data_10037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third mbt domain from human KIAA1798 protein ; _BMRB_accession_number 10037 _BMRB_flat_file_name bmr10037.str _Entry_type original _Submission_date 2006-11-02 _Accession_date 2006-11-02 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 570 "13C chemical shifts" 439 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third mbt domain from human KIAA1798 protein' _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'KIAA1798 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA1798 protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mbt domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSGSSGVKPPHGFQKKMKL EVVDKRNPMFIRVATVADTD DHRVKVHFDGWNNCYDYWID ADSPDIHPVGWCSKTGHPLQ PPLSPLELMEASEHGGCSTP GSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 LYS 10 PRO 11 PRO 12 HIS 13 GLY 14 PHE 15 GLN 16 LYS 17 LYS 18 MET 19 LYS 20 LEU 21 GLU 22 VAL 23 VAL 24 ASP 25 LYS 26 ARG 27 ASN 28 PRO 29 MET 30 PHE 31 ILE 32 ARG 33 VAL 34 ALA 35 THR 36 VAL 37 ALA 38 ASP 39 THR 40 ASP 41 ASP 42 HIS 43 ARG 44 VAL 45 LYS 46 VAL 47 HIS 48 PHE 49 ASP 50 GLY 51 TRP 52 ASN 53 ASN 54 CYS 55 TYR 56 ASP 57 TYR 58 TRP 59 ILE 60 ASP 61 ALA 62 ASP 63 SER 64 PRO 65 ASP 66 ILE 67 HIS 68 PRO 69 VAL 70 GLY 71 TRP 72 CYS 73 SER 74 LYS 75 THR 76 GLY 77 HIS 78 PRO 79 LEU 80 GLN 81 PRO 82 PRO 83 LEU 84 SER 85 PRO 86 LEU 87 GLU 88 LEU 89 MET 90 GLU 91 ALA 92 SER 93 GLU 94 HIS 95 GLY 96 GLY 97 CYS 98 SER 99 THR 100 PRO 101 GLY 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1WJQ "Solution Structure Of The Third Mbt Domain From Human Kiaa1798 Protein" 100.00 107 100.00 100.00 2.88e-72 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_1 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_1 'cell free synthesis' . . . . plasmid P040119-32 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_1 1.18 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'KIAA1798 protein' _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 8 8 VAL H H 7.971 0.030 1 2 8 8 VAL HA H 4.132 0.030 1 3 8 8 VAL HB H 2.054 0.030 1 4 8 8 VAL HG1 H 0.924 0.030 1 5 8 8 VAL HG2 H 0.930 0.030 1 6 8 8 VAL C C 176.025 0.300 1 7 8 8 VAL CA C 62.166 0.300 1 8 8 8 VAL CB C 32.880 0.300 1 9 8 8 VAL CG1 C 21.123 0.300 2 10 8 8 VAL CG2 C 20.481 0.300 2 11 8 8 VAL N N 119.530 0.300 1 12 9 9 LYS H H 8.444 0.030 1 13 9 9 LYS HA H 4.622 0.030 1 14 9 9 LYS HB2 H 1.698 0.030 2 15 9 9 LYS HB3 H 1.814 0.030 2 16 9 9 LYS HG2 H 1.466 0.030 1 17 9 9 LYS HG3 H 1.466 0.030 1 18 9 9 LYS HE2 H 2.993 0.030 1 19 9 9 LYS HE3 H 2.993 0.030 1 20 9 9 LYS C C 173.881 0.300 1 21 9 9 LYS CA C 54.080 0.300 1 22 9 9 LYS CB C 32.699 0.300 1 23 9 9 LYS CG C 24.671 0.300 1 24 9 9 LYS CE C 42.192 0.300 1 25 9 9 LYS N N 127.268 0.300 1 26 10 10 PRO HA H 4.837 0.030 1 27 10 10 PRO HB2 H 2.387 0.030 2 28 10 10 PRO HB3 H 1.984 0.030 2 29 10 10 PRO HG2 H 1.710 0.030 2 30 10 10 PRO HG3 H 1.997 0.030 2 31 10 10 PRO HD2 H 3.877 0.030 2 32 10 10 PRO HD3 H 3.608 0.030 2 33 10 10 PRO CB C 30.937 0.300 1 34 10 10 PRO CD C 50.661 0.300 1 35 11 11 PRO HA H 4.476 0.030 1 36 11 11 PRO HB2 H 2.241 0.030 2 37 11 11 PRO HB3 H 1.872 0.030 2 38 11 11 PRO HG2 H 1.987 0.030 1 39 11 11 PRO HG3 H 1.987 0.030 1 40 11 11 PRO HD2 H 3.825 0.030 2 41 11 11 PRO HD3 H 3.618 0.030 2 42 11 11 PRO C C 177.005 0.300 1 43 11 11 PRO CA C 63.166 0.300 1 44 11 11 PRO CB C 32.006 0.300 1 45 11 11 PRO CG C 27.380 0.300 1 46 11 11 PRO CD C 50.375 0.300 1 47 12 12 HIS H H 7.414 0.030 1 48 12 12 HIS HA H 4.492 0.030 1 49 12 12 HIS HB2 H 3.098 0.030 1 50 12 12 HIS HB3 H 3.098 0.030 1 51 12 12 HIS HD2 H 6.953 0.030 1 52 12 12 HIS HE1 H 7.798 0.030 1 53 12 12 HIS C C 176.048 0.300 1 54 12 12 HIS CA C 55.602 0.300 1 55 12 12 HIS CB C 31.559 0.300 1 56 12 12 HIS CD2 C 119.281 0.300 1 57 12 12 HIS CE1 C 138.624 0.300 1 58 12 12 HIS N N 117.032 0.300 1 59 13 13 GLY H H 8.130 0.030 1 60 13 13 GLY HA2 H 3.977 0.030 2 61 13 13 GLY HA3 H 3.656 0.030 2 62 13 13 GLY C C 175.476 0.300 1 63 13 13 GLY CA C 45.332 0.300 1 64 13 13 GLY N N 107.653 0.300 1 65 14 14 PHE H H 10.335 0.030 1 66 14 14 PHE HA H 4.911 0.030 1 67 14 14 PHE HB2 H 3.043 0.030 2 68 14 14 PHE HB3 H 2.832 0.030 2 69 14 14 PHE HD1 H 7.096 0.030 1 70 14 14 PHE HD2 H 7.096 0.030 1 71 14 14 PHE HE1 H 7.438 0.030 1 72 14 14 PHE HE2 H 7.438 0.030 1 73 14 14 PHE HZ H 7.259 0.030 1 74 14 14 PHE C C 175.440 0.300 1 75 14 14 PHE CA C 58.758 0.300 1 76 14 14 PHE CB C 39.513 0.300 1 77 14 14 PHE CD1 C 131.161 0.300 1 78 14 14 PHE CD2 C 131.161 0.300 1 79 14 14 PHE CE1 C 131.710 0.300 1 80 14 14 PHE CE2 C 131.710 0.300 1 81 14 14 PHE CZ C 130.097 0.300 1 82 14 14 PHE N N 123.171 0.300 1 83 15 15 GLN H H 7.695 0.030 1 84 15 15 GLN HA H 4.787 0.030 1 85 15 15 GLN HB2 H 2.240 0.030 2 86 15 15 GLN HB3 H 1.850 0.030 2 87 15 15 GLN HG2 H 2.412 0.030 1 88 15 15 GLN HG3 H 2.412 0.030 1 89 15 15 GLN HE21 H 7.473 0.030 2 90 15 15 GLN HE22 H 6.860 0.030 2 91 15 15 GLN C C 175.027 0.300 1 92 15 15 GLN CA C 53.149 0.300 1 93 15 15 GLN CB C 32.943 0.300 1 94 15 15 GLN CG C 33.396 0.300 1 95 15 15 GLN N N 118.683 0.300 1 96 15 15 GLN NE2 N 112.373 0.300 1 97 16 16 LYS H H 8.766 0.030 1 98 16 16 LYS HA H 3.693 0.030 1 99 16 16 LYS HB2 H 1.788 0.030 2 100 16 16 LYS HB3 H 1.756 0.030 2 101 16 16 LYS HG2 H 1.202 0.030 2 102 16 16 LYS HG3 H 1.617 0.030 2 103 16 16 LYS HD2 H 1.848 0.030 2 104 16 16 LYS HD3 H 1.785 0.030 2 105 16 16 LYS HE2 H 3.169 0.030 1 106 16 16 LYS HE3 H 3.169 0.030 1 107 16 16 LYS C C 177.191 0.300 1 108 16 16 LYS CA C 59.040 0.300 1 109 16 16 LYS CB C 32.862 0.300 1 110 16 16 LYS CG C 26.527 0.300 1 111 16 16 LYS CD C 29.853 0.300 1 112 16 16 LYS CE C 41.986 0.300 1 113 16 16 LYS N N 120.596 0.300 1 114 17 17 LYS H H 8.980 0.030 1 115 17 17 LYS HA H 3.603 0.030 1 116 17 17 LYS HB2 H 2.446 0.030 2 117 17 17 LYS HB3 H 2.027 0.030 2 118 17 17 LYS HG2 H 1.464 0.030 2 119 17 17 LYS HG3 H 1.388 0.030 2 120 17 17 LYS HD2 H 1.732 0.030 2 121 17 17 LYS HD3 H 1.694 0.030 2 122 17 17 LYS HE2 H 3.015 0.030 1 123 17 17 LYS HE3 H 3.015 0.030 1 124 17 17 LYS C C 176.267 0.300 1 125 17 17 LYS CA C 59.810 0.300 1 126 17 17 LYS CB C 30.365 0.300 1 127 17 17 LYS CG C 26.037 0.300 1 128 17 17 LYS CD C 29.209 0.300 1 129 17 17 LYS CE C 42.133 0.300 1 130 17 17 LYS N N 114.090 0.300 1 131 18 18 MET H H 7.728 0.030 1 132 18 18 MET HA H 4.384 0.030 1 133 18 18 MET HB2 H 2.234 0.030 2 134 18 18 MET HB3 H 2.295 0.030 2 135 18 18 MET HG2 H 2.876 0.030 2 136 18 18 MET HG3 H 2.749 0.030 2 137 18 18 MET HE H 2.351 0.030 1 138 18 18 MET C C 174.297 0.300 1 139 18 18 MET CA C 57.434 0.300 1 140 18 18 MET CB C 34.423 0.300 1 141 18 18 MET CG C 32.797 0.300 1 142 18 18 MET CE C 17.176 0.300 1 143 18 18 MET N N 119.915 0.300 1 144 19 19 LYS H H 8.432 0.030 1 145 19 19 LYS HA H 5.452 0.030 1 146 19 19 LYS HB2 H 1.795 0.030 2 147 19 19 LYS HB3 H 1.851 0.030 2 148 19 19 LYS HG2 H 1.609 0.030 1 149 19 19 LYS HG3 H 1.609 0.030 1 150 19 19 LYS HD2 H 1.726 0.030 2 151 19 19 LYS HD3 H 1.648 0.030 2 152 19 19 LYS HE2 H 2.986 0.030 2 153 19 19 LYS HE3 H 3.041 0.030 2 154 19 19 LYS C C 175.416 0.300 1 155 19 19 LYS CA C 54.384 0.300 1 156 19 19 LYS CB C 34.082 0.300 1 157 19 19 LYS CG C 25.062 0.300 1 158 19 19 LYS CD C 28.471 0.300 1 159 19 19 LYS CE C 42.133 0.300 1 160 19 19 LYS N N 120.784 0.300 1 161 20 20 LEU H H 8.834 0.030 1 162 20 20 LEU HA H 4.779 0.030 1 163 20 20 LEU HB2 H 1.475 0.030 2 164 20 20 LEU HB3 H 1.180 0.030 2 165 20 20 LEU HG H 1.291 0.030 1 166 20 20 LEU HD1 H 0.761 0.030 1 167 20 20 LEU HD2 H 0.242 0.030 1 168 20 20 LEU C C 175.039 0.300 1 169 20 20 LEU CA C 53.522 0.300 1 170 20 20 LEU CB C 48.461 0.300 1 171 20 20 LEU CG C 26.727 0.300 1 172 20 20 LEU CD1 C 23.197 0.300 2 173 20 20 LEU CD2 C 26.029 0.300 2 174 20 20 LEU N N 119.585 0.300 1 175 21 21 GLU H H 8.683 0.030 1 176 21 21 GLU HA H 4.851 0.030 1 177 21 21 GLU HB2 H 1.709 0.030 2 178 21 21 GLU HB3 H 1.874 0.030 2 179 21 21 GLU HG2 H 2.313 0.030 2 180 21 21 GLU HG3 H 2.223 0.030 2 181 21 21 GLU C C 175.233 0.300 1 182 21 21 GLU CA C 55.290 0.300 1 183 21 21 GLU CB C 30.814 0.300 1 184 21 21 GLU CG C 37.151 0.300 1 185 21 21 GLU N N 121.028 0.300 1 186 22 22 VAL H H 8.894 0.030 1 187 22 22 VAL HA H 4.985 0.030 1 188 22 22 VAL HB H 1.850 0.030 1 189 22 22 VAL HG1 H 0.873 0.030 1 190 22 22 VAL HG2 H 0.696 0.030 1 191 22 22 VAL C C 175.404 0.300 1 192 22 22 VAL CA C 59.994 0.300 1 193 22 22 VAL CB C 35.982 0.300 1 194 22 22 VAL CG1 C 21.567 0.300 2 195 22 22 VAL CG2 C 23.095 0.300 2 196 22 22 VAL N N 121.877 0.300 1 197 23 23 VAL H H 8.433 0.030 1 198 23 23 VAL HA H 4.047 0.030 1 199 23 23 VAL HB H 1.899 0.030 1 200 23 23 VAL HG1 H 0.987 0.030 1 201 23 23 VAL HG2 H 1.049 0.030 1 202 23 23 VAL C C 174.885 0.300 1 203 23 23 VAL CA C 62.778 0.300 1 204 23 23 VAL CB C 32.984 0.300 1 205 23 23 VAL CG1 C 21.540 0.300 2 206 23 23 VAL CG2 C 22.055 0.300 2 207 23 23 VAL N N 128.036 0.300 1 208 24 24 ASP H H 8.361 0.030 1 209 24 24 ASP HA H 4.419 0.030 1 210 24 24 ASP HB2 H 3.440 0.030 2 211 24 24 ASP HB3 H 2.155 0.030 2 212 24 24 ASP C C 176.924 0.300 1 213 24 24 ASP CA C 54.260 0.300 1 214 24 24 ASP CB C 42.717 0.300 1 215 24 24 ASP N N 127.834 0.300 1 216 25 25 LYS H H 7.915 0.030 1 217 25 25 LYS HA H 4.047 0.030 1 218 25 25 LYS HB2 H 1.667 0.030 2 219 25 25 LYS HB3 H 1.791 0.030 2 220 25 25 LYS HG2 H 1.246 0.030 1 221 25 25 LYS HG3 H 1.246 0.030 1 222 25 25 LYS HD2 H 1.424 0.030 2 223 25 25 LYS HD3 H 1.354 0.030 2 224 25 25 LYS HE2 H 2.699 0.030 2 225 25 25 LYS HE3 H 2.517 0.030 2 226 25 25 LYS C C 177.800 0.300 1 227 25 25 LYS CA C 58.476 0.300 1 228 25 25 LYS CB C 32.581 0.300 1 229 25 25 LYS CG C 24.413 0.300 1 230 25 25 LYS CD C 29.493 0.300 1 231 25 25 LYS CE C 41.858 0.300 1 232 25 25 LYS N N 125.436 0.300 1 233 26 26 ARG H H 8.375 0.030 1 234 26 26 ARG HA H 4.182 0.030 1 235 26 26 ARG HB2 H 1.872 0.030 1 236 26 26 ARG HB3 H 1.872 0.030 1 237 26 26 ARG HG2 H 1.610 0.030 1 238 26 26 ARG HG3 H 1.610 0.030 1 239 26 26 ARG HD2 H 3.262 0.030 1 240 26 26 ARG HD3 H 3.262 0.030 1 241 26 26 ARG C C 177.204 0.300 1 242 26 26 ARG CA C 57.224 0.300 1 243 26 26 ARG CB C 30.392 0.300 1 244 26 26 ARG CG C 28.142 0.300 1 245 26 26 ARG CD C 43.300 0.300 1 246 26 26 ARG N N 116.864 0.300 1 247 27 27 ASN H H 7.604 0.030 1 248 27 27 ASN HA H 4.888 0.030 1 249 27 27 ASN HB2 H 2.656 0.030 2 250 27 27 ASN HB3 H 2.866 0.030 2 251 27 27 ASN HD21 H 6.771 0.030 2 252 27 27 ASN HD22 H 7.484 0.030 2 253 27 27 ASN C C 172.448 0.300 1 254 27 27 ASN CA C 51.050 0.300 1 255 27 27 ASN CB C 39.229 0.300 1 256 27 27 ASN N N 114.717 0.300 1 257 27 27 ASN ND2 N 112.362 0.300 1 258 28 28 PRO HA H 4.621 0.030 1 259 28 28 PRO HB2 H 2.229 0.030 2 260 28 28 PRO HB3 H 2.012 0.030 2 261 28 28 PRO HG2 H 1.894 0.030 2 262 28 28 PRO HG3 H 1.986 0.030 2 263 28 28 PRO HD2 H 3.492 0.030 2 264 28 28 PRO HD3 H 3.738 0.030 2 265 28 28 PRO C C 176.323 0.300 1 266 28 28 PRO CA C 64.481 0.300 1 267 28 28 PRO CB C 31.749 0.300 1 268 28 28 PRO CG C 26.846 0.300 1 269 28 28 PRO CD C 50.666 0.300 1 270 29 29 MET H H 7.585 0.030 1 271 29 29 MET HA H 4.466 0.030 1 272 29 29 MET HB2 H 1.794 0.030 2 273 29 29 MET HB3 H 1.882 0.030 2 274 29 29 MET HG2 H 2.237 0.030 2 275 29 29 MET HG3 H 2.379 0.030 2 276 29 29 MET HE H 2.037 0.030 1 277 29 29 MET C C 176.365 0.300 1 278 29 29 MET CA C 56.219 0.300 1 279 29 29 MET CB C 31.772 0.300 1 280 29 29 MET CG C 32.007 0.300 1 281 29 29 MET CE C 16.836 0.300 1 282 29 29 MET N N 115.584 0.300 1 283 30 30 PHE H H 8.563 0.030 1 284 30 30 PHE HA H 5.051 0.030 1 285 30 30 PHE HB2 H 3.181 0.030 2 286 30 30 PHE HB3 H 2.955 0.030 2 287 30 30 PHE HD1 H 7.167 0.030 1 288 30 30 PHE HD2 H 7.167 0.030 1 289 30 30 PHE HE1 H 7.275 0.030 1 290 30 30 PHE HE2 H 7.275 0.030 1 291 30 30 PHE HZ H 7.231 0.030 1 292 30 30 PHE C C 173.300 0.300 1 293 30 30 PHE CA C 55.620 0.300 1 294 30 30 PHE CB C 40.114 0.300 1 295 30 30 PHE CD1 C 130.849 0.300 1 296 30 30 PHE CD2 C 130.849 0.300 1 297 30 30 PHE CE1 C 131.431 0.300 1 298 30 30 PHE CE2 C 131.431 0.300 1 299 30 30 PHE CZ C 129.688 0.300 1 300 30 30 PHE N N 121.107 0.300 1 301 31 31 ILE H H 8.741 0.030 1 302 31 31 ILE HA H 4.613 0.030 1 303 31 31 ILE HB H 1.877 0.030 1 304 31 31 ILE HG12 H 0.989 0.030 2 305 31 31 ILE HG13 H 1.524 0.030 2 306 31 31 ILE HG2 H 0.708 0.030 1 307 31 31 ILE HD1 H 0.676 0.030 1 308 31 31 ILE C C 174.516 0.300 1 309 31 31 ILE CA C 60.303 0.300 1 310 31 31 ILE CB C 39.125 0.300 1 311 31 31 ILE CG1 C 28.743 0.300 1 312 31 31 ILE CG2 C 18.797 0.300 1 313 31 31 ILE CD1 C 13.786 0.300 1 314 31 31 ILE N N 124.295 0.300 1 315 32 32 ARG H H 8.546 0.030 1 316 32 32 ARG HA H 4.916 0.030 1 317 32 32 ARG HB2 H 1.361 0.030 2 318 32 32 ARG HB3 H 1.601 0.030 2 319 32 32 ARG HG2 H 0.981 0.030 2 320 32 32 ARG HG3 H 1.446 0.030 2 321 32 32 ARG HD2 H 2.385 0.030 2 322 32 32 ARG HD3 H 1.482 0.030 2 323 32 32 ARG C C 175.318 0.300 1 324 32 32 ARG CA C 54.205 0.300 1 325 32 32 ARG CB C 35.085 0.300 1 326 32 32 ARG CG C 27.655 0.300 1 327 32 32 ARG CD C 42.069 0.300 1 328 32 32 ARG N N 123.999 0.300 1 329 33 33 VAL H H 8.563 0.030 1 330 33 33 VAL HA H 4.503 0.030 1 331 33 33 VAL HB H 2.054 0.030 1 332 33 33 VAL HG1 H 1.097 0.030 1 333 33 33 VAL HG2 H 1.236 0.030 1 334 33 33 VAL C C 175.246 0.300 1 335 33 33 VAL CA C 63.872 0.300 1 336 33 33 VAL CB C 32.029 0.300 1 337 33 33 VAL CG1 C 21.773 0.300 2 338 33 33 VAL CG2 C 23.315 0.300 2 339 33 33 VAL N N 121.253 0.300 1 340 34 34 ALA H H 9.215 0.030 1 341 34 34 ALA HA H 5.216 0.030 1 342 34 34 ALA HB H 0.883 0.030 1 343 34 34 ALA C C 175.392 0.300 1 344 34 34 ALA CA C 49.829 0.300 1 345 34 34 ALA CB C 24.165 0.300 1 346 34 34 ALA N N 131.279 0.300 1 347 35 35 THR H H 9.196 0.030 1 348 35 35 THR HA H 4.968 0.030 1 349 35 35 THR HB H 3.771 0.030 1 350 35 35 THR HG2 H 1.072 0.030 1 351 35 35 THR C C 174.613 0.300 1 352 35 35 THR CA C 61.382 0.300 1 353 35 35 THR CB C 71.598 0.300 1 354 35 35 THR CG2 C 22.067 0.300 1 355 35 35 THR N N 114.854 0.300 1 356 36 36 VAL H H 8.836 0.030 1 357 36 36 VAL HA H 3.770 0.030 1 358 36 36 VAL HB H 2.283 0.030 1 359 36 36 VAL HG1 H 0.626 0.030 1 360 36 36 VAL HG2 H 0.743 0.030 1 361 36 36 VAL C C 175.148 0.300 1 362 36 36 VAL CA C 63.748 0.300 1 363 36 36 VAL CB C 31.006 0.300 1 364 36 36 VAL CG1 C 23.297 0.300 2 365 36 36 VAL CG2 C 22.803 0.300 2 366 36 36 VAL N N 124.485 0.300 1 367 37 37 ALA H H 9.134 0.030 1 368 37 37 ALA HA H 4.327 0.030 1 369 37 37 ALA HB H 1.023 0.030 1 370 37 37 ALA C C 176.608 0.300 1 371 37 37 ALA CA C 52.640 0.300 1 372 37 37 ALA CB C 19.912 0.300 1 373 37 37 ALA N N 135.227 0.300 1 374 38 38 ASP H H 7.668 0.030 1 375 38 38 ASP HA H 4.692 0.030 1 376 38 38 ASP HB2 H 2.489 0.030 2 377 38 38 ASP HB3 H 2.217 0.030 2 378 38 38 ASP C C 173.677 0.300 1 379 38 38 ASP CA C 52.569 0.300 1 380 38 38 ASP CB C 42.908 0.300 1 381 38 38 ASP N N 114.132 0.300 1 382 39 39 THR H H 9.353 0.030 1 383 39 39 THR HA H 5.221 0.030 1 384 39 39 THR HB H 4.636 0.030 1 385 39 39 THR HG2 H 1.154 0.030 1 386 39 39 THR C C 172.837 0.300 1 387 39 39 THR CA C 61.076 0.300 1 388 39 39 THR CB C 72.615 0.300 1 389 39 39 THR CG2 C 22.631 0.300 1 390 39 39 THR N N 111.211 0.300 1 391 40 40 ASP H H 8.824 0.030 1 392 40 40 ASP HA H 4.828 0.030 1 393 40 40 ASP HB2 H 2.712 0.030 2 394 40 40 ASP HB3 H 3.232 0.030 2 395 40 40 ASP C C 176.133 0.300 1 396 40 40 ASP CA C 53.733 0.300 1 397 40 40 ASP CB C 41.618 0.300 1 398 40 40 ASP N N 121.492 0.300 1 399 41 41 ASP H H 8.422 0.030 1 400 41 41 ASP HA H 4.364 0.030 1 401 41 41 ASP HB2 H 2.486 0.030 1 402 41 41 ASP HB3 H 2.486 0.030 1 403 41 41 ASP C C 176.694 0.300 1 404 41 41 ASP CA C 57.606 0.300 1 405 41 41 ASP CB C 40.284 0.300 1 406 41 41 ASP N N 116.014 0.300 1 407 42 42 HIS H H 8.606 0.030 1 408 42 42 HIS HA H 5.190 0.030 1 409 42 42 HIS HB2 H 3.351 0.030 2 410 42 42 HIS HB3 H 3.188 0.030 2 411 42 42 HIS HD2 H 7.130 0.030 1 412 42 42 HIS C C 174.418 0.300 1 413 42 42 HIS CA C 56.291 0.300 1 414 42 42 HIS CB C 32.537 0.300 1 415 42 42 HIS CD2 C 121.460 0.300 1 416 42 42 HIS N N 113.390 0.300 1 417 43 43 ARG H H 8.700 0.030 1 418 43 43 ARG HA H 5.252 0.030 1 419 43 43 ARG HB2 H 2.152 0.030 2 420 43 43 ARG HB3 H 1.873 0.030 2 421 43 43 ARG HG2 H 1.669 0.030 2 422 43 43 ARG HG3 H 1.380 0.030 2 423 43 43 ARG HD2 H 3.137 0.030 2 424 43 43 ARG HD3 H 2.849 0.030 2 425 43 43 ARG HE H 7.177 0.030 1 426 43 43 ARG C C 174.528 0.300 1 427 43 43 ARG CA C 55.408 0.300 1 428 43 43 ARG CB C 36.822 0.300 1 429 43 43 ARG CG C 25.732 0.300 1 430 43 43 ARG CD C 44.214 0.300 1 431 43 43 ARG N N 120.398 0.300 1 432 43 43 ARG NE N 83.388 0.300 1 433 44 44 VAL H H 9.044 0.030 1 434 44 44 VAL HA H 4.581 0.030 1 435 44 44 VAL HB H 1.600 0.030 1 436 44 44 VAL HG1 H 0.490 0.030 1 437 44 44 VAL HG2 H 0.321 0.030 1 438 44 44 VAL C C 171.959 0.300 1 439 44 44 VAL CA C 59.500 0.300 1 440 44 44 VAL CB C 35.251 0.300 1 441 44 44 VAL CG1 C 22.558 0.300 2 442 44 44 VAL CG2 C 19.881 0.300 2 443 44 44 VAL N N 113.469 0.300 1 444 45 45 LYS H H 8.065 0.030 1 445 45 45 LYS HA H 4.066 0.030 1 446 45 45 LYS HB2 H 0.649 0.030 2 447 45 45 LYS HB3 H -1.404 0.030 2 448 45 45 LYS HG2 H -0.404 0.030 2 449 45 45 LYS HG3 H 0.283 0.030 2 450 45 45 LYS HD2 H 0.995 0.030 1 451 45 45 LYS HD3 H 0.995 0.030 1 452 45 45 LYS HE2 H 2.520 0.030 2 453 45 45 LYS HE3 H 2.407 0.030 2 454 45 45 LYS C C 175.392 0.300 1 455 45 45 LYS CA C 53.874 0.300 1 456 45 45 LYS CB C 32.558 0.300 1 457 45 45 LYS CG C 25.238 0.300 1 458 45 45 LYS CD C 29.522 0.300 1 459 45 45 LYS CE C 42.181 0.300 1 460 45 45 LYS N N 127.682 0.300 1 461 46 46 VAL H H 8.513 0.030 1 462 46 46 VAL HA H 4.041 0.030 1 463 46 46 VAL HB H 1.049 0.030 1 464 46 46 VAL HG1 H 0.170 0.030 1 465 46 46 VAL HG2 H 0.087 0.030 1 466 46 46 VAL C C 172.789 0.300 1 467 46 46 VAL CA C 60.472 0.300 1 468 46 46 VAL CB C 33.266 0.300 1 469 46 46 VAL CG1 C 21.865 0.300 2 470 46 46 VAL CG2 C 18.754 0.300 2 471 46 46 VAL N N 122.978 0.300 1 472 47 47 HIS H H 8.128 0.030 1 473 47 47 HIS HA H 4.773 0.030 1 474 47 47 HIS HB2 H 2.765 0.030 2 475 47 47 HIS HB3 H 2.922 0.030 2 476 47 47 HIS HD2 H 7.026 0.030 1 477 47 47 HIS C C 173.688 0.300 1 478 47 47 HIS CA C 53.222 0.300 1 479 47 47 HIS CB C 31.423 0.300 1 480 47 47 HIS CD2 C 119.387 0.300 1 481 47 47 HIS N N 119.268 0.300 1 482 48 48 PHE H H 8.345 0.030 1 483 48 48 PHE HA H 4.557 0.030 1 484 48 48 PHE HB2 H 2.394 0.030 2 485 48 48 PHE HB3 H 2.094 0.030 2 486 48 48 PHE HD1 H 6.563 0.030 1 487 48 48 PHE HD2 H 6.563 0.030 1 488 48 48 PHE HE1 H 7.011 0.030 1 489 48 48 PHE HE2 H 7.011 0.030 1 490 48 48 PHE HZ H 7.171 0.030 1 491 48 48 PHE C C 174.699 0.300 1 492 48 48 PHE CA C 56.567 0.300 1 493 48 48 PHE CB C 37.590 0.300 1 494 48 48 PHE CD1 C 130.974 0.300 1 495 48 48 PHE CD2 C 130.974 0.300 1 496 48 48 PHE CE1 C 131.052 0.300 1 497 48 48 PHE CE2 C 131.052 0.300 1 498 48 48 PHE CZ C 129.441 0.300 1 499 48 48 PHE N N 127.064 0.300 1 500 49 49 ASP H H 8.055 0.030 1 501 49 49 ASP HA H 4.295 0.030 1 502 49 49 ASP HB2 H 2.642 0.030 2 503 49 49 ASP HB3 H 2.494 0.030 2 504 49 49 ASP C C 177.523 0.300 1 505 49 49 ASP CA C 56.713 0.300 1 506 49 49 ASP CB C 39.935 0.300 1 507 49 49 ASP N N 125.186 0.300 1 508 50 50 GLY HA2 H 4.413 0.030 2 509 50 50 GLY HA3 H 3.740 0.030 2 510 50 50 GLY C C 174.398 0.300 1 511 50 50 GLY CA C 45.428 0.300 1 512 51 51 TRP H H 8.538 0.030 1 513 51 51 TRP HA H 4.775 0.030 1 514 51 51 TRP HB2 H 3.399 0.030 2 515 51 51 TRP HB3 H 3.460 0.030 2 516 51 51 TRP HD1 H 7.017 0.030 1 517 51 51 TRP HE1 H 9.999 0.030 1 518 51 51 TRP HE3 H 7.217 0.030 1 519 51 51 TRP HZ2 H 7.180 0.030 1 520 51 51 TRP HZ3 H 6.733 0.030 1 521 51 51 TRP HH2 H 7.040 0.030 1 522 51 51 TRP C C 176.547 0.300 1 523 51 51 TRP CA C 56.304 0.300 1 524 51 51 TRP CB C 30.011 0.300 1 525 51 51 TRP CD1 C 126.610 0.300 1 526 51 51 TRP CE3 C 120.922 0.300 1 527 51 51 TRP CZ2 C 113.953 0.300 1 528 51 51 TRP CZ3 C 121.323 0.300 1 529 51 51 TRP CH2 C 124.251 0.300 1 530 51 51 TRP N N 121.776 0.300 1 531 51 51 TRP NE1 N 128.950 0.300 1 532 52 52 ASN H H 8.930 0.030 1 533 52 52 ASN HA H 4.785 0.030 1 534 52 52 ASN HB2 H 3.212 0.030 2 535 52 52 ASN HB3 H 3.101 0.030 2 536 52 52 ASN HD21 H 7.157 0.030 2 537 52 52 ASN HD22 H 7.891 0.030 2 538 52 52 ASN C C 176.552 0.300 1 539 52 52 ASN CA C 54.421 0.300 1 540 52 52 ASN CB C 39.733 0.300 1 541 52 52 ASN N N 120.105 0.300 1 542 52 52 ASN ND2 N 114.143 0.300 1 543 53 53 ASN HA H 4.890 0.030 1 544 53 53 ASN HB2 H 2.878 0.030 1 545 53 53 ASN HB3 H 2.878 0.030 1 546 53 53 ASN HD21 H 6.785 0.030 2 547 53 53 ASN HD22 H 7.748 0.030 2 548 53 53 ASN C C 177.371 0.300 1 549 53 53 ASN CA C 55.310 0.300 1 550 53 53 ASN CB C 38.082 0.300 1 551 53 53 ASN ND2 N 111.655 0.300 1 552 54 54 CYS H H 9.086 0.030 1 553 54 54 CYS HA H 4.478 0.030 1 554 54 54 CYS HB2 H 3.062 0.030 2 555 54 54 CYS HB3 H 2.730 0.030 2 556 54 54 CYS C C 175.318 0.300 1 557 54 54 CYS CA C 60.073 0.300 1 558 54 54 CYS CB C 26.680 0.300 1 559 54 54 CYS N N 119.380 0.300 1 560 55 55 TYR H H 8.005 0.030 1 561 55 55 TYR HA H 4.687 0.030 1 562 55 55 TYR HB2 H 3.501 0.030 2 563 55 55 TYR HB3 H 3.338 0.030 2 564 55 55 TYR HD1 H 7.540 0.030 1 565 55 55 TYR HD2 H 7.540 0.030 1 566 55 55 TYR HE1 H 6.973 0.030 1 567 55 55 TYR HE2 H 6.973 0.030 1 568 55 55 TYR C C 175.270 0.300 1 569 55 55 TYR CA C 59.122 0.300 1 570 55 55 TYR CB C 38.387 0.300 1 571 55 55 TYR CD1 C 133.776 0.300 1 572 55 55 TYR CD2 C 133.776 0.300 1 573 55 55 TYR CE1 C 118.642 0.300 1 574 55 55 TYR CE2 C 118.642 0.300 1 575 55 55 TYR N N 120.440 0.300 1 576 56 56 ASP H H 7.817 0.030 1 577 56 56 ASP HA H 4.773 0.030 1 578 56 56 ASP HB2 H 2.675 0.030 2 579 56 56 ASP HB3 H 2.272 0.030 2 580 56 56 ASP C C 176.620 0.300 1 581 56 56 ASP CA C 55.284 0.300 1 582 56 56 ASP CB C 41.046 0.300 1 583 56 56 ASP N N 122.221 0.300 1 584 57 57 TYR H H 7.540 0.030 1 585 57 57 TYR HA H 4.956 0.030 1 586 57 57 TYR HB2 H 3.171 0.030 1 587 57 57 TYR HB3 H 3.171 0.030 1 588 57 57 TYR HD1 H 7.155 0.030 1 589 57 57 TYR HD2 H 7.155 0.030 1 590 57 57 TYR HE1 H 6.689 0.030 1 591 57 57 TYR HE2 H 6.689 0.030 1 592 57 57 TYR C C 172.655 0.300 1 593 57 57 TYR CA C 56.270 0.300 1 594 57 57 TYR CB C 40.156 0.300 1 595 57 57 TYR CD1 C 134.237 0.300 1 596 57 57 TYR CD2 C 134.237 0.300 1 597 57 57 TYR CE1 C 117.792 0.300 1 598 57 57 TYR CE2 C 117.792 0.300 1 599 57 57 TYR N N 115.192 0.300 1 600 58 58 TRP H H 8.741 0.030 1 601 58 58 TRP HA H 5.177 0.030 1 602 58 58 TRP HB2 H 3.086 0.030 2 603 58 58 TRP HB3 H 2.862 0.030 2 604 58 58 TRP HD1 H 7.354 0.030 1 605 58 58 TRP HE1 H 10.179 0.030 1 606 58 58 TRP HE3 H 7.108 0.030 1 607 58 58 TRP HZ2 H 7.424 0.030 1 608 58 58 TRP HZ3 H 6.495 0.030 1 609 58 58 TRP HH2 H 6.750 0.030 1 610 58 58 TRP C C 176.365 0.300 1 611 58 58 TRP CA C 56.872 0.300 1 612 58 58 TRP CB C 31.628 0.300 1 613 58 58 TRP CD1 C 127.669 0.300 1 614 58 58 TRP CE3 C 120.894 0.300 1 615 58 58 TRP CZ2 C 114.444 0.300 1 616 58 58 TRP CZ3 C 120.948 0.300 1 617 58 58 TRP CH2 C 123.598 0.300 1 618 58 58 TRP N N 120.443 0.300 1 619 58 58 TRP NE1 N 129.007 0.300 1 620 59 59 ILE H H 9.585 0.030 1 621 59 59 ILE HA H 4.619 0.030 1 622 59 59 ILE HB H 1.702 0.030 1 623 59 59 ILE HG12 H 1.248 0.030 2 624 59 59 ILE HG13 H 1.595 0.030 2 625 59 59 ILE HG2 H 1.006 0.030 1 626 59 59 ILE HD1 H 0.846 0.030 1 627 59 59 ILE C C 173.923 0.300 1 628 59 59 ILE CA C 60.134 0.300 1 629 59 59 ILE CB C 42.834 0.300 1 630 59 59 ILE CG1 C 27.656 0.300 1 631 59 59 ILE CG2 C 17.311 0.300 1 632 59 59 ILE CD1 C 15.216 0.300 1 633 59 59 ILE N N 121.671 0.300 1 634 60 60 ASP H H 8.484 0.030 1 635 60 60 ASP HA H 4.628 0.030 1 636 60 60 ASP HB2 H 2.924 0.030 2 637 60 60 ASP HB3 H 2.618 0.030 2 638 60 60 ASP C C 177.119 0.300 1 639 60 60 ASP CA C 55.902 0.300 1 640 60 60 ASP CB C 41.226 0.300 1 641 60 60 ASP N N 126.256 0.300 1 642 61 61 ALA H H 8.838 0.030 1 643 61 61 ALA HA H 3.773 0.030 1 644 61 61 ALA HB H 1.108 0.030 1 645 61 61 ALA C C 176.779 0.300 1 646 61 61 ALA CA C 54.350 0.300 1 647 61 61 ALA CB C 18.417 0.300 1 648 61 61 ALA N N 123.303 0.300 1 649 62 62 ASP H H 8.228 0.030 1 650 62 62 ASP HA H 4.676 0.030 1 651 62 62 ASP HB2 H 2.953 0.030 2 652 62 62 ASP HB3 H 2.655 0.030 2 653 62 62 ASP C C 176.328 0.300 1 654 62 62 ASP CA C 52.710 0.300 1 655 62 62 ASP CB C 39.838 0.300 1 656 62 62 ASP N N 114.676 0.300 1 657 63 63 SER H H 7.596 0.030 1 658 63 63 SER HA H 4.639 0.030 1 659 63 63 SER HB2 H 3.682 0.030 2 660 63 63 SER HB3 H 4.357 0.030 2 661 63 63 SER C C 175.702 0.300 1 662 63 63 SER CA C 56.290 0.300 1 663 63 63 SER CB C 65.128 0.300 1 664 63 63 SER N N 115.322 0.300 1 665 64 64 PRO HA H 4.537 0.030 1 666 64 64 PRO HB2 H 2.055 0.030 2 667 64 64 PRO HB3 H 2.306 0.030 2 668 64 64 PRO HG2 H 1.921 0.030 2 669 64 64 PRO HG3 H 2.055 0.030 2 670 64 64 PRO HD2 H 3.898 0.030 1 671 64 64 PRO HD3 H 3.898 0.030 1 672 64 64 PRO C C 175.665 0.300 1 673 64 64 PRO CA C 63.448 0.300 1 674 64 64 PRO CB C 31.831 0.300 1 675 64 64 PRO CG C 26.905 0.300 1 676 64 64 PRO CD C 51.373 0.300 1 677 65 65 ASP H H 8.057 0.030 1 678 65 65 ASP HA H 4.253 0.030 1 679 65 65 ASP HB2 H 3.013 0.030 2 680 65 65 ASP HB3 H 2.486 0.030 2 681 65 65 ASP C C 174.467 0.300 1 682 65 65 ASP CA C 54.985 0.300 1 683 65 65 ASP CB C 41.139 0.300 1 684 65 65 ASP N N 117.577 0.300 1 685 66 66 ILE H H 6.670 0.030 1 686 66 66 ILE HA H 3.960 0.030 1 687 66 66 ILE HB H 1.612 0.030 1 688 66 66 ILE HG12 H 0.561 0.030 2 689 66 66 ILE HG13 H 1.387 0.030 2 690 66 66 ILE HG2 H 0.634 0.030 1 691 66 66 ILE HD1 H 0.534 0.030 1 692 66 66 ILE C C 173.847 0.300 1 693 66 66 ILE CA C 61.259 0.300 1 694 66 66 ILE CB C 39.366 0.300 1 695 66 66 ILE CG1 C 27.486 0.300 1 696 66 66 ILE CG2 C 19.450 0.300 1 697 66 66 ILE CD1 C 13.713 0.300 1 698 66 66 ILE N N 115.063 0.300 1 699 67 67 HIS H H 8.511 0.030 1 700 67 67 HIS HA H 4.953 0.030 1 701 67 67 HIS HB2 H 2.886 0.030 2 702 67 67 HIS HB3 H 2.699 0.030 2 703 67 67 HIS HD2 H 5.842 0.030 1 704 67 67 HIS HE1 H 7.865 0.030 1 705 67 67 HIS C C 170.821 0.300 1 706 67 67 HIS CA C 51.821 0.300 1 707 67 67 HIS CB C 29.575 0.300 1 708 67 67 HIS CD2 C 118.297 0.300 1 709 67 67 HIS CE1 C 136.364 0.300 1 710 67 67 HIS N N 123.419 0.300 1 711 68 68 PRO HA H 4.864 0.030 1 712 68 68 PRO HB2 H 2.440 0.030 2 713 68 68 PRO HB3 H 2.064 0.030 2 714 68 68 PRO HG2 H 2.196 0.030 1 715 68 68 PRO HG3 H 2.196 0.030 1 716 68 68 PRO HD2 H 3.766 0.030 2 717 68 68 PRO HD3 H 3.912 0.030 2 718 68 68 PRO C C 176.250 0.300 1 719 68 68 PRO CA C 61.932 0.300 1 720 68 68 PRO CB C 32.161 0.300 1 721 68 68 PRO CG C 27.628 0.300 1 722 68 68 PRO CD C 50.532 0.300 1 723 69 69 VAL H H 8.358 0.030 1 724 69 69 VAL HA H 3.944 0.030 1 725 69 69 VAL HB H 2.021 0.030 1 726 69 69 VAL HG1 H 1.043 0.030 1 727 69 69 VAL HG2 H 1.079 0.030 1 728 69 69 VAL C C 177.921 0.300 1 729 69 69 VAL CA C 64.595 0.300 1 730 69 69 VAL CB C 31.750 0.300 1 731 69 69 VAL CG1 C 21.361 0.300 2 732 69 69 VAL CG2 C 22.079 0.300 2 733 69 69 VAL N N 117.535 0.300 1 734 70 70 GLY H H 9.442 0.030 1 735 70 70 GLY HA2 H 4.505 0.030 2 736 70 70 GLY HA3 H 3.895 0.030 2 737 70 70 GLY C C 174.959 0.300 1 738 70 70 GLY CA C 45.033 0.300 1 739 70 70 GLY N N 117.931 0.300 1 740 71 71 TRP H H 8.299 0.030 1 741 71 71 TRP HA H 4.127 0.030 1 742 71 71 TRP HB2 H 3.436 0.030 2 743 71 71 TRP HB3 H 3.542 0.030 2 744 71 71 TRP HD1 H 7.327 0.030 1 745 71 71 TRP HE1 H 10.081 0.030 1 746 71 71 TRP HE3 H 7.445 0.030 1 747 71 71 TRP HZ2 H 7.178 0.030 1 748 71 71 TRP HZ3 H 6.456 0.030 1 749 71 71 TRP HH2 H 6.650 0.030 1 750 71 71 TRP C C 179.527 0.300 1 751 71 71 TRP CA C 62.885 0.300 1 752 71 71 TRP CB C 29.871 0.300 1 753 71 71 TRP CD1 C 126.470 0.300 1 754 71 71 TRP CE3 C 120.499 0.300 1 755 71 71 TRP CZ2 C 113.977 0.300 1 756 71 71 TRP CZ3 C 121.571 0.300 1 757 71 71 TRP CH2 C 123.880 0.300 1 758 71 71 TRP N N 126.449 0.300 1 759 71 71 TRP NE1 N 129.768 0.300 1 760 72 72 CYS H H 11.329 0.030 1 761 72 72 CYS HA H 3.696 0.030 1 762 72 72 CYS HB2 H 3.063 0.030 2 763 72 72 CYS HB3 H 3.217 0.030 2 764 72 72 CYS C C 177.775 0.300 1 765 72 72 CYS CA C 66.084 0.300 1 766 72 72 CYS CB C 26.169 0.300 1 767 72 72 CYS N N 123.937 0.300 1 768 73 73 SER H H 8.825 0.030 1 769 73 73 SER HA H 4.124 0.030 1 770 73 73 SER HB2 H 3.916 0.030 2 771 73 73 SER C C 176.949 0.300 1 772 73 73 SER CA C 60.983 0.300 1 773 73 73 SER CB C 62.959 0.300 1 774 73 73 SER N N 115.623 0.300 1 775 74 74 LYS H H 7.866 0.030 1 776 74 74 LYS HA H 4.123 0.030 1 777 74 74 LYS HB2 H 1.855 0.030 1 778 74 74 LYS HB3 H 1.855 0.030 1 779 74 74 LYS HG2 H 1.406 0.030 2 780 74 74 LYS HG3 H 1.503 0.030 2 781 74 74 LYS HD2 H 1.669 0.030 1 782 74 74 LYS HD3 H 1.669 0.030 1 783 74 74 LYS HE2 H 2.984 0.030 2 784 74 74 LYS C C 178.360 0.300 1 785 74 74 LYS CA C 58.529 0.300 1 786 74 74 LYS CB C 32.903 0.300 1 787 74 74 LYS CG C 25.074 0.300 1 788 74 74 LYS CD C 29.216 0.300 1 789 74 74 LYS CE C 42.298 0.300 1 790 74 74 LYS N N 120.251 0.300 1 791 75 75 THR H H 7.809 0.030 1 792 75 75 THR HA H 4.106 0.030 1 793 75 75 THR HB H 3.852 0.030 1 794 75 75 THR HG2 H 0.510 0.030 1 795 75 75 THR C C 175.635 0.300 1 796 75 75 THR CA C 62.196 0.300 1 797 75 75 THR CB C 70.515 0.300 1 798 75 75 THR CG2 C 19.994 0.300 1 799 75 75 THR N N 107.689 0.300 1 800 76 76 GLY H H 7.891 0.030 1 801 76 76 GLY HA2 H 3.989 0.030 2 802 76 76 GLY HA3 H 3.730 0.030 2 803 76 76 GLY C C 174.236 0.300 1 804 76 76 GLY CA C 45.833 0.300 1 805 76 76 GLY N N 111.239 0.300 1 806 77 77 HIS H H 7.805 0.030 1 807 77 77 HIS HA H 4.688 0.030 1 808 77 77 HIS HB2 H 2.757 0.030 2 809 77 77 HIS HB3 H 3.056 0.030 2 810 77 77 HIS HD2 H 7.119 0.030 1 811 77 77 HIS HE1 H 8.038 0.030 1 812 77 77 HIS C C 173.371 0.300 1 813 77 77 HIS CA C 54.847 0.300 1 814 77 77 HIS CB C 30.905 0.300 1 815 77 77 HIS CD2 C 123.880 0.300 1 816 77 77 HIS CE1 C 138.358 0.300 1 817 77 77 HIS N N 121.556 0.300 1 818 78 78 PRO HA H 4.419 0.030 1 819 78 78 PRO HB2 H 2.240 0.030 2 820 78 78 PRO HB3 H 1.887 0.030 2 821 78 78 PRO HG2 H 2.160 0.030 2 822 78 78 PRO HG3 H 2.024 0.030 2 823 78 78 PRO HD2 H 3.346 0.030 2 824 78 78 PRO HD3 H 3.774 0.030 2 825 78 78 PRO C C 176.201 0.300 1 826 78 78 PRO CA C 63.131 0.300 1 827 78 78 PRO CB C 32.031 0.300 1 828 78 78 PRO CG C 27.545 0.300 1 829 78 78 PRO CD C 50.480 0.300 1 830 79 79 LEU H H 8.518 0.030 1 831 79 79 LEU HA H 4.771 0.030 1 832 79 79 LEU HB2 H 1.728 0.030 2 833 79 79 LEU HB3 H 1.528 0.030 2 834 79 79 LEU HG H 1.647 0.030 1 835 79 79 LEU HD1 H 0.917 0.030 1 836 79 79 LEU HD2 H 0.962 0.030 1 837 79 79 LEU C C 177.343 0.300 1 838 79 79 LEU CA C 53.697 0.300 1 839 79 79 LEU CB C 44.144 0.300 1 840 79 79 LEU CG C 27.183 0.300 1 841 79 79 LEU CD1 C 26.277 0.300 2 842 79 79 LEU CD2 C 23.510 0.300 2 843 79 79 LEU N N 126.858 0.300 1 844 80 80 GLN H H 8.969 0.030 1 845 80 80 GLN HA H 4.526 0.030 1 846 80 80 GLN HB2 H 2.154 0.030 2 847 80 80 GLN HB3 H 2.015 0.030 2 848 80 80 GLN HG2 H 2.622 0.030 2 849 80 80 GLN HG3 H 2.045 0.030 2 850 80 80 GLN HE21 H 7.910 0.030 2 851 80 80 GLN HE22 H 7.015 0.030 2 852 80 80 GLN C C 173.638 0.300 1 853 80 80 GLN CA C 53.500 0.300 1 854 80 80 GLN CB C 28.573 0.300 1 855 80 80 GLN CG C 33.528 0.300 1 856 80 80 GLN N N 126.185 0.300 1 857 80 80 GLN NE2 N 114.987 0.300 1 858 81 81 PRO HA H 4.705 0.030 1 859 81 81 PRO HB2 H 2.316 0.030 2 860 81 81 PRO HB3 H 1.716 0.030 2 861 81 81 PRO HG2 H 2.090 0.030 1 862 81 81 PRO HG3 H 2.090 0.030 1 863 81 81 PRO HD2 H 3.684 0.030 2 864 81 81 PRO HD3 H 3.873 0.030 2 865 81 81 PRO CA C 61.397 0.300 1 866 81 81 PRO CB C 30.856 0.300 1 867 81 81 PRO CG C 27.012 0.300 1 868 81 81 PRO CD C 50.377 0.300 1 869 82 82 PRO HA H 4.532 0.030 1 870 82 82 PRO HB2 H 2.089 0.030 2 871 82 82 PRO HB3 H 1.942 0.030 2 872 82 82 PRO HG2 H 2.068 0.030 1 873 82 82 PRO HG3 H 2.068 0.030 1 874 82 82 PRO HD2 H 3.653 0.030 2 875 82 82 PRO HD3 H 3.846 0.030 2 876 82 82 PRO C C 175.933 0.300 1 877 82 82 PRO CA C 62.955 0.300 1 878 82 82 PRO CB C 31.272 0.300 1 879 82 82 PRO CG C 27.710 0.300 1 880 82 82 PRO CD C 50.336 0.300 1 881 83 83 LEU H H 7.639 0.030 1 882 83 83 LEU HA H 4.325 0.030 1 883 83 83 LEU HB2 H 1.376 0.030 2 884 83 83 LEU HB3 H 1.263 0.030 2 885 83 83 LEU HG H 1.392 0.030 1 886 83 83 LEU HD1 H 0.602 0.030 1 887 83 83 LEU HD2 H 0.625 0.030 1 888 83 83 LEU C C 176.523 0.300 1 889 83 83 LEU CA C 54.890 0.300 1 890 83 83 LEU CB C 43.102 0.300 1 891 83 83 LEU CG C 26.839 0.300 1 892 83 83 LEU CD1 C 23.742 0.300 2 893 83 83 LEU CD2 C 24.596 0.300 2 894 83 83 LEU N N 122.198 0.300 1 895 84 84 SER H H 8.346 0.030 1 896 84 84 SER HA H 4.505 0.030 1 897 84 84 SER HB2 H 3.771 0.030 2 898 84 84 SER HB3 H 3.691 0.030 2 899 84 84 SER C C 173.055 0.300 1 900 84 84 SER CA C 55.922 0.300 1 901 84 84 SER CB C 63.575 0.300 1 902 84 84 SER N N 118.495 0.300 1 903 85 85 PRO HA H 4.316 0.030 1 904 85 85 PRO HB2 H 2.233 0.030 2 905 85 85 PRO HB3 H 1.871 0.030 2 906 85 85 PRO HG2 H 1.950 0.030 2 907 85 85 PRO HG3 H 1.878 0.030 2 908 85 85 PRO HD2 H 3.558 0.030 2 909 85 85 PRO HD3 H 3.614 0.030 2 910 85 85 PRO C C 177.566 0.300 1 911 85 85 PRO CA C 63.980 0.300 1 912 85 85 PRO CB C 31.996 0.300 1 913 85 85 PRO CG C 27.468 0.300 1 914 85 85 PRO CD C 50.637 0.300 1 915 86 86 LEU H H 8.005 0.030 1 916 86 86 LEU HA H 4.192 0.030 1 917 86 86 LEU HB2 H 1.579 0.030 1 918 86 86 LEU HB3 H 1.579 0.030 1 919 86 86 LEU HG H 1.592 0.030 1 920 86 86 LEU HD1 H 0.901 0.030 1 921 86 86 LEU HD2 H 0.851 0.030 1 922 86 86 LEU C C 178.019 0.300 1 923 86 86 LEU CA C 56.272 0.300 1 924 86 86 LEU CB C 42.144 0.300 1 925 86 86 LEU CG C 27.076 0.300 1 926 86 86 LEU CD1 C 24.852 0.300 2 927 86 86 LEU CD2 C 23.651 0.300 2 928 86 86 LEU N N 120.440 0.300 1 929 87 87 GLU H H 8.137 0.030 1 930 87 87 GLU HA H 4.212 0.030 1 931 87 87 GLU HB2 H 2.034 0.030 1 932 87 87 GLU HB3 H 2.034 0.030 1 933 87 87 GLU HG2 H 2.251 0.030 1 934 87 87 GLU HG3 H 2.251 0.030 1 935 87 87 GLU C C 176.924 0.300 1 936 87 87 GLU CA C 57.189 0.300 1 937 87 87 GLU CB C 30.217 0.300 1 938 87 87 GLU CG C 36.611 0.300 1 939 87 87 GLU N N 119.955 0.300 1 940 88 88 LEU H H 8.005 0.030 1 941 88 88 LEU HA H 4.283 0.030 1 942 88 88 LEU HB2 H 1.605 0.030 1 943 88 88 LEU HB3 H 1.605 0.030 1 944 88 88 LEU HG H 1.563 0.030 1 945 88 88 LEU HD1 H 0.844 0.030 1 946 88 88 LEU HD2 H 0.825 0.030 1 947 88 88 LEU C C 177.654 0.300 1 948 88 88 LEU CA C 55.584 0.300 1 949 88 88 LEU CB C 42.175 0.300 1 950 88 88 LEU CG C 27.021 0.300 1 951 88 88 LEU CD1 C 25.014 0.300 2 952 88 88 LEU CD2 C 23.637 0.300 2 953 88 88 LEU N N 121.611 0.300 1 954 89 89 MET H H 8.114 0.030 1 955 89 89 MET HA H 4.410 0.030 1 956 89 89 MET HB2 H 2.058 0.030 2 957 89 89 MET HB3 H 2.118 0.030 2 958 89 89 MET HG2 H 2.616 0.030 2 959 89 89 MET HG3 H 2.533 0.030 2 960 89 89 MET HE H 2.071 0.030 1 961 89 89 MET C C 176.657 0.300 1 962 89 89 MET CA C 56.209 0.300 1 963 89 89 MET CB C 32.944 0.300 1 964 89 89 MET CG C 32.066 0.300 1 965 89 89 MET CE C 17.040 0.300 1 966 89 89 MET N N 120.507 0.300 1 967 90 90 GLU H H 8.320 0.030 1 968 90 90 GLU HA H 4.268 0.030 1 969 90 90 GLU HB2 H 1.985 0.030 2 970 90 90 GLU HB3 H 2.085 0.030 2 971 90 90 GLU HG2 H 2.260 0.030 2 972 90 90 GLU HG3 H 2.333 0.030 2 973 90 90 GLU C C 176.584 0.300 1 974 90 90 GLU CA C 57.013 0.300 1 975 90 90 GLU CB C 30.265 0.300 1 976 90 90 GLU CG C 36.364 0.300 1 977 90 90 GLU N N 121.492 0.300 1 978 91 91 ALA H H 8.252 0.030 1 979 91 91 ALA HA H 4.336 0.030 1 980 91 91 ALA HB H 1.421 0.030 1 981 91 91 ALA C C 178.007 0.300 1 982 91 91 ALA CA C 52.887 0.300 1 983 91 91 ALA CB C 19.166 0.300 1 984 91 91 ALA N N 124.444 0.300 1 985 92 92 SER H H 8.201 0.030 1 986 92 92 SER HA H 4.430 0.030 1 987 92 92 SER HB2 H 3.888 0.030 2 988 92 92 SER C C 174.941 0.300 1 989 92 92 SER CA C 58.775 0.300 1 990 92 92 SER CB C 63.685 0.300 1 991 92 92 SER N N 114.674 0.300 1 992 93 93 GLU H H 8.394 0.030 1 993 93 93 GLU HA H 4.268 0.030 1 994 93 93 GLU HB2 H 1.919 0.030 2 995 93 93 GLU HB3 H 1.994 0.030 2 996 93 93 GLU HG2 H 2.144 0.030 2 997 93 93 GLU HG3 H 2.215 0.030 2 998 93 93 GLU C C 176.523 0.300 1 999 93 93 GLU CA C 56.995 0.300 1 1000 93 93 GLU CB C 30.141 0.300 1 1001 93 93 GLU CG C 36.159 0.300 1 1002 93 93 GLU N N 122.385 0.300 1 1003 94 94 HIS H H 8.241 0.030 1 1004 94 94 HIS HA H 4.694 0.030 1 1005 94 94 HIS HB2 H 3.108 0.030 2 1006 94 94 HIS HB3 H 3.230 0.030 2 1007 94 94 HIS HD2 H 7.095 0.030 1 1008 94 94 HIS HE1 H 8.699 0.030 1 1009 94 94 HIS C C 176.073 0.300 1 1010 94 94 HIS CA C 56.290 0.300 1 1011 94 94 HIS CB C 30.637 0.300 1 1012 94 94 HIS CD2 C 120.052 0.300 1 1013 94 94 HIS CE1 C 137.138 0.300 1 1014 94 94 HIS N N 119.411 0.300 1 1015 95 95 GLY H H 8.331 0.030 1 1016 95 95 GLY HA2 H 4.019 0.030 1 1017 95 95 GLY HA3 H 4.019 0.030 1 1018 95 95 GLY C C 174.772 0.300 1 1019 95 95 GLY CA C 45.409 0.300 1 1020 95 95 GLY N N 109.881 0.300 1 1021 96 96 GLY H H 8.367 0.030 1 1022 96 96 GLY HA2 H 3.975 0.030 2 1023 96 96 GLY C C 173.993 0.300 1 1024 96 96 GLY CA C 45.287 0.300 1 1025 96 96 GLY N N 108.905 0.300 1 1026 97 97 CYS H H 7.973 0.030 1 1027 97 97 CYS HA H 4.793 0.030 1 1028 97 97 CYS HB2 H 2.056 0.030 1 1029 97 97 CYS HB3 H 2.056 0.030 1 1030 97 97 CYS C C 176.018 0.300 1 1031 97 97 CYS CA C 62.108 0.300 1 1032 97 97 CYS CB C 32.856 0.300 1 1033 97 97 CYS N N 119.542 0.300 1 1034 98 98 SER HA H 4.526 0.030 1 1035 98 98 SER HB2 H 3.873 0.030 2 1036 98 98 SER C C 174.276 0.300 1 1037 98 98 SER CA C 58.511 0.300 1 1038 98 98 SER CB C 63.644 0.300 1 1039 99 99 THR HA H 4.648 0.030 1 1040 99 99 THR HB H 4.177 0.030 1 1041 99 99 THR HG2 H 1.253 0.030 1 1042 99 99 THR C C 172.933 0.300 1 1043 99 99 THR CA C 59.772 0.300 1 1044 99 99 THR CB C 69.806 0.300 1 1045 99 99 THR CG2 C 21.510 0.300 1 1046 100 100 PRO HA H 4.438 0.030 1 1047 100 100 PRO HB2 H 2.305 0.030 2 1048 100 100 PRO HB3 H 1.913 0.030 2 1049 100 100 PRO HG2 H 2.060 0.030 2 1050 100 100 PRO HG3 H 1.874 0.030 2 1051 100 100 PRO HD2 H 3.840 0.030 2 1052 100 100 PRO HD3 H 3.716 0.030 2 1053 100 100 PRO C C 177.566 0.300 1 1054 100 100 PRO CA C 63.660 0.300 1 1055 100 100 PRO CB C 32.161 0.300 1 1056 100 100 PRO CG C 27.582 0.300 1 1057 100 100 PRO CD C 51.117 0.300 1 1058 101 101 GLY H H 8.554 0.030 1 1059 101 101 GLY HA2 H 3.989 0.030 2 1060 101 101 GLY C C 174.237 0.300 1 1061 101 101 GLY CA C 45.322 0.300 1 1062 101 101 GLY N N 109.886 0.300 1 1063 102 102 SER H H 8.183 0.030 1 1064 102 102 SER HA H 4.483 0.030 1 1065 102 102 SER HB2 H 3.888 0.030 2 1066 102 102 SER C C 174.613 0.300 1 1067 102 102 SER CA C 58.318 0.300 1 1068 102 102 SER CB C 64.056 0.300 1 1069 102 102 SER N N 115.357 0.300 1 1070 103 103 GLY H H 8.332 0.030 1 1071 103 103 GLY C C 171.865 0.300 1 1072 103 103 GLY CA C 44.687 0.300 1 1073 103 103 GLY N N 110.776 0.300 1 1074 104 104 PRO HA H 4.492 0.030 1 1075 104 104 PRO HB2 H 2.314 0.030 2 1076 104 104 PRO HB3 H 1.957 0.030 2 1077 104 104 PRO HG2 H 2.036 0.030 1 1078 104 104 PRO HG3 H 2.036 0.030 1 1079 104 104 PRO HD2 H 3.646 0.030 1 1080 104 104 PRO HD3 H 3.646 0.030 1 1081 104 104 PRO C C 177.371 0.300 1 1082 104 104 PRO CA C 63.151 0.300 1 1083 104 104 PRO CB C 32.145 0.300 1 1084 104 104 PRO CG C 27.133 0.300 1 1085 104 104 PRO CD C 49.840 0.300 1 1086 105 105 SER H H 8.530 0.030 1 1087 105 105 SER HA H 4.483 0.030 1 1088 105 105 SER HB2 H 3.902 0.030 2 1089 105 105 SER C C 174.687 0.300 1 1090 105 105 SER CA C 58.352 0.300 1 1091 105 105 SER CB C 63.851 0.300 1 1092 105 105 SER N N 116.406 0.300 1 1093 106 106 SER H H 8.341 0.030 1 1094 106 106 SER HA H 4.512 0.030 1 1095 106 106 SER HB2 H 3.888 0.030 2 1096 106 106 SER C C 173.945 0.300 1 1097 106 106 SER CA C 58.370 0.300 1 1098 106 106 SER CB C 63.892 0.300 1 1099 106 106 SER N N 117.853 0.300 1 1100 107 107 GLY H H 8.059 0.030 1 1101 107 107 GLY C C 179.053 0.300 1 1102 107 107 GLY CA C 46.274 0.300 1 1103 107 107 GLY N N 116.881 0.300 1 stop_ save_