data_6458 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Two-Dimensional 1H NMR Study of Human Ubiquitin ; _BMRB_accession_number 6458 _BMRB_flat_file_name bmr6458.str _Entry_type original _Submission_date 2005-01-13 _Accession_date 2005-01-24 _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 'Di Stefano' Deena L. . 2 Wand A. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 390 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-12-13 original author . stop_ _Original_release_date 2006-12-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Two-Dimensional 1H NMR Study of Human Ubiquitin: A Main Chain Directed Assignment and Structure Analysis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 2827748 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Di Stefano' Deena L. . 2 Wand A. J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 26 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7272 _Page_last 7281 _Year 1987 _Details . loop_ _Keyword NMR Ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ubiquitin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubiquitin $Ub stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'biological signalling' 'protein degradation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ub _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubiquitin _Molecular_mass 8579.94 _Mol_thiol_state 'not present' loop_ _Biological_function 'molecular signalling' 'protein degradation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDE QRLIFAGKQLQDGRTLSDYN IEKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLU 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLN 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLU 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 EMBL CAX72420 "polyubiquitin [Schistosoma japonicum]" 52.63 268 97.50 100.00 3.89e-16 GB ACH45547 "putative ubiquitin C variant 1 [Taeniopygia guttata]" 65.79 209 98.00 100.00 1.44e-23 GB EAW49110 "hCG1993742 [Homo sapiens]" 50.00 148 100.00 100.00 4.99e-16 GB EAX04506 "ubiquitin B, isoform CRA_e [Homo sapiens]" 50.00 152 100.00 100.00 6.14e-16 GB EDX09116 "GD13314 [Drosophila simulans]" 53.95 300 97.56 100.00 9.46e-17 GB EDX09117 "GD13313 [Drosophila simulans]" 52.63 195 97.50 100.00 2.12e-16 REF XP_002083531 "GD13314 [Drosophila simulans]" 53.95 300 97.56 100.00 9.46e-17 REF XP_002083532 "GD13313 [Drosophila simulans]" 52.63 195 97.50 100.00 2.12e-16 REF XP_004629745 "PREDICTED: F-box/LRR-repeat protein 18 [Octodon degus]" 55.26 806 97.62 100.00 3.44e-18 REF XP_005502111 "PREDICTED: polyubiquitin-C isoform X7 [Columba livia]" 57.89 286 97.73 100.00 9.85e-19 REF XP_005524281 "PREDICTED: polyubiquitin-C isoform X3 [Pseudopodoces humilis]" 55.26 118 97.62 100.00 1.75e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ub Human 9606 Eukaryota Metazoa Homo sapiens 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 $Ub 'Purified from the natural source' . . . . . ; Sample was a gift from Drs A. Hershko and I. Rose j. Biol. Chem. 255, 7525-7528 ; 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 $Ub 8 mM . K3PO4 50 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ub 8 mM . K3PO4 50 mM . D2O 99.9 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AM 500' _Field_strength 500.13 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'DQF COSY' _Sample_label . save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_RCT_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'RCT COSY' _Sample_label . save_ save_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0 pH temperature 303 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 TMS H 1 'methyl protons' ppm 0 external direct . . . $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Ubiquitin _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 1 MET HA H 4.20 . 1 2 2 2 GLN H H 8.92 . 1 3 2 2 GLN HA H 5.27 . 1 4 2 2 GLN HB2 H 1.87 . 2 5 2 2 GLN HB3 H 1.60 . 2 6 2 2 GLN HG2 H 2.24 . 2 7 3 3 ILE H H 8.31 . 1 8 3 3 ILE HA H 4.13 . 1 9 3 3 ILE HB H 1.76 . 1 10 3 3 ILE HG12 H 1.07 . 2 11 3 3 ILE HG13 H 0.84 . . 12 3 3 ILE HG2 H 0.63 . 1 13 3 3 ILE HD1 H 0.56 . 1 14 4 4 PHE H H 8.59 . 1 15 4 4 PHE HA H 5.61 . 1 16 4 4 PHE HB2 H 3.02 . 2 17 4 4 PHE HB3 H 2.86 . 2 18 4 4 PHE HD1 H 7.21 . 3 19 4 4 PHE HE1 H 7.05 . 3 20 4 4 PHE HZ H 6.75 . 1 21 5 5 VAL H H 9.29 . 1 22 5 5 VAL HA H 4.81 . 1 23 5 5 VAL HB H 1.89 . 1 24 5 5 VAL HG1 H 0.71 . 2 25 5 5 VAL HG2 H 0.76 . 2 26 6 6 LYS H H 8.93 . 1 27 6 6 LYS HA H 5.28 . 1 28 6 6 LYS HB2 H 1.69 . 2 29 6 6 LYS HB3 H 1.37 . 2 30 6 6 LYS HG2 H 1.29 . 2 31 6 6 LYS HG3 H 1.57 . 2 32 6 6 LYS HD2 H 1.42 . 2 33 6 6 LYS HE2 H 2.91 . 2 34 7 7 THR H H 8.72 . 1 35 7 7 THR HA H 4.93 . 1 36 7 7 THR HB H 4.80 . 1 37 7 7 THR HG2 H 1.24 . 1 38 8 8 LEU H H 9.06 . 1 39 8 8 LEU HA H 4.27 . 1 40 8 8 LEU HB2 H 1.73 . 2 41 8 8 LEU HB3 H 1.91 . 2 42 8 8 LEU HG H 1.85 . 1 43 8 8 LEU HD1 H 1.02 . 2 44 8 8 LEU HD2 H 0.95 . 2 45 9 9 THR H H 7.62 . 1 46 9 9 THR HA H 4.38 . 1 47 9 9 THR HB H 4.56 . 1 48 9 9 THR HG2 H 1.24 . 1 49 10 10 GLY H H 7.81 . 1 50 10 10 GLY HA2 H 4.31 . 2 51 10 10 GLY HA3 H 3.58 . 2 52 11 11 LYS H H 7.26 . 1 53 11 11 LYS HA H 4.32 . 1 54 11 11 LYS HB2 H 1.78 . 2 55 11 11 LYS HB3 H 1.68 . 2 56 11 11 LYS HG2 H 1.36 . 2 57 11 11 LYS HG3 H 1.20 . 2 58 11 11 LYS HE2 H 2.91 . 1 59 11 11 LYS HE3 H 2.91 . 1 60 12 12 THR H H 8.60 . 1 61 12 12 THR HA H 5.04 . 1 62 12 12 THR HB H 3.92 . 1 63 12 12 THR HG2 H 1.06 . 1 64 13 13 ILE H H 9.52 . 1 65 13 13 ILE HA H 4.48 . 1 66 13 13 ILE HB H 1.85 . 1 67 13 13 ILE HG12 H 1.08 . 2 68 13 13 ILE HG13 H 1.41 . 2 69 13 13 ILE HG2 H 0.85 . 1 70 13 13 ILE HD1 H 0.70 . 1 71 14 14 THR H H 8.69 . 1 72 14 14 THR HA H 4.96 . 1 73 14 14 THR HB H 4.01 . 1 74 14 14 THR HG2 H 1.11 . 1 75 15 15 LEU H H 8.71 . 1 76 15 15 LEU HA H 4.74 . 1 77 15 15 LEU HB2 H 1.34 . 2 78 15 15 LEU HB3 H 1.21 . 2 79 15 15 LEU HG H 1.43 . 1 80 15 15 LEU HD1 H 0.79 . 2 81 15 15 LEU HD2 H 0.74 . 2 82 16 16 GLU H H 8.11 . 1 83 16 16 GLU HA H 4.87 . 1 84 16 16 GLU HB2 H 1.81 . 2 85 16 16 GLU HB3 H 1.92 . 2 86 16 16 GLU HG2 H 2.08 . 2 87 16 16 GLU HG3 H 2.22 . 2 88 17 17 VAL H H 8.91 . 1 89 17 17 VAL HA H 4.63 . 1 90 17 17 VAL HB H 2.33 . 1 91 17 17 VAL HG1 H 0.44 . 2 92 17 17 VAL HG2 H 0.70 . 2 93 18 18 GLU H H 8.67 . 1 94 18 18 GLU HA H 5.05 . 1 95 18 18 GLU HB2 H 1.58 . 2 96 19 19 PRO HA H 3.97 . 1 97 19 19 PRO HB2 H 2.22 . 2 98 19 19 PRO HB3 H 2.42 . 2 99 19 19 PRO HG2 H 2.03 . 2 100 19 19 PRO HG3 H 1.58 . 2 101 19 19 PRO HD2 H 4.06 . 2 102 19 19 PRO HD3 H 3.78 . 2 103 20 20 SER H H 7.02 . 1 104 20 20 SER HA H 4.33 . 1 105 20 20 SER HB2 H 4.14 . 2 106 20 20 SER HB3 H 3.78 . 2 107 21 21 ASP H H 8.03 . 1 108 21 21 ASP HA H 4.62 . 1 109 21 21 ASP HB2 H 2.93 . 2 110 21 21 ASP HB3 H 2.90 . 2 111 22 22 THR H H 7.86 . 1 112 22 22 THR HA H 4.90 . 1 113 22 22 THR HB H 4.78 . 1 114 22 22 THR HG2 H 1.16 . 1 115 23 23 ILE H H 8.51 . 1 116 23 23 ILE HA H 3.61 . 1 117 23 23 ILE HB H 2.46 . 1 118 23 23 ILE HG12 H 1.90 . 2 119 23 23 ILE HG13 H 1.30 . 2 120 23 23 ILE HG2 H 0.76 . 1 121 23 23 ILE HD1 H 0.57 . 1 122 24 24 GLU H H 10.01 . 1 123 24 24 GLU HA H 3.87 . 1 124 24 24 GLU HB2 H 2.01 . 2 125 24 24 GLU HG2 H 2.36 . 2 126 25 25 ASN H H 7.91 . 1 127 25 25 ASN HA H 4.51 . 1 128 25 25 ASN HB2 H 3.19 . 2 129 25 25 ASN HB3 H 2.84 . 2 130 26 26 VAL H H 8.09 . 1 131 26 26 VAL HA H 3.38 . 1 132 26 26 VAL HB H 2.33 . 1 133 26 26 VAL HG1 H 0.97 . 2 134 26 26 VAL HG2 H 0.68 . 2 135 27 27 LYS H H 8.54 . 1 136 27 27 LYS HA H 4.54 . 1 137 27 27 LYS HB2 H 1.99 . 2 138 27 27 LYS HG2 H 1.82 . 2 139 27 27 LYS HG3 H 1.58 . 2 140 28 28 ALA H H 7.98 . 1 141 28 28 ALA HA H 4.13 . 1 142 28 28 ALA HB H 1.61 . 1 143 29 29 LYS H H 7.86 . 1 144 29 29 LYS HA H 4.17 . 1 145 29 29 LYS HB2 H 2.12 . 2 146 29 29 LYS HG2 H 1.93 . . 147 29 29 LYS HG3 H 1.64 . 2 148 29 29 LYS HD2 H 1.76 . . 149 29 29 LYS HD3 H 1.43 . 2 150 29 29 LYS HE2 H 2.99 . 2 151 30 30 ILE H H 8.27 . 1 152 30 30 ILE HA H 3.47 . 1 153 30 30 ILE HB H 2.33 . 1 154 30 30 ILE HG12 H 1.97 . 2 155 30 30 ILE HG13 H 0.84 . 2 156 30 30 ILE HG2 H 0.67 . 1 157 30 30 ILE HD1 H 0.65 . 1 158 31 31 GLN H H 8.54 . 1 159 31 31 GLN HA H 3.79 . 1 160 31 31 GLN HB2 H 2.47 . 2 161 32 32 ASP H H 8.00 . 1 162 32 32 ASP HA H 4.31 . 1 163 32 32 ASP HB2 H 2.80 . 2 164 32 32 ASP HB3 H 2.73 . 2 165 33 33 LYS H H 7.43 . 1 166 33 33 LYS HA H 4.28 . 1 167 33 33 LYS HB2 H 1.82 . 2 168 33 33 LYS HG2 H 1.71 . 9 169 33 33 LYS HG3 H 1.60 . 9 170 33 33 LYS HD2 H 2.01 . 9 171 33 33 LYS HE2 H 3.14 . 2 172 34 34 GLU H H 8.71 . 1 173 34 34 GLU HA H 4.54 . 1 174 34 34 GLU HB2 H 1.66 . 2 175 34 34 GLU HG2 H 2.16 . 2 176 34 34 GLU HG3 H 2.08 . 2 177 35 35 GLY H H 8.48 . 1 178 35 35 GLY HA2 H 3.90 . 2 179 35 35 GLY HA3 H 4.11 . 2 180 36 36 ILE H H 6.15 . 1 181 36 36 ILE HA H 4.39 . 1 182 36 36 ILE HB H 1.40 . 1 183 36 36 ILE HG12 H 1.37 . 2 184 36 36 ILE HG13 H 1.07 . 2 185 36 36 ILE HG2 H 0.93 . 1 186 36 36 ILE HD1 H 0.76 . 1 187 37 37 PRO HA H 4.60 . 1 188 37 37 PRO HB2 H 2.40 . 2 189 37 37 PRO HB3 H 1.95 . 2 190 37 37 PRO HG2 H 2.08 . 2 191 37 37 PRO HG3 H 2.04 . 2 192 37 37 PRO HD2 H 4.17 . 2 193 37 37 PRO HD3 H 3.54 . 2 194 38 38 PRO HA H 4.09 . 1 195 38 38 PRO HB2 H 2.19 . 2 196 38 38 PRO HB3 H 2.03 . 2 197 38 38 PRO HG2 H 2.16 . 2 198 38 38 PRO HG3 H 1.62 . 2 199 38 38 PRO HD2 H 3.73 . 2 200 38 38 PRO HD3 H 3.87 . 2 201 39 39 ASP H H 8.51 . 1 202 39 39 ASP HA H 4.38 . 1 203 39 39 ASP HB2 H 2.75 . 2 204 39 39 ASP HB3 H 2.66 . 2 205 40 40 GLU H H 7.80 . 1 206 40 40 GLU HA H 4.43 . 1 207 40 40 GLU HB2 H 1.81 . 2 208 40 40 GLU HB3 H 1.83 . 2 209 40 40 GLU HG2 H 2.41 . 2 210 41 41 GLN H H 7.46 . 1 211 41 41 GLN HA H 4.19 . 1 212 41 41 GLN HB2 H 1.88 . 2 213 41 41 GLN HB3 H 1.96 . 2 214 41 41 GLN HG2 H 2.08 . 9 215 41 41 GLN HG3 H 2.52 . 9 216 42 42 ARG H H 8.50 . 1 217 42 42 ARG HA H 4.45 . 1 218 42 42 ARG HB2 H 1.67 . 2 219 42 42 ARG HG2 H 1.49 . 2 220 42 42 ARG HG3 H 1.61 . 2 221 42 42 ARG HD2 H 3.11 . 2 222 43 43 LEU H H 8.80 . 1 223 43 43 LEU HA H 5.34 . 1 224 43 43 LEU HB2 H 1.54 . 2 225 43 43 LEU HG H 1.45 . 1 226 43 43 LEU HD1 H 0.75 . 2 227 43 43 LEU HD2 H 0.78 . 2 228 44 44 ILE H H 9.09 . 1 229 44 44 ILE HA H 4.94 . 1 230 44 44 ILE HB H 1.71 . 1 231 44 44 ILE HG12 H 1.32 . 2 232 44 44 ILE HG13 H 1.03 . 2 233 44 44 ILE HG2 H 0.68 . 1 234 44 44 ILE HD1 H 0.64 . 1 235 45 45 PHE H H 8.84 . 1 236 45 45 PHE HA H 5.13 . 1 237 45 45 PHE HB2 H 2.78 . 2 238 45 45 PHE HB3 H 2.99 . 2 239 45 45 PHE HD1 H 7.33 . 3 240 45 45 PHE HE1 H 7.51 . 3 241 45 45 PHE HZ H 7.44 . 1 242 46 46 ALA H H 8.92 . 1 243 46 46 ALA HA H 3.67 . 1 244 46 46 ALA HB H 0.85 . 1 245 47 47 GLY H H 8.09 . 1 246 47 47 GLY HA2 H 4.07 . 2 247 47 47 GLY HA3 H 3.42 . 2 248 48 48 LYS H H 7.97 . 1 249 48 48 LYS HA H 4.57 . 1 250 48 48 LYS HB2 H 1.88 . 2 251 48 48 LYS HG2 H 1.49 . 2 252 48 48 LYS HD2 H 1.82 . 2 253 48 48 LYS HE2 H 3.13 . 2 254 49 49 GLN H H 8.61 . 1 255 49 49 GLN HA H 4.51 . 1 256 49 49 GLN HB2 H 1.97 . 2 257 49 49 GLN HB3 H 2.22 . 2 258 49 49 GLN HG2 H 2.50 . 2 259 49 49 GLN HG3 H 2.04 . 2 260 50 50 LEU H H 8.54 . 1 261 50 50 LEU HA H 4.06 . 1 262 50 50 LEU HB2 H 1.47 . 2 263 50 50 LEU HB3 H 0.99 . 2 264 50 50 LEU HG H 1.45 . 1 265 50 50 LEU HD1 H 0.50 . 2 266 50 50 LEU HD2 H -0.17 . 2 267 51 51 GLN H H 8.36 . 1 268 51 51 GLN HA H 4.46 . 1 269 51 51 GLN HB2 H 1.95 . 2 270 52 52 ASP H H 8.14 . 1 271 52 52 ASP HA H 4.35 . 1 272 52 52 ASP HB2 H 2.49 . 2 273 52 52 ASP HB3 H 2.61 . 2 274 53 53 GLY H H 9.66 . 1 275 53 53 GLY HA2 H 4.04 . 2 276 55 55 THR H H 8.82 . 1 277 55 55 THR HA H 5.22 . 1 278 55 55 THR HB H 4.51 . 1 279 55 55 THR HG2 H 1.11 . 1 280 56 56 LEU H H 8.14 . 1 281 56 56 LEU HA H 4.03 . 1 282 56 56 LEU HB2 H 2.08 . 2 283 56 56 LEU HB3 H 1.19 . 2 284 56 56 LEU HG H 1.70 . 1 285 56 56 LEU HD1 H 0.73 . 2 286 56 56 LEU HD2 H 0.60 . 2 287 57 57 SER H H 8.45 . 1 288 57 57 SER HA H 4.22 . 1 289 57 57 SER HB2 H 3.83 . 2 290 57 57 SER HB3 H 3.73 . 2 291 58 58 ASP H H 7.92 . 1 292 58 58 ASP HA H 4.26 . 1 293 58 58 ASP HB2 H 2.95 . 2 294 58 58 ASP HB3 H 2.26 . 2 295 59 59 TYR H H 7.25 . 1 296 59 59 TYR HA H 4.60 . 1 297 59 59 TYR HB2 H 2.51 . 2 298 59 59 TYR HB3 H 3.43 . 2 299 59 59 TYR HD1 H 7.27 . 3 300 59 59 TYR HE1 H 6.87 . 3 301 60 60 ASN H H 8.14 . 1 302 60 60 ASN HA H 4.33 . 1 303 60 60 ASN HB2 H 3.28 . 2 304 60 60 ASN HB3 H 2.77 . 2 305 61 61 ILE H H 7.23 . 1 306 61 61 ILE HA H 3.35 . 1 307 61 61 ILE HB H 1.37 . 1 308 61 61 ILE HG12 H -0.37 . 1 309 61 61 ILE HG13 H 1.08 . 2 310 61 61 ILE HG2 H 0.48 . 1 311 61 61 ILE HD1 H 0.39 . 1 312 62 62 GLU H H 7.60 . 1 313 62 62 GLU HA H 4.45 . 1 314 62 62 GLU HB2 H 1.88 . 2 315 62 62 GLU HG2 H 2.29 . 2 316 62 62 GLU HG3 H 2.35 . 2 317 63 63 LYS H H 8.44 . 1 318 63 63 LYS HA H 3.94 . 1 319 63 63 LYS HB2 H 2.02 . 2 320 63 63 LYS HB3 H 1.87 . 2 321 63 63 LYS HG2 H 1.49 . 2 322 63 63 LYS HD2 H 1.71 . 2 323 63 63 LYS HE2 H 3.01 . 2 324 64 64 GLU H H 9.28 . 1 325 64 64 GLU HA H 3.32 . 1 326 64 64 GLU HB2 H 2.39 . 2 327 64 64 GLU HB3 H 2.54 . 2 328 64 64 GLU HG2 H 2.24 . 2 329 65 65 SER H H 7.65 . 1 330 65 65 SER HA H 4.59 . 1 331 65 65 SER HB2 H 3.61 . 2 332 65 65 SER HB3 H 3.89 . 2 333 66 66 THR H H 8.70 . 1 334 66 66 THR HA H 5.26 . 1 335 66 66 THR HB H 4.05 . 1 336 66 66 THR HG2 H 0.92 . 1 337 67 67 LEU H H 9.39 . 1 338 67 67 LEU HA H 5.06 . 1 339 67 67 LEU HB2 H 1.61 . 2 340 67 67 LEU HB3 H 1.60 . 2 341 67 67 LEU HG H 1.75 . 1 342 67 67 LEU HD1 H 0.68 . 2 343 67 67 LEU HD2 H 0.65 . 2 344 68 68 HIS H H 9.22 . 1 345 68 68 HIS HA H 5.14 . 1 346 68 68 HIS HB2 H 2.89 . 2 347 68 68 HIS HD2 H 7.01 . 1 348 68 68 HIS HE1 H 8.01 . 1 349 69 69 LEU H H 8.30 . 1 350 69 69 LEU HA H 5.16 . 1 351 69 69 LEU HB2 H 1.60 . 2 352 69 69 LEU HG H 1.31 . 1 353 69 69 LEU HD1 H 0.84 . 2 354 69 69 LEU HD2 H 0.73 . 2 355 70 70 VAL H H 9.16 . 1 356 70 70 VAL HA H 4.34 . 1 357 70 70 VAL HB H 2.01 . 1 358 70 70 VAL HG1 H 0.91 . 2 359 70 70 VAL HG2 H 0.82 . 2 360 71 71 LEU H H 8.07 . 1 361 71 71 LEU HA H 5.02 . 1 362 71 71 LEU HB2 H 1.65 . 2 363 71 71 LEU HB3 H 1.53 . 2 364 71 71 LEU HG H 1.64 . 1 365 71 71 LEU HD1 H 0.96 . 2 366 71 71 LEU HD2 H 0.86 . 2 367 72 72 ARG H H 8.58 . 1 368 72 72 ARG HA H 4.25 . 1 369 72 72 ARG HB2 H 1.51 . 2 370 72 72 ARG HB3 H 1.75 . 2 371 72 72 ARG HG2 H 1.50 . 2 372 72 72 ARG HD2 H 3.13 . 2 373 73 73 LEU H H 8.30 . 1 374 73 73 LEU HA H 4.36 . 1 375 73 73 LEU HB2 H 1.54 . 2 376 73 73 LEU HG H 1.63 . 1 377 73 73 LEU HD1 H 0.92 . 2 378 73 73 LEU HD2 H 0.87 . 2 379 74 74 ARG H H 8.39 . 1 380 74 74 ARG HA H 4.27 . 1 381 74 74 ARG HB2 H 1.74 . 2 382 74 74 ARG HB3 H 1.85 . 2 383 74 74 ARG HG2 H 1.61 . 2 384 74 74 ARG HD2 H 3.19 . 2 385 75 75 GLY H H 8.44 . 1 386 75 75 GLY HA2 H 3.92 . 2 387 75 75 GLY HA3 H 3.97 . 2 388 76 76 GLY H H 7.91 . 1 389 76 76 GLY HA2 H 3.71 . 2 390 76 76 GLY HA3 H 3.79 . 2 stop_ save_