data_5210 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of sTva47, the Viral-Binding Domain of Tva ; _BMRB_accession_number 5210 _BMRB_flat_file_name bmr5210.str _Entry_type original _Submission_date 2001-11-15 _Accession_date 2001-11-15 _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 Tonelli M. . . 2 Peters R. J. . 3 James T. L. . 4 Agard D. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 235 "13C chemical shifts" 135 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-05 original author . stop_ _Original_release_date 2002-02-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Solution Structure of the Viral-Binding Domain of Tva, the Cellular Receptor for Subgroup A Avian Leukosis and Sarcoma Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11768384 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tonelli M. . . 2 Peters R. J. . 3 James T. L. . 4 Agard D. A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 509 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 161 _Page_last 168 _Year 2001 _Details . loop_ _Keyword '3-10 helix' 'beta hairpin' 'calcium binding' stop_ save_ ################################## # Molecular system description # ################################## save_system_sTva47 _Saveframe_category molecular_system _Mol_system_name 'subgroup A Rous Sarcoma virus receptors PG800 and PG950' _Abbreviation_common sTva47 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subgroup A Rous Sarcoma virus receptors' $sTva47 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function ; This molecule (sTva47) represent only a portion of the extracellular domain of the receptor called Tva that binds to the envelope glycoprotein of subgroup A Avian Leukosis and Sarcoma virus. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sTva47 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'subgroup A Rous Sarcoma virus receptors' _Abbreviation_common sTva47 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; ISEFGSCPPGQFRCSEPPGA HGECYPQDWLCDGHPDCDDG RDEWGCG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 ILE 2 -4 SER 3 -3 GLU 4 -2 PHE 5 -1 GLY 6 10 SER 7 11 CYS 8 12 PRO 9 13 PRO 10 14 GLY 11 15 GLN 12 16 PHE 13 17 ARG 14 18 CYS 15 19 SER 16 20 GLU 17 21 PRO 18 22 PRO 19 23 GLY 20 24 ALA 21 25 HIS 22 26 GLY 23 27 GLU 24 28 CYS 25 29 TYR 26 30 PRO 27 31 GLN 28 32 ASP 29 33 TRP 30 34 LEU 31 35 CYS 32 36 ASP 33 37 GLY 34 38 HIS 35 39 PRO 36 40 ASP 37 41 CYS 38 42 ASP 39 43 ASP 40 44 GLY 41 45 ARG 42 46 ASP 43 47 GLU 44 48 TRP 45 49 GLY 46 50 CYS 47 51 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1JRF "Nmr Solution Structure Of The Viral Receptor Domain Of Tva" 87.23 47 100.00 100.00 1.62e-20 PDB 1K7B "Nmr Solution Structure Of Stva47, The Viral-Binding Domain Of Tva" 100.00 47 100.00 100.00 1.91e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sTva47 Quail 9008 Eukaryota Metazoa Callipepla . 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 $sTva47 'recombinant technology' 'E. coli' . . . . 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 $sTva47 2 mM '[U-15N; U-13C]' 'sodium acetate' 50 mM [U-2H] 'calcium cloride' 5 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version sgi6x loop_ _Task processing stop_ _Details Delaglio save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3 loop_ _Task 'data analysis' stop_ _Details Goddard save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task refinement stop_ _Details Guntert save_ save_AMBER _Saveframe_category software _Name AMBER _Version 6.0 loop_ _Task refinement stop_ _Details Kollman save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.065 . M pH 5.5 . n/a pressure 1 . atm temperature 313 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O C 13 protons ppm 4.895 internal indirect . . . 0.251449530 $entry_citation $entry_citation H2O H 1 protons ppm 4.895 internal direct . . . 1.0 $entry_citation $entry_citation H2O N 15 protons ppm 4.895 internal indirect . . . 0.10139118 $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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'subgroup A Rous Sarcoma virus receptors' _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 ILE CA C 61.116 0.025 1 2 . 1 ILE CB C 39.706 0.029 1 3 . 1 ILE CD1 C 13.887 0.050 1 4 . 1 ILE CG1 C 27.346 0.030 1 5 . 1 ILE CG2 C 17.440 0.016 1 6 . 1 ILE HA H 3.929 0.006 1 7 . 1 ILE HB H 1.991 0.008 1 8 . 1 ILE HD1 H 0.939 0.009 1 9 . 1 ILE HG12 H 1.526 0.007 2 10 . 1 ILE HG13 H 1.259 0.004 2 11 . 1 ILE HG2 H 1.007 0.013 1 12 . 2 SER CA C 58.776 0.024 1 13 . 2 SER CB C 64.402 0.028 1 14 . 2 SER H H 8.762 0.002 1 15 . 2 SER HA H 4.523 0.009 1 16 . 2 SER HB2 H 3.847 0.011 2 17 . 2 SER N N 120.294 0.007 1 18 . 3 GLU N N 123.909 0.025 1 19 . 3 GLU H H 8.706 0.005 1 20 . 3 GLU CA C 57.342 0.032 1 21 . 3 GLU CB C 30.786 0.041 1 22 . 3 GLU CG C 36.475 0.065 1 23 . 3 GLU HA H 4.243 0.012 1 24 . 3 GLU HB2 H 1.880 0.005 2 25 . 3 GLU HG2 H 2.101 0.005 2 26 . 4 PHE H H 8.444 0.002 1 27 . 4 PHE N N 120.922 0.029 1 28 . 4 PHE CA C 58.366 0.050 1 29 . 4 PHE CB C 40.176 0.026 1 30 . 4 PHE CD1 C 131.798 0.047 3 31 . 4 PHE CE1 C 129.965 0.000 3 32 . 4 PHE HA H 4.662 0.008 1 33 . 4 PHE HB2 H 3.220 0.007 2 34 . 4 PHE HB3 H 2.978 0.009 2 35 . 4 PHE HD2 H 7.249 0.008 3 36 . 4 PHE HE2 H 7.274 0.004 3 37 . 5 GLY CA C 45.779 0.087 1 38 . 5 GLY H H 8.410 0.006 1 39 . 5 GLY HA2 H 3.954 0.010 2 40 . 5 GLY N N 110.673 0.050 1 41 . 6 SER CA C 59.030 0.027 1 42 . 6 SER CB C 64.714 0.036 1 43 . 6 SER H H 8.291 0.008 1 44 . 6 SER HA H 4.481 0.006 1 45 . 6 SER HB2 H 3.911 0.001 2 46 . 6 SER N N 116.126 0.028 1 47 . 7 CYS CA C 53.932 0.002 1 48 . 7 CYS CB C 40.259 0.029 1 49 . 7 CYS H H 8.654 0.006 1 50 . 7 CYS HA H 4.999 0.004 1 51 . 7 CYS HB2 H 2.878 0.005 2 52 . 7 CYS HB3 H 2.534 0.007 2 53 . 7 CYS N N 121.168 0.024 1 54 . 8 PRO CA C 62.589 0.036 1 55 . 8 PRO CB C 31.139 0.020 1 56 . 8 PRO CD C 51.065 0.045 1 57 . 8 PRO CG C 28.489 0.015 1 58 . 8 PRO HA H 4.664 0.004 1 59 . 8 PRO HB2 H 2.422 0.010 2 60 . 8 PRO HB3 H 1.592 0.006 2 61 . 8 PRO HD2 H 3.869 0.007 2 62 . 8 PRO HD3 H 3.371 0.006 2 63 . 8 PRO HG2 H 1.917 0.007 2 64 . 9 PRO CA C 64.416 0.065 1 65 . 9 PRO CB C 32.269 0.038 1 66 . 9 PRO CD C 50.844 0.060 1 67 . 9 PRO CG C 28.479 0.049 1 68 . 9 PRO HA H 4.356 0.005 1 69 . 9 PRO HB2 H 2.346 0.009 2 70 . 9 PRO HB3 H 1.883 0.007 2 71 . 9 PRO HD2 H 3.842 0.007 2 72 . 9 PRO HD3 H 3.560 0.006 2 73 . 9 PRO HG2 H 2.144 0.004 2 74 . 9 PRO HG3 H 2.044 0.008 2 75 . 10 GLY CA C 45.877 0.046 1 76 . 10 GLY H H 8.939 0.005 1 77 . 10 GLY HA2 H 4.281 0.008 2 78 . 10 GLY HA3 H 3.723 0.009 2 79 . 10 GLY N N 111.888 0.035 1 80 . 11 GLN CA C 55.536 0.030 1 81 . 11 GLN CB C 32.828 0.051 1 82 . 11 GLN CG C 34.506 0.033 1 83 . 11 GLN H H 7.884 0.006 1 84 . 11 GLN HA H 5.276 0.007 1 85 . 11 GLN HB2 H 1.966 0.008 2 86 . 11 GLN HB3 H 1.841 0.008 2 87 . 11 GLN HE21 H 7.197 0.004 2 88 . 11 GLN HE22 H 6.456 0.006 2 89 . 11 GLN HG2 H 2.133 0.010 2 90 . 11 GLN HG3 H 1.954 0.009 2 91 . 11 GLN NE2 N 108.354 0.062 1 92 . 12 PHE CA C 56.524 0.033 1 93 . 12 PHE CB C 43.453 0.029 1 94 . 12 PHE CD1 C 132.440 0.108 3 95 . 12 PHE CE1 C 131.864 0.156 3 96 . 12 PHE CZ C 128.735 0.052 1 97 . 12 PHE H H 9.419 0.007 1 98 . 12 PHE HA H 5.081 0.008 1 99 . 12 PHE HB2 H 3.160 0.008 2 100 . 12 PHE HB3 H 2.937 0.007 2 101 . 12 PHE HD2 H 6.928 0.011 3 102 . 12 PHE HE2 H 7.327 0.011 3 103 . 12 PHE HZ H 7.108 0.010 1 104 . 13 ARG CA C 54.732 0.037 1 105 . 13 ARG CB C 34.215 0.029 1 106 . 13 ARG CD C 44.363 0.016 1 107 . 13 ARG CG C 28.175 0.046 1 108 . 13 ARG H H 8.517 0.007 1 109 . 13 ARG HA H 4.798 0.004 1 110 . 13 ARG HB2 H 1.832 0.005 2 111 . 13 ARG HB3 H 1.690 0.012 2 112 . 13 ARG HD2 H 3.105 0.006 2 113 . 13 ARG HE H 6.904 0.009 1 114 . 13 ARG HG2 H 1.616 0.013 2 115 . 13 ARG HH11 H 6.826 0.012 2 116 . 13 ARG HH21 H 6.392 0.012 2 117 . 13 ARG N N 118.871 0.051 1 118 . 13 ARG NE N 113.260 0.042 1 119 . 14 CYS CA C 55.675 0.050 1 120 . 14 CYS CB C 39.367 0.032 1 121 . 14 CYS H H 8.766 0.003 1 122 . 14 CYS HA H 4.777 0.007 1 123 . 14 CYS HB2 H 3.710 0.006 2 124 . 14 CYS HB3 H 2.921 0.006 2 125 . 14 CYS N N 121.696 0.078 1 126 . 15 SER CA C 59.584 0.033 1 127 . 15 SER CB C 63.847 0.087 1 128 . 15 SER H H 8.557 0.019 1 129 . 15 SER HA H 4.379 0.005 1 130 . 15 SER HB2 H 3.893 0.010 2 131 . 15 SER N N 115.526 0.131 1 132 . 16 GLU CA C 54.781 0.053 1 133 . 16 GLU CB C 30.917 0.060 1 134 . 16 GLU CG C 36.058 0.104 1 135 . 16 GLU H H 8.496 0.009 1 136 . 16 GLU HA H 4.766 0.006 1 137 . 16 GLU HB2 H 2.095 0.006 2 138 . 16 GLU HB3 H 1.854 0.008 2 139 . 16 GLU HG2 H 2.270 0.006 2 140 . 16 GLU N N 123.886 0.041 1 141 . 17 PRO CA C 62.418 0.025 1 142 . 17 PRO CB C 31.191 0.036 1 143 . 17 PRO CD C 51.133 0.032 1 144 . 17 PRO CG C 27.938 0.047 1 145 . 17 PRO HA H 4.754 0.008 1 146 . 17 PRO HB2 H 2.374 0.007 2 147 . 17 PRO HB3 H 1.905 0.005 2 148 . 17 PRO HD2 H 3.808 0.009 2 149 . 17 PRO HD3 H 3.603 0.006 2 150 . 17 PRO HG2 H 2.008 0.006 2 151 . 18 PRO CA C 64.503 0.051 1 152 . 18 PRO CB C 32.210 0.048 1 153 . 18 PRO CD C 50.891 0.028 1 154 . 18 PRO CG C 28.403 0.002 1 155 . 18 PRO HA H 4.373 0.006 1 156 . 18 PRO HB2 H 2.317 0.009 2 157 . 18 PRO HB3 H 1.910 0.005 2 158 . 18 PRO HD2 H 3.861 0.007 2 159 . 18 PRO HD3 H 3.634 0.006 2 160 . 18 PRO HG2 H 2.141 0.008 2 161 . 18 PRO HG3 H 2.061 0.002 2 162 . 19 GLY CA C 45.931 0.074 1 163 . 19 GLY H H 8.704 0.009 1 164 . 19 GLY HA2 H 4.095 0.010 2 165 . 19 GLY HA3 H 3.773 0.007 2 166 . 19 GLY N N 111.670 0.037 1 167 . 20 ALA CA C 52.561 0.072 1 168 . 20 ALA CB C 20.607 0.020 1 169 . 20 ALA H H 7.896 0.004 1 170 . 20 ALA HA H 4.362 0.004 1 171 . 20 ALA HB H 1.375 0.005 1 172 . 20 ALA N N 123.238 0.038 1 173 . 21 HIS CA C 55.654 0.047 1 174 . 21 HIS CB C 29.709 0.059 1 175 . 21 HIS CD2 C 120.138 0.010 1 176 . 21 HIS CE1 C 136.716 0.025 1 177 . 21 HIS H H 8.550 0.014 1 178 . 21 HIS HA H 4.749 0.002 1 179 . 21 HIS HB2 H 3.198 0.004 2 180 . 21 HIS HB3 H 3.119 0.003 2 181 . 21 HIS HD2 H 7.232 0.013 2 182 . 21 HIS HE1 H 8.515 0.001 1 183 . 21 HIS N N 117.112 0.045 1 184 . 22 GLY CA C 45.549 0.049 1 185 . 22 GLY H H 8.807 0.009 1 186 . 22 GLY HA2 H 4.110 0.006 2 187 . 22 GLY HA3 H 3.788 0.007 2 188 . 22 GLY N N 111.290 0.034 1 189 . 23 GLU CA C 56.607 0.038 1 190 . 23 GLU CB C 31.687 0.026 1 191 . 23 GLU CG C 36.503 0.061 1 192 . 23 GLU H H 8.315 0.004 1 193 . 23 GLU HA H 4.148 0.008 1 194 . 23 GLU HB2 H 1.716 0.007 2 195 . 23 GLU HG2 H 2.207 0.009 2 196 . 23 GLU N N 121.183 0.041 1 197 . 24 CYS CA C 56.174 0.012 1 198 . 24 CYS CB C 45.087 0.065 1 199 . 24 CYS H H 8.123 0.005 1 200 . 24 CYS HA H 4.592 0.008 1 201 . 24 CYS HB2 H 2.953 0.008 2 202 . 24 CYS HB3 H 2.855 0.003 2 203 . 24 CYS N N 118.669 0.049 1 204 . 25 TYR CA C 53.895 0.012 1 205 . 25 TYR CB C 39.401 0.032 1 206 . 25 TYR CD1 C 132.697 0.059 3 207 . 25 TYR CE1 C 118.121 0.067 3 208 . 25 TYR H H 9.093 0.004 1 209 . 25 TYR HA H 4.554 0.008 1 210 . 25 TYR HB2 H 2.222 0.006 2 211 . 25 TYR HB3 H 1.501 0.004 2 212 . 25 TYR HD1 H 6.726 0.014 3 213 . 25 TYR HE1 H 6.837 0.012 3 214 . 25 TYR N N 123.470 0.023 1 215 . 26 PRO CA C 63.613 0.037 1 216 . 26 PRO CB C 33.156 0.037 1 217 . 26 PRO CD C 49.868 0.020 1 218 . 26 PRO CG C 27.701 0.029 1 219 . 26 PRO HA H 4.269 0.005 1 220 . 26 PRO HB2 H 2.202 0.006 2 221 . 26 PRO HB3 H 1.582 0.013 2 222 . 26 PRO HD2 H 3.069 0.010 2 223 . 26 PRO HD3 H 1.533 0.014 2 224 . 26 PRO HG2 H 1.492 0.008 2 225 . 26 PRO HG3 H 1.120 0.009 2 226 . 27 GLN CA C 59.443 0.017 1 227 . 27 GLN CB C 28.575 0.038 1 228 . 27 GLN CG C 34.645 0.034 1 229 . 27 GLN H H 8.613 0.007 1 230 . 27 GLN HA H 4.186 0.006 1 231 . 27 GLN HB2 H 2.094 0.010 2 232 . 27 GLN HE21 H 7.445 0.005 2 233 . 27 GLN HE22 H 6.914 0.007 2 234 . 27 GLN HG2 H 2.458 0.007 2 235 . 27 GLN HG3 H 2.297 0.006 2 236 . 27 GLN N N 120.900 0.025 1 237 . 27 GLN NE2 N 111.235 0.019 1 238 . 28 ASP CA C 56.538 0.048 1 239 . 28 ASP CB C 40.629 0.060 1 240 . 28 ASP H H 8.476 0.008 1 241 . 28 ASP HA H 4.601 0.008 1 242 . 28 ASP HB2 H 2.906 0.008 2 243 . 28 ASP HB3 H 2.689 0.006 2 244 . 28 ASP N N 117.783 0.053 1 245 . 29 TRP CA C 56.508 0.046 1 246 . 29 TRP CB C 28.624 0.038 1 247 . 29 TRP CD1 C 123.801 0.047 1 248 . 29 TRP CE3 C 120.601 0.025 1 249 . 29 TRP CH2 C 124.395 0.092 1 250 . 29 TRP CZ2 C 114.015 0.070 1 251 . 29 TRP CZ3 C 121.798 0.041 1 252 . 29 TRP H H 8.340 0.010 1 253 . 29 TRP HA H 5.203 0.007 1 254 . 29 TRP HB2 H 4.041 0.010 2 255 . 29 TRP HB3 H 3.419 0.009 2 256 . 29 TRP HD1 H 6.900 0.012 1 257 . 29 TRP HE1 H 9.940 0.007 1 258 . 29 TRP HE3 H 6.988 0.007 1 259 . 29 TRP HH2 H 7.060 0.010 1 260 . 29 TRP HZ2 H 7.417 0.007 1 261 . 29 TRP HZ3 H 6.228 0.015 1 262 . 29 TRP N N 117.512 0.050 1 263 . 29 TRP NE1 N 126.636 0.018 1 264 . 30 LEU CA C 55.986 0.038 1 265 . 30 LEU CB C 41.819 0.045 1 266 . 30 LEU CD1 C 22.834 0.014 1 267 . 30 LEU CD2 C 25.772 0.044 1 268 . 30 LEU CG C 27.579 0.035 1 269 . 30 LEU H H 8.258 0.010 1 270 . 30 LEU HA H 4.383 0.009 1 271 . 30 LEU HB2 H 1.936 0.017 2 272 . 30 LEU HB3 H 1.268 0.008 2 273 . 30 LEU HD1 H 0.031 0.008 1 274 . 30 LEU HD2 H 0.724 0.007 1 275 . 30 LEU HG H 1.258 0.009 1 276 . 30 LEU N N 126.444 0.043 1 277 . 31 CYS CA C 55.658 0.035 1 278 . 31 CYS CB C 35.944 0.039 1 279 . 31 CYS H H 8.549 0.006 1 280 . 31 CYS HA H 4.909 0.007 1 281 . 31 CYS HB2 H 3.393 0.005 2 282 . 31 CYS HB3 H 3.014 0.008 2 283 . 31 CYS N N 119.061 0.040 1 284 . 32 ASP CA C 53.008 0.015 1 285 . 32 ASP CB C 41.893 0.031 1 286 . 32 ASP H H 9.478 0.006 1 287 . 32 ASP HA H 4.913 0.007 1 288 . 32 ASP HB2 H 3.149 0.005 2 289 . 32 ASP HB3 H 2.830 0.004 2 290 . 32 ASP N N 120.846 0.038 1 291 . 33 GLY CA C 45.987 0.025 1 292 . 33 GLY H H 9.537 0.006 1 293 . 33 GLY HA2 H 4.227 0.006 2 294 . 33 GLY HA3 H 3.577 0.006 2 295 . 33 GLY N N 111.313 0.026 1 296 . 34 HIS CA C 52.836 0.016 1 297 . 34 HIS CB C 30.942 0.045 1 298 . 34 HIS CD2 C 120.681 0.199 1 299 . 34 HIS CE1 C 136.533 0.022 1 300 . 34 HIS H H 7.697 0.006 1 301 . 34 HIS HA H 5.195 0.006 1 302 . 34 HIS HB2 H 3.183 0.009 2 303 . 34 HIS HB3 H 3.029 0.006 2 304 . 34 HIS HD2 H 7.269 0.009 2 305 . 34 HIS HE1 H 8.389 0.003 1 306 . 34 HIS N N 118.219 0.039 1 307 . 35 PRO CA C 63.455 0.041 1 308 . 35 PRO CB C 30.898 0.023 1 309 . 35 PRO CD C 51.086 0.029 1 310 . 35 PRO CG C 28.164 0.018 1 311 . 35 PRO HA H 4.681 0.004 1 312 . 35 PRO HB2 H 2.151 0.006 2 313 . 35 PRO HB3 H 2.018 0.005 2 314 . 35 PRO HD2 H 3.731 0.007 2 315 . 35 PRO HD3 H 3.251 0.010 2 316 . 35 PRO HG2 H 2.191 0.010 2 317 . 35 PRO HG3 H 2.020 0.005 2 318 . 36 ASP CA C 57.203 0.045 1 319 . 36 ASP CB C 44.437 0.016 1 320 . 36 ASP H H 10.649 0.005 1 321 . 36 ASP HA H 4.584 0.008 1 322 . 36 ASP HB2 H 2.441 0.013 2 323 . 36 ASP N N 130.546 0.047 1 324 . 37 CYS CA C 52.755 0.088 1 325 . 37 CYS CB C 38.818 0.055 1 326 . 37 CYS H H 8.385 0.006 1 327 . 37 CYS HA H 5.235 0.014 1 328 . 37 CYS HB2 H 3.890 0.005 2 329 . 37 CYS HB3 H 2.787 0.004 2 330 . 37 CYS N N 117.859 0.042 1 331 . 38 ASP N N 126.492 0.058 1 332 . 38 ASP CA C 58.333 0.048 1 333 . 38 ASP CB C 40.613 0.032 1 334 . 38 ASP H H 9.802 0.005 1 335 . 38 ASP HA H 4.359 0.003 1 336 . 38 ASP HB2 H 2.800 0.007 2 337 . 39 ASP CA C 53.013 0.027 1 338 . 39 ASP CB C 41.038 0.051 1 339 . 39 ASP H H 7.998 0.010 1 340 . 39 ASP HA H 4.690 0.008 1 341 . 39 ASP HB2 H 3.226 0.008 2 342 . 39 ASP HB3 H 2.701 0.008 2 343 . 39 ASP N N 115.726 0.055 1 344 . 40 GLY CA C 46.733 0.052 1 345 . 40 GLY H H 8.058 0.008 1 346 . 40 GLY HA2 H 4.072 0.009 2 347 . 40 GLY HA3 H 3.612 0.009 2 348 . 40 GLY N N 105.955 0.039 1 349 . 41 ARG CA C 58.668 0.018 1 350 . 41 ARG CB C 28.985 0.049 1 351 . 41 ARG CD C 44.218 0.032 1 352 . 41 ARG CG C 26.363 0.036 1 353 . 41 ARG H H 7.659 0.007 1 354 . 41 ARG HA H 2.197 0.005 1 355 . 41 ARG HB2 H 1.147 0.013 2 356 . 41 ARG HB3 H 1.050 0.006 2 357 . 41 ARG HD2 H 3.300 0.016 2 358 . 41 ARG HD3 H 3.013 0.005 2 359 . 41 ARG HE H 7.569 0.010 1 360 . 41 ARG HG2 H 1.381 0.010 2 361 . 41 ARG HG3 H 1.173 0.009 2 362 . 41 ARG N N 118.792 0.031 1 363 . 41 ARG NE N 112.589 0.071 1 364 . 42 ASP CA C 55.130 0.026 1 365 . 42 ASP CB C 41.256 0.032 1 366 . 42 ASP H H 9.699 0.005 1 367 . 42 ASP HA H 4.170 0.005 1 368 . 42 ASP HB2 H 2.864 0.008 2 369 . 42 ASP HB3 H 2.764 0.006 2 370 . 42 ASP N N 115.861 0.040 1 371 . 43 GLU CA C 54.903 0.036 1 372 . 43 GLU CB C 29.992 0.044 1 373 . 43 GLU CG C 36.433 0.065 1 374 . 43 GLU H H 7.997 0.005 1 375 . 43 GLU HA H 4.797 0.006 1 376 . 43 GLU HB2 H 2.603 0.010 2 377 . 43 GLU HB3 H 1.738 0.006 2 378 . 43 GLU HG2 H 2.065 0.008 2 379 . 43 GLU HG3 H 1.926 0.006 2 380 . 43 GLU N N 118.289 0.031 1 381 . 44 TRP CA C 56.251 0.048 1 382 . 44 TRP CB C 30.521 0.034 1 383 . 44 TRP CD1 C 125.060 0.050 1 384 . 44 TRP CE3 C 120.993 0.082 1 385 . 44 TRP CH2 C 125.119 0.009 1 386 . 44 TRP CZ2 C 114.780 0.042 1 387 . 44 TRP CZ3 C 122.221 0.021 1 388 . 44 TRP H H 7.463 0.007 1 389 . 44 TRP HA H 4.992 0.008 1 390 . 44 TRP HB2 H 3.381 0.004 2 391 . 44 TRP HB3 H 3.294 0.008 2 392 . 44 TRP HD1 H 6.967 0.009 1 393 . 44 TRP HE1 H 9.911 0.006 1 394 . 44 TRP HE3 H 7.613 0.008 1 395 . 44 TRP HH2 H 7.231 0.008 1 396 . 44 TRP HZ2 H 7.486 0.006 1 397 . 44 TRP HZ3 H 7.152 0.006 1 398 . 44 TRP N N 122.639 0.025 1 399 . 44 TRP NE1 N 127.630 0.033 1 400 . 45 GLY CA C 47.305 0.038 1 401 . 45 GLY H H 8.885 0.006 1 402 . 45 GLY HA2 H 3.860 0.008 2 403 . 45 GLY N N 111.962 0.028 1 404 . 46 CYS CA C 55.659 0.027 1 405 . 46 CYS CB C 39.586 0.026 1 406 . 46 CYS H H 8.057 0.006 1 407 . 46 CYS HA H 4.627 0.006 1 408 . 46 CYS HB2 H 3.250 0.006 2 409 . 46 CYS HB3 H 2.866 0.007 2 410 . 46 CYS N N 118.825 0.035 1 411 . 47 GLY CA C 46.850 0.058 1 412 . 47 GLY H H 8.351 0.005 1 413 . 47 GLY HA2 H 3.803 0.005 2 414 . 47 GLY N N 116.743 0.034 1 stop_ save_