data_5178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Fibronectin type III Domain from Bacillus circulans WL-12 Chitinase A1 ; _BMRB_accession_number 5178 _BMRB_flat_file_name bmr5178.str _Entry_type new _Submission_date 2001-10-15 _Accession_date 2001-10-16 _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 Jee JunGoo . . 2 Ikegami Takahisa . . 3 Hashimoto Masayuki . . 4 Kawabata Takeshi . . 5 Ikeguchi Mitsunori . . 6 Watanabe Takeshi . . 7 Shirakawa Masahiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 381 "13C chemical shifts" 316 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-16 update author 'update residue numbering' 2001-11-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Fibronectin type III Domain from Bacillus circulans WL-12 Chitinase A1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21638383 _PubMed_ID 11600504 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jee JunGoo . . 2 Ikegami Takahisa . . 3 Hashimoto Masayuki . . 4 Kawabata Takeshi . . 5 Ikeguchi Mitsunori . . 6 Watanabe Takeshi . . 7 Shirakawa Masahiro . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 277 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1388 _Page_last 1397 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_FnIIID _Saveframe_category molecular_system _Mol_system_name 'chitinase fibronectin type III domain' _Abbreviation_common FnIIID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FnIIID domain 2' $FnIIID 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_FnIIID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'chitinase FnIII domain' _Abbreviation_common FnIIID _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; HMAPTAPTNLASTAQTTSSI TLSWTASTDNVGVTGYDVYN GTALATTVTGTTATISGLAA DTSYTFTVKAKDAAGNVSAA SNAVSVKT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 557 HIS 2 558 MET 3 559 ALA 4 560 PRO 5 561 THR 6 562 ALA 7 563 PRO 8 564 THR 9 565 ASN 10 566 LEU 11 567 ALA 12 568 SER 13 569 THR 14 570 ALA 15 571 GLN 16 572 THR 17 573 THR 18 574 SER 19 575 SER 20 576 ILE 21 577 THR 22 578 LEU 23 579 SER 24 580 TRP 25 581 THR 26 582 ALA 27 583 SER 28 584 THR 29 585 ASP 30 586 ASN 31 587 VAL 32 588 GLY 33 589 VAL 34 590 THR 35 591 GLY 36 592 TYR 37 593 ASP 38 594 VAL 39 595 TYR 40 596 ASN 41 597 GLY 42 598 THR 43 599 ALA 44 600 LEU 45 601 ALA 46 602 THR 47 603 THR 48 604 VAL 49 605 THR 50 606 GLY 51 607 THR 52 608 THR 53 609 ALA 54 610 THR 55 611 ILE 56 612 SER 57 613 GLY 58 614 LEU 59 615 ALA 60 616 ALA 61 617 ASP 62 618 THR 63 619 SER 64 620 TYR 65 621 THR 66 622 PHE 67 623 THR 68 624 VAL 69 625 LYS 70 626 ALA 71 627 LYS 72 628 ASP 73 629 ALA 74 630 ALA 75 631 GLY 76 632 ASN 77 633 VAL 78 634 SER 79 635 ALA 80 636 ALA 81 637 SER 82 638 ASN 83 639 ALA 84 640 VAL 85 641 SER 86 642 VAL 87 643 LYS 88 644 THR stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1K85 'Solution Structure Of The Fibronectin Type Iii Domain From Bacillus Circulans Wl-12 Chitinase A1' 100.00 88 100.00 100.00 3.31e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FnIIID 'soil bacteria' 1397 Eubacteria . Bacillus circulans 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 $FnIIID '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 $FnIIID 1.0 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . KCl 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 310 1.5 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 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FnIIID domain 2' _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 1 558 2 MET CA C 55.478 . 1 2 558 2 MET CB C 33.442 . 1 3 558 2 MET HB2 H 2.013 . 2 4 558 2 MET CG C 31.989 . 1 5 558 2 MET HG2 H 2.553 . 2 6 558 2 MET C C 174.576 . 1 7 559 3 ALA N N 124.849 . 1 8 559 3 ALA H H 8.146 . 1 9 559 3 ALA CA C 50.507 . 1 10 559 3 ALA HA H 4.403 . 1 11 559 3 ALA CB C 18.670 . 1 12 559 3 ALA HB H 1.312 . 1 13 560 4 PRO CA C 62.377 . 1 14 560 4 PRO HA H 4.635 . 1 15 560 4 PRO CB C 31.893 . 1 16 560 4 PRO HB3 H 1.742 . 2 17 560 4 PRO HB2 H 2.208 . 2 18 560 4 PRO CG C 27.340 . 1 19 560 4 PRO HG3 H 1.711 . 2 20 560 4 PRO HG2 H 1.800 . 2 21 560 4 PRO CD C 50.275 . 1 22 560 4 PRO HD3 H 3.152 . 2 23 560 4 PRO HD2 H 3.635 . 2 24 560 4 PRO C C 175.861 . 1 25 561 5 THR N N 114.485 . 1 26 561 5 THR H H 8.500 . 1 27 561 5 THR CA C 62.229 . 1 28 561 5 THR HA H 4.219 . 1 29 561 5 THR CB C 69.644 . 1 30 561 5 THR HG2 H 1.409 . 1 31 561 5 THR C C 173.310 . 1 32 562 6 ALA N N 127.059 . 1 33 562 6 ALA H H 8.523 . 1 34 562 6 ALA CA C 51.029 . 1 35 562 6 ALA HA H 4.695 . 1 36 562 6 ALA CB C 18.360 . 1 37 562 6 ALA HB H 1.293 . 1 38 563 7 PRO CA C 62.729 . 1 39 563 7 PRO HA H 4.736 . 1 40 563 7 PRO CB C 32.949 . 1 41 563 7 PRO HB3 H 1.665 . 2 42 563 7 PRO HB2 H 2.483 . 2 43 563 7 PRO CG C 27.800 . 1 44 563 7 PRO HG3 H 1.679 . 2 45 563 7 PRO HG2 H 1.965 . 2 46 563 7 PRO CD C 50.456 . 1 47 563 7 PRO HD3 H 3.623 . 2 48 563 7 PRO HD2 H 4.211 . 2 49 563 7 PRO C C 175.240 . 1 50 564 8 THR N N 107.252 . 1 51 564 8 THR H H 7.871 . 1 52 564 8 THR CA C 59.273 . 1 53 564 8 THR HA H 4.822 . 1 54 564 8 THR CB C 72.948 . 1 55 564 8 THR HB H 4.246 . 1 56 564 8 THR CG2 C 22.194 . 1 57 564 8 THR HG2 H 1.255 . 1 58 564 8 THR C C 173.346 . 1 59 565 9 ASN N N 114.986 . 1 60 565 9 ASN H H 8.949 . 1 61 565 9 ASN CA C 54.089 . 1 62 565 9 ASN HA H 4.249 . 1 63 565 9 ASN CB C 37.500 . 1 64 565 9 ASN HB3 H 2.902 . 2 65 565 9 ASN HB2 H 3.000 . 2 66 565 9 ASN C C 174.520 . 1 67 566 10 LEU N N 121.118 . 1 68 566 10 LEU H H 9.214 . 1 69 566 10 LEU CA C 56.693 . 1 70 566 10 LEU HA H 5.023 . 1 71 566 10 LEU CB C 40.767 . 1 72 566 10 LEU HB3 H 1.098 . 2 73 566 10 LEU HB2 H 1.931 . 2 74 566 10 LEU CG C 27.280 . 1 75 566 10 LEU HG H 1.511 . 1 76 566 10 LEU CD1 C 27.120 . 1 77 566 10 LEU HD1 H 1.186 . 2 78 566 10 LEU CD2 C 27.300 . 1 79 566 10 LEU HD2 H 1.006 . 2 80 566 10 LEU C C 177.092 . 1 81 567 11 ALA N N 128.645 . 1 82 567 11 ALA H H 9.306 . 1 83 567 11 ALA CA C 51.489 . 1 84 567 11 ALA HA H 4.665 . 1 85 567 11 ALA CB C 22.176 . 1 86 567 11 ALA HB H 1.362 . 1 87 567 11 ALA C C 175.864 . 1 88 568 12 SER N N 113.350 . 1 89 568 12 SER H H 8.720 . 1 90 568 12 SER CA C 56.328 . 1 91 568 12 SER HA H 5.413 . 1 92 568 12 SER CB C 64.252 . 1 93 568 12 SER HB3 H 3.716 . 1 94 568 12 SER HB2 H 3.716 . 1 95 568 12 SER C C 175.662 . 1 96 569 13 THR N N 117.446 . 1 97 569 13 THR H H 8.628 . 1 98 569 13 THR CA C 61.658 . 1 99 569 13 THR HA H 4.439 . 1 100 569 13 THR CB C 69.091 . 1 101 569 13 THR HB H 4.233 . 1 102 569 13 THR CG2 C 22.376 . 1 103 569 13 THR HG2 H 1.080 . 1 104 569 13 THR C C 174.414 . 1 105 570 14 ALA N N 123.301 . 1 106 570 14 ALA H H 7.835 . 1 107 570 14 ALA CA C 52.822 . 1 108 570 14 ALA HA H 4.489 . 1 109 570 14 ALA CB C 20.773 . 1 110 570 14 ALA HB H 1.375 . 1 111 570 14 ALA C C 175.379 . 1 112 571 15 GLN N N 117.530 . 1 113 571 15 GLN H H 8.364 . 1 114 571 15 GLN CA C 56.118 . 1 115 571 15 GLN HA H 5.070 . 1 116 571 15 GLN CB C 31.993 . 1 117 571 15 GLN HB3 H 2.211 . 1 118 571 15 GLN HB2 H 2.211 . 1 119 571 15 GLN CG C 33.682 . 1 120 571 15 GLN HG3 H 2.371 . 1 121 571 15 GLN HG2 H 2.371 . 1 122 571 15 GLN C C 175.102 . 1 123 572 16 THR N N 115.061 . 1 124 572 16 THR H H 8.904 . 1 125 572 16 THR CA C 60.124 . 1 126 572 16 THR HA H 4.903 . 1 127 572 16 THR CB C 71.248 . 1 128 572 16 THR HB H 4.740 . 1 129 572 16 THR CG2 C 20.616 . 1 130 572 16 THR HG2 H 1.206 . 1 131 572 16 THR C C 174.936 . 1 132 573 17 THR N N 109.743 . 1 133 573 17 THR H H 8.186 . 1 134 573 17 THR CA C 64.813 . 1 135 573 17 THR HA H 4.343 . 1 136 573 17 THR CB C 69.302 . 1 137 573 17 THR HB H 4.454 . 1 138 573 17 THR CG2 C 19.287 . 1 139 573 17 THR HG2 H 1.441 . 1 140 573 17 THR C C 174.721 . 1 141 574 18 SER N N 109.889 . 1 142 574 18 SER H H 7.952 . 1 143 574 18 SER CA C 57.310 . 1 144 574 18 SER HA H 4.721 . 1 145 574 18 SER CB C 65.655 . 1 146 574 18 SER HB3 H 3.779 . 2 147 574 18 SER HB2 H 4.227 . 2 148 574 18 SER C C 173.337 . 1 149 575 19 SER N N 117.005 . 1 150 575 19 SER H H 7.602 . 1 151 575 19 SER CA C 57.027 . 1 152 575 19 SER HA H 5.579 . 1 153 575 19 SER CB C 67.446 . 1 154 575 19 SER HB3 H 3.668 . 1 155 575 19 SER HB2 H 3.668 . 1 156 575 19 SER C C 171.465 . 1 157 576 20 ILE N N 118.912 . 1 158 576 20 ILE H H 8.543 . 1 159 576 20 ILE CA C 59.484 . 1 160 576 20 ILE HA H 4.742 . 1 161 576 20 ILE CB C 42.793 . 1 162 576 20 ILE HB H 1.495 . 1 163 576 20 ILE CG1 C 28.234 . 1 164 576 20 ILE HG13 H 1.027 . 1 165 576 20 ILE HG12 H 1.027 . 1 166 576 20 ILE CD1 C 14.863 . 1 167 576 20 ILE HD1 H 0.800 . 1 168 576 20 ILE CG2 C 17.661 . 1 169 576 20 ILE HG2 H 0.660 . 1 170 576 20 ILE C C 173.615 . 1 171 577 21 THR N N 123.202 . 1 172 577 21 THR H H 8.789 . 1 173 577 21 THR CA C 62.219 . 1 174 577 21 THR HA H 5.119 . 1 175 577 21 THR CB C 70.424 . 1 176 577 21 THR HB H 3.847 . 1 177 577 21 THR CG2 C 21.505 . 1 178 577 21 THR HG2 H 1.031 . 1 179 577 21 THR C C 173.246 . 1 180 578 22 LEU N N 128.196 . 1 181 578 22 LEU H H 9.284 . 1 182 578 22 LEU CA C 52.892 . 1 183 578 22 LEU HA H 5.451 . 1 184 578 22 LEU CB C 46.230 . 1 185 578 22 LEU HB3 H 1.712 . 2 186 578 22 LEU HB2 H 1.790 . 2 187 578 22 LEU CG C 26.794 . 1 188 578 22 LEU HG H 1.305 . 1 189 578 22 LEU CD1 C 22.519 . 1 190 578 22 LEU HD1 H 0.549 . 2 191 578 22 LEU CD2 C 26.027 . 1 192 578 22 LEU HD2 H 0.340 . 2 193 578 22 LEU C C 175.857 . 1 194 579 23 SER N N 114.858 . 1 195 579 23 SER H H 9.063 . 1 196 579 23 SER CA C 57.161 . 1 197 579 23 SER HA H 5.045 . 1 198 579 23 SER CB C 66.651 . 1 199 579 23 SER HB3 H 3.608 . 2 200 579 23 SER HB2 H 3.664 . 2 201 579 23 SER C C 172.401 . 1 202 580 24 TRP N N 119.703 . 1 203 580 24 TRP NE1 N 122.980 . 1 204 580 24 TRP H H 7.717 . 1 205 580 24 TRP CA C 56.679 . 1 206 580 24 TRP HA H 5.088 . 1 207 580 24 TRP CB C 30.521 . 1 208 580 24 TRP HB3 H 3.340 . 2 209 580 24 TRP HB2 H 3.067 . 2 210 580 24 TRP HD1 H 6.415 . 1 211 580 24 TRP HZ2 H 7.052 . 1 212 580 24 TRP HH2 H 6.471 . 1 213 580 24 TRP HZ3 H 6.444 . 1 214 580 24 TRP HE1 H 5.802 . 1 215 580 24 TRP HE3 H 6.879 . 1 216 580 24 TRP C C 173.847 . 1 217 581 25 THR N N 115.990 . 1 218 581 25 THR H H 9.046 . 1 219 581 25 THR CA C 62.373 . 1 220 581 25 THR HA H 4.413 . 1 221 581 25 THR CB C 69.703 . 1 222 581 25 THR HB H 4.224 . 1 223 581 25 THR CG2 C 21.995 . 1 224 581 25 THR HG2 H 1.322 . 1 225 581 25 THR C C 173.999 . 1 226 582 26 ALA N N 127.402 . 1 227 582 26 ALA H H 8.562 . 1 228 582 26 ALA CA C 52.315 . 1 229 582 26 ALA HA H 4.336 . 1 230 582 26 ALA CB C 19.877 . 1 231 582 26 ALA HB H 1.513 . 1 232 582 26 ALA C C 178.727 . 1 233 583 27 SER N N 116.837 . 1 234 583 27 SER H H 8.366 . 1 235 583 27 SER CA C 59.764 . 1 236 583 27 SER HA H 4.704 . 1 237 583 27 SER CB C 64.323 . 1 238 583 27 SER HB3 H 3.906 . 2 239 583 27 SER HB2 H 3.845 . 2 240 583 27 SER C C 174.916 . 1 241 584 28 THR N N 116.414 . 1 242 584 28 THR H H 8.291 . 1 243 584 28 THR CA C 62.710 . 1 244 584 28 THR HA H 4.337 . 1 245 584 28 THR CB C 69.792 . 1 246 584 28 THR CG2 C 21.486 . 1 247 584 28 THR HG2 H 1.318 . 1 248 584 28 THR C C 174.471 . 1 249 585 29 ASP N N 120.860 . 1 250 585 29 ASP H H 8.212 . 1 251 585 29 ASP CA C 54.294 . 1 252 585 29 ASP HA H 4.715 . 1 253 585 29 ASP CB C 41.461 . 1 254 585 29 ASP HB3 H 2.685 . 2 255 585 29 ASP HB2 H 2.747 . 2 256 585 29 ASP C C 175.677 . 1 257 586 30 ASN N N 118.863 . 1 258 586 30 ASN H H 8.209 . 1 259 586 30 ASN CA C 54.416 . 1 260 586 30 ASN HA H 4.654 . 1 261 586 30 ASN CB C 38.793 . 1 262 586 30 ASN HB3 H 2.912 . 1 263 586 30 ASN HB2 H 2.912 . 1 264 586 30 ASN C C 175.817 . 1 265 587 31 VAL N N 119.490 . 1 266 587 31 VAL H H 8.161 . 1 267 587 31 VAL CA C 63.382 . 1 268 587 31 VAL HA H 4.158 . 1 269 587 31 VAL CB C 32.736 . 1 270 587 31 VAL HB H 2.165 . 1 271 587 31 VAL CG1 C 20.905 . 1 272 587 31 VAL HG1 H 0.993 . 2 273 587 31 VAL C C 176.676 . 1 274 588 32 GLY N N 110.701 . 1 275 588 32 GLY H H 8.571 . 1 276 588 32 GLY CA C 45.669 . 1 277 588 32 GLY HA3 H 3.972 . 2 278 588 32 GLY HA2 H 4.050 . 2 279 588 32 GLY C C 173.848 . 1 280 589 33 VAL N N 122.168 . 1 281 589 33 VAL H H 7.910 . 1 282 589 33 VAL CA C 63.271 . 1 283 589 33 VAL HA H 4.187 . 1 284 589 33 VAL CB C 32.555 . 1 285 589 33 VAL HB H 2.086 . 1 286 589 33 VAL CG2 C 23.006 . 1 287 589 33 VAL HG2 H 0.940 . 2 288 589 33 VAL CG1 C 21.344 . 1 289 589 33 VAL HG1 H 0.842 . 2 290 589 33 VAL C C 177.360 . 1 291 590 34 THR N N 119.122 . 1 292 590 34 THR H H 8.965 . 1 293 590 34 THR CA C 61.698 . 1 294 590 34 THR HA H 4.449 . 1 295 590 34 THR CB C 68.807 . 1 296 590 34 THR HB H 4.231 . 1 297 590 34 THR CG2 C 22.245 . 1 298 590 34 THR HG2 H 1.123 . 1 299 590 34 THR C C 175.106 . 1 300 591 35 GLY N N 109.304 . 1 301 591 35 GLY H H 7.382 . 1 302 591 35 GLY CA C 45.248 . 1 303 591 35 GLY HA3 H 4.082 . 1 304 591 35 GLY HA2 H 4.082 . 1 305 591 35 GLY C C 169.200 . 1 306 592 36 TYR N N 115.420 . 1 307 592 36 TYR H H 9.188 . 1 308 592 36 TYR CA C 56.782 . 1 309 592 36 TYR HA H 5.360 . 1 310 592 36 TYR CB C 41.873 . 1 311 592 36 TYR HB3 H 2.575 . 2 312 592 36 TYR HB2 H 2.891 . 2 313 592 36 TYR HD1 H 7.060 . 2 314 592 36 TYR HE1 H 6.905 . 2 315 592 36 TYR C C 174.394 . 1 316 593 37 ASP N N 123.641 . 1 317 593 37 ASP H H 9.056 . 1 318 593 37 ASP CA C 53.055 . 1 319 593 37 ASP HA H 5.149 . 1 320 593 37 ASP CB C 43.613 . 1 321 593 37 ASP HB3 H 2.231 . 2 322 593 37 ASP HB2 H 2.504 . 2 323 593 37 ASP C C 174.429 . 1 324 594 38 VAL N N 122.866 . 1 325 594 38 VAL H H 8.733 . 1 326 594 38 VAL CA C 61.133 . 1 327 594 38 VAL HA H 4.451 . 1 328 594 38 VAL CB C 32.568 . 1 329 594 38 VAL HB H 1.928 . 1 330 594 38 VAL CG2 C 20.600 . 1 331 594 38 VAL HG2 H 0.672 . 2 332 594 38 VAL CG1 C 21.083 . 1 333 594 38 VAL HG1 H 0.787 . 2 334 594 38 VAL C C 174.754 . 1 335 595 39 TYR N N 128.126 . 1 336 595 39 TYR H H 9.631 . 1 337 595 39 TYR CA C 58.291 . 1 338 595 39 TYR HA H 4.867 . 1 339 595 39 TYR CB C 40.059 . 1 340 595 39 TYR HB3 H 2.780 . 2 341 595 39 TYR HB2 H 2.971 . 2 342 595 39 TYR HD1 H 6.704 . 2 343 595 39 TYR HE1 H 6.670 . 2 344 595 39 TYR C C 174.812 . 1 345 596 40 ASN N N 119.635 . 1 346 596 40 ASN H H 8.872 . 1 347 596 40 ASN CA C 50.769 . 1 348 596 40 ASN HA H 4.781 . 1 349 596 40 ASN CB C 39.140 . 1 350 596 40 ASN HB3 H 2.425 . 2 351 596 40 ASN HB2 H 3.140 . 2 352 596 40 ASN C C 176.782 . 1 353 597 41 GLY N N 114.858 . 1 354 597 41 GLY H H 9.063 . 1 355 597 41 GLY CA C 47.146 . 1 356 597 41 GLY HA3 H 3.623 . 2 357 597 41 GLY HA2 H 4.230 . 2 358 597 41 GLY C C 175.950 . 1 359 598 42 THR N N 118.042 . 1 360 598 42 THR H H 8.817 . 1 361 598 42 THR CA C 61.868 . 1 362 598 42 THR HA H 4.326 . 1 363 598 42 THR CB C 69.091 . 1 364 598 42 THR HB H 4.560 . 1 365 598 42 THR CG2 C 21.594 . 1 366 598 42 THR HG2 H 1.220 . 1 367 598 42 THR C C 174.070 . 1 368 599 43 ALA N N 126.475 . 1 369 599 43 ALA H H 8.114 . 1 370 599 43 ALA CA C 51.209 . 1 371 599 43 ALA HA H 4.681 . 1 372 599 43 ALA CB C 20.984 . 1 373 599 43 ALA HB H 1.515 . 1 374 599 43 ALA C C 176.256 . 1 375 600 44 LEU N N 125.934 . 1 376 600 44 LEU H H 8.593 . 1 377 600 44 LEU CA C 56.258 . 1 378 600 44 LEU HA H 3.436 . 1 379 600 44 LEU CB C 41.460 . 1 380 600 44 LEU HB3 H 1.180 . 2 381 600 44 LEU HB2 H 1.685 . 2 382 600 44 LEU CG C 27.458 . 1 383 600 44 LEU HG H 1.034 . 1 384 600 44 LEU CD1 C 23.649 . 1 385 600 44 LEU HD1 H 0.432 . 2 386 600 44 LEU CD2 C 25.417 . 1 387 600 44 LEU HD2 H 0.652 . 2 388 600 44 LEU C C 176.152 . 1 389 601 45 ALA N N 132.833 . 1 390 601 45 ALA H H 9.680 . 1 391 601 45 ALA CA C 53.453 . 1 392 601 45 ALA HA H 4.560 . 1 393 601 45 ALA CB C 20.358 . 1 394 601 45 ALA HB H 1.430 . 1 395 601 45 ALA C C 177.618 . 1 396 602 46 THR N N 108.912 . 1 397 602 46 THR H H 7.610 . 1 398 602 46 THR CA C 60.886 . 1 399 602 46 THR HA H 4.534 . 1 400 602 46 THR CB C 67.548 . 1 401 602 46 THR HB H 4.409 . 1 402 602 46 THR CG2 C 18.683 . 1 403 602 46 THR HG2 H 0.970 . 1 404 602 46 THR C C 170.130 . 1 405 603 47 THR N N 121.108 . 1 406 603 47 THR H H 7.822 . 1 407 603 47 THR CA C 61.447 . 1 408 603 47 THR HA H 5.730 . 1 409 603 47 THR CB C 71.826 . 1 410 603 47 THR HB H 3.799 . 1 411 603 47 THR CG2 C 20.625 . 1 412 603 47 THR HG2 H 1.240 . 1 413 603 47 THR C C 174.223 . 1 414 604 48 VAL N N 118.484 . 1 415 604 48 VAL H H 9.277 . 1 416 604 48 VAL CA C 59.169 . 1 417 604 48 VAL HA H 5.226 . 1 418 604 48 VAL CB C 36.277 . 1 419 604 48 VAL HB H 2.744 . 1 420 604 48 VAL CG2 C 22.832 . 1 421 604 48 VAL HG2 H 1.221 . 2 422 604 48 VAL CG1 C 18.717 . 1 423 604 48 VAL HG1 H 1.334 . 2 424 604 48 VAL C C 175.912 . 1 425 605 49 THR N N 109.736 . 1 426 605 49 THR H H 8.648 . 1 427 605 49 THR CA C 62.569 . 1 428 605 49 THR HA H 4.818 . 1 429 605 49 THR CB C 69.652 . 1 430 605 49 THR HB H 4.517 . 1 431 605 49 THR CG2 C 22.070 . 1 432 605 49 THR HG2 H 1.435 . 1 433 605 49 THR C C 175.717 . 1 434 606 50 GLY N N 111.282 . 1 435 606 50 GLY H H 7.649 . 1 436 606 50 GLY CA C 44.196 . 1 437 606 50 GLY HA3 H 3.885 . 2 438 606 50 GLY HA2 H 4.582 . 2 439 606 50 GLY C C 171.098 . 1 440 607 51 THR N N 102.715 . 1 441 607 51 THR H H 7.344 . 1 442 607 51 THR CA C 59.203 . 1 443 607 51 THR HA H 3.273 . 1 444 607 51 THR CB C 66.637 . 1 445 607 51 THR HB H 4.003 . 1 446 607 51 THR CG2 C 20.934 . 1 447 607 51 THR HG2 H 0.801 . 1 448 607 51 THR C C 172.141 . 1 449 608 52 THR N N 109.005 . 1 450 608 52 THR H H 6.445 . 1 451 608 52 THR CA C 59.092 . 1 452 608 52 THR HA H 4.562 . 1 453 608 52 THR CB C 71.667 . 1 454 608 52 THR HB H 3.784 . 1 455 608 52 THR CG2 C 19.998 . 1 456 608 52 THR HG2 H 0.886 . 1 457 608 52 THR C C 172.413 . 1 458 609 53 ALA N N 123.654 . 1 459 609 53 ALA H H 8.521 . 1 460 609 53 ALA CA C 51.840 . 1 461 609 53 ALA HA H 4.746 . 1 462 609 53 ALA CB C 23.438 . 1 463 609 53 ALA HB H 1.445 . 1 464 609 53 ALA C C 175.454 . 1 465 610 54 THR N N 118.838 . 1 466 610 54 THR H H 8.829 . 1 467 610 54 THR CA C 62.289 . 1 468 610 54 THR HA H 5.103 . 1 469 610 54 THR CB C 70.424 . 1 470 610 54 THR HB H 3.877 . 1 471 610 54 THR CG2 C 21.109 . 1 472 610 54 THR HG2 H 1.000 . 1 473 610 54 THR C C 173.100 . 1 474 611 55 ILE N N 130.374 . 1 475 611 55 ILE H H 9.107 . 1 476 611 55 ILE CA C 59.273 . 1 477 611 55 ILE HA H 4.290 . 1 478 611 55 ILE CB C 37.323 . 1 479 611 55 ILE HB H 1.777 . 1 480 611 55 ILE CG1 C 27.442 . 1 481 611 55 ILE CD1 C 12.025 . 1 482 611 55 ILE HD1 H 0.559 . 1 483 611 55 ILE CG2 C 18.550 . 1 484 611 55 ILE HG2 H 0.948 . 1 485 611 55 ILE C C 174.514 . 1 486 612 56 SER N N 121.663 . 1 487 612 56 SER H H 8.481 . 1 488 612 56 SER CA C 56.889 . 1 489 612 56 SER HA H 5.104 . 1 490 612 56 SER CB C 65.374 . 1 491 612 56 SER HB3 H 3.805 . 2 492 612 56 SER HB2 H 3.849 . 2 493 612 56 SER C C 173.713 . 1 494 613 57 GLY N N 108.065 . 1 495 613 57 GLY H H 8.491 . 1 496 613 57 GLY CA C 46.230 . 1 497 613 57 GLY HA3 H 3.863 . 2 498 613 57 GLY HA2 H 4.019 . 2 499 613 57 GLY C C 175.538 . 1 500 614 58 LEU N N 119.490 . 1 501 614 58 LEU H H 8.161 . 1 502 614 58 LEU CA C 54.327 . 1 503 614 58 LEU HA H 4.191 . 1 504 614 58 LEU CB C 41.278 . 1 505 614 58 LEU HB3 H 1.248 . 2 506 614 58 LEU HB2 H 1.426 . 2 507 614 58 LEU CD1 C 25.860 . 1 508 614 58 LEU HD1 H 0.388 . 2 509 614 58 LEU CD2 C 20.262 . 1 510 614 58 LEU HD2 H 0.172 . 2 511 614 58 LEU C C 176.145 . 1 512 615 59 ALA N N 125.070 . 1 513 615 59 ALA H H 8.273 . 1 514 615 59 ALA CA C 51.419 . 1 515 615 59 ALA HA H 4.492 . 1 516 615 59 ALA CB C 20.142 . 1 517 615 59 ALA HB H 1.508 . 1 518 615 59 ALA C C 177.626 . 1 519 616 60 ALA N N 123.577 . 1 520 616 60 ALA H H 8.309 . 1 521 616 60 ALA CA C 52.108 . 1 522 616 60 ALA HA H 4.501 . 1 523 616 60 ALA CB C 20.328 . 1 524 616 60 ALA HB H 1.478 . 1 525 616 60 ALA C C 178.504 . 1 526 617 61 ASP N N 121.632 . 1 527 617 61 ASP H H 8.439 . 1 528 617 61 ASP CA C 55.747 . 1 529 617 61 ASP HA H 4.469 . 1 530 617 61 ASP CB C 39.950 . 1 531 617 61 ASP HB3 H 2.523 . 2 532 617 61 ASP HB2 H 2.956 . 2 533 617 61 ASP C C 175.095 . 1 534 618 62 THR N N 114.240 . 1 535 618 62 THR H H 8.111 . 1 536 618 62 THR CA C 62.219 . 1 537 618 62 THR HA H 4.426 . 1 538 618 62 THR CB C 71.896 . 1 539 618 62 THR HB H 3.673 . 1 540 618 62 THR CG2 C 19.540 . 1 541 618 62 THR HG2 H 0.647 . 1 542 618 62 THR C C 171.381 . 1 543 619 63 SER N N 119.086 . 1 544 619 63 SER H H 8.045 . 1 545 619 63 SER CA C 57.801 . 1 546 619 63 SER HA H 5.162 . 1 547 619 63 SER CB C 64.533 . 1 548 619 63 SER HB3 H 3.617 . 2 549 619 63 SER HB2 H 3.714 . 2 550 619 63 SER C C 173.059 . 1 551 620 64 TYR N N 124.399 . 1 552 620 64 TYR H H 9.016 . 1 553 620 64 TYR CA C 57.679 . 1 554 620 64 TYR HA H 4.692 . 1 555 620 64 TYR CB C 43.861 . 1 556 620 64 TYR HB3 H 2.440 . 1 557 620 64 TYR HB2 H 2.440 . 1 558 620 64 TYR HD1 H 7.147 . 2 559 620 64 TYR HE1 H 6.944 . 2 560 620 64 TYR C C 175.193 . 1 561 621 65 THR N N 117.594 . 1 562 621 65 THR H H 8.558 . 1 563 621 65 THR CA C 61.587 . 1 564 621 65 THR HA H 5.193 . 1 565 621 65 THR CB C 71.195 . 1 566 621 65 THR HB H 3.844 . 1 567 621 65 THR CG2 C 21.976 . 1 568 621 65 THR HG2 H 1.109 . 1 569 621 65 THR C C 173.359 . 1 570 622 66 PHE N N 125.936 . 1 571 622 66 PHE H H 9.293 . 1 572 622 66 PHE CA C 56.658 . 1 573 622 66 PHE HA H 6.072 . 1 574 622 66 PHE CB C 43.113 . 1 575 622 66 PHE HB3 H 2.683 . 2 576 622 66 PHE HB2 H 2.946 . 2 577 622 66 PHE HD1 H 7.142 . 2 578 622 66 PHE HE1 H 6.955 . 2 579 622 66 PHE HZ H 6.670 . 1 580 622 66 PHE C C 175.246 . 1 581 623 67 THR N N 108.107 . 1 582 623 67 THR H H 8.399 . 1 583 623 67 THR CA C 60.465 . 1 584 623 67 THR HA H 4.323 . 1 585 623 67 THR CB C 74.842 . 1 586 623 67 THR HB H 3.918 . 1 587 623 67 THR CG2 C 23.617 . 1 588 623 67 THR HG2 H 1.122 . 1 589 623 67 THR C C 172.492 . 1 590 624 68 VAL N N 117.158 . 1 591 624 68 VAL H H 8.356 . 1 592 624 68 VAL CA C 59.984 . 1 593 624 68 VAL HA H 5.339 . 1 594 624 68 VAL CB C 35.413 . 1 595 624 68 VAL HB H 1.061 . 1 596 624 68 VAL HG2 H -0.030 . 1 597 624 68 VAL CG1 C 21.634 . 1 598 624 68 VAL HG1 H -0.030 . 1 599 624 68 VAL C C 174.621 . 1 600 625 69 LYS N N 122.245 . 1 601 625 69 LYS H H 8.893 . 1 602 625 69 LYS CA C 55.337 . 1 603 625 69 LYS HA H 4.560 . 1 604 625 69 LYS CB C 37.032 . 1 605 625 69 LYS HB3 H 1.659 . 2 606 625 69 LYS HB2 H 2.011 . 2 607 625 69 LYS CG C 26.511 . 1 608 625 69 LYS HG3 H 1.099 . 2 609 625 69 LYS HG2 H 1.228 . 2 610 625 69 LYS CD C 29.300 . 1 611 625 69 LYS HD3 H 1.519 . 2 612 625 69 LYS HD2 H 1.858 . 2 613 625 69 LYS CE C 42.555 . 1 614 625 69 LYS HE3 H 2.500 . 2 615 625 69 LYS HE2 H 2.573 . 2 616 625 69 LYS C C 175.188 . 1 617 626 70 ALA N N 124.580 . 1 618 626 70 ALA H H 8.949 . 1 619 626 70 ALA CA C 50.943 . 1 620 626 70 ALA HA H 4.746 . 1 621 626 70 ALA CB C 22.492 . 1 622 626 70 ALA HB H 1.466 . 1 623 626 70 ALA C C 175.677 . 1 624 627 71 LYS N N 118.863 . 1 625 627 71 LYS H H 8.209 . 1 626 627 71 LYS CA C 54.281 . 1 627 627 71 LYS HA H 5.480 . 1 628 627 71 LYS CB C 36.046 . 1 629 627 71 LYS HB3 H 1.503 . 2 630 627 71 LYS HB2 H 1.591 . 2 631 627 71 LYS CG C 23.300 . 1 632 627 71 LYS HG3 H 1.195 . 2 633 627 71 LYS HG2 H 1.300 . 2 634 627 71 LYS CD C 29.776 . 1 635 627 71 LYS HD3 H 2.048 . 2 636 627 71 LYS HD2 H 2.164 . 2 637 627 71 LYS CE C 41.469 . 1 638 627 71 LYS HE3 H 2.665 . 2 639 627 71 LYS HE2 H 2.804 . 2 640 627 71 LYS C C 175.107 . 1 641 628 72 ASP N N 120.425 . 1 642 628 72 ASP H H 8.084 . 1 643 628 72 ASP CA C 51.770 . 1 644 628 72 ASP HA H 5.286 . 1 645 628 72 ASP CB C 43.284 . 1 646 628 72 ASP HB3 H 2.429 . 2 647 628 72 ASP HB2 H 3.345 . 2 648 628 72 ASP C C 178.313 . 1 649 629 73 ALA N N 120.174 . 1 650 629 73 ALA H H 8.370 . 1 651 629 73 ALA CA C 54.224 . 1 652 629 73 ALA HA H 4.132 . 1 653 629 73 ALA CB C 18.389 . 1 654 629 73 ALA HB H 1.447 . 1 655 629 73 ALA C C 178.327 . 1 656 630 74 ALA N N 120.231 . 1 657 630 74 ALA H H 7.900 . 1 658 630 74 ALA CA C 51.736 . 1 659 630 74 ALA HA H 4.437 . 1 660 630 74 ALA CB C 19.151 . 1 661 630 74 ALA HB H 1.417 . 1 662 630 74 ALA C C 177.558 . 1 663 631 75 GLY N N 106.794 . 1 664 631 75 GLY H H 8.015 . 1 665 631 75 GLY CA C 45.388 . 1 666 631 75 GLY HA3 H 3.541 . 2 667 631 75 GLY HA2 H 4.266 . 2 668 631 75 GLY C C 174.885 . 1 669 632 76 ASN N N 120.990 . 1 670 632 76 ASN H H 8.944 . 1 671 632 76 ASN CA C 53.853 . 1 672 632 76 ASN HA H 4.744 . 1 673 632 76 ASN CB C 39.003 . 1 674 632 76 ASN HB3 H 2.558 . 2 675 632 76 ASN HB2 H 3.069 . 2 676 632 76 ASN C C 174.580 . 1 677 633 77 VAL N N 116.648 . 1 678 633 77 VAL H H 8.213 . 1 679 633 77 VAL CA C 59.694 . 1 680 633 77 VAL HA H 5.337 . 1 681 633 77 VAL CB C 34.869 . 1 682 633 77 VAL HB H 2.086 . 1 683 633 77 VAL CG2 C 20.304 . 1 684 633 77 VAL HG2 H 0.997 . 2 685 633 77 VAL CG1 C 22.144 . 1 686 633 77 VAL HG1 H 1.110 . 2 687 633 77 VAL C C 176.381 . 1 688 634 78 SER N N 119.619 . 1 689 634 78 SER H H 9.068 . 1 690 634 78 SER CA C 58.149 . 1 691 634 78 SER HA H 4.440 . 1 692 634 78 SER CB C 67.342 . 1 693 634 78 SER HB3 H 3.598 . 2 694 634 78 SER HB2 H 4.241 . 2 695 634 78 SER C C 174.489 . 1 696 635 79 ALA N N 119.449 . 1 697 635 79 ALA H H 8.451 . 1 698 635 79 ALA CA C 52.190 . 1 699 635 79 ALA HA H 4.408 . 1 700 635 79 ALA CB C 19.160 . 1 701 635 79 ALA HB H 1.520 . 1 702 635 79 ALA C C 177.643 . 1 703 636 80 ALA N N 122.249 . 1 704 636 80 ALA H H 8.518 . 1 705 636 80 ALA CA C 52.714 . 1 706 636 80 ALA HA H 4.244 . 1 707 636 80 ALA CB C 19.537 . 1 708 636 80 ALA HB H 1.398 . 1 709 636 80 ALA C C 178.807 . 1 710 637 81 SER N N 113.238 . 1 711 637 81 SER H H 8.316 . 1 712 637 81 SER CA C 58.502 . 1 713 637 81 SER HA H 4.572 . 1 714 637 81 SER CB C 66.216 . 1 715 637 81 SER HB3 H 3.745 . 2 716 637 81 SER HB2 H 4.106 . 2 717 637 81 SER C C 172.713 . 1 718 638 82 ASN N N 113.881 . 1 719 638 82 ASN H H 8.269 . 1 720 638 82 ASN CA C 55.276 . 1 721 638 82 ASN HA H 4.508 . 1 722 638 82 ASN CB C 37.955 . 1 723 638 82 ASN HB2 H 2.860 . 2 724 638 82 ASN C C 173.716 . 1 725 639 83 ALA N N 124.751 . 1 726 639 83 ALA H H 8.543 . 1 727 639 83 ALA CA C 50.690 . 1 728 639 83 ALA HA H 5.238 . 1 729 639 83 ALA CB C 20.487 . 1 730 639 83 ALA HB H 1.224 . 1 731 639 83 ALA C C 178.767 . 1 732 640 84 VAL N N 120.908 . 1 733 640 84 VAL H H 8.850 . 1 734 640 84 VAL CA C 60.886 . 1 735 640 84 VAL HA H 4.606 . 1 736 640 84 VAL CB C 34.869 . 1 737 640 84 VAL HB H 1.925 . 1 738 640 84 VAL CG1 C 21.803 . 1 739 640 84 VAL HG1 H 0.949 . 2 740 640 84 VAL C C 174.281 . 1 741 641 85 SER N N 122.866 . 1 742 641 85 SER H H 8.733 . 1 743 641 85 SER CA C 57.089 . 1 744 641 85 SER HA H 5.747 . 1 745 641 85 SER CB C 64.504 . 1 746 641 85 SER HB3 H 3.764 . 2 747 641 85 SER HB2 H 3.867 . 2 748 641 85 SER C C 174.106 . 1 749 642 86 VAL N N 124.490 . 1 750 642 86 VAL H H 9.186 . 1 751 642 86 VAL CA C 60.634 . 1 752 642 86 VAL HA H 4.591 . 1 753 642 86 VAL CB C 36.407 . 1 754 642 86 VAL HB H 2.210 . 1 755 642 86 VAL CG2 C 20.984 . 1 756 642 86 VAL HG2 H 1.102 . 2 757 642 86 VAL CG1 C 21.526 . 1 758 642 86 VAL HG1 H 1.077 . 2 759 642 86 VAL C C 174.832 . 1 760 643 87 LYS N N 127.059 . 1 761 643 87 LYS H H 8.523 . 1 762 643 87 LYS CA C 54.844 . 1 763 643 87 LYS HA H 5.366 . 1 764 643 87 LYS CB C 34.638 . 1 765 643 87 LYS HB3 H 1.668 . 2 766 643 87 LYS HB2 H 1.911 . 2 767 643 87 LYS CG C 24.526 . 1 768 643 87 LYS HG3 H 1.635 . 2 769 643 87 LYS HG2 H 1.348 . 2 770 643 87 LYS CD C 29.370 . 1 771 643 87 LYS CE C 42.176 . 1 772 643 87 LYS HE3 H 2.912 . 1 773 643 87 LYS HE2 H 2.912 . 1 774 643 87 LYS C C 176.688 . 1 775 644 88 THR N N 123.642 . 1 776 644 88 THR H H 8.912 . 1 777 644 88 THR CA C 62.589 . 1 778 644 88 THR HA H 4.253 . 1 779 644 88 THR CB C 70.615 . 1 780 644 88 THR HB H 4.852 . 1 781 644 88 THR CG2 C 23.331 . 1 782 644 88 THR HG2 H 1.280 . 1 stop_ save_