data_6957 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SCAN homodimer from MZF-1/ZNF42 ; _BMRB_accession_number 6957 _BMRB_flat_file_name bmr6957.str _Entry_type new _Submission_date 2006-01-27 _Accession_date 2006-01-27 _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 Volkman B. F. . 2 Peterson F. C. . 3 Sander T. L. . 4 Waltner J. K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 398 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-29 update BMRB 'added time domain data' 2007-01-04 update author 'update the entry citation' 2006-03-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the SCAN domain from the tumor suppressor protein MZF1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16950398 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson F. C. . 2 Hayes P. L. . 3 Waltner J. K. . 4 Heisner A. K. . 5 Jensen D. R. . 6 Sander T. L. . 7 Volkman B. F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 363 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 137 _Page_last 147 _Year 2006 _Details . loop_ _Keyword 'SCAN domain' Znf-42 MZF-1 homodimer 'transcription factor' 'Structural Genomics' PSI 'Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' CESG stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name SCAN _Abbreviation_common SCAN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SCAN subunit 1' $entity 'SCAN subunit 2' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SCAN _Abbreviation_common SCAN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSDPGPEAARLRFRCFHYEE ATGPQEALAQLRELCRQWLR PEVRSKEQMLELLVLEQFLG ALPPEIQARVQGQRPGSPEE AAALVDGLRREPGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 35 GLY 2 36 SER 3 37 ASP 4 38 PRO 5 39 GLY 6 40 PRO 7 41 GLU 8 42 ALA 9 43 ALA 10 44 ARG 11 45 LEU 12 46 ARG 13 47 PHE 14 48 ARG 15 49 CYS 16 50 PHE 17 51 HIS 18 52 TYR 19 53 GLU 20 54 GLU 21 55 ALA 22 56 THR 23 57 GLY 24 58 PRO 25 59 GLN 26 60 GLU 27 61 ALA 28 62 LEU 29 63 ALA 30 64 GLN 31 65 LEU 32 66 ARG 33 67 GLU 34 68 LEU 35 69 CYS 36 70 ARG 37 71 GLN 38 72 TRP 39 73 LEU 40 74 ARG 41 75 PRO 42 76 GLU 43 77 VAL 44 78 ARG 45 79 SER 46 80 LYS 47 81 GLU 48 82 GLN 49 83 MET 50 84 LEU 51 85 GLU 52 86 LEU 53 87 LEU 54 88 VAL 55 89 LEU 56 90 GLU 57 91 GLN 58 92 PHE 59 93 LEU 60 94 GLY 61 95 ALA 62 96 LEU 63 97 PRO 64 98 PRO 65 99 GLU 66 100 ILE 67 101 GLN 68 102 ALA 69 103 ARG 70 104 VAL 71 105 GLN 72 106 GLY 73 107 GLN 74 108 ARG 75 109 PRO 76 110 GLY 77 111 SER 78 112 PRO 79 113 GLU 80 114 GLU 81 115 ALA 82 116 ALA 83 117 ALA 84 118 LEU 85 119 VAL 86 120 ASP 87 121 GLY 88 122 LEU 89 123 ARG 90 124 ARG 91 125 GLU 92 126 PRO 93 127 GLY 94 128 GLY 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 2FI2 "Solution Structure Of The Scan Homodimer From Mzf-1ZNF42" 100.00 94 100.00 100.00 3.49e-57 DBJ BAD92718 "zinc finger protein 42 isoform 2 variant [Homo sapiens]" 97.87 238 98.91 98.91 3.57e-53 GB AAD55809 "zinc finger protein 42 [Homo sapiens]" 97.87 734 100.00 100.00 5.81e-51 GB AAD55810 "zinc finger protein 42 [Homo sapiens]" 97.87 734 100.00 100.00 5.81e-51 GB AAF80465 "myeloid zinc finger protein 1 splice variant [Homo sapiens]" 97.87 734 100.00 100.00 5.81e-51 GB AAH07777 "Myeloid zinc finger 1 [Homo sapiens]" 97.87 734 98.91 98.91 9.94e-50 GB AAH53316 "MZF1 protein [Homo sapiens]" 97.87 290 100.00 100.00 4.82e-54 REF NP_001253962 "myeloid zinc finger 1 isoform 2 [Homo sapiens]" 97.87 290 98.91 98.91 1.18e-52 REF NP_003413 "myeloid zinc finger 1 isoform 1 [Homo sapiens]" 97.87 734 98.91 98.91 9.94e-50 REF NP_932172 "myeloid zinc finger 1 isoform 1 [Homo sapiens]" 97.87 734 98.91 98.91 9.94e-50 REF XP_001099728 "PREDICTED: myeloid zinc finger 1-like isoform 1 [Macaca mulatta]" 96.81 734 97.80 98.90 1.51e-48 REF XP_001099833 "PREDICTED: myeloid zinc finger 1-like isoform 2 [Macaca mulatta]" 96.81 734 97.80 98.90 1.51e-48 SP P28698 "RecName: Full=Myeloid zinc finger 1; Short=MZF-1; AltName: Full=Zinc finger and SCAN domain-containing protein 6; AltName: Full" 97.87 734 98.91 98.91 9.94e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity '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 $entity 2 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.7 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.9.3. loop_ _Task refinement stop_ _Details 'SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M.' save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _Sample_label . save_ save_3D_13C-F1-filtered-13C-F3-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-F1-filtered-13C-F3-separated NOESY' _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-F1-filtered-13C-F3-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 298 . K 'ionic strength' 99 . mM pressure 1 . atm 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 . direct external . . . 1.000000000 DSS C 13 'methyl protons' ppm . indirect external . . . 0.251449530 DSS N 15 'methyl protons' ppm . indirect external . . . 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_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 'SCAN subunit 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 . 3 ASP HA H 4.934 0.02 1 2 . 3 ASP HB2 H 2.792 0.02 2 3 . 3 ASP HB3 H 2.639 0.02 2 4 . 3 ASP CA C 52.545 0.1 1 5 . 3 ASP CB C 41.868 0.1 1 6 . 4 PRO HA H 4.521 0.02 1 7 . 4 PRO HB2 H 2.079 0.02 2 8 . 4 PRO HB3 H 2.267 0.02 2 9 . 4 PRO HG2 H 2.045 0.02 1 10 . 4 PRO HG3 H 2.045 0.02 1 11 . 4 PRO HD2 H 3.927 0.02 1 12 . 4 PRO HD3 H 3.927 0.02 1 13 . 4 PRO C C 177.746 0.1 1 14 . 4 PRO CA C 63.848 0.1 1 15 . 4 PRO CB C 32.808 0.1 1 16 . 4 PRO CG C 26.984 0.1 1 17 . 4 PRO CD C 51.251 0.1 1 18 . 5 GLY H H 8.578 0.02 1 19 . 5 GLY HA2 H 4.062 0.02 2 20 . 5 GLY HA3 H 4.211 0.02 2 21 . 5 GLY C C 173.964 0.1 1 22 . 5 GLY CA C 46.721 0.1 1 23 . 5 GLY N N 109.528 0.1 1 24 . 6 PRO HA H 4.693 0.02 1 25 . 6 PRO HB2 H 2.744 0.02 2 26 . 6 PRO HB3 H 2.289 0.02 2 27 . 6 PRO HG2 H 2.267 0.02 2 28 . 6 PRO HG3 H 2.110 0.02 2 29 . 6 PRO HD2 H 3.845 0.02 2 30 . 6 PRO HD3 H 3.697 0.02 2 31 . 6 PRO C C 178.112 0.1 1 32 . 6 PRO CA C 65.935 0.1 1 33 . 6 PRO CB C 32.290 0.1 1 34 . 6 PRO CG C 27.954 0.1 1 35 . 6 PRO CD C 50.927 0.1 1 36 . 7 GLU H H 7.963 0.02 1 37 . 7 GLU HA H 4.466 0.02 1 38 . 7 GLU HB2 H 1.796 0.02 2 39 . 7 GLU HB3 H 2.051 0.02 2 40 . 7 GLU HG2 H 2.316 0.02 2 41 . 7 GLU HG3 H 2.194 0.02 2 42 . 7 GLU C C 178.065 0.1 1 43 . 7 GLU CA C 58.238 0.1 1 44 . 7 GLU CB C 29.388 0.1 1 45 . 7 GLU CG C 35.073 0.1 1 46 . 7 GLU N N 118.078 0.1 1 47 . 8 ALA H H 7.875 0.02 1 48 . 8 ALA HA H 4.059 0.02 1 49 . 8 ALA HB H 1.443 0.02 1 50 . 8 ALA C C 181.008 0.1 1 51 . 8 ALA CA C 55.205 0.1 1 52 . 8 ALA CB C 18.362 0.1 1 53 . 8 ALA N N 121.025 0.1 1 54 . 9 ALA H H 7.858 0.02 1 55 . 9 ALA HA H 4.047 0.02 1 56 . 9 ALA HB H 1.609 0.02 1 57 . 9 ALA C C 180.354 0.011 1 58 . 9 ALA CA C 55.199 0.1 1 59 . 9 ALA CB C 18.284 0.1 1 60 . 9 ALA N N 120.300 0.1 1 61 . 10 ARG H H 8.426 0.02 1 62 . 10 ARG HA H 2.733 0.02 1 63 . 10 ARG HB2 H 0.295 0.02 2 64 . 10 ARG HB3 H 1.502 0.02 2 65 . 10 ARG HG2 H 0.604 0.02 2 66 . 10 ARG HG3 H -0.750 0.02 2 67 . 10 ARG HD2 H 3.183 0.02 2 68 . 10 ARG HD3 H 2.608 0.02 2 69 . 10 ARG HE H 8.632 0.002 1 70 . 10 ARG C C 178.673 0.1 1 71 . 10 ARG CA C 60.633 0.1 1 72 . 10 ARG CB C 29.572 0.1 1 73 . 10 ARG CG C 26.013 0.1 1 74 . 10 ARG CD C 42.838 0.1 1 75 . 10 ARG N N 123.793 0.1 1 76 . 10 ARG NE N 113.446 0.1 1 77 . 11 LEU H H 8.111 0.02 1 78 . 11 LEU HA H 3.763 0.02 1 79 . 11 LEU HB2 H 1.756 0.02 2 80 . 11 LEU HB3 H 1.390 0.02 2 81 . 11 LEU HG H 1.615 0.02 1 82 . 11 LEU HD1 H 0.818 0.02 2 83 . 11 LEU HD2 H 0.728 0.02 2 84 . 11 LEU C C 179.584 0.1 1 85 . 11 LEU CA C 58.369 0.1 1 86 . 11 LEU CB C 42.191 0.1 1 87 . 11 LEU CG C 27.300 0.1 1 88 . 11 LEU CD1 C 25.730 0.1 1 89 . 11 LEU CD2 C 23.400 0.1 1 90 . 11 LEU N N 117.622 0.1 1 91 . 12 ARG H H 7.543 0.02 1 92 . 12 ARG HA H 3.980 0.02 1 93 . 12 ARG HB2 H 1.924 0.02 1 94 . 12 ARG HB3 H 1.924 0.02 1 95 . 12 ARG HG2 H 1.647 0.02 1 96 . 12 ARG HG3 H 1.647 0.02 1 97 . 12 ARG HD2 H 3.254 0.02 1 98 . 12 ARG HD3 H 3.254 0.02 1 99 . 12 ARG C C 178.350 0.1 1 100 . 12 ARG CA C 59.999 0.1 1 101 . 12 ARG CB C 30.918 0.1 1 102 . 12 ARG CG C 28.602 0.1 1 103 . 12 ARG CD C 43.809 0.1 1 104 . 12 ARG N N 118.017 0.1 1 105 . 13 PHE H H 7.650 0.02 1 106 . 13 PHE HA H 4.429 0.02 1 107 . 13 PHE HB2 H 3.035 0.02 2 108 . 13 PHE HB3 H 3.273 0.02 2 109 . 13 PHE HD1 H 7.244 0.02 1 110 . 13 PHE HD2 H 7.244 0.02 1 111 . 13 PHE HE1 H 7.368 0.02 1 112 . 13 PHE HE2 H 7.368 0.02 1 113 . 13 PHE HZ H 7.180 0.02 1 114 . 13 PHE C C 175.331 0.1 1 115 . 13 PHE CA C 60.215 0.1 1 116 . 13 PHE CB C 39.676 0.1 1 117 . 13 PHE CD1 C 132.047 0.1 1 118 . 13 PHE CE1 C 131.271 0.1 1 119 . 13 PHE CZ C 129.200 0.1 1 120 . 13 PHE N N 118.259 0.1 1 121 . 14 ARG H H 8.370 0.02 1 122 . 14 ARG HA H 3.834 0.02 1 123 . 14 ARG HB2 H 1.783 0.02 1 124 . 14 ARG HB3 H 1.783 0.02 1 125 . 14 ARG HG2 H 1.618 0.02 1 126 . 14 ARG HG3 H 1.618 0.02 1 127 . 14 ARG HD2 H 2.841 0.02 1 128 . 14 ARG HD3 H 2.841 0.02 1 129 . 14 ARG HE H 9.927 0.02 1 130 . 14 ARG C C 179.166 0.1 1 131 . 14 ARG CA C 55.781 0.1 1 132 . 14 ARG CB C 29.896 0.1 1 133 . 14 ARG CG C 26.013 0.1 1 134 . 14 ARG CD C 42.838 0.1 1 135 . 14 ARG N N 112.278 0.1 1 136 . 14 ARG NE N 118.117 0.1 1 137 . 15 CYS H H 8.028 0.02 1 138 . 15 CYS HA H 4.529 0.02 1 139 . 15 CYS HB2 H 2.883 0.02 2 140 . 15 CYS HB3 H 3.081 0.02 2 141 . 15 CYS C C 173.642 0.1 1 142 . 15 CYS CA C 58.868 0.1 1 143 . 15 CYS CB C 27.436 0.1 1 144 . 15 CYS N N 115.233 0.1 1 145 . 16 PHE H H 6.894 0.02 1 146 . 16 PHE HA H 4.141 0.02 1 147 . 16 PHE HB2 H 2.614 0.02 2 148 . 16 PHE HB3 H 3.259 0.02 2 149 . 16 PHE HD1 H 7.023 0.02 1 150 . 16 PHE HD2 H 7.023 0.02 1 151 . 16 PHE HE1 H 7.291 0.02 1 152 . 16 PHE HE2 H 7.291 0.02 1 153 . 16 PHE C C 174.230 0.1 1 154 . 16 PHE CA C 60.101 0.1 1 155 . 16 PHE CB C 40.837 0.1 1 156 . 16 PHE CD1 C 132.306 0.1 1 157 . 16 PHE CE1 C 130.750 0.1 1 158 . 16 PHE N N 122.729 0.1 1 159 . 17 HIS H H 7.725 0.02 1 160 . 17 HIS HA H 4.724 0.02 1 161 . 17 HIS HB2 H 2.961 0.02 2 162 . 17 HIS HB3 H 2.874 0.02 2 163 . 17 HIS HD2 H 7.036 0.02 1 164 . 17 HIS HE1 H 8.158 0.02 1 165 . 17 HIS C C 172.750 0.001 1 166 . 17 HIS CA C 54.216 0.1 1 167 . 17 HIS CB C 31.288 0.1 1 168 . 17 HIS CD2 C 120.658 0.1 1 169 . 17 HIS CE1 C 137.224 0.1 1 170 . 17 HIS N N 126.921 0.1 1 171 . 18 TYR H H 8.296 0.02 1 172 . 18 TYR HA H 4.101 0.02 1 173 . 18 TYR HB2 H 2.784 0.02 1 174 . 18 TYR HB3 H 2.784 0.02 1 175 . 18 TYR HD1 H 6.816 0.02 1 176 . 18 TYR HD2 H 6.816 0.02 1 177 . 18 TYR HE1 H 6.541 0.02 1 178 . 18 TYR HE2 H 6.541 0.02 1 179 . 18 TYR C C 174.479 0.002 1 180 . 18 TYR CA C 59.077 0.1 1 181 . 18 TYR CB C 39.757 0.1 1 182 . 18 TYR CD1 C 132.565 0.1 1 183 . 18 TYR CE1 C 118.070 0.1 1 184 . 18 TYR N N 125.124 0.1 1 185 . 19 GLU H H 8.449 0.02 1 186 . 19 GLU HA H 4.233 0.02 1 187 . 19 GLU HB2 H 1.973 0.02 2 188 . 19 GLU HB3 H 1.791 0.02 2 189 . 19 GLU HG2 H 2.152 0.02 1 190 . 19 GLU HG3 H 2.152 0.02 1 191 . 19 GLU C C 176.129 0.1 1 192 . 19 GLU CA C 55.134 0.1 1 193 . 19 GLU CB C 30.219 0.1 1 194 . 19 GLU CG C 36.367 0.1 1 195 . 19 GLU N N 126.409 0.1 1 196 . 20 GLU H H 8.438 0.02 1 197 . 20 GLU HA H 3.831 0.02 1 198 . 20 GLU HB2 H 2.017 0.02 1 199 . 20 GLU HB3 H 2.017 0.02 1 200 . 20 GLU HG2 H 2.264 0.02 1 201 . 20 GLU HG3 H 2.264 0.02 1 202 . 20 GLU C C 177.818 0.1 1 203 . 20 GLU CA C 59.071 0.1 1 204 . 20 GLU CB C 30.200 0.1 1 205 . 20 GLU CG C 37.014 0.1 1 206 . 20 GLU N N 123.956 0.1 1 207 . 21 ALA H H 8.401 0.02 1 208 . 21 ALA HA H 4.279 0.02 1 209 . 21 ALA HB H 1.433 0.02 1 210 . 21 ALA C C 178.919 0.1 1 211 . 21 ALA CA C 53.769 0.1 1 212 . 21 ALA CB C 19.522 0.1 1 213 . 21 ALA N N 119.930 0.1 1 214 . 22 THR H H 7.716 0.02 1 215 . 22 THR HA H 4.253 0.02 1 216 . 22 THR HB H 4.290 0.02 1 217 . 22 THR HG2 H 1.283 0.02 1 218 . 22 THR C C 175.825 0.1 1 219 . 22 THR CA C 63.141 0.1 1 220 . 22 THR CB C 69.716 0.1 1 221 . 22 THR CG2 C 22.460 0.1 1 222 . 22 THR N N 110.064 0.1 1 223 . 23 GLY H H 7.616 0.02 1 224 . 23 GLY HA2 H 4.208 0.02 2 225 . 23 GLY HA3 H 4.423 0.02 2 226 . 23 GLY C C 173.338 0.1 1 227 . 23 GLY CA C 45.427 0.1 1 228 . 23 GLY N N 108.976 0.1 1 229 . 24 PRO HA H 4.609 0.02 1 230 . 24 PRO HB2 H 2.393 0.02 2 231 . 24 PRO HB3 H 2.074 0.02 2 232 . 24 PRO HG2 H 2.195 0.02 2 233 . 24 PRO HG3 H 2.261 0.02 2 234 . 24 PRO HD2 H 3.815 0.02 2 235 . 24 PRO HD3 H 4.091 0.02 2 236 . 24 PRO C C 178.144 0.1 1 237 . 24 PRO CA C 66.095 0.1 1 238 . 24 PRO CB C 33.134 0.1 1 239 . 24 PRO CG C 27.954 0.1 1 240 . 24 PRO CD C 50.280 0.1 1 241 . 25 GLN H H 8.491 0.02 1 242 . 25 GLN HA H 3.955 0.02 1 243 . 25 GLN HB2 H 2.109 0.02 1 244 . 25 GLN HB3 H 2.109 0.02 1 245 . 25 GLN HG2 H 2.502 0.02 2 246 . 25 GLN HG3 H 2.449 0.02 2 247 . 25 GLN HE21 H 7.618 0.02 2 248 . 25 GLN HE22 H 6.913 0.02 2 249 . 25 GLN C C 179.736 0.1 1 250 . 25 GLN CA C 60.160 0.1 1 251 . 25 GLN CB C 27.411 0.1 1 252 . 25 GLN CG C 34.102 0.1 1 253 . 25 GLN N N 118.117 0.1 1 254 . 25 GLN NE2 N 111.939 0.003 1 255 . 26 GLU H H 8.578 0.02 1 256 . 26 GLU HA H 4.223 0.02 1 257 . 26 GLU HB2 H 2.004 0.02 2 258 . 26 GLU HB3 H 2.125 0.02 2 259 . 26 GLU HG2 H 2.406 0.02 2 260 . 26 GLU HG3 H 2.354 0.02 2 261 . 26 GLU C C 178.900 0.1 1 262 . 26 GLU CA C 59.321 0.1 1 263 . 26 GLU CB C 29.335 0.1 1 264 . 26 GLU CG C 36.691 0.1 1 265 . 26 GLU N N 122.036 0.1 1 266 . 27 ALA H H 7.789 0.02 1 267 . 27 ALA HA H 4.316 0.02 1 268 . 27 ALA HB H 1.893 0.02 1 269 . 27 ALA C C 179.394 0.1 1 270 . 27 ALA CA C 55.691 0.1 1 271 . 27 ALA CB C 19.364 0.1 1 272 . 27 ALA N N 121.290 0.1 1 273 . 28 LEU H H 8.120 0.02 1 274 . 28 LEU HA H 3.781 0.02 1 275 . 28 LEU HB2 H 1.753 0.02 2 276 . 28 LEU HB3 H 1.314 0.02 2 277 . 28 LEU HG H 1.393 0.02 1 278 . 28 LEU HD1 H 0.481 0.02 2 279 . 28 LEU HD2 H 0.286 0.02 2 280 . 28 LEU C C 178.464 0.1 1 281 . 28 LEU CA C 58.455 0.1 1 282 . 28 LEU CB C 42.191 0.1 1 283 . 28 LEU CG C 26.984 0.1 1 284 . 28 LEU CD1 C 25.366 0.1 1 285 . 28 LEU CD2 C 24.072 0.1 1 286 . 28 LEU N N 116.715 0.1 1 287 . 29 ALA H H 7.728 0.02 1 288 . 29 ALA HA H 4.101 0.02 1 289 . 29 ALA HB H 1.549 0.02 1 290 . 29 ALA C C 181.634 0.1 1 291 . 29 ALA CA C 55.746 0.1 1 292 . 29 ALA CB C 18.362 0.1 1 293 . 29 ALA N N 121.103 0.1 1 294 . 30 GLN H H 8.129 0.02 1 295 . 30 GLN HA H 4.120 0.02 1 296 . 30 GLN HB2 H 2.283 0.02 2 297 . 30 GLN HB3 H 2.140 0.02 2 298 . 30 GLN HG2 H 2.726 0.02 2 299 . 30 GLN HG3 H 2.482 0.02 2 300 . 30 GLN HE21 H 7.652 0.02 2 301 . 30 GLN HE22 H 6.870 0.02 2 302 . 30 GLN C C 179.204 0.1 1 303 . 30 GLN CA C 59.241 0.1 1 304 . 30 GLN CB C 29.071 0.1 1 305 . 30 GLN CG C 34.426 0.1 1 306 . 30 GLN N N 118.477 0.1 1 307 . 30 GLN NE2 N 110.821 0.006 1 308 . 31 LEU H H 8.628 0.02 1 309 . 31 LEU HA H 3.917 0.02 1 310 . 31 LEU HB2 H 1.946 0.02 2 311 . 31 LEU HB3 H 1.349 0.02 2 312 . 31 LEU HG H 0.976 0.02 1 313 . 31 LEU HD1 H 0.752 0.02 2 314 . 31 LEU HD2 H 0.598 0.02 2 315 . 31 LEU C C 179.299 0.1 1 316 . 31 LEU CA C 58.509 0.1 1 317 . 31 LEU CB C 44.108 0.1 1 318 . 31 LEU CG C 27.307 0.1 1 319 . 31 LEU CD1 C 26.337 0.1 1 320 . 31 LEU CD2 C 25.690 0.1 1 321 . 31 LEU N N 120.452 0.1 1 322 . 32 ARG H H 8.675 0.02 1 323 . 32 ARG HA H 3.800 0.02 1 324 . 32 ARG HB2 H 1.861 0.02 1 325 . 32 ARG HB3 H 1.861 0.02 1 326 . 32 ARG HG2 H 1.591 0.02 1 327 . 32 ARG HG3 H 1.591 0.02 1 328 . 32 ARG HD2 H 3.089 0.02 2 329 . 32 ARG HD3 H 3.038 0.02 2 330 . 32 ARG HE H 9.003 0.02 1 331 . 32 ARG C C 178.768 0.1 1 332 . 32 ARG CA C 60.811 0.1 1 333 . 32 ARG CB C 30.538 0.1 1 334 . 32 ARG CG C 30.543 0.1 1 335 . 32 ARG CD C 43.485 0.1 1 336 . 32 ARG N N 119.182 0.1 1 337 . 32 ARG NE N 116.949 0.1 1 338 . 33 GLU H H 7.387 0.02 1 339 . 33 GLU HA H 4.212 0.02 1 340 . 33 GLU HB2 H 2.121 0.02 1 341 . 33 GLU HB3 H 2.121 0.02 1 342 . 33 GLU HG2 H 2.374 0.02 2 343 . 33 GLU HG3 H 2.254 0.02 2 344 . 33 GLU C C 178.806 0.1 1 345 . 33 GLU CA C 59.213 0.1 1 346 . 33 GLU CB C 29.249 0.1 1 347 . 33 GLU CG C 35.396 0.1 1 348 . 33 GLU N N 119.791 0.1 1 349 . 34 LEU H H 8.514 0.02 1 350 . 34 LEU HA H 4.067 0.02 1 351 . 34 LEU HB2 H 2.162 0.02 2 352 . 34 LEU HB3 H 1.515 0.02 2 353 . 34 LEU HG H 2.039 0.02 1 354 . 34 LEU HD1 H 1.047 0.02 2 355 . 34 LEU HD2 H 0.967 0.02 2 356 . 34 LEU C C 179.907 0.1 1 357 . 34 LEU CA C 58.021 0.1 1 358 . 34 LEU CB C 43.225 0.1 1 359 . 34 LEU CG C 26.984 0.1 1 360 . 34 LEU CD1 C 26.337 0.1 1 361 . 34 LEU CD2 C 22.778 0.1 1 362 . 34 LEU N N 119.518 0.1 1 363 . 35 CYS H H 8.588 0.02 1 364 . 35 CYS HA H 3.116 0.02 1 365 . 35 CYS HB2 H 2.601 0.02 2 366 . 35 CYS HB3 H 2.508 0.02 2 367 . 35 CYS C C 176.907 0.1 1 368 . 35 CYS CA C 63.601 0.1 1 369 . 35 CYS CB C 26.900 0.1 1 370 . 35 CYS N N 120.686 0.1 1 371 . 36 ARG H H 7.962 0.02 1 372 . 36 ARG HA H 3.616 0.02 1 373 . 36 ARG HB2 H 1.978 0.02 1 374 . 36 ARG HB3 H 1.978 0.02 1 375 . 36 ARG HG2 H 1.528 0.02 2 376 . 36 ARG HG3 H 1.745 0.02 2 377 . 36 ARG HD2 H 3.228 0.02 2 378 . 36 ARG HD3 H 3.164 0.02 2 379 . 36 ARG C C 179.603 0.1 1 380 . 36 ARG CA C 60.594 0.1 1 381 . 36 ARG CB C 30.390 0.1 1 382 . 36 ARG CG C 28.824 0.189 1 383 . 36 ARG CD C 43.162 0.1 1 384 . 36 ARG N N 118.730 0.1 1 385 . 37 GLN H H 8.308 0.02 1 386 . 37 GLN HA H 3.978 0.02 1 387 . 37 GLN HB2 H 2.140 0.02 1 388 . 37 GLN HB3 H 2.140 0.02 1 389 . 37 GLN HG2 H 2.706 0.02 2 390 . 37 GLN HG3 H 2.449 0.02 2 391 . 37 GLN HE21 H 7.863 0.02 2 392 . 37 GLN HE22 H 6.725 0.02 2 393 . 37 GLN C C 176.812 0.1 1 394 . 37 GLN CA C 59.023 0.1 1 395 . 37 GLN CB C 28.913 0.1 1 396 . 37 GLN CG C 34.749 0.1 1 397 . 37 GLN N N 118.842 0.1 1 398 . 37 GLN NE2 N 111.659 0.001 1 399 . 38 TRP H H 7.345 0.02 1 400 . 38 TRP HA H 4.888 0.02 1 401 . 38 TRP HB2 H 3.321 0.02 2 402 . 38 TRP HB3 H 2.763 0.02 2 403 . 38 TRP HD1 H 7.177 0.02 1 404 . 38 TRP HE1 H 10.324 0.02 1 405 . 38 TRP HE3 H 7.113 0.02 1 406 . 38 TRP HZ2 H 7.364 0.02 1 407 . 38 TRP HZ3 H 7.099 0.02 1 408 . 38 TRP HH2 H 7.397 0.02 1 409 . 38 TRP C C 176.167 0.1 1 410 . 38 TRP CA C 58.022 0.1 1 411 . 38 TRP CB C 28.491 0.1 1 412 . 38 TRP CD1 C 126.871 0.1 1 413 . 38 TRP CE3 C 120.141 0.1 1 414 . 38 TRP CZ2 C 113.929 0.1 1 415 . 38 TRP CZ3 C 120.658 0.1 1 416 . 38 TRP CH2 C 125.835 0.1 1 417 . 38 TRP N N 117.183 0.1 1 418 . 38 TRP NE1 N 129.302 0.1 1 419 . 39 LEU H H 7.992 0.02 1 420 . 39 LEU HA H 3.235 0.02 1 421 . 39 LEU HB2 H 1.257 0.02 2 422 . 39 LEU HB3 H 0.972 0.800 2 423 . 39 LEU HG H 0.790 0.02 1 424 . 39 LEU HD1 H 0.281 0.02 2 425 . 39 LEU HD2 H -0.640 0.010 2 426 . 39 LEU C C 177.392 0.009 1 427 . 39 LEU CA C 57.480 0.1 1 428 . 39 LEU CB C 42.838 0.1 1 429 . 39 LEU CG C 27.307 0.1 1 430 . 39 LEU CD1 C 26.984 0.1 1 431 . 39 LEU CD2 C 21.813 0.1 1 432 . 39 LEU N N 115.006 0.1 1 433 . 40 ARG H H 8.350 0.02 1 434 . 40 ARG HA H 4.132 0.02 1 435 . 40 ARG HB2 H 1.798 0.02 2 436 . 40 ARG HB3 H 1.921 0.02 2 437 . 40 ARG HG2 H 1.586 0.02 1 438 . 40 ARG HG3 H 1.586 0.02 1 439 . 40 ARG HD2 H 3.195 0.02 1 440 . 40 ARG HD3 H 3.195 0.02 1 441 . 40 ARG C C 173.983 0.1 1 442 . 40 ARG CA C 55.781 0.1 1 443 . 40 ARG CB C 29.249 0.1 1 444 . 40 ARG CG C 27.307 0.1 1 445 . 40 ARG CD C 44.132 0.1 1 446 . 40 ARG N N 112.805 0.1 1 447 . 41 PRO HA H 4.349 0.02 1 448 . 41 PRO HB2 H 2.088 0.02 1 449 . 41 PRO HB3 H 2.088 0.02 1 450 . 41 PRO HG2 H 1.986 0.02 1 451 . 41 PRO HG3 H 1.986 0.02 1 452 . 41 PRO HD2 H 3.999 0.02 2 453 . 41 PRO HD3 H 3.178 0.02 2 454 . 41 PRO C C 175.767 0.1 1 455 . 41 PRO CA C 64.116 0.1 1 456 . 41 PRO CB C 32.395 0.1 1 457 . 41 PRO CG C 27.631 0.1 1 458 . 41 PRO CD C 51.251 0.1 1 459 . 42 GLU H H 9.829 0.02 1 460 . 42 GLU HA H 4.193 0.02 1 461 . 42 GLU HB2 H 1.990 0.02 1 462 . 42 GLU HB3 H 1.990 0.02 1 463 . 42 GLU HG2 H 2.387 0.02 2 464 . 42 GLU HG3 H 2.284 0.02 2 465 . 42 GLU C C 177.761 0.1 1 466 . 42 GLU CA C 58.833 0.1 1 467 . 42 GLU CB C 28.300 0.1 1 468 . 42 GLU CG C 36.367 0.1 1 469 . 42 GLU N N 119.067 0.1 1 470 . 43 VAL H H 7.781 0.02 1 471 . 43 VAL HA H 4.425 0.02 1 472 . 43 VAL HB H 2.191 0.02 1 473 . 43 VAL HG1 H 0.901 0.02 2 474 . 43 VAL HG2 H 0.884 0.02 2 475 . 43 VAL C C 175.705 0.013 1 476 . 43 VAL CA C 62.230 0.1 1 477 . 43 VAL CB C 34.559 0.1 1 478 . 43 VAL CG1 C 21.813 0.1 1 479 . 43 VAL CG2 C 20.195 0.1 1 480 . 43 VAL N N 114.146 0.1 1 481 . 44 ARG H H 8.027 0.02 1 482 . 44 ARG HA H 4.631 0.02 1 483 . 44 ARG HB2 H 1.528 0.02 2 484 . 44 ARG HB3 H 1.703 0.02 2 485 . 44 ARG HG2 H 1.769 0.02 2 486 . 44 ARG HG3 H 1.479 0.02 2 487 . 44 ARG HD2 H 3.063 0.02 2 488 . 44 ARG HD3 H 2.772 0.02 2 489 . 44 ARG C C 175.478 0.014 1 490 . 44 ARG CA C 56.613 0.1 1 491 . 44 ARG CB C 32.607 0.1 1 492 . 44 ARG CG C 30.219 0.1 1 493 . 44 ARG CD C 43.485 0.1 1 494 . 44 ARG N N 122.120 0.1 1 495 . 45 SER H H 8.542 0.02 1 496 . 45 SER HA H 4.445 0.02 1 497 . 45 SER HB2 H 4.445 0.02 2 498 . 45 SER HB3 H 3.996 0.02 2 499 . 45 SER C C 175.730 0.1 1 500 . 45 SER CA C 56.667 0.1 1 501 . 45 SER CB C 65.805 0.1 1 502 . 45 SER N N 115.251 0.1 1 503 . 46 LYS H H 9.093 0.02 1 504 . 46 LYS HA H 3.790 0.02 1 505 . 46 LYS HB2 H 1.498 0.02 2 506 . 46 LYS HB3 H 1.873 0.02 2 507 . 46 LYS HG2 H 1.622 0.02 2 508 . 46 LYS HG3 H 1.168 0.02 2 509 . 46 LYS HD2 H 1.742 0.02 1 510 . 46 LYS HD3 H 1.742 0.02 1 511 . 46 LYS HE2 H 3.081 0.02 2 512 . 46 LYS HE3 H 2.984 0.02 2 513 . 46 LYS C C 178.369 0.1 1 514 . 46 LYS CA C 61.677 0.1 1 515 . 46 LYS CB C 33.500 0.1 1 516 . 46 LYS CG C 27.954 0.1 1 517 . 46 LYS CD C 30.867 0.1 1 518 . 46 LYS CE C 42.515 0.1 1 519 . 46 LYS N N 119.985 0.1 1 520 . 47 GLU H H 8.707 0.02 1 521 . 47 GLU HA H 3.833 0.02 1 522 . 47 GLU HB2 H 2.013 0.02 2 523 . 47 GLU HB3 H 1.939 0.02 2 524 . 47 GLU HG2 H 2.417 0.02 2 525 . 47 GLU HG3 H 2.220 0.02 2 526 . 47 GLU C C 179.223 0.1 1 527 . 47 GLU CA C 61.056 0.1 1 528 . 47 GLU CB C 29.282 0.1 1 529 . 47 GLU CG C 37.338 0.1 1 530 . 47 GLU N N 116.916 0.1 1 531 . 48 GLN H H 7.849 0.02 1 532 . 48 GLN HA H 3.952 0.02 1 533 . 48 GLN HB2 H 2.338 0.02 1 534 . 48 GLN HB3 H 2.338 0.02 1 535 . 48 GLN HG2 H 2.445 0.02 1 536 . 48 GLN HG3 H 2.445 0.02 1 537 . 48 GLN C C 180.153 0.1 1 538 . 48 GLN CA C 58.889 0.1 1 539 . 48 GLN CB C 29.652 0.1 1 540 . 48 GLN CG C 34.749 0.1 1 541 . 48 GLN N N 118.663 0.1 1 542 . 49 MET H H 8.241 0.02 1 543 . 49 MET HA H 3.662 0.02 1 544 . 49 MET HB2 H 2.220 0.02 2 545 . 49 MET HB3 H 1.664 0.02 2 546 . 49 MET HG2 H 2.149 0.02 2 547 . 49 MET HG3 H 2.595 0.02 2 548 . 49 MET HE H 1.774 0.02 1 549 . 49 MET C C 177.401 0.1 1 550 . 49 MET CA C 60.593 0.1 1 551 . 49 MET CB C 33.873 0.1 1 552 . 49 MET CG C 31.514 0.1 1 553 . 49 MET CE C 15.665 0.1 1 554 . 49 MET N N 119.016 0.1 1 555 . 50 LEU H H 8.048 0.02 1 556 . 50 LEU HA H 3.763 0.02 1 557 . 50 LEU HB2 H 1.756 0.02 1 558 . 50 LEU HB3 H 1.756 0.02 1 559 . 50 LEU HG H 1.819 0.02 1 560 . 50 LEU HD1 H 0.738 0.02 2 561 . 50 LEU C C 179.410 0.003 1 562 . 50 LEU CA C 59.701 0.1 1 563 . 50 LEU CB C 41.153 0.1 1 564 . 50 LEU CG C 28.925 0.1 1 565 . 50 LEU CD1 C 25.366 0.1 1 566 . 50 LEU N N 118.791 0.1 1 567 . 51 GLU H H 7.872 0.02 1 568 . 51 GLU HA H 4.073 0.02 1 569 . 51 GLU HB2 H 2.122 0.02 1 570 . 51 GLU HB3 H 2.122 0.02 1 571 . 51 GLU HG2 H 2.390 0.02 2 572 . 51 GLU HG3 H 2.259 0.02 2 573 . 51 GLU C C 179.223 0.1 1 574 . 51 GLU CA C 59.701 0.1 1 575 . 51 GLU CB C 30.549 0.1 1 576 . 51 GLU CG C 37.338 0.1 1 577 . 51 GLU N N 117.572 0.1 1 578 . 52 LEU H H 7.190 0.02 1 579 . 52 LEU HA H 4.190 0.02 1 580 . 52 LEU HB2 H 1.338 0.02 2 581 . 52 LEU HB3 H 1.765 0.02 2 582 . 52 LEU HG H 1.806 0.02 1 583 . 52 LEU HD1 H 0.667 0.02 2 584 . 52 LEU HD2 H 0.888 0.02 2 585 . 52 LEU C C 180.628 0.1 1 586 . 52 LEU CA C 58.508 0.1 1 587 . 52 LEU CB C 41.681 0.1 1 588 . 52 LEU CG C 27.631 0.1 1 589 . 52 LEU CD1 C 25.366 0.1 1 590 . 52 LEU CD2 C 23.101 0.1 1 591 . 52 LEU N N 118.755 0.1 1 592 . 53 LEU H H 7.569 0.02 1 593 . 53 LEU HA H 4.495 0.02 1 594 . 53 LEU HB2 H 1.690 0.02 2 595 . 53 LEU HB3 H 2.327 0.02 2 596 . 53 LEU HG H 1.809 0.02 1 597 . 53 LEU HD1 H 0.738 0.02 2 598 . 53 LEU HD2 H 0.999 0.02 2 599 . 53 LEU C C 181.539 0.1 1 600 . 53 LEU CA C 57.820 0.1 1 601 . 53 LEU CB C 42.261 0.1 1 602 . 53 LEU CG C 26.984 0.1 1 603 . 53 LEU CD1 C 27.631 0.1 1 604 . 53 LEU CD2 C 24.395 0.1 1 605 . 53 LEU N N 121.368 0.1 1 606 . 54 VAL H H 8.961 0.02 1 607 . 54 VAL HA H 3.716 0.001 1 608 . 54 VAL HB H 2.323 0.02 1 609 . 54 VAL HG1 H 0.905 0.02 2 610 . 54 VAL HG2 H 1.112 0.02 2 611 . 54 VAL C C 177.097 0.1 1 612 . 54 VAL CA C 67.962 0.1 1 613 . 54 VAL CB C 32.078 0.1 1 614 . 54 VAL CG1 C 21.813 0.1 1 615 . 54 VAL CG2 C 24.395 0.1 1 616 . 54 VAL N N 123.629 0.1 1 617 . 55 LEU H H 8.509 0.02 1 618 . 55 LEU HA H 3.935 0.02 1 619 . 55 LEU HB2 H 1.333 0.02 2 620 . 55 LEU HB3 H 2.266 0.02 2 621 . 55 LEU HG H 1.732 0.02 1 622 . 55 LEU HD1 H 0.814 0.02 2 623 . 55 LEU HD2 H 0.736 0.02 2 624 . 55 LEU C C 177.021 0.1 1 625 . 55 LEU CA C 58.996 0.1 1 626 . 55 LEU CB C 42.578 0.1 1 627 . 55 LEU CG C 26.660 0.1 1 628 . 55 LEU CD1 C 26.013 0.1 1 629 . 55 LEU CD2 C 23.425 0.1 1 630 . 55 LEU N N 120.961 0.1 1 631 . 56 GLU H H 7.747 0.02 1 632 . 56 GLU HA H 4.037 0.02 1 633 . 56 GLU HB2 H 2.471 0.02 1 634 . 56 GLU HB3 H 2.471 0.02 1 635 . 56 GLU HG2 H 2.139 0.02 1 636 . 56 GLU HG3 H 2.139 0.02 1 637 . 56 GLU C C 178.957 0.1 1 638 . 56 GLU CA C 59.808 0.1 1 639 . 56 GLU CB C 30.180 0.1 1 640 . 56 GLU CG C 37.014 0.1 1 641 . 56 GLU N N 116.527 0.1 1 642 . 57 GLN H H 7.918 0.02 1 643 . 57 GLN HA H 3.969 0.02 1 644 . 57 GLN HB2 H 1.742 0.02 2 645 . 57 GLN HB3 H 1.663 0.02 2 646 . 57 GLN HG2 H 1.279 0.02 2 647 . 57 GLN HG3 H 1.838 0.02 2 648 . 57 GLN HE21 H 6.673 0.02 2 649 . 57 GLN HE22 H 6.443 0.02 2 650 . 57 GLN C C 176.661 0.001 1 651 . 57 GLN CA C 57.615 0.1 1 652 . 57 GLN CB C 29.863 0.1 1 653 . 57 GLN CG C 34.102 0.1 1 654 . 57 GLN N N 119.045 0.1 1 655 . 57 GLN NE2 N 114.907 0.1 1 656 . 58 PHE H H 9.154 0.02 1 657 . 58 PHE HA H 3.992 0.02 1 658 . 58 PHE HB2 H 3.051 0.02 2 659 . 58 PHE HB3 H 3.102 0.02 2 660 . 58 PHE HD1 H 6.917 0.02 1 661 . 58 PHE HD2 H 6.917 0.02 1 662 . 58 PHE HE1 H 7.048 0.02 1 663 . 58 PHE HE2 H 7.048 0.02 1 664 . 58 PHE HZ H 6.891 0.02 1 665 . 58 PHE C C 176.657 0.1 1 666 . 58 PHE CA C 61.732 0.1 1 667 . 58 PHE CB C 39.888 0.1 1 668 . 58 PHE CD1 C 131.530 0.1 1 669 . 58 PHE CE1 C 131.012 0.1 1 670 . 58 PHE CZ C 128.400 0.1 1 671 . 58 PHE N N 120.251 0.1 1 672 . 59 LEU H H 8.134 0.02 1 673 . 59 LEU HA H 3.752 0.02 1 674 . 59 LEU HB2 H 1.930 0.02 2 675 . 59 LEU HB3 H 1.369 0.02 2 676 . 59 LEU HG H 1.996 0.02 1 677 . 59 LEU HD1 H 0.933 0.02 2 678 . 59 LEU HD2 H 0.796 0.02 2 679 . 59 LEU C C 179.907 0.1 1 680 . 59 LEU CA C 57.750 0.1 1 681 . 59 LEU CB C 41.681 0.1 1 682 . 59 LEU CG C 27.631 0.1 1 683 . 59 LEU CD1 C 26.013 0.1 1 684 . 59 LEU CD2 C 23.975 0.1 1 685 . 59 LEU N N 115.071 0.1 1 686 . 60 GLY H H 7.775 0.02 1 687 . 60 GLY HA2 H 3.757 0.02 2 688 . 60 GLY HA3 H 3.788 0.02 2 689 . 60 GLY C C 174.382 0.1 1 690 . 60 GLY CA C 46.536 0.1 1 691 . 60 GLY N N 104.103 0.1 1 692 . 61 ALA H H 7.614 0.02 1 693 . 61 ALA HA H 4.497 0.02 1 694 . 61 ALA HB H 1.612 0.02 1 695 . 61 ALA C C 177.521 0.006 1 696 . 61 ALA CA C 51.899 0.1 1 697 . 61 ALA CB C 20.524 0.1 1 698 . 61 ALA N N 121.422 0.1 1 699 . 62 LEU H H 6.934 0.02 1 700 . 62 LEU HA H 4.066 0.02 1 701 . 62 LEU HB2 H 1.544 0.02 2 702 . 62 LEU HB3 H 0.918 0.02 2 703 . 62 LEU HG H 1.874 0.02 1 704 . 62 LEU HD1 H 0.540 0.02 2 705 . 62 LEU HD2 H -0.073 0.02 2 706 . 62 LEU C C 174.059 0.1 1 707 . 62 LEU CA C 53.192 0.1 1 708 . 62 LEU CB C 41.544 0.1 1 709 . 62 LEU CG C 25.042 0.1 1 710 . 62 LEU CD1 C 26.337 0.1 1 711 . 62 LEU CD2 C 21.489 0.1 1 712 . 62 LEU N N 119.172 0.1 1 713 . 63 PRO HA H 4.765 0.02 1 714 . 63 PRO HB2 H 2.582 0.02 2 715 . 63 PRO HB3 H 2.034 0.02 2 716 . 63 PRO HG2 H 2.284 0.02 2 717 . 63 PRO HG3 H 2.099 0.02 2 718 . 63 PRO HD2 H 3.818 0.02 2 719 . 63 PRO HD3 H 3.236 0.02 2 720 . 63 PRO CA C 61.928 0.1 1 721 . 63 PRO CB C 31.190 0.1 1 722 . 63 PRO CG C 28.278 0.1 1 723 . 63 PRO CD C 50.604 0.1 1 724 . 64 PRO HA H 4.161 0.02 1 725 . 64 PRO HB2 H 2.399 0.02 2 726 . 64 PRO HB3 H 1.988 0.02 2 727 . 64 PRO HG2 H 2.187 0.02 2 728 . 64 PRO HG3 H 2.101 0.02 2 729 . 64 PRO HD2 H 3.897 0.02 2 730 . 64 PRO HD3 H 3.835 0.02 2 731 . 64 PRO C C 178.616 0.1 1 732 . 64 PRO CA C 66.363 0.1 1 733 . 64 PRO CB C 32.607 0.1 1 734 . 64 PRO CG C 28.200 0.1 1 735 . 64 PRO CD C 50.927 0.1 1 736 . 65 GLU H H 9.547 0.02 1 737 . 65 GLU HA H 4.151 0.02 1 738 . 65 GLU HB2 H 2.045 0.02 1 739 . 65 GLU HB3 H 2.045 0.02 1 740 . 65 GLU HG2 H 2.338 0.02 1 741 . 65 GLU HG3 H 2.338 0.02 1 742 . 65 GLU C C 178.768 0.1 1 743 . 65 GLU CA C 59.944 0.1 1 744 . 65 GLU CB C 28.966 0.1 1 745 . 65 GLU CG C 36.691 0.1 1 746 . 65 GLU N N 117.560 0.1 1 747 . 66 ILE H H 7.361 0.02 1 748 . 66 ILE HA H 4.010 0.02 1 749 . 66 ILE HB H 1.815 0.02 1 750 . 66 ILE HG12 H 1.165 0.02 2 751 . 66 ILE HG13 H 1.577 0.02 2 752 . 66 ILE HG2 H 0.898 0.02 1 753 . 66 ILE HD1 H 0.878 0.02 1 754 . 66 ILE C C 177.230 0.1 1 755 . 66 ILE CA C 63.385 0.1 1 756 . 66 ILE CB C 38.780 0.1 1 757 . 66 ILE CG1 C 28.278 0.1 1 758 . 66 ILE CG2 C 19.224 0.1 1 759 . 66 ILE CD1 C 12.753 0.1 1 760 . 66 ILE N N 117.183 0.1 1 761 . 67 GLN H H 8.498 0.02 1 762 . 67 GLN HA H 3.561 0.02 1 763 . 67 GLN HB2 H 2.056 0.02 2 764 . 67 GLN HB3 H 1.950 0.02 2 765 . 67 GLN HG2 H 2.052 0.02 2 766 . 67 GLN HG3 H 2.374 0.003 2 767 . 67 GLN HE21 H 7.621 0.02 2 768 . 67 GLN HE22 H 6.714 0.02 2 769 . 67 GLN C C 177.799 0.1 1 770 . 67 GLN CA C 60.675 0.1 1 771 . 67 GLN CB C 29.705 0.1 1 772 . 67 GLN CG C 34.426 0.1 1 773 . 67 GLN N N 120.823 0.1 1 774 . 67 GLN NE2 N 112.445 0.003 1 775 . 68 ALA H H 8.082 0.02 1 776 . 68 ALA HA H 4.132 0.02 1 777 . 68 ALA HB H 1.446 0.02 1 778 . 68 ALA C C 180.704 0.1 1 779 . 68 ALA CA C 55.312 0.1 1 780 . 68 ALA CB C 18.625 0.1 1 781 . 68 ALA N N 118.446 0.1 1 782 . 69 ARG H H 7.356 0.02 1 783 . 69 ARG HA H 4.182 0.02 1 784 . 69 ARG HB2 H 1.995 0.02 2 785 . 69 ARG HB3 H 1.916 0.02 2 786 . 69 ARG HG2 H 1.833 0.02 2 787 . 69 ARG HG3 H 1.744 0.02 2 788 . 69 ARG HD2 H 3.244 0.02 1 789 . 69 ARG HD3 H 3.244 0.02 1 790 . 69 ARG C C 178.578 0.1 1 791 . 69 ARG CA C 58.265 0.1 1 792 . 69 ARG CB C 31.190 0.1 1 793 . 69 ARG CG C 27.631 0.1 1 794 . 69 ARG CD C 43.809 0.1 1 795 . 69 ARG N N 117.121 0.1 1 796 . 70 VAL H H 7.966 0.02 1 797 . 70 VAL HA H 3.797 0.02 1 798 . 70 VAL HB H 1.965 0.02 1 799 . 70 VAL HG1 H 0.870 0.02 1 800 . 70 VAL HG2 H 0.870 0.02 1 801 . 70 VAL C C 177.685 0.1 1 802 . 70 VAL CA C 65.632 0.1 1 803 . 70 VAL CB C 32.551 0.1 1 804 . 70 VAL CG1 C 22.460 0.1 1 805 . 70 VAL N N 117.892 0.1 1 806 . 71 GLN H H 8.577 0.02 1 807 . 71 GLN HA H 3.973 0.02 1 808 . 71 GLN HB2 H 2.094 0.02 1 809 . 71 GLN HB3 H 2.094 0.02 1 810 . 71 GLN HG2 H 2.400 0.02 1 811 . 71 GLN HG3 H 2.400 0.02 1 812 . 71 GLN HE21 H 7.257 0.02 2 813 . 71 GLN HE22 H 6.696 0.02 2 814 . 71 GLN C C 179.565 0.1 1 815 . 71 GLN CA C 59.375 0.1 1 816 . 71 GLN CB C 28.702 0.1 1 817 . 71 GLN CG C 34.426 0.1 1 818 . 71 GLN N N 118.938 0.1 1 819 . 71 GLN NE2 N 110.681 0.001 1 820 . 72 GLY H H 8.067 0.02 1 821 . 72 GLY HA2 H 3.951 0.02 1 822 . 72 GLY HA3 H 3.951 0.02 1 823 . 72 GLY C C 174.667 0.1 1 824 . 72 GLY CA C 46.374 0.1 1 825 . 72 GLY N N 106.656 0.1 1 826 . 73 GLN H H 7.462 0.02 1 827 . 73 GLN HA H 4.327 0.02 1 828 . 73 GLN HB2 H 2.299 0.02 1 829 . 73 GLN HB3 H 2.299 0.02 1 830 . 73 GLN HG2 H 2.438 0.02 1 831 . 73 GLN HG3 H 2.438 0.02 1 832 . 73 GLN HE21 H 7.486 0.02 2 833 . 73 GLN HE22 H 6.899 0.02 2 834 . 73 GLN C C 175.104 0.1 1 835 . 73 GLN CA C 55.718 0.1 1 836 . 73 GLN CB C 29.570 0.1 1 837 . 73 GLN CG C 34.426 0.1 1 838 . 73 GLN N N 118.051 0.1 1 839 . 73 GLN NE2 N 112.327 0.1 1 840 . 74 ARG H H 8.017 0.02 1 841 . 74 ARG HA H 4.315 0.02 1 842 . 74 ARG HB2 H 1.764 0.02 2 843 . 74 ARG HB3 H 1.710 0.02 2 844 . 74 ARG HG2 H 1.528 0.02 1 845 . 74 ARG HG3 H 1.528 0.02 1 846 . 74 ARG HD2 H 3.271 0.02 2 847 . 74 ARG HD3 H 3.145 0.02 2 848 . 74 ARG C C 173.053 0.1 1 849 . 74 ARG CA C 55.457 0.1 1 850 . 74 ARG CB C 28.925 0.1 1 851 . 74 ARG CG C 26.013 0.1 1 852 . 74 ARG CD C 43.485 0.1 1 853 . 74 ARG N N 116.417 0.1 1 854 . 75 PRO HA H 4.462 0.02 1 855 . 75 PRO HB2 H 1.886 0.02 2 856 . 75 PRO HB3 H 1.990 0.02 2 857 . 75 PRO HG2 H 2.105 0.02 2 858 . 75 PRO HG3 H 1.749 0.02 2 859 . 75 PRO HD2 H 3.599 0.02 2 860 . 75 PRO HD3 H 3.661 0.02 2 861 . 75 PRO C C 177.538 0.1 1 862 . 75 PRO CA C 62.992 0.1 1 863 . 75 PRO CB C 32.184 0.1 1 864 . 75 PRO CG C 28.278 0.1 1 865 . 75 PRO CD C 50.604 0.1 1 866 . 76 GLY H H 8.920 0.02 1 867 . 76 GLY HA2 H 4.280 0.02 2 868 . 76 GLY HA3 H 3.819 0.02 2 869 . 76 GLY C C 173.655 0.013 1 870 . 76 GLY CA C 45.426 0.1 1 871 . 76 GLY N N 107.400 0.1 1 872 . 77 SER H H 7.454 0.02 1 873 . 77 SER HA H 5.020 0.02 1 874 . 77 SER HB2 H 4.309 0.02 2 875 . 77 SER HB3 H 3.993 0.02 2 876 . 77 SER C C 172.920 0.1 1 877 . 77 SER CA C 55.781 0.1 1 878 . 77 SER CB C 64.835 0.1 1 879 . 77 SER N N 111.468 0.1 1 880 . 78 PRO HA H 3.979 0.02 1 881 . 78 PRO HB2 H 2.097 0.02 2 882 . 78 PRO HB3 H 1.908 0.02 2 883 . 78 PRO HG2 H 1.822 0.02 2 884 . 78 PRO HG3 H 2.536 0.02 2 885 . 78 PRO HD2 H 4.133 0.02 2 886 . 78 PRO HD3 H 3.806 0.02 2 887 . 78 PRO C C 176.962 0.1 1 888 . 78 PRO CA C 66.416 0.1 1 889 . 78 PRO CB C 32.800 0.1 1 890 . 78 PRO CG C 28.602 0.1 1 891 . 78 PRO CD C 51.574 0.1 1 892 . 79 GLU H H 8.930 0.02 1 893 . 79 GLU HA H 3.798 0.02 1 894 . 79 GLU HB2 H 2.016 0.02 2 895 . 79 GLU HB3 H 1.918 0.02 2 896 . 79 GLU HG2 H 2.224 0.02 2 897 . 79 GLU HG3 H 2.465 0.02 2 898 . 79 GLU C C 179.755 0.1 1 899 . 79 GLU CA C 61.108 0.1 1 900 . 79 GLU CB C 29.019 0.1 1 901 . 79 GLU CG C 37.661 0.1 1 902 . 79 GLU N N 117.416 0.1 1 903 . 80 GLU H H 7.829 0.02 1 904 . 80 GLU HA H 4.087 0.02 1 905 . 80 GLU HB2 H 2.113 0.02 1 906 . 80 GLU HB3 H 2.113 0.02 1 907 . 80 GLU HG2 H 2.390 0.02 2 908 . 80 GLU HG3 H 2.270 0.02 2 909 . 80 GLU C C 179.033 0.1 1 910 . 80 GLU CA C 59.294 0.1 1 911 . 80 GLU CB C 30.971 0.1 1 912 . 80 GLU CG C 37.014 0.1 1 913 . 80 GLU N N 120.836 0.1 1 914 . 81 ALA H H 7.947 0.02 1 915 . 81 ALA HA H 3.936 0.02 1 916 . 81 ALA HB H 1.405 0.02 1 917 . 81 ALA C C 178.502 0.1 1 918 . 81 ALA CA C 55.529 0.1 1 919 . 81 ALA CB C 18.889 0.1 1 920 . 81 ALA N N 121.296 0.1 1 921 . 82 ALA H H 8.507 0.02 1 922 . 82 ALA HA H 3.924 0.02 1 923 . 82 ALA HB H 1.247 0.02 1 924 . 82 ALA C C 178.938 0.1 1 925 . 82 ALA CA C 55.557 0.1 1 926 . 82 ALA CB C 18.247 0.1 1 927 . 82 ALA N N 119.752 0.1 1 928 . 83 ALA H H 7.760 0.02 1 929 . 83 ALA HA H 4.241 0.02 1 930 . 83 ALA HB H 1.522 0.02 1 931 . 83 ALA C C 181.274 0.1 1 932 . 83 ALA CA C 55.124 0.1 1 933 . 83 ALA CB C 18.309 0.1 1 934 . 83 ALA N N 120.219 0.1 1 935 . 84 LEU H H 7.833 0.02 1 936 . 84 LEU HA H 4.192 0.02 1 937 . 84 LEU HB2 H 1.466 0.02 2 938 . 84 LEU HB3 H 2.120 0.02 2 939 . 84 LEU HG H 1.934 0.02 1 940 . 84 LEU HD1 H 0.930 0.02 2 941 . 84 LEU HD2 H 0.913 0.02 2 942 . 84 LEU C C 179.755 0.1 1 943 . 84 LEU CA C 57.588 0.1 1 944 . 84 LEU CB C 43.000 0.1 1 945 . 84 LEU CG C 26.984 0.1 1 946 . 84 LEU CD1 C 26.660 0.1 1 947 . 84 LEU CD2 C 23.425 0.1 1 948 . 84 LEU N N 119.617 0.1 1 949 . 85 VAL H H 7.903 0.02 1 950 . 85 VAL HA H 3.487 0.02 1 951 . 85 VAL HB H 2.270 0.02 1 952 . 85 VAL HG1 H 1.094 0.02 2 953 . 85 VAL HG2 H 0.982 0.02 2 954 . 85 VAL C C 178.293 0.1 1 955 . 85 VAL CA C 67.149 0.1 1 956 . 85 VAL CB C 32.132 0.1 1 957 . 85 VAL CG1 C 24.719 0.1 1 958 . 85 VAL CG2 C 21.813 0.1 1 959 . 85 VAL N N 119.427 0.1 1 960 . 86 ASP H H 8.391 0.02 1 961 . 86 ASP HA H 4.562 0.02 1 962 . 86 ASP HB2 H 2.804 0.02 2 963 . 86 ASP HB3 H 2.719 0.02 2 964 . 86 ASP C C 178.749 0.1 1 965 . 86 ASP CA C 57.398 0.1 1 966 . 86 ASP CB C 41.554 0.1 1 967 . 86 ASP N N 120.250 0.1 1 968 . 87 GLY H H 7.966 0.02 1 969 . 87 GLY HA2 H 3.976 0.02 1 970 . 87 GLY HA3 H 3.976 0.02 1 971 . 87 GLY C C 175.540 0.1 1 972 . 87 GLY CA C 46.397 0.1 1 973 . 87 GLY N N 105.358 0.1 1 974 . 88 LEU H H 7.645 0.02 1 975 . 88 LEU HA H 4.310 0.02 1 976 . 88 LEU HB2 H 1.848 0.02 2 977 . 88 LEU HB3 H 1.569 0.02 2 978 . 88 LEU HG H 1.934 0.02 1 979 . 88 LEU HD1 H 0.867 0.02 2 980 . 88 LEU HD2 H 0.866 0.02 2 981 . 88 LEU C C 178.141 0.1 1 982 . 88 LEU CA C 56.180 0.1 1 983 . 88 LEU CB C 42.420 0.1 1 984 . 88 LEU CG C 26.660 0.1 1 985 . 88 LEU CD1 C 26.660 0.1 1 986 . 88 LEU CD2 C 23.101 0.1 1 987 . 88 LEU N N 120.596 0.1 1 988 . 89 ARG H H 7.804 0.02 1 989 . 89 ARG HA H 4.326 0.02 1 990 . 89 ARG HB2 H 1.973 0.02 1 991 . 89 ARG HB3 H 1.973 0.02 1 992 . 89 ARG HG2 H 1.822 0.02 2 993 . 89 ARG HG3 H 1.753 0.02 2 994 . 89 ARG HD2 H 3.322 0.02 1 995 . 89 ARG HD3 H 3.322 0.02 1 996 . 89 ARG C C 176.546 0.1 1 997 . 89 ARG CA C 57.000 0.1 1 998 . 89 ARG CB C 30.867 0.1 1 999 . 89 ARG CG C 27.631 0.1 1 1000 . 89 ARG CD C 44.132 0.1 1 1001 . 89 ARG N N 119.441 0.1 1 1002 . 90 ARG H H 8.002 0.02 1 1003 . 90 ARG HA H 4.366 0.02 1 1004 . 90 ARG HB2 H 1.897 0.02 2 1005 . 90 ARG HB3 H 1.799 0.02 2 1006 . 90 ARG HG2 H 1.680 0.02 1 1007 . 90 ARG HG3 H 1.680 0.02 1 1008 . 90 ARG HD2 H 3.221 0.02 1 1009 . 90 ARG HD3 H 3.221 0.02 1 1010 . 90 ARG C C 176.262 0.1 1 1011 . 90 ARG CA C 56.287 0.1 1 1012 . 90 ARG CB C 31.474 0.1 1 1013 . 90 ARG CG C 27.307 0.1 1 1014 . 90 ARG CD C 43.485 0.1 1 1015 . 90 ARG N N 120.990 0.1 1 1016 . 91 GLU H H 8.249 0.02 1 1017 . 91 GLU HA H 4.588 0.02 1 1018 . 91 GLU HB2 H 2.058 0.02 2 1019 . 91 GLU HB3 H 1.935 0.02 2 1020 . 91 GLU HG2 H 2.304 0.02 1 1021 . 91 GLU HG3 H 2.304 0.02 1 1022 . 91 GLU C C 174.819 0.1 1 1023 . 91 GLU CA C 55.134 0.1 1 1024 . 91 GLU CB C 29.896 0.1 1 1025 . 91 GLU CG C 36.367 0.1 1 1026 . 91 GLU N N 123.255 0.1 1 1027 . 92 PRO HA H 4.437 0.02 1 1028 . 92 PRO HB2 H 2.312 0.02 2 1029 . 92 PRO HB3 H 1.981 0.02 2 1030 . 92 PRO HG2 H 2.067 0.02 1 1031 . 92 PRO HG3 H 2.067 0.02 1 1032 . 92 PRO HD2 H 3.822 0.02 2 1033 . 92 PRO HD3 H 3.732 0.02 2 1034 . 92 PRO C C 177.819 0.1 1 1035 . 92 PRO CA C 63.955 0.1 1 1036 . 92 PRO CB C 32.161 0.1 1 1037 . 92 PRO CG C 27.631 0.1 1 1038 . 92 PRO CD C 50.927 0.1 1 1039 . 93 GLY H H 8.491 0.02 1 1040 . 93 GLY HA2 H 3.967 0.02 1 1041 . 93 GLY HA3 H 3.967 0.02 1 1042 . 93 GLY C C 173.926 0.1 1 1043 . 93 GLY CA C 45.561 0.1 1 1044 . 93 GLY N N 109.934 0.1 1 1045 . 94 GLY H H 7.940 0.004 1 1046 . 94 GLY HA2 H 3.838 0.02 1 1047 . 94 GLY HA3 H 3.838 0.02 1 1048 . 94 GLY C C 179.299 0.1 1 1049 . 94 GLY CA C 44.132 0.1 1 1050 . 94 GLY N N 115.438 0.1 1 stop_ save_