data_26698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for rNedd4 WW3 Domain ; _BMRB_accession_number 26698 _BMRB_flat_file_name bmr26698.str _Entry_type original _Submission_date 2015-10-27 _Accession_date 2015-10-27 _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 Spagnol Gaelle . . 2 Kieken Fabien . . 3 Sorgen Paul L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 "13C chemical shifts" 133 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-08 update BMRB 'update entry citation' 2016-02-22 original author 'original release' stop_ _Original_release_date 2016-02-22 save_ ############################# # Citation for this entry # ############################# save_reference_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Studies of the Nedd4 WW Domains and their Selectivity for the Cx43 Carboxyl-terminus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26841867 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Spagnol Gaelle . . 2 Kieken Fabien . . 3 Kopanic Jennifer L. . 4 Li Hanjun . . 5 Zach Sydney L. . 6 Stauch Kelly . . 7 Grosely Rosslyn L. . 8 Sorgen Paul . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7637 _Page_last 7650 _Year 2016 _Details . loop_ _Keyword Cx43 NMR Nedd4 'WW domains' stop_ save_ ################################## # Molecular system description # ################################## save_my_system _Saveframe_category molecular_system _Mol_system_name 'rNedd4 WW3 Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rNedd4 WW3 Domain' $Nedd4_WW3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nedd4_WW3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nedd4_WW3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Substrate recognition domain of a ubiquitin ligase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; GSLGPLPPGWEERTHTDGRV FFINHNIKKTQWEDPRMQN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 LEU 4 4 GLY 5 5 PRO 6 6 LEU 7 7 PRO 8 8 PRO 9 9 GLY 10 10 TRP 11 11 GLU 12 12 GLU 13 13 ARG 14 14 THR 15 15 HIS 16 16 THR 17 17 ASP 18 18 GLY 19 19 ARG 20 20 VAL 21 21 PHE 22 22 PHE 23 23 ILE 24 24 ASN 25 25 HIS 26 26 ASN 27 27 ILE 28 28 LYS 29 29 LYS 30 30 THR 31 31 GLN 32 32 TRP 33 33 GLU 34 34 ASP 35 35 PRO 36 36 ARG 37 37 MET 38 38 GLN 39 39 ASN 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 $Nedd4_WW3 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $Nedd4_WW3 'recombinant technology' . Escherichia coli . pGEX-KT 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 $Nedd4_WW3 1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 1.8 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_NMRPipe_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 156 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water C 13 protons ppm 46 internal indirect . . . 0.251449530 water H 1 protons ppm 4.758 internal direct . . . 1.0 water N 15 protons ppm 120 internal indirect . . . 0.101329118 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_set _Saveframe_category assigned_chemical_shifts _Details 'Derived from the file: /usr/lab/people/fkieken/ww3/run20/data/aro/aro.ppm' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'rNedd4 WW3 Domain' _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 2 2 SER HA H 4.505 . 1 2 2 2 SER HB2 H 3.840 . 2 3 2 2 SER HB3 H 3.840 . 2 4 2 2 SER CA C 58.300 . 1 5 2 2 SER CB C 63.800 . 1 6 3 3 LEU H H 8.257 . 1 7 3 3 LEU HA H 4.380 . 1 8 3 3 LEU HB2 H 1.450 . 2 9 3 3 LEU HB3 H 1.506 . 2 10 3 3 LEU HG H 1.600 . 1 11 3 3 LEU HD1 H 0.820 . 2 12 3 3 LEU HD2 H 0.855 . 2 13 3 3 LEU CA C 55.300 . 1 14 3 3 LEU CB C 42.900 . 1 15 3 3 LEU CG C 27.600 . 1 16 3 3 LEU CD1 C 24.000 . 1 17 3 3 LEU CD2 C 24.000 . 1 18 3 3 LEU N N 125.080 . 1 19 4 4 GLY H H 8.170 . 1 20 4 4 GLY HA2 H 4.010 . 2 21 4 4 GLY HA3 H 4.030 . 2 22 4 4 GLY CA C 44.200 . 1 23 4 4 GLY N N 109.800 . 1 24 5 5 PRO HA H 4.474 . 1 25 5 5 PRO HB2 H 1.905 . 2 26 5 5 PRO HB3 H 2.254 . 2 27 5 5 PRO HG2 H 1.920 . 2 28 5 5 PRO HG3 H 1.980 . 2 29 5 5 PRO HD2 H 3.550 . 2 30 5 5 PRO HD3 H 3.550 . 2 31 5 5 PRO CA C 62.400 . 1 32 5 5 PRO CB C 32.100 . 1 33 5 5 PRO CG C 27.200 . 1 34 5 5 PRO CD C 49.300 . 1 35 6 6 LEU H H 8.683 . 1 36 6 6 LEU HA H 4.120 . 1 37 6 6 LEU HB2 H 1.430 . 2 38 6 6 LEU HB3 H 1.759 . 2 39 6 6 LEU HG H 1.780 . 1 40 6 6 LEU HD1 H 1.064 . 2 41 6 6 LEU HD2 H 0.760 . 2 42 6 6 LEU CA C 53.400 . 1 43 6 6 LEU CB C 41.400 . 1 44 6 6 LEU CG C 27.200 . 1 45 6 6 LEU CD1 C 26.400 . 1 46 6 6 LEU CD2 C 24.000 . 1 47 6 6 LEU N N 123.920 . 1 48 7 7 PRO HA H 4.530 . 1 49 7 7 PRO HB2 H 1.960 . 2 50 7 7 PRO HB3 H 2.540 . 2 51 7 7 PRO HG2 H 1.590 . 2 52 7 7 PRO HG3 H 1.820 . 2 53 7 7 PRO HD2 H 2.910 . 2 54 7 7 PRO HD3 H 3.420 . 2 55 7 7 PRO CA C 61.200 . 1 56 7 7 PRO CB C 29.700 . 1 57 7 7 PRO CG C 27.260 . 1 58 7 7 PRO CD C 50.180 . 1 59 8 8 PRO HA H 4.360 . 1 60 8 8 PRO HB2 H 1.900 . 2 61 8 8 PRO HB3 H 2.310 . 2 62 8 8 PRO HG2 H 2.020 . 2 63 8 8 PRO HG3 H 2.120 . 2 64 8 8 PRO HD2 H 3.610 . 2 65 8 8 PRO HD3 H 3.860 . 2 66 8 8 PRO CA C 64.000 . 1 67 8 8 PRO CB C 32.080 . 1 68 8 8 PRO CG C 27.600 . 1 69 8 8 PRO CD C 50.180 . 1 70 9 9 GLY H H 8.788 . 1 71 9 9 GLY HA2 H 3.616 . 2 72 9 9 GLY HA3 H 4.159 . 2 73 9 9 GLY CA C 45.300 . 1 74 9 9 GLY N N 113.500 . 1 75 10 10 TRP H H 7.644 . 1 76 10 10 TRP HA H 5.395 . 1 77 10 10 TRP HB2 H 3.030 . 2 78 10 10 TRP HB3 H 3.300 . 2 79 10 10 TRP HE1 H 10.600 . 1 80 10 10 TRP CA C 56.700 . 1 81 10 10 TRP CB C 32.000 . 1 82 10 10 TRP CD1 C 123.770 . 1 83 10 10 TRP CE3 C 116.600 . 1 84 10 10 TRP CZ2 C 111.400 . 1 85 10 10 TRP CZ3 C 118.600 . 1 86 10 10 TRP CH2 C 121.200 . 1 87 10 10 TRP N N 119.410 . 1 88 10 10 TRP NE1 N 130.670 . 1 89 11 11 GLU H H 9.383 . 1 90 11 11 GLU HA H 4.707 . 1 91 11 11 GLU HB2 H 1.960 . 2 92 11 11 GLU HB3 H 2.030 . 2 93 11 11 GLU HG2 H 2.200 . 2 94 11 11 GLU HG3 H 2.250 . 2 95 11 11 GLU CA C 55.000 . 1 96 11 11 GLU CB C 34.600 . 1 97 11 11 GLU CG C 36.200 . 1 98 11 11 GLU N N 122.300 . 1 99 12 12 GLU H H 8.688 . 1 100 12 12 GLU HA H 4.580 . 1 101 12 12 GLU HB2 H 1.880 . 2 102 12 12 GLU HB3 H 1.870 . 2 103 12 12 GLU HG2 H 1.850 . 2 104 12 12 GLU HG3 H 1.850 . 2 105 12 12 GLU CA C 55.100 . 1 106 12 12 GLU CB C 32.500 . 1 107 12 12 GLU CG C 36.700 . 1 108 12 12 GLU N N 125.847 . 1 109 13 13 ARG H H 8.504 . 1 110 13 13 ARG HA H 4.360 . 1 111 13 13 ARG HB2 H 0.028 . 2 112 13 13 ARG HB3 H 1.040 . 2 113 13 13 ARG HG2 H 1.170 . 2 114 13 13 ARG HG3 H 1.170 . 2 115 13 13 ARG HD2 H 2.940 . 2 116 13 13 ARG HD3 H 3.140 . 2 117 13 13 ARG CA C 53.700 . 1 118 13 13 ARG CB C 34.100 . 1 119 13 13 ARG CG C 26.800 . 1 120 13 13 ARG CD C 43.000 . 1 121 13 13 ARG N N 127.130 . 1 122 14 14 THR H H 8.080 . 1 123 14 14 THR HA H 4.760 . 1 124 14 14 THR HB H 3.900 . 1 125 14 14 THR HG2 H 1.220 . 1 126 14 14 THR CA C 61.700 . 1 127 14 14 THR CB C 70.100 . 1 128 14 14 THR CG2 C 21.530 . 1 129 14 14 THR N N 114.815 . 1 130 15 15 HIS H H 9.710 . 1 131 15 15 HIS HA H 5.019 . 1 132 15 15 HIS HB2 H 3.300 . 2 133 15 15 HIS HB3 H 3.680 . 2 134 15 15 HIS CA C 55.700 . 1 135 15 15 HIS CB C 32.170 . 1 136 15 15 HIS CD2 C 115.200 . 1 137 15 15 HIS N N 128.550 . 1 138 16 16 THR HA H 3.950 . 1 139 16 16 THR HB H 4.100 . 1 140 16 16 THR HG2 H 1.210 . 1 141 16 16 THR CA C 64.800 . 1 142 16 16 THR CB C 68.500 . 1 143 16 16 THR CG2 C 21.900 . 1 144 17 17 ASP H H 8.490 . 1 145 17 17 ASP HA H 4.550 . 1 146 17 17 ASP HB2 H 2.570 . 2 147 17 17 ASP HB3 H 3.091 . 2 148 17 17 ASP CA C 53.450 . 1 149 17 17 ASP CB C 40.500 . 1 150 17 17 ASP N N 121.150 . 1 151 18 18 GLY H H 8.162 . 1 152 18 18 GLY HA2 H 3.550 . 2 153 18 18 GLY HA3 H 4.380 . 2 154 18 18 GLY CA C 45.000 . 1 155 18 18 GLY N N 109.580 . 1 156 19 19 ARG H H 8.186 . 1 157 19 19 ARG HA H 4.400 . 1 158 19 19 ARG HB2 H 2.000 . 2 159 19 19 ARG HB3 H 2.208 . 2 160 19 19 ARG HG2 H 1.670 . 2 161 19 19 ARG HG3 H 1.670 . 2 162 19 19 ARG HD2 H 2.780 . 2 163 19 19 ARG HD3 H 2.970 . 2 164 19 19 ARG CA C 57.200 . 1 165 19 19 ARG CB C 32.500 . 1 166 19 19 ARG CG C 27.670 . 1 167 19 19 ARG CD C 43.600 . 1 168 19 19 ARG N N 122.570 . 1 169 20 20 VAL H H 8.350 . 1 170 20 20 VAL HA H 4.790 . 1 171 20 20 VAL HB H 1.880 . 1 172 20 20 VAL HG1 H 0.680 . 2 173 20 20 VAL HG2 H 0.945 . 2 174 20 20 VAL CA C 61.600 . 1 175 20 20 VAL CB C 33.360 . 1 176 20 20 VAL CG1 C 21.500 . 1 177 20 20 VAL CG2 C 21.500 . 1 178 20 20 VAL N N 123.560 . 1 179 21 21 PHE H H 8.620 . 1 180 21 21 PHE HA H 4.760 . 1 181 21 21 PHE HB2 H 2.302 . 2 182 21 21 PHE HB3 H 2.439 . 2 183 21 21 PHE CA C 55.300 . 1 184 21 21 PHE CB C 40.000 . 1 185 21 21 PHE CD1 C 128.800 . 3 186 21 21 PHE CD2 C 128.800 . 3 187 21 21 PHE CE1 C 126.800 . 3 188 21 21 PHE CE2 C 126.800 . 3 189 21 21 PHE CZ C 126.800 . 1 190 21 21 PHE N N 122.500 . 1 191 22 22 PHE H H 8.691 . 1 192 22 22 PHE HA H 5.435 . 1 193 22 22 PHE HB2 H 2.830 . 2 194 22 22 PHE HB3 H 3.140 . 2 195 22 22 PHE CA C 56.660 . 1 196 22 22 PHE CB C 42.700 . 1 197 22 22 PHE CD1 C 128.800 . 3 198 22 22 PHE CD2 C 128.800 . 3 199 22 22 PHE CE1 C 127.860 . 3 200 22 22 PHE CE2 C 127.860 . 3 201 22 22 PHE N N 117.108 . 1 202 23 23 ILE H H 9.245 . 1 203 23 23 ILE HA H 4.960 . 1 204 23 23 ILE HB H 1.410 . 1 205 23 23 ILE HG12 H 0.619 . 1 206 23 23 ILE HG13 H 1.320 . 1 207 23 23 ILE HG2 H 0.446 . 1 208 23 23 ILE HD1 H 0.651 . 1 209 23 23 ILE CA C 59.100 . 1 210 23 23 ILE CB C 42.500 . 1 211 23 23 ILE CG1 C 27.630 . 1 212 23 23 ILE CG2 C 16.600 . 1 213 23 23 ILE CD1 C 14.560 . 1 214 23 23 ILE N N 121.800 . 1 215 24 24 ASN H H 8.358 . 1 216 24 24 ASN HA H 4.340 . 1 217 24 24 ASN HB2 H -0.091 . 2 218 24 24 ASN HB3 H 1.738 . 2 219 24 24 ASN HD21 H 6.940 . 2 220 24 24 ASN HD22 H 8.08 . 2 221 24 24 ASN CA C 50.790 . 1 222 24 24 ASN CB C 37.100 . 1 223 24 24 ASN N N 125.030 . 1 224 24 24 ASN ND2 N 110.809 . 1 225 25 25 HIS H H 8.610 . 1 226 25 25 HIS HA H 4.216 . 1 227 25 25 HIS HB2 H 3.035 . 2 228 25 25 HIS HB3 H 3.035 . 2 229 25 25 HIS CA C 58.660 . 1 230 25 25 HIS CB C 30.700 . 1 231 25 25 HIS CD2 C 115.500 . 1 232 25 25 HIS N N 125.140 . 1 233 26 26 ASN H H 8.348 . 1 234 26 26 ASN HA H 4.420 . 1 235 26 26 ASN HB2 H 2.740 . 2 236 26 26 ASN HB3 H 2.930 . 2 237 26 26 ASN HD21 H 7.510 . 2 238 26 26 ASN HD22 H 7.220 . 2 239 26 26 ASN CA C 56.000 . 1 240 26 26 ASN CB C 38.300 . 1 241 26 26 ASN N N 118.770 . 1 242 26 26 ASN ND2 N 115.100 . 1 243 27 27 ILE H H 6.740 . 1 244 27 27 ILE HA H 4.375 . 1 245 27 27 ILE HB H 1.980 . 1 246 27 27 ILE HG12 H 0.600 . 1 247 27 27 ILE HG13 H 0.970 . 1 248 27 27 ILE HG2 H 0.734 . 1 249 27 27 ILE HD1 H 0.747 . 1 250 27 27 ILE CA C 60.330 . 1 251 27 27 ILE CB C 38.200 . 1 252 27 27 ILE CG1 C 25.600 . 1 253 27 27 ILE CG2 C 17.400 . 1 254 27 27 ILE CD1 C 13.750 . 1 255 28 28 LYS H H 7.520 . 1 256 28 28 LYS HA H 3.740 . 1 257 28 28 LYS HB2 H 1.720 . 2 258 28 28 LYS HB3 H 2.000 . 2 259 28 28 LYS HG2 H 1.246 . 2 260 28 28 LYS HG3 H 1.246 . 2 261 28 28 LYS CA C 57.000 . 1 262 28 28 LYS CB C 29.000 . 1 263 28 28 LYS CG C 24.800 . 1 264 28 28 LYS N N 120.828 . 1 265 29 29 LYS H H 7.420 . 1 266 29 29 LYS HA H 4.764 . 1 267 29 29 LYS HB2 H 1.471 . 2 268 29 29 LYS HB3 H 1.606 . 2 269 29 29 LYS HG2 H 1.400 . 2 270 29 29 LYS HG3 H 1.410 . 2 271 29 29 LYS CA C 54.800 . 1 272 29 29 LYS CB C 37.500 . 1 273 29 29 LYS CG C 25.200 . 1 274 29 29 LYS N N 120.225 . 1 275 30 30 THR H H 8.350 . 1 276 30 30 THR HA H 5.290 . 1 277 30 30 THR HB H 3.872 . 1 278 30 30 THR HG2 H 0.980 . 1 279 30 30 THR CA C 60.880 . 1 280 30 30 THR CB C 70.940 . 1 281 30 30 THR CG2 C 21.930 . 1 282 30 30 THR N N 119.610 . 1 283 31 31 GLN H H 9.440 . 1 284 31 31 GLN HA H 4.920 . 1 285 31 31 GLN HB2 H 2.310 . 2 286 31 31 GLN HB3 H 2.660 . 2 287 31 31 GLN HG2 H 2.410 . 2 288 31 31 GLN HG3 H 2.410 . 2 289 31 31 GLN HE21 H 7.651 . 2 290 31 31 GLN HE22 H 6.850 . 2 291 31 31 GLN CA C 54.570 . 1 292 31 31 GLN CB C 32.100 . 1 293 31 31 GLN CG C 32.100 . 1 294 31 31 GLN N N 120.480 . 1 295 31 31 GLN NE2 N 114.800 . 1 296 32 32 TRP H H 8.710 . 1 297 32 32 TRP HA H 4.896 . 1 298 32 32 TRP HB2 H 3.080 . 2 299 32 32 TRP HB3 H 3.580 . 2 300 32 32 TRP HE1 H 9.960 . 3 301 32 32 TRP CA C 58.200 . 1 302 32 32 TRP CB C 30.220 . 1 303 32 32 TRP CD1 C 124.200 . 1 304 32 32 TRP CE3 C 118.100 . 1 305 32 32 TRP CZ2 C 110.400 . 1 306 32 32 TRP CZ3 C 118.600 . 1 307 32 32 TRP CH2 C 120.180 . 1 308 32 32 TRP N N 121.480 . 1 309 32 32 TRP NE1 N 129.700 . 1 310 33 33 GLU H H 8.072 . 1 311 33 33 GLU HA H 4.240 . 1 312 33 33 GLU HB2 H 1.740 . 2 313 33 33 GLU HB3 H 1.880 . 2 314 33 33 GLU HG2 H 2.170 . 2 315 33 33 GLU HG3 H 2.340 . 2 316 33 33 GLU CA C 57.200 . 1 317 33 33 GLU CB C 29.550 . 1 318 33 33 GLU CG C 36.600 . 1 319 33 33 GLU N N 119.300 . 1 320 34 34 ASP H H 8.350 . 1 321 34 34 ASP HA H 3.102 . 1 322 34 34 ASP HB2 H 2.300 . 2 323 34 34 ASP HB3 H 2.580 . 2 324 34 34 ASP CA C 50.720 . 1 325 34 34 ASP CB C 41.730 . 1 326 34 34 ASP N N 125.850 . 1 327 35 35 PRO HA H 3.930 . 1 328 35 35 PRO HB2 H 0.760 . 2 329 35 35 PRO HB3 H 0.781 . 2 330 35 35 PRO HG2 H 0.190 . 2 331 35 35 PRO HG3 H 0.510 . 2 332 35 35 PRO HD2 H 2.500 . 2 333 35 35 PRO HD3 H 2.550 . 2 334 35 35 PRO CA C 63.100 . 1 335 35 35 PRO CB C 30.900 . 1 336 35 35 PRO CG C 26.030 . 1 337 35 35 PRO CD C 49.700 . 1 338 36 36 ARG H H 8.577 . 1 339 36 36 ARG HA H 3.873 . 1 340 36 36 ARG HB2 H 1.540 . 2 341 36 36 ARG HB3 H 1.800 . 2 342 36 36 ARG HG2 H 1.202 . 2 343 36 36 ARG HG3 H 1.714 . 2 344 36 36 ARG HD2 H 2.840 . 2 345 36 36 ARG CA C 57.200 . 1 346 36 36 ARG CB C 30.200 . 1 347 36 36 ARG CG C 27.670 . 1 348 36 36 ARG CD C 42.800 . 1 349 36 36 ARG N N 119.678 . 1 350 37 37 MET H H 7.477 . 1 351 37 37 MET HA H 4.380 . 1 352 37 37 MET HB2 H 1.910 . 2 353 37 37 MET HB3 H 2.110 . 2 354 37 37 MET HG2 H 2.370 . 2 355 37 37 MET HG3 H 2.480 . 2 356 37 37 MET HE H 0.790 . 1 357 37 37 MET CA C 55.000 . 1 358 37 37 MET CB C 32.500 . 1 359 37 37 MET CG C 32.500 . 1 360 37 37 MET N N 118.110 . 1 361 38 38 GLN H H 7.680 . 1 362 38 38 GLN HA H 4.288 . 1 363 38 38 GLN HB2 H 2.040 . 2 364 38 38 GLN HB3 H 2.040 . 2 365 38 38 GLN HG2 H 2.270 . 2 366 38 38 GLN HG3 H 2.250 . 2 367 38 38 GLN HE21 H 7.500 . 2 368 38 38 GLN HE22 H 6.770 . 2 369 38 38 GLN CA C 55.500 . 1 370 38 38 GLN CB C 29.800 . 1 371 38 38 GLN CG C 33.800 . 1 372 38 38 GLN N N 121.700 . 1 373 38 38 GLN NE2 N 113.800 . 1 374 39 39 ASN H H 7.980 . 1 375 39 39 ASN HA H 4.430 . 1 376 39 39 ASN HB2 H 2.602 . 2 377 39 39 ASN HB3 H 2.716 . 2 378 39 39 ASN HD21 H 7.430 . 2 379 39 39 ASN HD22 H 6.730 . 2 380 39 39 ASN CA C 54.800 . 1 381 39 39 ASN CB C 40.440 . 1 382 39 39 ASN N N 126.940 . 1 383 39 39 ASN ND2 N 113.800 . 1 stop_ save_