data_6072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human p53 binding domain of PIAS-1 ; _BMRB_accession_number 6072 _BMRB_flat_file_name bmr6072.str _Entry_type original _Submission_date 2004-01-12 _Accession_date 2004-01-14 _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 Okubo S. . . 2 Hara F. . . 3 Tsuchida Y. . . 4 Shimotakahara S. . . 5 Suzuki S. . . 6 Hatanaka H. . . 7 Yokoyama S. . . 8 Tanaka H. . . 9 Yasuda H. . . 10 Shindo H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 364 "13C chemical shifts" 295 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-08-05 original author . stop_ _Original_release_date 2004-08-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the N-terminal domain of SUMO ligase PIAS1 and its interaction with tumor suppressor p53 and A/T-rich DNA ologomers. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15133049 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okubo S. . . 2 Hara F. . . 3 Tsuchida Y. . . 4 Shimotakahara S. . . 5 Suzuki S. . . 6 Hatanaka H. . . 7 Yokoyama S. . . 8 Tanaka H. . . 9 Yasuda H. . . 10 Shindo H. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31455 _Page_last 31461 _Year 2004 _Details . loop_ _Keyword 'four helix bundle' stop_ save_ ################################## # Molecular system description # ################################## save_PIAS-1 _Saveframe_category molecular_system _Mol_system_name 'Protein inhibitor of activated STAT protein 1' _Abbreviation_common PIAS-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein inhibitor of activated STAT protein 1' $PIAS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PIAS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PIAS-1 _Abbreviation_common PIAS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; MADSAELKQMVMSLRVSELQ VLLGYAGRNKHGRKHELLTK ALHLLKAGCSPAVQMKIKEL YRRRF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 SER 5 ALA 6 GLU 7 LEU 8 LYS 9 GLN 10 MET 11 VAL 12 MET 13 SER 14 LEU 15 ARG 16 VAL 17 SER 18 GLU 19 LEU 20 GLN 21 VAL 22 LEU 23 LEU 24 GLY 25 TYR 26 ALA 27 GLY 28 ARG 29 ASN 30 LYS 31 HIS 32 GLY 33 ARG 34 LYS 35 HIS 36 GLU 37 LEU 38 LEU 39 THR 40 LYS 41 ALA 42 LEU 43 HIS 44 LEU 45 LEU 46 LYS 47 ALA 48 GLY 49 CYS 50 SER 51 PRO 52 ALA 53 VAL 54 GLN 55 MET 56 LYS 57 ILE 58 LYS 59 GLU 60 LEU 61 TYR 62 ARG 63 ARG 64 ARG 65 PHE 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 PDB 1V66 "Solution Structure Of Human P53 Binding Domain Of Pias-1" 100.00 65 100.00 100.00 7.66e-38 DBJ BAC35902 "unnamed protein product [Mus musculus]" 100.00 651 100.00 100.00 9.31e-36 DBJ BAE00325 "unnamed protein product [Macaca fascicularis]" 100.00 651 100.00 100.00 9.31e-36 DBJ BAE32224 "unnamed protein product [Mus musculus]" 100.00 577 100.00 100.00 5.89e-36 DBJ BAG37114 "unnamed protein product [Homo sapiens]" 100.00 651 100.00 100.00 9.31e-36 DBJ BAG52901 "unnamed protein product [Homo sapiens]" 90.77 653 98.31 100.00 4.16e-31 EMBL CAF98368 "unnamed protein product, partial [Tetraodon nigroviridis]" 90.77 614 98.31 100.00 3.94e-31 GB AAB58488 "Gu binding protein [Homo sapiens]" 90.77 645 100.00 100.00 1.39e-31 GB AAC36701 "protein inhibitor of activated STAT protein PIAS1 [Mus musculus]" 100.00 651 100.00 100.00 9.40e-36 GB AAC36702 "protein inhibitor of activated STAT protein PIAS1 [Homo sapiens]" 100.00 650 100.00 100.00 1.13e-35 GB AAD49722 "protein inhibitor of activated STAT-1 [Homo sapiens]" 100.00 651 100.00 100.00 9.31e-36 GB AAH51417 "Protein inhibitor of activated STAT 1 [Mus musculus]" 100.00 651 100.00 100.00 9.31e-36 PIR JC5517 "Gu/RNA helicase II binding protein - human" 90.77 645 100.00 100.00 1.39e-31 REF NP_001026627 "E3 SUMO-protein ligase PIAS1 [Gallus gallus]" 100.00 564 100.00 100.00 9.10e-36 REF NP_001068864 "E3 SUMO-protein ligase PIAS1 [Bos taurus]" 100.00 651 100.00 100.00 1.15e-35 REF NP_001079161 "protein inhibitor of activated STAT, 1 [Xenopus laevis]" 100.00 649 98.46 98.46 3.63e-35 REF NP_001100299 "E3 SUMO-protein ligase PIAS1 [Rattus norvegicus]" 100.00 651 100.00 100.00 9.40e-36 REF NP_001253230 "E3 SUMO-protein ligase PIAS1 [Macaca mulatta]" 100.00 651 100.00 100.00 9.31e-36 SP O75925 "RecName: Full=E3 SUMO-protein ligase PIAS1; AltName: Full=DEAD/H box-binding protein 1; AltName: Full=Gu-binding protein; Short" 100.00 651 100.00 100.00 9.31e-36 SP O88907 "RecName: Full=E3 SUMO-protein ligase PIAS1; AltName: Full=DEAD/H box-binding protein 1; AltName: Full=Protein inhibitor of acti" 100.00 651 100.00 100.00 9.31e-36 TPG DAA25728 "TPA: protein inhibitor of activated STAT, 1 [Bos taurus]" 100.00 651 100.00 100.00 1.15e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PIAS 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 $PIAS 'recombinant technology' . . . . . 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 $PIAS . mM . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Task refinement stop_ _Details 'Guentert, P.' 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_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 298 1 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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 'Protein inhibitor of activated STAT protein 1' _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 MET H H 8.429 0.000 1 2 . 1 MET N N 122.400 0.000 1 3 . 1 MET CA C 55.720 0.000 1 4 . 1 MET HA H 4.434 0.000 1 5 . 1 MET C C 175.096 0.000 1 6 . 1 MET CB C 32.800 0.000 1 7 . 1 MET HB2 H 2.072 0.000 1 8 . 1 MET HB3 H 1.996 0.000 1 9 . 1 MET CG C 32.400 0.000 1 10 . 1 MET HG2 H 2.576 0.000 1 11 . 1 MET HG3 H 2.514 0.000 1 12 . 2 ALA H H 8.423 0.000 1 13 . 2 ALA N N 125.560 0.000 1 14 . 2 ALA CA C 53.070 0.000 1 15 . 2 ALA HA H 4.300 0.000 1 16 . 2 ALA C C 176.078 0.000 1 17 . 2 ALA CB C 19.140 0.000 1 18 . 2 ALA HB H 1.400 0.000 1 19 . 3 ASP H H 8.406 0.000 1 20 . 3 ASP N N 119.900 0.000 1 21 . 3 ASP CA C 54.625 0.000 1 22 . 3 ASP HA H 4.620 0.000 1 23 . 3 ASP C C 177.661 0.000 1 24 . 3 ASP CB C 41.100 0.000 1 25 . 3 ASP HB2 H 2.765 0.000 1 26 . 4 SER H H 8.284 0.000 1 27 . 4 SER N N 115.870 0.000 1 28 . 4 SER CA C 60.520 0.000 1 29 . 4 SER HA H 4.220 0.000 1 30 . 4 SER C C 176.966 0.000 1 31 . 4 SER CB C 63.190 0.000 1 32 . 4 SER HB2 H 3.972 0.000 1 33 . 4 SER HB3 H 3.932 0.000 1 34 . 5 ALA H H 8.220 0.000 1 35 . 5 ALA N N 125.575 0.000 1 36 . 5 ALA CA C 54.830 0.000 1 37 . 5 ALA HA H 4.158 0.000 1 38 . 5 ALA C C 175.746 0.000 1 39 . 5 ALA CB C 18.580 0.000 1 40 . 5 ALA HB H 1.454 0.000 1 41 . 6 GLU H H 8.209 0.000 1 42 . 6 GLU N N 120.050 0.000 1 43 . 6 GLU CA C 58.810 0.000 1 44 . 6 GLU HA H 4.066 0.000 1 45 . 6 GLU C C 179.748 0.000 1 46 . 6 GLU CB C 29.760 0.000 1 47 . 6 GLU HB2 H 2.058 0.000 1 48 . 6 GLU CG C 36.420 0.000 1 49 . 6 GLU HG2 H 2.294 0.000 1 50 . 6 GLU HG3 H 2.183 0.000 1 51 . 7 LEU H H 8.060 0.000 1 52 . 7 LEU N N 119.250 0.000 1 53 . 7 LEU CA C 57.940 0.000 1 54 . 7 LEU HA H 3.982 0.000 1 55 . 7 LEU C C 178.577 0.000 1 56 . 7 LEU CB C 42.100 0.000 1 57 . 7 LEU HB2 H 1.890 0.000 1 58 . 7 LEU HB3 H 1.402 0.000 1 59 . 7 LEU CG C 27.080 0.000 1 60 . 7 LEU CD1 C 23.570 0.000 1 61 . 7 LEU HD1 H 0.875 0.000 1 62 . 7 LEU CD2 C 26.198 0.000 1 63 . 7 LEU HD2 H 0.890 0.000 1 64 . 7 LEU HG H 1.798 0.000 1 65 . 8 LYS H H 8.041 0.000 1 66 . 8 LYS N N 118.710 0.000 1 67 . 8 LYS CA C 60.460 0.000 1 68 . 8 LYS HA H 3.614 0.000 1 69 . 8 LYS C C 178.770 0.000 1 70 . 8 LYS CB C 32.000 0.000 1 71 . 8 LYS HB2 H 1.845 0.000 1 72 . 8 LYS CG C 25.460 0.000 1 73 . 8 LYS HG2 H 1.362 0.000 1 74 . 8 LYS HG3 H 1.298 0.000 1 75 . 8 LYS CD C 29.730 0.000 1 76 . 8 LYS HD2 H 1.686 0.000 1 77 . 8 LYS CE C 42.070 0.000 1 78 . 8 LYS HE2 H 2.943 0.000 1 79 . 9 GLN H H 7.565 0.000 1 80 . 9 GLN N N 117.340 0.000 1 81 . 9 GLN CA C 58.800 0.000 1 82 . 9 GLN HA H 3.920 0.000 1 83 . 9 GLN C C 177.708 0.000 1 84 . 9 GLN CB C 27.940 0.000 1 85 . 9 GLN HB2 H 2.110 0.000 1 86 . 9 GLN CG C 33.680 0.000 1 87 . 9 GLN HG2 H 2.426 0.000 1 88 . 9 GLN HG3 H 2.360 0.000 1 89 . 9 GLN NE2 N 111.200 0.000 1 90 . 9 GLN HE21 H 7.368 0.000 1 91 . 9 GLN HE22 H 6.766 0.000 1 92 . 10 MET H H 7.804 0.000 1 93 . 10 MET N N 118.320 0.000 1 94 . 10 MET CA C 60.110 0.000 1 95 . 10 MET HA H 3.630 0.000 1 96 . 10 MET C C 179.080 0.000 1 97 . 10 MET CB C 32.870 0.000 1 98 . 10 MET HB2 H 2.049 0.000 1 99 . 10 MET HB3 H 1.254 0.000 1 100 . 10 MET CG C 32.360 0.000 1 101 . 10 MET HG2 H 2.365 0.000 1 102 . 10 MET HG3 H 0.516 0.000 1 103 . 10 MET CE C 18.200 0.000 1 104 . 10 MET HE H 1.830 0.000 1 105 . 11 VAL H H 8.147 0.000 1 106 . 11 VAL N N 119.050 0.000 1 107 . 11 VAL CA C 67.170 0.000 1 108 . 11 VAL HA H 3.428 0.000 1 109 . 11 VAL C C 174.989 0.000 1 110 . 11 VAL CB C 31.420 0.000 1 111 . 11 VAL HB H 2.108 0.000 1 112 . 11 VAL CG1 C 24.880 0.000 1 113 . 11 VAL HG1 H 0.996 0.000 1 114 . 11 VAL CG2 C 22.700 0.000 1 115 . 11 VAL HG2 H 0.766 0.000 1 116 . 12 MET H H 8.077 0.000 1 117 . 12 MET N N 114.660 0.000 1 118 . 12 MET CA C 57.430 0.000 1 119 . 12 MET HA H 4.213 0.000 1 120 . 12 MET C C 177.844 0.000 1 121 . 12 MET CB C 31.960 0.000 1 122 . 12 MET HB2 H 2.280 0.000 1 123 . 12 MET HB3 H 2.150 0.000 1 124 . 12 MET CG C 32.780 0.000 1 125 . 12 MET HG2 H 2.834 0.000 1 126 . 12 MET HG3 H 2.629 0.000 1 127 . 13 SER H H 7.587 0.000 1 128 . 13 SER N N 113.600 0.000 1 129 . 13 SER CA C 59.299 0.000 1 130 . 13 SER HA H 4.681 0.000 1 131 . 13 SER C C 176.913 0.000 1 132 . 13 SER CB C 64.880 0.000 1 133 . 13 SER HB2 H 4.243 0.000 1 134 . 13 SER HB3 H 4.198 0.000 1 135 . 14 LEU H H 7.446 0.000 1 136 . 14 LEU N N 121.270 0.000 1 137 . 14 LEU CA C 55.270 0.000 1 138 . 14 LEU HA H 4.392 0.000 1 139 . 14 LEU C C 174.422 0.000 1 140 . 14 LEU CB C 41.230 0.000 1 141 . 14 LEU HB2 H 1.983 0.000 1 142 . 14 LEU HB3 H 1.612 0.000 1 143 . 14 LEU CG C 25.760 0.000 1 144 . 14 LEU CD1 C 21.320 0.000 1 145 . 14 LEU HD1 H 0.800 0.000 1 146 . 14 LEU CD2 C 25.755 0.000 1 147 . 14 LEU HD2 H 0.845 0.000 1 148 . 14 LEU HG H 2.550 0.000 1 149 . 15 ARG H H 8.990 0.000 1 150 . 15 ARG N N 120.140 0.000 1 151 . 15 ARG CA C 55.689 0.000 1 152 . 15 ARG HA H 4.566 0.000 1 153 . 15 ARG C C 177.268 0.000 1 154 . 15 ARG CB C 31.500 0.000 1 155 . 15 ARG HB2 H 2.288 0.000 1 156 . 15 ARG HB3 H 1.812 0.000 1 157 . 15 ARG CG C 27.985 0.000 1 158 . 15 ARG HG2 H 1.881 0.000 1 159 . 15 ARG CD C 43.380 0.000 1 160 . 15 ARG HD2 H 3.302 0.000 1 161 . 15 ARG HD3 H 3.230 0.000 1 162 . 16 VAL H H 8.888 0.000 1 163 . 16 VAL N N 121.710 0.000 1 164 . 16 VAL CA C 68.270 0.000 1 165 . 16 VAL HA H 3.560 0.000 1 166 . 16 VAL C C 177.942 0.000 1 167 . 16 VAL CB C 31.620 0.000 1 168 . 16 VAL HB H 2.162 0.000 1 169 . 16 VAL CG1 C 23.630 0.000 1 170 . 16 VAL HG1 H 1.152 0.000 1 171 . 16 VAL CG2 C 20.550 0.000 1 172 . 16 VAL HG2 H 0.942 0.000 1 173 . 17 SER H H 8.466 0.000 1 174 . 17 SER N N 112.590 0.000 1 175 . 17 SER CA C 61.050 0.000 1 176 . 17 SER HA H 4.287 0.000 1 177 . 17 SER C C 177.190 0.000 1 178 . 17 SER CB C 61.860 0.000 1 179 . 17 SER HB2 H 3.932 0.000 1 180 . 18 GLU H H 6.853 0.000 1 181 . 18 GLU N N 121.060 0.000 1 182 . 18 GLU CA C 59.280 0.000 1 183 . 18 GLU HA H 4.130 0.000 1 184 . 18 GLU C C 177.269 0.000 1 185 . 18 GLU CB C 30.930 0.000 1 186 . 18 GLU HB2 H 2.622 0.000 1 187 . 18 GLU HB3 H 1.980 0.000 1 188 . 18 GLU CG C 37.280 0.000 1 189 . 18 GLU HG2 H 2.470 0.000 1 190 . 18 GLU HG3 H 2.275 0.000 1 191 . 19 LEU H H 8.571 0.000 1 192 . 19 LEU N N 120.630 0.000 1 193 . 19 LEU CA C 58.330 0.000 1 194 . 19 LEU HA H 3.910 0.000 1 195 . 19 LEU C C 178.262 0.000 1 196 . 19 LEU CB C 42.950 0.000 1 197 . 19 LEU HB2 H 2.133 0.000 1 198 . 19 LEU HB3 H 1.180 0.000 1 199 . 19 LEU CG C 26.840 0.000 1 200 . 19 LEU CD1 C 23.662 0.000 1 201 . 19 LEU HD1 H 0.816 0.000 1 202 . 19 LEU CD2 C 25.800 0.000 1 203 . 19 LEU HD2 H 0.802 0.000 1 204 . 19 LEU HG H 1.660 0.000 1 205 . 20 GLN H H 8.317 0.000 1 206 . 20 GLN N N 116.200 0.000 1 207 . 20 GLN CA C 60.140 0.000 1 208 . 20 GLN HA H 3.875 0.000 1 209 . 20 GLN C C 179.065 0.000 1 210 . 20 GLN CB C 28.450 0.000 1 211 . 20 GLN HB2 H 2.460 0.000 1 212 . 20 GLN HB3 H 1.910 0.000 1 213 . 20 GLN CG C 35.030 0.000 1 214 . 20 GLN HG2 H 2.694 0.000 1 215 . 20 GLN HG3 H 2.445 0.000 1 216 . 20 GLN NE2 N 111.140 0.000 1 217 . 20 GLN HE21 H 7.574 0.000 1 218 . 20 GLN HE22 H 6.807 0.000 1 219 . 21 VAL H H 7.470 0.000 1 220 . 21 VAL N N 119.420 0.000 1 221 . 21 VAL CA C 66.305 0.000 1 222 . 21 VAL HA H 3.707 0.000 1 223 . 21 VAL C C 178.677 0.000 1 224 . 21 VAL CB C 31.510 0.000 1 225 . 21 VAL HB H 2.257 0.000 1 226 . 21 VAL CG1 C 22.670 0.000 1 227 . 21 VAL HG1 H 1.190 0.000 1 228 . 21 VAL CG2 C 21.870 0.000 1 229 . 21 VAL HG2 H 0.981 0.000 1 230 . 22 LEU H H 8.302 0.000 1 231 . 22 LEU N N 121.260 0.000 1 232 . 22 LEU CA C 58.330 0.000 1 233 . 22 LEU HA H 3.840 0.000 1 234 . 22 LEU C C 179.020 0.000 1 235 . 22 LEU CB C 41.970 0.000 1 236 . 22 LEU HB2 H 2.067 0.000 1 237 . 22 LEU HB3 H 1.405 0.000 1 238 . 22 LEU CG C 27.485 0.000 1 239 . 22 LEU CD1 C 23.590 0.000 1 240 . 22 LEU HD1 H 0.879 0.000 1 241 . 22 LEU CD2 C 26.200 0.000 1 242 . 22 LEU HD2 H 0.812 0.000 1 243 . 22 LEU HG H 1.438 0.000 1 244 . 23 LEU H H 8.308 0.000 1 245 . 23 LEU N N 116.520 0.000 1 246 . 23 LEU CA C 57.500 0.000 1 247 . 23 LEU HA H 3.890 0.000 1 248 . 23 LEU C C 177.325 0.000 1 249 . 23 LEU CB C 41.180 0.000 1 250 . 23 LEU HB2 H 1.692 0.000 1 251 . 23 LEU HB3 H 1.216 0.000 1 252 . 23 LEU CG C 27.940 0.000 1 253 . 23 LEU CD1 C 27.110 0.000 1 254 . 23 LEU HD1 H 1.020 0.000 1 255 . 23 LEU CD2 C 22.250 0.000 1 256 . 23 LEU HD2 H 0.724 0.000 1 257 . 23 LEU HG H 1.776 0.000 1 258 . 24 GLY H H 8.298 0.000 1 259 . 24 GLY N N 106.100 0.000 1 260 . 24 GLY CA C 46.839 0.000 1 261 . 24 GLY C C 178.896 0.000 1 262 . 24 GLY HA2 H 3.968 0.000 1 263 . 25 TYR H H 8.513 0.000 1 264 . 25 TYR N N 124.100 0.000 1 265 . 25 TYR CA C 60.500 0.000 1 266 . 25 TYR HA H 4.296 0.000 1 267 . 25 TYR C C 176.983 0.000 1 268 . 25 TYR CB C 38.600 0.000 1 269 . 25 TYR HB2 H 3.190 0.000 1 270 . 25 TYR CD1 C 19.589 0.000 1 271 . 25 TYR HD1 H 7.018 0.000 2 272 . 25 TYR CD2 C 19.589 0.000 1 273 . 25 TYR CE1 C 62.300 0.000 1 274 . 25 TYR HE1 H 6.725 0.000 2 275 . 25 TYR CE2 C 62.300 0.000 1 276 . 26 ALA H H 8.044 0.000 1 277 . 26 ALA N N 119.410 0.000 1 278 . 26 ALA CA C 51.750 0.000 1 279 . 26 ALA HA H 4.225 0.000 1 280 . 26 ALA C C 176.612 0.000 1 281 . 26 ALA CB C 20.050 0.000 1 282 . 26 ALA HB H 1.518 0.000 1 283 . 27 GLY H H 7.875 0.000 1 284 . 27 GLY N N 107.880 0.000 1 285 . 27 GLY CA C 46.030 0.000 1 286 . 27 GLY HA2 H 3.882 0.000 1 287 . 27 GLY C C 177.028 0.000 1 288 . 27 GLY HA3 H 4.042 0.000 1 289 . 28 ARG H H 8.371 0.000 1 290 . 28 ARG N N 119.000 0.000 1 291 . 28 ARG CA C 53.699 0.000 1 292 . 28 ARG HA H 4.592 0.000 1 293 . 28 ARG C C 174.765 0.000 1 294 . 28 ARG CB C 31.930 0.000 1 295 . 28 ARG HB2 H 2.028 0.000 1 296 . 28 ARG HB3 H 1.668 0.000 1 297 . 28 ARG CG C 27.120 0.000 1 298 . 28 ARG HG2 H 1.685 0.000 1 299 . 28 ARG HG3 H 1.578 0.000 1 300 . 28 ARG CD C 42.530 0.000 1 301 . 28 ARG HD2 H 3.185 0.000 1 302 . 29 ASN H H 8.396 0.000 1 303 . 29 ASN N N 119.560 0.000 1 304 . 29 ASN CA C 54.477 0.000 1 305 . 29 ASN HA H 4.515 0.000 1 306 . 29 ASN C C 175.179 0.000 1 307 . 29 ASN CB C 38.980 0.000 1 308 . 29 ASN HB2 H 2.815 0.000 1 309 . 29 ASN HB3 H 2.763 0.000 1 310 . 29 ASN ND2 N 113.830 0.000 1 311 . 29 ASN HD21 H 7.680 0.000 1 312 . 29 ASN HD22 H 7.012 0.000 1 313 . 30 LYS H H 8.286 0.000 1 314 . 30 LYS N N 123.280 0.000 1 315 . 30 LYS CA C 55.680 0.000 1 316 . 30 LYS HA H 4.308 0.000 1 317 . 30 LYS C C 176.233 0.000 1 318 . 30 LYS CB C 33.260 0.000 1 319 . 30 LYS HB2 H 1.887 0.000 1 320 . 30 LYS HB3 H 1.590 0.000 1 321 . 30 LYS CG C 23.550 0.000 1 322 . 30 LYS HG2 H 1.360 0.000 1 323 . 30 LYS HG3 H 1.144 0.000 1 324 . 30 LYS CD C 30.100 0.000 1 325 . 30 LYS HD2 H 1.572 0.000 1 326 . 30 LYS CE C 42.070 0.000 1 327 . 30 LYS HE2 H 2.925 0.000 1 328 . 31 HIS H H 8.166 0.000 1 329 . 31 HIS N N 118.905 0.000 1 330 . 31 HIS CA C 56.521 0.000 1 331 . 31 HIS HA H 4.642 0.000 1 332 . 31 HIS C C 179.028 0.000 1 333 . 31 HIS CB C 30.254 0.000 1 334 . 31 HIS HB2 H 3.176 0.000 1 335 . 31 HIS HB3 H 3.161 0.000 1 336 . 31 HIS CD2 C 63.649 0.000 1 337 . 31 HIS HD2 H 7.154 0.000 1 338 . 32 GLY H H 8.260 0.000 1 339 . 32 GLY N N 110.410 0.000 1 340 . 32 GLY CA C 44.330 0.000 1 341 . 32 GLY HA2 H 3.810 0.000 1 342 . 32 GLY C C 175.251 0.000 1 343 . 32 GLY HA3 H 4.252 0.000 1 344 . 33 ARG H H 8.487 0.000 1 345 . 33 ARG N N 118.150 0.000 1 346 . 33 ARG CA C 55.660 0.000 1 347 . 33 ARG HA H 4.454 0.000 1 348 . 33 ARG C C 173.606 0.000 1 349 . 33 ARG CB C 31.140 0.000 1 350 . 33 ARG HB2 H 2.205 0.000 1 351 . 33 ARG HB3 H 1.778 0.000 1 352 . 33 ARG CG C 27.960 0.000 1 353 . 33 ARG HG2 H 1.835 0.000 1 354 . 33 ARG CD C 43.390 0.000 1 355 . 33 ARG HD2 H 3.329 0.000 1 356 . 34 LYS H H 8.966 0.000 1 357 . 34 LYS N N 121.760 0.000 1 358 . 34 LYS CA C 61.940 0.000 1 359 . 34 LYS HA H 3.699 0.000 1 360 . 34 LYS C C 177.414 0.000 1 361 . 34 LYS CB C 31.980 0.000 1 362 . 34 LYS HB2 H 1.987 0.000 1 363 . 34 LYS HB3 H 1.945 0.000 1 364 . 34 LYS CG C 25.380 0.000 1 365 . 34 LYS HG2 H 1.453 0.000 1 366 . 34 LYS HG3 H 1.208 0.000 1 367 . 34 LYS CD C 29.300 0.000 1 368 . 34 LYS HD2 H 1.802 0.000 1 369 . 34 LYS HD3 H 1.756 0.000 1 370 . 34 LYS CE C 42.500 0.000 1 371 . 34 LYS HE2 H 3.033 0.000 1 372 . 34 LYS HE3 H 2.983 0.000 1 373 . 35 HIS H H 8.790 0.000 1 374 . 35 HIS N N 114.520 0.000 1 375 . 35 HIS CA C 60.042 0.000 1 376 . 35 HIS HA H 4.322 0.000 1 377 . 35 HIS C C 177.334 0.000 1 378 . 35 HIS CB C 29.300 0.000 1 379 . 35 HIS HB2 H 3.295 0.000 1 380 . 35 HIS HB3 H 3.153 0.000 1 381 . 35 HIS CD2 C 63.230 0.000 1 382 . 35 HIS HD2 H 7.192 0.000 1 383 . 36 GLU H H 7.229 0.000 1 384 . 36 GLU N N 120.820 0.000 1 385 . 36 GLU CA C 58.820 0.000 1 386 . 36 GLU HA H 4.066 0.000 1 387 . 36 GLU C C 177.789 0.000 1 388 . 36 GLU CB C 29.790 0.000 1 389 . 36 GLU HB2 H 2.242 0.000 1 390 . 36 GLU HB3 H 2.056 0.000 1 391 . 36 GLU CG C 36.800 0.000 1 392 . 36 GLU HG2 H 2.249 0.000 1 393 . 36 GLU HG3 H 2.045 0.000 1 394 . 37 LEU H H 8.145 0.000 1 395 . 37 LEU N N 119.340 0.000 1 396 . 37 LEU CA C 57.600 0.000 1 397 . 37 LEU HA H 3.850 0.000 1 398 . 37 LEU C C 178.930 0.000 1 399 . 37 LEU CB C 42.700 0.000 1 400 . 37 LEU HB2 H 1.925 0.000 1 401 . 37 LEU HB3 H 1.213 0.000 1 402 . 37 LEU CG C 26.580 0.000 1 403 . 37 LEU CD1 C 27.620 0.000 1 404 . 37 LEU HD1 H 0.828 0.000 1 405 . 37 LEU CD2 C 22.680 0.000 1 406 . 37 LEU HD2 H 0.540 0.000 1 407 . 37 LEU HG H 1.570 0.000 1 408 . 38 LEU H H 8.769 0.000 1 409 . 38 LEU N N 119.680 0.000 1 410 . 38 LEU CA C 57.900 0.000 1 411 . 38 LEU HA H 3.988 0.000 1 412 . 38 LEU C C 178.773 0.000 1 413 . 38 LEU CB C 41.630 0.000 1 414 . 38 LEU HB2 H 1.770 0.000 1 415 . 38 LEU HB3 H 1.573 0.000 1 416 . 38 LEU CG C 27.100 0.000 1 417 . 38 LEU CD1 C 24.410 0.000 1 418 . 38 LEU HD1 H 0.963 0.000 1 419 . 38 LEU CD2 C 25.781 0.000 1 420 . 38 LEU HD2 H 1.001 0.000 1 421 . 38 LEU HG H 1.599 0.000 1 422 . 39 THR H H 7.836 0.000 1 423 . 39 THR N N 114.970 0.000 1 424 . 39 THR CA C 67.200 0.000 1 425 . 39 THR HA H 3.772 0.000 1 426 . 39 THR C C 178.421 0.000 1 427 . 39 THR CB C 68.600 0.000 1 428 . 39 THR HB H 4.248 0.000 1 429 . 39 THR CG2 C 21.770 0.000 1 430 . 39 THR HG2 H 1.169 0.000 1 431 . 40 LYS H H 7.815 0.000 1 432 . 40 LYS N N 120.930 0.000 1 433 . 40 LYS CA C 60.160 0.000 1 434 . 40 LYS HA H 4.079 0.000 1 435 . 40 LYS C C 177.102 0.000 1 436 . 40 LYS CB C 33.220 0.000 1 437 . 40 LYS HB2 H 2.050 0.000 1 438 . 40 LYS HB3 H 1.801 0.000 1 439 . 40 LYS CG C 26.350 0.000 1 440 . 40 LYS HG2 H 1.754 0.000 1 441 . 40 LYS HG3 H 1.591 0.000 1 442 . 40 LYS CD C 30.050 0.000 1 443 . 40 LYS HD2 H 1.665 0.000 1 444 . 40 LYS CE C 42.450 0.000 1 445 . 40 LYS HE2 H 2.930 0.000 1 446 . 41 ALA H H 8.716 0.000 1 447 . 41 ALA N N 123.800 0.000 1 448 . 41 ALA CA C 55.260 0.000 1 449 . 41 ALA HA H 4.024 0.000 1 450 . 41 ALA C C 179.347 0.000 1 451 . 41 ALA CB C 19.140 0.000 1 452 . 41 ALA HB H 1.403 0.000 1 453 . 42 LEU H H 8.863 0.000 1 454 . 42 LEU N N 117.360 0.000 1 455 . 42 LEU CA C 57.860 0.000 1 456 . 42 LEU HA H 4.085 0.000 1 457 . 42 LEU C C 178.912 0.000 1 458 . 42 LEU CB C 40.790 0.000 1 459 . 42 LEU HB2 H 1.983 0.000 1 460 . 42 LEU HB3 H 1.462 0.000 1 461 . 42 LEU CG C 27.090 0.000 1 462 . 42 LEU CD1 C 22.780 0.000 1 463 . 42 LEU HD1 H 0.857 0.000 1 464 . 42 LEU CD2 C 25.780 0.000 1 465 . 42 LEU HD2 H 0.901 0.000 1 466 . 42 LEU HG H 1.870 0.000 1 467 . 43 HIS H H 8.126 0.000 1 468 . 43 HIS N N 120.100 0.000 1 469 . 43 HIS CA C 59.260 0.000 1 470 . 43 HIS HA H 4.354 0.000 1 471 . 43 HIS C C 180.925 0.000 1 472 . 43 HIS CB C 29.300 0.000 1 473 . 43 HIS HB2 H 3.344 0.000 1 474 . 43 HIS CD2 C 62.767 0.000 1 475 . 43 HIS HD2 H 7.168 0.000 1 476 . 44 LEU H H 7.745 0.000 1 477 . 44 LEU N N 120.490 0.000 1 478 . 44 LEU CA C 57.850 0.000 1 479 . 44 LEU HA H 4.085 0.000 1 480 . 44 LEU C C 177.602 0.000 1 481 . 44 LEU CB C 41.630 0.000 1 482 . 44 LEU HB2 H 1.910 0.000 1 483 . 44 LEU HB3 H 1.858 0.000 1 484 . 44 LEU CG C 26.640 0.000 1 485 . 44 LEU CD1 C 24.900 0.000 1 486 . 44 LEU HD1 H 0.875 0.000 1 487 . 44 LEU CD2 C 24.840 0.000 1 488 . 44 LEU HD2 H 0.909 0.000 1 489 . 44 LEU HG H 1.808 0.000 1 490 . 45 LEU H H 7.363 0.000 1 491 . 45 LEU N N 115.310 0.000 1 492 . 45 LEU CA C 56.700 0.000 1 493 . 45 LEU HA H 4.070 0.000 1 494 . 45 LEU C C 178.213 0.000 1 495 . 45 LEU CB C 41.620 0.000 1 496 . 45 LEU HB2 H 1.824 0.000 1 497 . 45 LEU HB3 H 1.642 0.000 1 498 . 45 LEU CG C 27.085 0.000 1 499 . 45 LEU CD1 C 25.300 0.000 1 500 . 45 LEU HD1 H 0.865 0.000 1 501 . 45 LEU CD2 C 23.680 0.000 1 502 . 45 LEU HD2 H 0.797 0.000 1 503 . 45 LEU HG H 1.860 0.000 1 504 . 46 LYS H H 7.593 0.000 1 505 . 46 LYS N N 119.330 0.000 1 506 . 46 LYS CA C 58.250 0.000 1 507 . 46 LYS HA H 4.072 0.000 1 508 . 46 LYS C C 179.098 0.000 1 509 . 46 LYS CB C 32.810 0.000 1 510 . 46 LYS HB2 H 1.870 0.000 1 511 . 46 LYS CG C 24.870 0.000 1 512 . 46 LYS HG2 H 1.508 0.000 1 513 . 46 LYS HG3 H 1.447 0.000 1 514 . 46 LYS CD C 29.290 0.000 1 515 . 46 LYS HD2 H 1.694 0.000 1 516 . 46 LYS CE C 42.100 0.000 1 517 . 46 LYS HE2 H 2.990 0.000 1 518 . 47 ALA H H 7.932 0.000 1 519 . 47 ALA N N 120.410 0.000 1 520 . 47 ALA CA C 53.070 0.000 1 521 . 47 ALA HA H 4.290 0.000 1 522 . 47 ALA C C 177.525 0.000 1 523 . 47 ALA CB C 19.120 0.000 1 524 . 47 ALA HB H 1.354 0.000 1 525 . 48 GLY H H 7.646 0.000 1 526 . 48 GLY N N 108.030 0.000 1 527 . 48 GLY CA C 45.130 0.000 1 528 . 48 GLY HA2 H 3.754 0.000 1 529 . 48 GLY C C 177.970 0.000 1 530 . 48 GLY HA3 H 4.278 0.000 1 531 . 49 CYS H H 8.508 0.000 1 532 . 49 CYS N N 121.800 0.000 1 533 . 49 CYS CA C 57.796 0.000 1 534 . 49 CYS HA H 4.710 0.000 1 535 . 49 CYS C C 173.219 0.000 1 536 . 49 CYS CB C 29.220 0.000 1 537 . 49 CYS HB2 H 2.934 0.000 1 538 . 50 SER H H 8.881 0.000 1 539 . 50 SER N N 122.380 0.000 1 540 . 50 SER CA C 57.154 0.000 1 541 . 50 SER HA H 4.771 0.000 1 542 . 50 SER C C 174.353 0.000 1 543 . 50 SER CB C 62.900 0.000 1 544 . 50 SER HB2 H 4.440 0.000 1 545 . 50 SER HB3 H 4.088 0.000 1 546 . 51 PRO CA C 65.910 0.000 1 547 . 51 PRO HA H 4.205 0.000 1 548 . 51 PRO CB C 31.900 0.000 1 549 . 51 PRO HB2 H 2.455 0.000 1 550 . 51 PRO HB3 H 2.020 0.000 1 551 . 51 PRO CG C 28.030 0.000 1 552 . 51 PRO HG2 H 2.270 0.000 1 553 . 51 PRO HG3 H 2.065 0.000 1 554 . 51 PRO CD C 50.460 0.000 1 555 . 51 PRO HD2 H 3.988 0.000 1 556 . 52 ALA H H 8.193 0.000 1 557 . 52 ALA N N 118.710 0.000 1 558 . 52 ALA CA C 55.300 0.000 1 559 . 52 ALA HA H 4.236 0.000 1 560 . 52 ALA C C 178.665 0.000 1 561 . 52 ALA CB C 18.290 0.000 1 562 . 52 ALA HB H 1.593 0.000 1 563 . 53 VAL H H 7.827 0.000 1 564 . 53 VAL N N 121.200 0.000 1 565 . 53 VAL CA C 67.040 0.000 1 566 . 53 VAL HA H 3.668 0.000 1 567 . 53 VAL C C 181.109 0.000 1 568 . 53 VAL CB C 31.500 0.000 1 569 . 53 VAL HB H 2.340 0.000 1 570 . 53 VAL CG1 C 24.060 0.000 1 571 . 53 VAL HG1 H 1.164 0.000 1 572 . 53 VAL CG2 C 22.300 0.000 1 573 . 53 VAL HG2 H 1.002 0.000 1 574 . 54 GLN H H 8.309 0.000 1 575 . 54 GLN N N 119.630 0.000 1 576 . 54 GLN CA C 60.130 0.000 1 577 . 54 GLN HA H 3.772 0.000 1 578 . 54 GLN C C 177.501 0.000 1 579 . 54 GLN CB C 28.070 0.000 1 580 . 54 GLN HB2 H 2.232 0.000 1 581 . 54 GLN HB3 H 2.145 0.000 1 582 . 54 GLN CG C 34.970 0.000 1 583 . 54 GLN HG2 H 2.576 0.000 1 584 . 54 GLN HG3 H 2.051 0.000 1 585 . 54 GLN NE2 N 111.540 0.000 1 586 . 54 GLN HE21 H 7.020 0.000 1 587 . 55 MET H H 8.234 0.000 1 588 . 55 MET N N 115.930 0.000 1 589 . 55 MET CA C 58.300 0.000 1 590 . 55 MET HA H 4.137 0.000 1 591 . 55 MET C C 178.236 0.000 1 592 . 55 MET CB C 32.300 0.000 1 593 . 55 MET HB2 H 2.174 0.000 1 594 . 55 MET CG C 32.390 0.000 1 595 . 55 MET HG2 H 2.743 0.000 1 596 . 55 MET HG3 H 2.682 0.000 1 597 . 56 LYS H H 7.811 0.000 1 598 . 56 LYS N N 121.930 0.000 1 599 . 56 LYS CA C 57.030 0.000 1 600 . 56 LYS HA H 4.085 0.000 1 601 . 56 LYS C C 178.510 0.000 1 602 . 56 LYS CB C 30.550 0.000 1 603 . 56 LYS HB2 H 1.984 0.000 1 604 . 56 LYS HB3 H 1.575 0.000 1 605 . 56 LYS CG C 23.480 0.000 1 606 . 56 LYS HG2 H 1.267 0.000 1 607 . 56 LYS HG3 H 0.999 0.000 1 608 . 56 LYS CD C 26.720 0.000 1 609 . 56 LYS HD2 H 1.404 0.000 1 610 . 56 LYS HD3 H 1.334 0.000 1 611 . 56 LYS CE C 40.700 0.000 1 612 . 56 LYS HE2 H 2.375 0.000 1 613 . 57 ILE H H 8.170 0.000 1 614 . 57 ILE N N 118.950 0.000 1 615 . 57 ILE CA C 67.170 0.000 1 616 . 57 ILE HA H 3.352 0.000 1 617 . 57 ILE C C 178.079 0.000 1 618 . 57 ILE CB C 38.050 0.000 1 619 . 57 ILE HB H 2.030 0.000 1 620 . 57 ILE CG2 C 18.700 0.000 1 621 . 57 ILE CG1 C 31.490 0.000 1 622 . 57 ILE HG12 H 0.698 0.000 1 623 . 57 ILE HG13 H 2.047 0.000 1 624 . 57 ILE CD1 C 15.120 0.000 1 625 . 57 ILE HD1 H 0.805 0.000 1 626 . 57 ILE HG2 H 0.854 0.000 1 627 . 58 LYS H H 7.408 0.000 1 628 . 58 LYS N N 116.970 0.000 1 629 . 58 LYS CA C 60.280 0.000 1 630 . 58 LYS HA H 4.145 0.000 1 631 . 58 LYS C C 176.918 0.000 1 632 . 58 LYS CB C 32.400 0.000 1 633 . 58 LYS HB2 H 1.892 0.000 1 634 . 58 LYS CG C 26.600 0.000 1 635 . 58 LYS HG2 H 1.277 0.000 1 636 . 58 LYS HG3 H 1.651 0.000 1 637 . 58 LYS CD C 29.970 0.000 1 638 . 58 LYS HD2 H 1.700 0.000 1 639 . 58 LYS CE C 42.200 0.000 1 640 . 58 LYS HE2 H 2.864 0.000 1 641 . 59 GLU H H 8.275 0.000 1 642 . 59 GLU N N 119.830 0.000 1 643 . 59 GLU CA C 59.260 0.000 1 644 . 59 GLU HA H 3.958 0.000 1 645 . 59 GLU C C 178.635 0.000 1 646 . 59 GLU CB C 30.160 0.000 1 647 . 59 GLU HB2 H 2.172 0.000 1 648 . 59 GLU CG C 35.920 0.000 1 649 . 59 GLU HG2 H 2.362 0.000 1 650 . 59 GLU HG3 H 2.056 0.000 1 651 . 60 LEU H H 8.415 0.000 1 652 . 60 LEU N N 118.940 0.000 1 653 . 60 LEU CA C 57.460 0.000 1 654 . 60 LEU HA H 3.982 0.000 1 655 . 60 LEU C C 179.323 0.000 1 656 . 60 LEU CB C 42.490 0.000 1 657 . 60 LEU HB2 H 2.026 0.000 1 658 . 60 LEU HB3 H 1.233 0.000 1 659 . 60 LEU CG C 26.720 0.000 1 660 . 60 LEU CD1 C 22.200 0.000 1 661 . 60 LEU HD1 H 0.882 0.000 1 662 . 60 LEU CD2 C 27.080 0.000 1 663 . 60 LEU HD2 H 0.845 0.000 1 664 . 60 LEU HG H 1.934 0.000 1 665 . 61 TYR H H 8.637 0.000 1 666 . 61 TYR N N 120.030 0.000 1 667 . 61 TYR CA C 61.470 0.000 1 668 . 61 TYR HA H 4.004 0.000 1 669 . 61 TYR C C 179.303 0.000 1 670 . 61 TYR CB C 39.870 0.000 1 671 . 61 TYR HB2 H 3.204 0.000 1 672 . 61 TYR HB3 H 3.017 0.000 1 673 . 61 TYR CD1 C 20.400 0.000 1 674 . 61 TYR HD1 H 7.084 0.000 2 675 . 61 TYR CD2 C 20.400 0.000 1 676 . 61 TYR CE1 C 61.900 0.000 1 677 . 61 TYR HE1 H 6.824 0.000 2 678 . 61 TYR CE2 C 61.900 0.000 1 679 . 62 ARG H H 8.100 0.000 1 680 . 62 ARG N N 116.210 0.000 1 681 . 62 ARG CA C 57.600 0.000 1 682 . 62 ARG HA H 4.107 0.000 1 683 . 62 ARG C C 177.199 0.000 1 684 . 62 ARG CB C 30.120 0.000 1 685 . 62 ARG HB2 H 2.030 0.000 1 686 . 62 ARG HB3 H 1.996 0.000 1 687 . 62 ARG CG C 28.000 0.000 1 688 . 62 ARG HG2 H 1.976 0.000 1 689 . 62 ARG HG3 H 1.833 0.000 1 690 . 62 ARG CD C 43.660 0.000 1 691 . 62 ARG HD2 H 3.242 0.000 1 692 . 63 ARG H H 7.469 0.000 1 693 . 63 ARG N N 118.160 0.000 1 694 . 63 ARG CA C 57.430 0.000 1 695 . 63 ARG HA H 4.214 0.000 1 696 . 63 ARG C C 177.173 0.000 1 697 . 63 ARG CB C 30.100 0.000 1 698 . 63 ARG HB2 H 1.902 0.000 1 699 . 63 ARG CG C 27.500 0.000 1 700 . 63 ARG HG2 H 1.903 0.000 1 701 . 63 ARG HG3 H 1.712 0.000 1 702 . 63 ARG CD C 43.820 0.000 1 703 . 63 ARG HD2 H 3.194 0.000 1 704 . 64 ARG H H 7.323 0.000 1 705 . 64 ARG N N 117.620 0.000 1 706 . 64 ARG CA C 56.280 0.000 1 707 . 64 ARG HA H 4.201 0.000 1 708 . 64 ARG C C 176.571 0.000 1 709 . 64 ARG CB C 30.580 0.000 1 710 . 64 ARG HB2 H 1.574 0.000 1 711 . 64 ARG HB3 H 1.495 0.000 1 712 . 64 ARG CG C 26.610 0.000 1 713 . 64 ARG HG2 H 1.280 0.000 1 714 . 64 ARG HG3 H 1.072 0.000 1 715 . 64 ARG CD C 43.300 0.000 1 716 . 64 ARG HD2 H 2.906 0.000 1 717 . 65 PHE H H 7.469 0.000 1 718 . 65 PHE N N 124.890 0.000 1 719 . 65 PHE CA C 59.190 0.000 1 720 . 65 PHE HA H 4.432 0.000 1 721 . 65 PHE C C 174.998 0.000 1 722 . 65 PHE CB C 40.440 0.000 1 723 . 65 PHE HB2 H 3.130 0.000 1 724 . 65 PHE HB3 H 2.642 0.000 1 725 . 65 PHE CD1 C 19.150 0.000 1 726 . 65 PHE HD1 H 7.177 0.000 2 727 . 65 PHE CD2 C 19.150 0.000 1 stop_ save_