data_19342 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transmembrane-cytosolic part of Trop2 explored by NMR and Molecular Dynamics ; _BMRB_accession_number 19342 _BMRB_flat_file_name bmr19342.str _Entry_type original _Submission_date 2013-07-08 _Accession_date 2013-07-08 _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 Vidmar Tilen . . 2 'Pav i' Miha . . 3 Ilc Gregor . . 4 Plavec Janez . . 5 'Lenar i' Brigita . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 175 "13C chemical shifts" 79 "15N chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19341 'Transmembrane-cytosolic part of Trop2 (by chemical sythesis)' stop_ _Original_release_date 2014-07-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Transmembrane-cytosolic part of Trop2 explored by NMR and Molecular Dynamics' _Citation_status 'in preparation' _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 Vidmar Tilen . . 2 'Pav i' Miha . . 3 Ilc Gregor . . 4 Plavec Janez . . 5 'Lenar i' Brigita . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Transmembrane-cytosolic part of Trop2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Transmembrane-cytosolic part of Trop2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3096.678 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; TNRRKSGKYKKVEIKELGEL RKEPSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 298 THR 2 299 ASN 3 300 ARG 4 301 ARG 5 302 LYS 6 303 SER 7 304 GLY 8 305 LYS 9 306 TYR 10 307 LYS 11 308 LYS 12 309 VAL 13 310 GLU 14 311 ILE 15 312 LYS 16 313 GLU 17 314 LEU 18 315 GLY 19 316 GLU 20 317 LEU 21 318 ARG 22 319 LYS 23 320 GLU 24 321 PRO 25 322 SER 26 323 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 BMRB 25274 entity 100.00 26 100.00 100.00 3.01e-07 PDB 2MVL "Solution Structure Of Cytosolic Part Of Trop2" 100.00 26 100.00 100.00 3.01e-07 EMBL CAA31781 "unnamed protein product [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 EMBL CAA54799 "gp50/Trop-2 [Homo sapiens]" 100.00 323 100.00 100.00 8.28e-07 EMBL CAA54801 "gp50/TROP-2 [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 EMBL CAG47056 "TACSTD2 [Homo sapiens]" 100.00 323 100.00 100.00 6.39e-07 GB AAA52505 "GA733-1 protein precursor [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 GB AAH09409 "Tumor-associated calcium signal transducer 2 [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 GB AAP35919 "tumor-associated calcium signal transducer 2 [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 GB AAP88905 "tumor-associated calcium signal transducer 2 [synthetic construct]" 100.00 324 100.00 100.00 6.42e-07 GB AAX29730 "tumor-associated calcium signal transducer 2, partial [synthetic construct]" 100.00 324 100.00 100.00 6.42e-07 REF NP_002344 "tumor-associated calcium signal transducer 2 precursor [Homo sapiens]" 100.00 323 100.00 100.00 7.27e-07 REF XP_002810812 "PREDICTED: tumor-associated calcium signal transducer 2 [Pongo abelii]" 100.00 323 100.00 100.00 7.20e-07 REF XP_003265191 "PREDICTED: tumor-associated calcium signal transducer 2 [Nomascus leucogenys]" 100.00 460 100.00 100.00 3.70e-06 REF XP_003824268 "PREDICTED: tumor-associated calcium signal transducer 2 [Pan paniscus]" 100.00 323 100.00 100.00 7.27e-07 REF XP_003892008 "PREDICTED: tumor-associated calcium signal transducer 2 [Papio anubis]" 100.00 330 100.00 100.00 7.81e-07 SP P09758 "RecName: Full=Tumor-associated calcium signal transducer 2; AltName: Full=Cell surface glycoprotein Trop-2; AltName: Full=Membr" 100.00 323 100.00 100.00 7.27e-07 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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_type _Vector_name $entity 'chemical synthesis' . . . . none none 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 $entity . mM 'natural abundance' DSS 5.5 mM 'natural abundance' TFE 70 % 'natural abundance' H2O 30 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address 'Krieger E.' . http://www.yasara.org/ stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details . 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_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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' 20 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 0 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H TOCSY' 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 'Transmembrane-cytosolic part of Trop2' _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 1 298 1 THR HA H 4.295 0.003 1 2 298 1 THR HB H 4.206 0.005 1 3 298 1 THR HG2 H 1.267 0.002 1 4 298 1 THR H H 7.892 0.002 1 5 298 1 THR CA C 72.579 0.000 1 6 298 1 THR CB C 62.268 0.000 1 7 298 1 THR CG2 C 23.933 0.000 1 8 298 1 THR N N 118.419 0.000 1 9 299 2 ASN H H 8.393 0.001 1 10 299 2 ASN HA H 4.761 0.002 1 11 299 2 ASN HB2 H 2.901 0.006 2 12 299 2 ASN HB3 H 2.883 0.003 2 13 299 2 ASN HD21 H 7.489 0.000 2 14 299 2 ASN HD22 H 6.697 0.001 2 15 299 2 ASN CA C 56.500 0.000 1 16 299 2 ASN CB C 41.171 0.001 1 17 299 2 ASN N N 120.008 0.000 1 18 299 2 ASN ND2 N 111.820 0.004 1 19 300 3 ARG H H 8.131 0.002 1 20 300 3 ARG HA H 4.365 0.002 1 21 300 3 ARG HB2 H 1.971 0.003 2 22 300 3 ARG HB3 H 1.849 0.001 2 23 300 3 ARG HG2 H 1.710 0.002 1 24 300 3 ARG HG3 H 1.710 0.002 1 25 300 3 ARG HD2 H 3.240 0.001 1 26 300 3 ARG HD3 H 3.240 0.001 1 27 300 3 ARG CA C 59.583 0.000 1 28 300 3 ARG N N 121.296 0.000 1 29 301 4 ARG H H 7.871 0.001 1 30 301 4 ARG HA H 4.296 0.005 1 31 301 4 ARG HB2 H 2.024 0.005 2 32 301 4 ARG HB3 H 1.920 0.002 2 33 301 4 ARG HG2 H 1.827 0.002 2 34 301 4 ARG HG3 H 1.744 0.009 2 35 301 4 ARG HD2 H 3.231 0.000 2 36 301 4 ARG HD3 H 3.223 0.000 2 37 301 4 ARG CA C 63.089 2.383 1 38 301 4 ARG CB C 33.412 0.000 1 39 301 4 ARG CG C 30.159 0.056 1 40 301 4 ARG CD C 46.130 0.000 1 41 301 4 ARG N N 117.866 0.000 1 42 302 5 LYS H H 7.948 0.002 1 43 302 5 LYS HA H 4.114 0.003 1 44 302 5 LYS HB2 H 2.070 0.005 2 45 302 5 LYS HB3 H 1.695 0.007 2 46 302 5 LYS HG2 H 1.326 0.000 2 47 302 5 LYS HG3 H 1.324 0.000 2 48 302 5 LYS HD2 H 1.500 0.003 2 49 302 5 LYS HD3 H 1.505 0.000 2 50 302 5 LYS HE2 H 3.045 0.061 2 51 302 5 LYS HE3 H 3.009 0.004 2 52 302 5 LYS CA C 61.909 0.000 1 53 302 5 LYS CB C 30.029 0.074 1 54 302 5 LYS CE C 45.126 0.000 1 55 302 5 LYS N N 122.188 0.000 1 56 303 6 SER CA C 61.231 0.000 1 57 303 6 SER CB C 69.542 0.005 1 58 303 6 SER H H 8.484 0.002 1 59 303 6 SER HA H 4.547 0.002 1 60 303 6 SER HB2 H 4.328 0.004 2 61 303 6 SER HB3 H 4.246 0.003 2 62 303 6 SER N N 115.278 0.000 1 63 304 7 GLY H H 8.417 0.001 1 64 304 7 GLY HA2 H 4.011 0.002 2 65 304 7 GLY HA3 H 3.992 0.008 2 66 304 7 GLY CA C 49.704 0.003 1 67 304 7 GLY N N 110.844 0.000 1 68 305 8 LYS H H 7.998 0.001 1 69 305 8 LYS HA H 4.117 0.001 1 70 305 8 LYS HB2 H 1.869 0.001 2 71 305 8 LYS HB3 H 1.797 0.009 2 72 305 8 LYS HG2 H 1.313 0.005 2 73 305 8 LYS HG3 H 1.310 0.003 2 74 305 8 LYS HD2 H 1.682 0.000 1 75 305 8 LYS HD3 H 1.683 0.000 1 76 305 8 LYS HE2 H 2.962 0.005 2 77 305 8 LYS HE3 H 2.958 0.000 2 78 305 8 LYS CA C 62.171 0.000 1 79 305 8 LYS CG C 23.971 0.000 1 80 305 8 LYS CE C 45.070 0.000 1 81 305 8 LYS N N 121.459 0.000 1 82 306 9 TYR H H 7.780 0.000 1 83 306 9 TYR HA H 4.412 0.002 1 84 306 9 TYR HB2 H 3.085 0.002 2 85 306 9 TYR HB3 H 3.188 0.005 2 86 306 9 TYR HD1 H 7.152 0.000 1 87 306 9 TYR HD2 H 7.151 0.001 1 88 306 9 TYR HE1 H 6.873 0.000 1 89 306 9 TYR HE2 H 6.873 0.001 1 90 306 9 TYR CA C 62.792 0.000 1 91 306 9 TYR CB C 40.818 0.001 1 92 306 9 TYR CD1 C 136.693 0.000 1 93 306 9 TYR CD2 C 136.693 0.000 1 94 306 9 TYR CE1 C 121.993 0.000 1 95 306 9 TYR CE2 C 121.993 0.000 1 96 306 9 TYR N N 117.845 0.000 1 97 307 10 LYS H H 7.819 0.001 1 98 307 10 LYS HA H 4.132 0.003 1 99 307 10 LYS HB2 H 1.934 0.006 2 100 307 10 LYS HB3 H 1.790 0.012 2 101 307 10 LYS HG2 H 1.512 0.002 1 102 307 10 LYS HG3 H 1.511 0.000 1 103 307 10 LYS HD2 H 1.605 0.001 2 104 307 10 LYS HD3 H 1.585 0.000 2 105 307 10 LYS HE2 H 3.019 0.003 1 106 307 10 LYS HE3 H 3.018 0.000 1 107 307 10 LYS CA C 62.066 0.000 1 108 307 10 LYS CB C 33.394 0.018 1 109 307 10 LYS CD C 27.945 0.000 1 110 307 10 LYS N N 120.607 0.000 1 111 308 11 LYS H H 7.794 0.001 1 112 308 11 LYS HA H 4.038 0.002 1 113 308 11 LYS HB2 H 1.989 0.006 2 114 308 11 LYS HB3 H 1.930 0.003 2 115 308 11 LYS HD2 H 1.646 0.004 2 116 308 11 LYS HD3 H 1.467 0.002 2 117 308 11 LYS HE2 H 3.004 0.000 2 118 308 11 LYS HE3 H 2.997 0.000 2 119 308 11 LYS CA C 62.745 0.000 1 120 308 11 LYS CB C 33.356 0.019 1 121 308 11 LYS CD C 28.523 0.055 1 122 308 11 LYS N N 117.577 0.000 1 123 309 12 VAL H H 7.620 0.001 1 124 309 12 VAL HA H 3.698 0.002 1 125 309 12 VAL HB H 2.244 0.002 1 126 309 12 VAL HG1 H 0.992 0.003 2 127 309 12 VAL HG2 H 1.099 0.002 2 128 309 12 VAL CA C 69.162 0.000 1 129 309 12 VAL CB C 34.749 0.000 1 130 309 12 VAL CG1 C 23.615 0.000 1 131 309 12 VAL CG2 C 24.788 0.000 1 132 309 12 VAL N N 119.426 0.000 1 133 310 13 GLU H H 7.897 0.000 1 134 310 13 GLU HA H 4.290 0.006 1 135 310 13 GLU HB2 H 2.305 0.002 2 136 310 13 GLU HB3 H 2.257 0.003 2 137 310 13 GLU HG2 H 2.648 0.002 2 138 310 13 GLU HG3 H 2.568 0.002 2 139 310 13 GLU CA C 62.540 2.930 1 140 310 13 GLU CB C 31.174 0.000 1 141 310 13 GLU CG C 36.127 0.013 1 142 310 13 GLU N N 120.337 0.000 1 143 311 14 ILE H H 8.071 0.001 1 144 311 14 ILE HA H 4.235 0.001 1 145 311 14 ILE HB H 1.930 0.002 1 146 311 14 ILE HG12 H 1.673 0.004 2 147 311 14 ILE HG13 H 1.654 0.001 2 148 311 14 ILE HG2 H 0.975 0.007 1 149 311 14 ILE HD1 H 0.918 0.024 1 150 311 14 ILE CA C 59.992 0.000 1 151 311 14 ILE CB C 35.179 0.000 1 152 311 14 ILE CG1 C 28.498 0.006 1 153 311 14 ILE CG2 C 19.820 0.000 1 154 311 14 ILE CD1 C 15.241 0.000 1 155 311 14 ILE N N 120.833 0.000 1 156 312 15 LYS H H 8.227 0.000 1 157 312 15 LYS HA H 4.337 0.003 1 158 312 15 LYS HB2 H 1.890 0.004 2 159 312 15 LYS HB3 H 1.948 0.006 2 160 312 15 LYS HG2 H 1.547 0.002 2 161 312 15 LYS HG3 H 1.482 0.005 2 162 312 15 LYS HD2 H 1.762 0.005 2 163 312 15 LYS HD3 H 1.759 0.000 2 164 312 15 LYS HE2 H 3.046 0.002 1 165 312 15 LYS HE3 H 3.047 0.002 1 166 312 15 LYS CA C 59.758 0.000 1 167 312 15 LYS CB C 33.375 0.019 1 168 312 15 LYS CG C 27.779 0.037 1 169 312 15 LYS CD C 32.092 0.000 1 170 312 15 LYS CE C 45.181 0.000 1 171 312 15 LYS N N 122.113 0.000 1 172 313 16 GLU H H 7.985 0.001 1 173 313 16 GLU HA H 4.054 0.001 1 174 313 16 GLU HB2 H 2.289 0.000 2 175 313 16 GLU HB3 H 2.175 0.001 2 176 313 16 GLU HG2 H 2.542 0.001 2 177 313 16 GLU HG3 H 2.371 0.000 2 178 313 16 GLU CA C 62.277 0.000 1 179 313 16 GLU CB C 31.213 0.000 1 180 313 16 GLU CG C 36.127 0.026 1 181 313 16 GLU N N 120.155 0.000 1 182 314 17 LEU H H 7.755 0.001 1 183 314 17 LEU HA H 4.451 0.003 1 184 314 17 LEU HB2 H 1.695 0.002 1 185 314 17 LEU HB3 H 1.695 0.002 1 186 314 17 LEU HG H 1.687 0.006 1 187 314 17 LEU HD1 H 0.956 0.001 2 188 314 17 LEU HD2 H 0.926 0.003 2 189 314 17 LEU CA C 57.620 0.000 1 190 314 17 LEU CB C 45.776 0.000 1 191 314 17 LEU CG C 30.140 0.000 1 192 314 17 LEU CD1 C 25.717 0.000 1 193 314 17 LEU CD2 C 25.510 0.000 1 194 314 17 LEU N N 124.697 0.000 1 195 315 18 GLY H H 8.174 0.001 1 196 315 18 GLY HA2 H 3.955 0.003 2 197 315 18 GLY HA3 H 3.918 0.001 2 198 315 18 GLY CA C 49.700 0.018 1 199 315 18 GLY N N 106.124 0.000 1 200 316 19 GLU H H 8.479 0.004 1 201 316 19 GLU HA H 4.109 0.002 1 202 316 19 GLU HB2 H 2.333 0.001 2 203 316 19 GLU HB3 H 2.164 0.006 2 204 316 19 GLU HG2 H 2.669 0.002 2 205 316 19 GLU HG3 H 2.470 0.002 2 206 316 19 GLU CA C 62.040 0.000 1 207 316 19 GLU N N 119.475 0.000 1 208 317 20 LEU H H 8.198 0.001 1 209 317 20 LEU HA H 3.804 0.001 1 210 317 20 LEU HB2 H 1.988 0.000 1 211 317 20 LEU HB3 H 1.988 0.000 1 212 317 20 LEU HD1 H 0.980 0.003 1 213 317 20 LEU CA C 67.880 0.000 1 214 317 20 LEU CB C 40.866 0.000 1 215 317 20 LEU CD1 C 27.450 0.000 1 216 317 20 LEU N N 119.181 0.000 1 217 318 21 ARG H H 7.293 0.002 1 218 318 21 ARG HA H 4.359 0.006 1 219 318 21 ARG HB2 H 1.977 0.000 2 220 318 21 ARG HB3 H 1.856 0.000 2 221 318 21 ARG HG2 H 1.741 0.003 2 222 318 21 ARG HG3 H 1.695 0.011 2 223 318 21 ARG HD2 H 3.252 0.003 2 224 318 21 ARG HD3 H 3.230 0.003 2 225 318 21 ARG CA C 59.803 0.000 1 226 318 21 ARG CG C 31.181 1.004 1 227 318 21 ARG CD C 46.189 0.000 1 228 319 22 LYS H H 7.734 0.001 1 229 319 22 LYS HA H 4.319 0.011 1 230 319 22 LYS HB2 H 1.946 0.006 2 231 319 22 LYS HB3 H 1.913 0.011 2 232 319 22 LYS HG2 H 1.531 0.022 2 233 319 22 LYS HG3 H 1.489 0.003 2 234 319 22 LYS HD2 H 1.737 0.018 2 235 319 22 LYS HD3 H 1.696 0.008 2 236 319 22 LYS HE2 H 3.071 0.008 2 237 319 22 LYS HE3 H 3.051 0.007 2 238 319 22 LYS CA C 59.591 0.000 1 239 319 22 LYS CB C 33.360 0.022 1 240 319 22 LYS CD C 30.142 0.078 1 241 319 22 LYS CE C 45.274 0.000 1 242 319 22 LYS N N 119.759 0.000 1 243 320 23 GLU H H 7.913 0.003 1 244 320 23 GLU HA H 4.729 0.002 1 245 320 23 GLU HB2 H 2.205 0.003 2 246 320 23 GLU HB3 H 2.037 0.004 2 247 320 23 GLU HG2 H 2.586 0.003 2 248 320 23 GLU HG3 H 2.552 0.002 2 249 320 23 GLU CA C 56.852 0.000 1 250 320 23 GLU CB C 31.330 0.000 1 251 320 23 GLU CG C 36.125 0.002 1 252 320 23 GLU N N 120.700 0.000 1 253 321 24 PRO HA H 4.881 0.002 1 254 321 24 PRO HB2 H 2.199 0.002 2 255 321 24 PRO HB3 H 2.396 0.002 2 256 321 24 PRO HG2 H 1.975 0.001 1 257 321 24 PRO HG3 H 1.976 0.000 1 258 321 24 PRO HD2 H 3.663 0.001 2 259 321 24 PRO HD3 H 3.530 0.001 2 260 321 24 PRO CA C 65.677 0.000 1 261 321 24 PRO CB C 37.046 0.016 1 262 321 24 PRO CG C 27.309 0.000 1 263 321 24 PRO CD C 52.809 0.005 1 264 322 25 SER H H 7.945 0.001 1 265 322 25 SER HA H 4.535 0.002 1 266 322 25 SER HB2 H 3.931 0.007 2 267 322 25 SER HB3 H 3.908 0.005 2 268 322 25 SER CA C 60.882 0.000 1 269 322 25 SER CB C 65.094 0.000 1 270 322 25 SER N N 115.108 0.000 1 271 323 26 LEU H H 8.504 0.001 1 272 323 26 LEU HA H 4.175 0.001 1 273 323 26 LEU HB2 H 1.936 0.001 2 274 323 26 LEU HB3 H 1.880 0.024 2 275 323 26 LEU HG H 1.628 0.001 1 276 323 26 LEU HD1 H 0.940 0.006 1 277 323 26 LEU CA C 60.988 0.000 1 278 323 26 LEU CD1 C 27.170 0.000 1 279 323 26 LEU N N 120.913 0.000 1 stop_ save_