 . 46 VAL HG2 H .885 . 2 222 . 47 PRO HA H 4.28 . 1 223 . 47 PRO HB2 H 1.555 . 2 224 . 47 PRO HB3 H 2.365 . 2 225 . 47 PRO HD2 H 2.355 . 2 226 . 47 PRO HD3 H 2.675 . 2 227 . 48 ALA H H 8.25 . 1 228 . 48 ALA HA H 4.145 . 1 229 . 48 ALA HB H 1.36 . 1 230 . 49 GLY H H 8.62 . 1 231 . 49 GLY HA2 H 3.62 . 2 232 . 49 GLY HA3 H 4.205 . 2 233 . 50 VAL H H 7.635 . 1 234 . 50 VAL HA H 3.965 . 1 235 . 50 VAL HB H 2.16 . 1 236 . 50 VAL HG1 H .91 . 1 237 . 50 VAL HG2 H .91 . 1 238 . 51 ASN H H 8.44 . 1 239 . 51 ASN HA H 4.885 . 1 240 . 51 ASN HB2 H 2.745 . 2 241 . 51 ASN HB3 H 2.975 . 2 242 . 51 ASN HD21 H 7.09 . 2 243 . 51 ASN HD22 H 7.63 . 2 244 . 52 ALA H H 9.175 . 1 245 . 52 ALA HA H 3.8 . 1 246 . 52 ALA HB H 1.42 . 1 247 . 53 ASP H H 8.245 . 1 248 . 53 ASP HA H 4.375 . 1 249 . 53 ASP HB2 H 2.82 . 2 250 . 53 ASP HB3 H 2.72 . 2 251 . 54 ALA H H 7.425 . 1 252 . 54 ALA HA H 4.18 . 1 253 . 54 ALA HB H 1.43 . 1 254 . 55 LEU H H 7 . 1 255 . 55 LEU HA H 4.04 . 1 256 . 55 LEU HB2 H 1.165 . 2 257 . 55 LEU HB3 H .64 . 2 258 . 55 LEU HG H 1.285 . 1 259 . 55 LEU HD1 H .355 . 2 260 . 55 LEU HD2 H .065 . 2 261 . 56 SER H H 7.47 . 1 262 . 56 SER HA H 4.32 . 1 263 . 56 SER HB2 H 4.1 . 2 264 . 56 SER HB3 H 3.89 . 2 265 . 57 HIS H H 9.46 . 1 266 . 57 HIS HA H 4.415 . 1 267 . 57 HIS HB2 H .93 . 2 268 . 57 HIS HB3 H 2.41 . 2 269 . 57 HIS HD2 H 8.29 . 1 270 . 57 HIS HE1 H 7.05 . 1 271 . 58 ASP H H 8.635 . 1 272 . 58 ASP HA H 4.09 . 1 273 . 58 ASP HB2 H 2.53 . 1 274 . 58 ASP HB3 H 2.53 . 1 275 . 59 ASP H H 7.99 . 1 276 . 59 ASP HA H 4.32 . 1 277 . 59 ASP HB2 H 2.5 . 2 278 . 59 ASP HB3 H 2.13 . 2 279 . 60 TYR H H 8.345 . 1 280 . 60 TYR HA H 4.59 . 1 281 . 60 TYR HB2 H 2.775 . 2 282 . 60 TYR HB3 H 2.96 . 2 283 . 60 TYR HD1 H 7 . 1 284 . 60 TYR HD2 H 7 . 1 285 . 60 TYR HE1 H 6.74 . 1 286 . 60 TYR HE2 H 6.74 . 1 287 . 61 LEU H H 9.39 . 1 288 . 61 LEU HA H 4.455 . 1 289 . 61 LEU HB2 H 1.63 . 2 290 . 61 LEU HB3 H 1.24 . 2 291 . 61 LEU HG H 1.375 . 1 292 . 61 LEU HD1 H .555 . 2 293 . 61 LEU HD2 H .455 . 2 294 . 62 ASN H H 8.385 . 1 295 . 62 ASN HA H 4.705 . 1 296 . 62 ASN HB2 H 2.69 . 1 297 . 62 ASN HB3 H 2.69 . 1 298 . 62 ASN HD21 H 6.72 . 2 299 . 62 ASN HD22 H 7.505 . 2 300 . 63 ALA H H 8.22 . 1 301 . 63 ALA HA H 4.59 . 1 302 . 63 ALA HB H 1.265 . 1 303 . 64 PRO HA H 3.7 . 1 304 . 64 PRO HB2 H 1.955 . 2 305 . 64 PRO HB3 H 2.37 . 2 306 . 64 PRO HG2 H 1.88 . 2 307 . 64 PRO HG3 H 1.64 . 2 308 . 64 PRO HD2 H 3.49 . 2 309 . 64 PRO HD3 H 3.59 . 2 310 . 65 GLY H H 8.43 . 1 311 . 65 GLY HA2 H 3.575 . 2 312 . 65 GLY HA3 H 4.195 . 2 313 . 66 GLU H H 7.32 . 1 314 . 66 GLU HA H 4.2 . 1 315 . 66 GLU HB2 H 1.965 . 2 316 . 66 GLU HB3 H 2.07 . 2 317 . 67 SER H H 8.58 . 1 318 . 67 SER HA H 5.965 . 1 319 . 67 SER HB2 H 3.72 . 2 320 . 67 SER HB3 H 3.68 . 2 321 . 68 TYR H H 8.9 . 1 322 . 68 TYR HA H 4.99 . 1 323 . 68 TYR HB2 H 2.455 . 2 324 . 68 TYR HB3 H 2.89 . 2 325 . 68 TYR HD1 H 7.275 . 1 326 . 68 TYR HD2 H 7.275 . 1 327 . 68 TYR HE1 H 7.05 . 1 328 . 68 TYR HE2 H 7.05 . 1 329 . 69 THR H H 7.79 . 1 330 . 69 THR HA H 5.54 . 1 331 . 69 THR HB H 3.57 . 1 332 . 69 THR HG2 H .905 . 1 333 . 70 ALA H H 8.62 . 1 334 . 70 ALA HA H 4.46 . 1 335 . 70 ALA HB H 1.13 . 1 336 . 71 LYS H H 7.82 . 1 337 . 71 LYS HA H 4.52 . 1 338 . 71 LYS HB2 H 1.435 . 2 339 . 71 LYS HB3 H 1.35 . 2 340 . 72 PHE H H 8.01 . 1 341 . 72 PHE HA H 4.355 . 1 342 . 72 PHE HB2 H 2.37 . 2 343 . 72 PHE HB3 H 2.67 . 2 344 . 72 PHE HD1 H 6.255 . 1 345 . 72 PHE HD2 H 6.255 . 1 346 . 72 PHE HE1 H 6.495 . 1 347 . 72 PHE HE2 H 6.495 . 1 348 . 72 PHE HZ H 7.02 . 1 349 . 73 ASP H H 8.3 . 1 350 . 73 ASP HA H 4.605 . 1 351 . 73 ASP HB2 H 2.595 . 2 352 . 73 ASP HB3 H 2.49 . 2 353 . 74 THR H H 7.925 . 1 354 . 74 THR HA H 4.405 . 1 355 . 74 THR HB H 3.88 . 1 356 . 74 THR HG2 H 1.265 . 1 357 . 75 ALA H H 8.97 . 1 358 . 75 ALA HA H 3.995 . 1 359 . 75 ALA HB H 1.38 . 1 360 . 76 GLY H H 9.195 . 1 361 . 76 GLY HA2 H 3.805 . 2 362 . 76 GLY HA3 H 4.46 . 2 363 . 77 GLU H H 8.165 . 1 364 . 77 GLU HA H 5.13 . 1 365 . 77 GLU HB2 H 1.83 . 2 366 . 77 GLU HB3 H 1.91 . 2 367 . 78 TYR H H 9.49 . 1 368 . 78 TYR HA H 5.66 . 1 369 . 78 TYR HB2 H 3.09 . 2 370 . 78 TYR HB3 H 3.635 . 2 371 . 78 TYR HD1 H 7.155 . 1 372 . 78 TYR HD2 H 7.155 . 1 373 . 78 TYR HE1 H 6.66 . 1 374 . 78 TYR HE2 H 6.66 . 1 375 . 78 TYR HH H 10.115 . 1 376 . 79 GLY H H 9.54 . 1 377 . 79 GLY HA2 H 3.93 . 2 378 . 79 GLY HA3 H 4.91 . 2 379 . 80 TYR H H 8.44 . 1 380 . 80 TYR HA H 5.15 . 1 381 . 80 TYR HB2 H 1.34 . 2 382 . 80 TYR HB3 H 1.46 . 2 383 . 80 TYR HD1 H 6.15 . 1 384 . 80 TYR HD2 H 6.15 . 1 385 . 80 TYR HE1 H 5.29 . 1 386 . 80 TYR HE2 H 5.29 . 1 387 . 80 TYR HH H 9.68 . 1 388 . 81 PHE H H 9.03 . 1 389 . 81 PHE HA H 5.15 . 1 390 . 81 PHE HB2 H 3.04 . 2 391 . 81 PHE HB3 H 3.27 . 2 392 . 81 PHE HD1 H 6.775 . 1 393 . 81 PHE HD2 H 6.775 . 1 394 . 81 PHE HE1 H 7.025 . 1 395 . 81 PHE HE2 H 7.025 . 1 396 . 81 PHE HZ H 7.24 . 1 397 . 82 CYS H H 7.67 . 1 398 . 82 CYS HA H 5.18 . 1 399 . 82 CYS HB2 H 3.335 . 2 400 . 82 CYS HB3 H 2.805 . 2 401 . 83 GLU H H 10.03 . 1 402 . 83 GLU HA H 4.42 . 1 403 . 83 GLU HB2 H 2.36 . 1 404 . 83 GLU HB3 H 2.36 . 1 405 . 84 PRO HA H 4.16 . 1 406 . 84 PRO HB2 H .96 . 2 407 . 84 PRO HB3 H 1.75 . 2 408 . 84 PRO HD2 H 3.325 . 2 409 . 84 PRO HD3 H 5.125 . 2 410 . 85 HIS H H 8.255 . 1 411 . 85 HIS HA H 5.165 . 1 412 . 85 HIS HB2 H 3.35 . 2 413 . 85 HIS HB3 H 3.78 . 2 414 . 85 HIS HD2 H 7.14 . 1 415 . 85 HIS HE1 H 7.75 . 1 416 . 86 GLN H H 8.46 . 1 417 . 86 GLN HA H 3.97 . 1 418 . 86 GLN HB2 H 2.13 . 2 419 . 86 GLN HB3 H 2.53 . 2 420 . 86 GLN HE21 H 6.765 . 2 421 . 86 GLN HE22 H 6.05 . 2 422 . 87 GLY H H 9.065 . 1 423 . 87 GLY HA2 H 3.79 . 2 424 . 87 GLY HA3 H 3.875 . 2 425 . 88 ALA H H 7.5 . 1 426 . 88 ALA HA H 4.55 . 1 427 . 88 ALA HB H 1.57 . 1 428 . 89 GLY H H 8.01 . 1 429 . 89 GLY HA2 H 3.77 . 2 430 . 89 GLY HA3 H 4.425 . 2 431 . 90 MET H H 7.56 . 1 432 . 90 MET HA H 4.525 . 1 433 . 90 MET HB2 H 2.15 . 2 434 . 90 MET HB3 H 1.42 . 2 435 . 90 MET HE H .59 . 1 436 . 91 VAL H H 7.82 . 1 437 . 91 VAL HA H 4.92 . 1 438 . 91 VAL HB H 2.215 . 1 439 . 91 VAL HG1 H 1.02 . 2 440 . 91 VAL HG2 H .895 . 2 441 . 92 GLY H H 8.465 . 1 442 . 92 GLY HA2 H 2.72 . 2 443 . 92 GLY HA3 H 4.79 . 2 444 . 93 LYS H H 8.74 . 1 445 . 93 LYS HA H 5.645 . 1 446 . 93 LYS HB2 H 1.805 . 2 447 . 93 LYS HB3 H 1.43 . 2 448 . 94 VAL H H 9.435 . 1 449 . 94 VAL HA H 4.63 . 1 450 . 94 VAL HB H 1.675 . 1 451 . 94 VAL HG1 H .85 . 2 452 . 94 VAL HG2 H .21 . 2 453 . 95 ILE H H 9.32 . 1 454 . 95 ILE HA H 4.52 . 1 455 . 95 ILE HB H 2.065 . 1 456 . 95 ILE HG12 H 1.45 . 2 457 . 95 ILE HG13 H 1.025 . 2 458 . 95 ILE HG2 H .825 . 1 459 . 95 ILE HD1 H .77 . 1 460 . 96 VAL H H 9.14 . 1 461 . 96 VAL HA H 4.55 . 1 462 . 96 VAL HB H 2.46 . 1 463 . 96 VAL HG1 H .62 . 2 464 . 96 VAL HG2 H .45 . 2 465 . 97 GLN H H 9.225 . 1 466 . 97 GLN HA H 4.38 . 1 467 . 97 GLN HB2 H 1.945 . 2 468 . 97 GLN HB3 H 2.21 . 2 469 . 97 GLN HE21 H 7.34 . 2 470 . 97 GLN HE22 H 6.73 . 2 stop_ save_