data_10034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Fibronectin type III domain derived from human KIAA0970 protein ; _BMRB_accession_number 10034 _BMRB_flat_file_name bmr10034.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Hayashi F. . . 5 Kigawa T. . . 6 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" 761 "13C chemical shifts" 577 "15N chemical shifts" 134 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 Fibronectin type III domain derived from human KIAA0970 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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Hayashi F. . . 5 Kigawa T. . . 6 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 'KIAA0970 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA0970 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 'Fibronectin type3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GSSGSSGDEETKAFEALLSN IVKPVASDIQARTVVLTWSP PSSLINGETDESSVPELYGY EVLISSTGKDGKYKSVYVGE ETNITLNDLKPAMDYHAKVQ AEYNSIKGTPSEAEIFTTLS CEPDIPNPPRISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 GLU 10 GLU 11 THR 12 LYS 13 ALA 14 PHE 15 GLU 16 ALA 17 LEU 18 LEU 19 SER 20 ASN 21 ILE 22 VAL 23 LYS 24 PRO 25 VAL 26 ALA 27 SER 28 ASP 29 ILE 30 GLN 31 ALA 32 ARG 33 THR 34 VAL 35 VAL 36 LEU 37 THR 38 TRP 39 SER 40 PRO 41 PRO 42 SER 43 SER 44 LEU 45 ILE 46 ASN 47 GLY 48 GLU 49 THR 50 ASP 51 GLU 52 SER 53 SER 54 VAL 55 PRO 56 GLU 57 LEU 58 TYR 59 GLY 60 TYR 61 GLU 62 VAL 63 LEU 64 ILE 65 SER 66 SER 67 THR 68 GLY 69 LYS 70 ASP 71 GLY 72 LYS 73 TYR 74 LYS 75 SER 76 VAL 77 TYR 78 VAL 79 GLY 80 GLU 81 GLU 82 THR 83 ASN 84 ILE 85 THR 86 LEU 87 ASN 88 ASP 89 LEU 90 LYS 91 PRO 92 ALA 93 MET 94 ASP 95 TYR 96 HIS 97 ALA 98 LYS 99 VAL 100 GLN 101 ALA 102 GLU 103 TYR 104 ASN 105 SER 106 ILE 107 LYS 108 GLY 109 THR 110 PRO 111 SER 112 GLU 113 ALA 114 GLU 115 ILE 116 PHE 117 THR 118 THR 119 LEU 120 SER 121 CYS 122 GLU 123 PRO 124 ASP 125 ILE 126 PRO 127 ASN 128 PRO 129 PRO 130 ARG 131 ILE 132 SER 133 GLY 134 PRO 135 SER 136 SER 137 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1WK0 "Solution Structure Of Fibronectin Type Iii Domain Derived From Human Kiaa0970 Protein" 100.00 137 100.00 100.00 6.29e-92 DBJ BAA76814 "KIAA0970 protein [Homo sapiens]" 91.24 1151 99.20 100.00 8.41e-75 DBJ BAG11267 "fibronectin type III domain-containing protein 3a [synthetic construct]" 91.24 1142 99.20 100.00 9.20e-75 DBJ BAG63723 "unnamed protein product [Homo sapiens]" 91.24 1142 99.20 100.00 9.20e-75 EMBL CAG44602 "human gene expressed in odontoblast protein [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 EMBL CAG44603 "human gene expressed in odontoblast protein [Homo sapiens]" 91.24 1134 99.20 100.00 7.99e-75 EMBL CAH90829 "hypothetical protein [Pongo abelii]" 91.24 1142 97.60 99.20 1.51e-73 EMBL CAI45989 "hypothetical protein [Homo sapiens]" 91.24 1198 99.20 100.00 1.09e-74 GB AAI32813 "FNDC3A protein [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 GB AAI36618 "FNDC3A protein [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 GB AAI44302 "FNDC3A protein [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 GB EAX08803 "fibronectin type III domain containing 3A, isoform CRA_a [Homo sapiens]" 91.24 1154 99.20 100.00 8.23e-75 GB EAX08804 "fibronectin type III domain containing 3A, isoform CRA_b [Homo sapiens]" 91.24 1142 99.20 100.00 9.20e-75 REF NP_001073141 "fibronectin type-III domain-containing protein 3A isoform 1 [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 REF NP_001125472 "fibronectin type-III domain-containing protein 3A [Pongo abelii]" 91.24 1142 97.60 99.20 1.51e-73 REF NP_001265367 "fibronectin type-III domain-containing protein 3A isoform 1 [Homo sapiens]" 91.24 1198 99.20 100.00 1.11e-74 REF NP_055738 "fibronectin type-III domain-containing protein 3A isoform 2 [Homo sapiens]" 91.24 1142 99.20 100.00 9.20e-75 REF XP_001152472 "PREDICTED: fibronectin type-III domain-containing protein 3A isoform X3 [Pan troglodytes]" 91.24 1142 98.40 99.20 8.70e-74 SP Q5RBN1 "RecName: Full=Fibronectin type-III domain-containing protein 3A" 91.24 1142 97.60 99.20 1.51e-73 SP Q9Y2H6 "RecName: Full=Fibronectin type-III domain-containing protein 3A; AltName: Full=Human gene expressed in odontoblasts" 91.24 1198 99.20 100.00 1.11e-74 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 P030723-24 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 1.11 mM '[U-13C; U-15N]' Phosphate 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 20020425 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 Varian _Model UNITY _Field_strength 900 _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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 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 'KIAA0970 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 2 2 SER HA H 4.573 0.030 1 2 2 2 SER HB2 H 3.914 0.030 1 3 2 2 SER HB3 H 3.914 0.030 1 4 2 2 SER C C 174.879 0.300 1 5 2 2 SER CA C 58.386 0.300 1 6 2 2 SER CB C 63.976 0.300 1 7 3 3 SER H H 8.595 0.030 1 8 3 3 SER HA H 4.523 0.030 1 9 3 3 SER HB2 H 3.928 0.030 1 10 3 3 SER HB3 H 3.928 0.030 1 11 3 3 SER C C 175.058 0.300 1 12 3 3 SER CA C 58.604 0.300 1 13 3 3 SER CB C 63.791 0.300 1 14 3 3 SER N N 118.076 0.300 1 15 4 4 GLY H H 8.488 0.030 1 16 4 4 GLY HA2 H 4.050 0.030 1 17 4 4 GLY HA3 H 4.050 0.030 1 18 4 4 GLY C C 174.260 0.300 1 19 4 4 GLY CA C 45.448 0.300 1 20 4 4 GLY N N 111.041 0.300 1 21 5 5 SER H H 8.298 0.030 1 22 5 5 SER HA H 4.573 0.030 1 23 5 5 SER HB2 H 3.907 0.030 1 24 5 5 SER HB3 H 3.907 0.030 1 25 5 5 SER C C 174.870 0.300 1 26 5 5 SER CA C 58.266 0.300 1 27 5 5 SER CB C 64.037 0.300 1 28 5 5 SER N N 115.919 0.300 1 29 6 6 SER H H 8.566 0.030 1 30 6 6 SER HA H 4.530 0.030 1 31 6 6 SER HB2 H 3.935 0.030 1 32 6 6 SER HB3 H 3.935 0.030 1 33 6 6 SER C C 175.128 0.300 1 34 6 6 SER CA C 58.739 0.300 1 35 6 6 SER CB C 63.939 0.300 1 36 6 6 SER N N 118.195 0.300 1 37 7 7 GLY H H 8.541 0.030 1 38 7 7 GLY HA2 H 4.064 0.030 1 39 7 7 GLY HA3 H 4.064 0.030 1 40 7 7 GLY C C 174.440 0.300 1 41 7 7 GLY CA C 45.689 0.300 1 42 7 7 GLY N N 111.020 0.300 1 43 8 8 ASP H H 8.321 0.030 1 44 8 8 ASP HA H 4.627 0.030 1 45 8 8 ASP HB2 H 2.756 0.030 1 46 8 8 ASP HB3 H 2.756 0.030 1 47 8 8 ASP C C 177.151 0.300 1 48 8 8 ASP CA C 55.194 0.300 1 49 8 8 ASP CB C 41.184 0.300 1 50 8 8 ASP N N 120.953 0.300 1 51 9 9 GLU H H 8.654 0.030 1 52 9 9 GLU HA H 4.071 0.030 1 53 9 9 GLU HB2 H 2.076 0.030 1 54 9 9 GLU HB3 H 2.076 0.030 1 55 9 9 GLU HG2 H 2.366 0.030 1 56 9 9 GLU HG3 H 2.366 0.030 1 57 9 9 GLU C C 178.673 0.300 1 58 9 9 GLU CA C 59.167 0.300 1 59 9 9 GLU CB C 29.491 0.300 1 60 9 9 GLU CG C 36.521 0.300 1 61 9 9 GLU N N 120.630 0.300 1 62 10 10 GLU H H 8.548 0.030 1 63 10 10 GLU HA H 4.187 0.030 1 64 10 10 GLU HB2 H 2.133 0.030 1 65 10 10 GLU HB3 H 2.133 0.030 1 66 10 10 GLU HG2 H 2.327 0.030 1 67 10 10 GLU HG3 H 2.327 0.030 1 68 10 10 GLU C C 178.531 0.300 1 69 10 10 GLU CA C 59.066 0.300 1 70 10 10 GLU CB C 29.661 0.300 1 71 10 10 GLU CG C 36.793 0.300 1 72 10 10 GLU N N 121.095 0.300 1 73 11 11 THR H H 8.173 0.030 1 74 11 11 THR HA H 4.152 0.030 1 75 11 11 THR HB H 4.324 0.030 1 76 11 11 THR HG2 H 1.295 0.030 1 77 11 11 THR C C 176.144 0.300 1 78 11 11 THR CA C 66.178 0.300 1 79 11 11 THR CB C 68.787 0.300 1 80 11 11 THR CG2 C 22.070 0.300 1 81 11 11 THR N N 116.228 0.300 1 82 12 12 LYS H H 8.088 0.030 1 83 12 12 LYS HA H 4.176 0.030 1 84 12 12 LYS HB2 H 1.866 0.030 1 85 12 12 LYS HB3 H 1.866 0.030 1 86 12 12 LYS HG2 H 1.484 0.030 2 87 12 12 LYS HG3 H 1.578 0.030 2 88 12 12 LYS HD2 H 1.678 0.030 1 89 12 12 LYS HD3 H 1.678 0.030 1 90 12 12 LYS HE2 H 2.985 0.030 1 91 12 12 LYS HE3 H 2.985 0.030 1 92 12 12 LYS C C 179.130 0.300 1 93 12 12 LYS CA C 58.943 0.300 1 94 12 12 LYS CB C 32.190 0.300 1 95 12 12 LYS CG C 25.168 0.300 1 96 12 12 LYS CD C 28.970 0.300 1 97 12 12 LYS CE C 42.058 0.300 1 98 12 12 LYS N N 121.364 0.300 1 99 13 13 ALA H H 8.085 0.030 1 100 13 13 ALA HA H 4.234 0.030 1 101 13 13 ALA HB H 1.449 0.030 1 102 13 13 ALA C C 180.752 0.300 1 103 13 13 ALA CA C 54.871 0.300 1 104 13 13 ALA CB C 17.921 0.300 1 105 13 13 ALA N N 122.828 0.300 1 106 14 14 PHE H H 8.191 0.030 1 107 14 14 PHE HA H 4.473 0.030 1 108 14 14 PHE HB2 H 3.131 0.030 2 109 14 14 PHE HB3 H 3.344 0.030 2 110 14 14 PHE HD1 H 7.311 0.030 1 111 14 14 PHE HD2 H 7.311 0.030 1 112 14 14 PHE HE1 H 7.343 0.030 1 113 14 14 PHE HE2 H 7.343 0.030 1 114 14 14 PHE HZ H 7.224 0.030 1 115 14 14 PHE C C 177.848 0.300 1 116 14 14 PHE CA C 61.412 0.300 1 117 14 14 PHE CB C 39.123 0.300 1 118 14 14 PHE CD1 C 131.081 0.300 1 119 14 14 PHE CD2 C 131.081 0.300 1 120 14 14 PHE CE1 C 131.376 0.300 1 121 14 14 PHE CE2 C 131.376 0.300 1 122 14 14 PHE CZ C 130.112 0.300 1 123 14 14 PHE N N 119.498 0.300 1 124 15 15 GLU H H 8.783 0.030 1 125 15 15 GLU HA H 3.710 0.030 1 126 15 15 GLU HB2 H 2.114 0.030 2 127 15 15 GLU HB3 H 2.220 0.030 2 128 15 15 GLU HG2 H 2.295 0.030 2 129 15 15 GLU HG3 H 2.523 0.030 2 130 15 15 GLU C C 179.445 0.300 1 131 15 15 GLU CA C 60.796 0.300 1 132 15 15 GLU CB C 29.606 0.300 1 133 15 15 GLU CG C 37.249 0.300 1 134 15 15 GLU N N 119.809 0.300 1 135 16 16 ALA H H 7.948 0.030 1 136 16 16 ALA HA H 4.157 0.030 1 137 16 16 ALA HB H 1.512 0.030 1 138 16 16 ALA C C 180.015 0.300 1 139 16 16 ALA CA C 55.194 0.300 1 140 16 16 ALA CB C 17.948 0.300 1 141 16 16 ALA N N 122.165 0.300 1 142 17 17 LEU H H 7.636 0.030 1 143 17 17 LEU HA H 4.081 0.030 1 144 17 17 LEU HB2 H 1.765 0.030 2 145 17 17 LEU HB3 H 1.868 0.030 2 146 17 17 LEU HG H 1.548 0.030 1 147 17 17 LEU HD1 H 0.860 0.030 1 148 17 17 LEU HD2 H 0.854 0.030 1 149 17 17 LEU C C 179.320 0.300 1 150 17 17 LEU CA C 58.624 0.300 1 151 17 17 LEU CB C 42.171 0.300 1 152 17 17 LEU CG C 27.601 0.300 1 153 17 17 LEU CD1 C 24.990 0.300 2 154 17 17 LEU CD2 C 24.987 0.300 2 155 17 17 LEU N N 121.115 0.300 1 156 18 18 LEU H H 8.431 0.030 1 157 18 18 LEU HA H 3.638 0.030 1 158 18 18 LEU HB2 H 1.252 0.030 2 159 18 18 LEU HB3 H 1.661 0.030 2 160 18 18 LEU HG H 1.751 0.030 1 161 18 18 LEU HD1 H 0.788 0.030 1 162 18 18 LEU HD2 H 0.594 0.030 1 163 18 18 LEU C C 178.467 0.300 1 164 18 18 LEU CA C 57.120 0.300 1 165 18 18 LEU CB C 42.572 0.300 1 166 18 18 LEU CG C 26.812 0.300 1 167 18 18 LEU CD1 C 26.885 0.300 2 168 18 18 LEU CD2 C 23.382 0.300 2 169 18 18 LEU N N 116.726 0.300 1 170 19 19 SER H H 7.628 0.030 1 171 19 19 SER HA H 4.594 0.030 1 172 19 19 SER HB2 H 4.101 0.030 1 173 19 19 SER HB3 H 4.101 0.030 1 174 19 19 SER C C 173.993 0.300 1 175 19 19 SER CA C 59.970 0.300 1 176 19 19 SER CB C 63.513 0.300 1 177 19 19 SER N N 111.320 0.300 1 178 20 20 ASN H H 7.825 0.030 1 179 20 20 ASN HA H 4.946 0.030 1 180 20 20 ASN HB2 H 2.710 0.030 2 181 20 20 ASN HB3 H 3.430 0.030 2 182 20 20 ASN HD21 H 6.847 0.030 2 183 20 20 ASN HD22 H 7.669 0.030 2 184 20 20 ASN C C 173.282 0.300 1 185 20 20 ASN CA C 52.320 0.300 1 186 20 20 ASN CB C 37.046 0.300 1 187 20 20 ASN N N 123.346 0.300 1 188 20 20 ASN ND2 N 113.240 0.300 1 189 21 21 ILE H H 7.622 0.030 1 190 21 21 ILE HA H 4.702 0.030 1 191 21 21 ILE HB H 1.604 0.030 1 192 21 21 ILE HG12 H 1.699 0.030 2 193 21 21 ILE HG13 H 1.348 0.030 2 194 21 21 ILE HG2 H 1.018 0.030 1 195 21 21 ILE HD1 H 0.968 0.030 1 196 21 21 ILE C C 173.672 0.300 1 197 21 21 ILE CA C 59.105 0.300 1 198 21 21 ILE CB C 42.242 0.300 1 199 21 21 ILE CG1 C 28.962 0.300 1 200 21 21 ILE CG2 C 15.881 0.300 1 201 21 21 ILE CD1 C 15.483 0.300 1 202 21 21 ILE N N 121.037 0.300 1 203 22 22 VAL H H 8.050 0.030 1 204 22 22 VAL HA H 4.155 0.030 1 205 22 22 VAL HB H 2.208 0.030 1 206 22 22 VAL HG1 H 1.152 0.030 1 207 22 22 VAL HG2 H 1.044 0.030 1 208 22 22 VAL C C 174.822 0.300 1 209 22 22 VAL CA C 61.931 0.300 1 210 22 22 VAL CB C 32.974 0.300 1 211 22 22 VAL CG1 C 21.665 0.300 2 212 22 22 VAL CG2 C 21.179 0.300 2 213 22 22 VAL N N 126.098 0.300 1 214 23 23 LYS H H 7.989 0.030 1 215 23 23 LYS HA H 4.584 0.030 1 216 23 23 LYS HB2 H 1.740 0.030 2 217 23 23 LYS HB3 H 1.885 0.030 2 218 23 23 LYS HG2 H 1.498 0.030 2 219 23 23 LYS HG3 H 1.702 0.030 2 220 23 23 LYS HD2 H 1.629 0.030 2 221 23 23 LYS HD3 H 1.816 0.030 2 222 23 23 LYS HE2 H 3.102 0.030 2 223 23 23 LYS HE3 H 3.173 0.030 2 224 23 23 LYS C C 173.863 0.300 1 225 23 23 LYS CA C 54.771 0.300 1 226 23 23 LYS CB C 32.169 0.300 1 227 23 23 LYS CG C 22.240 0.300 1 228 23 23 LYS CD C 29.472 0.300 1 229 23 23 LYS CE C 41.730 0.300 1 230 23 23 LYS N N 122.065 0.300 1 231 24 24 PRO HA H 4.979 0.030 1 232 24 24 PRO HB2 H 1.841 0.030 2 233 24 24 PRO HB3 H 2.178 0.030 2 234 24 24 PRO HG2 H 1.559 0.030 2 235 24 24 PRO HG3 H 1.801 0.030 2 236 24 24 PRO HD2 H 3.912 0.030 2 237 24 24 PRO HD3 H 3.948 0.030 2 238 24 24 PRO C C 173.497 0.300 1 239 24 24 PRO CA C 62.298 0.300 1 240 24 24 PRO CB C 33.380 0.300 1 241 24 24 PRO CG C 27.244 0.300 1 242 24 24 PRO CD C 49.850 0.300 1 243 25 25 VAL H H 8.916 0.030 1 244 25 25 VAL HA H 4.415 0.030 1 245 25 25 VAL HB H 1.852 0.030 1 246 25 25 VAL HG1 H 0.857 0.030 1 247 25 25 VAL HG2 H 0.956 0.030 1 248 25 25 VAL C C 176.893 0.300 1 249 25 25 VAL CA C 61.035 0.300 1 250 25 25 VAL CB C 34.924 0.300 1 251 25 25 VAL CG1 C 21.403 0.300 2 252 25 25 VAL CG2 C 21.507 0.300 2 253 25 25 VAL N N 116.445 0.300 1 254 26 26 ALA H H 9.672 0.030 1 255 26 26 ALA HA H 5.325 0.030 1 256 26 26 ALA HB H 0.931 0.030 1 257 26 26 ALA C C 176.381 0.300 1 258 26 26 ALA CA C 50.418 0.300 1 259 26 26 ALA CB C 19.576 0.300 1 260 26 26 ALA N N 133.019 0.300 1 261 27 27 SER H H 9.587 0.030 1 262 27 27 SER HA H 4.515 0.030 1 263 27 27 SER HB2 H 3.594 0.030 2 264 27 27 SER HB3 H 3.879 0.030 2 265 27 27 SER C C 171.264 0.300 1 266 27 27 SER CA C 57.257 0.300 1 267 27 27 SER CB C 65.898 0.300 1 268 27 27 SER N N 118.718 0.300 1 269 28 28 ASP H H 8.632 0.030 1 270 28 28 ASP HA H 4.155 0.030 1 271 28 28 ASP HB2 H 2.337 0.030 2 272 28 28 ASP HB3 H 2.876 0.030 2 273 28 28 ASP C C 174.645 0.300 1 274 28 28 ASP CA C 54.441 0.300 1 275 28 28 ASP CB C 39.809 0.300 1 276 28 28 ASP N N 118.379 0.300 1 277 29 29 ILE H H 7.994 0.030 1 278 29 29 ILE HA H 3.711 0.030 1 279 29 29 ILE HB H 1.754 0.030 1 280 29 29 ILE HG12 H 0.786 0.030 2 281 29 29 ILE HG13 H 1.344 0.030 2 282 29 29 ILE HG2 H 1.145 0.030 1 283 29 29 ILE HD1 H 0.926 0.030 1 284 29 29 ILE C C 176.578 0.300 1 285 29 29 ILE CA C 63.891 0.300 1 286 29 29 ILE CB C 38.136 0.300 1 287 29 29 ILE CG1 C 28.790 0.300 1 288 29 29 ILE CG2 C 19.056 0.300 1 289 29 29 ILE CD1 C 14.567 0.300 1 290 29 29 ILE N N 117.688 0.300 1 291 30 30 GLN H H 8.432 0.030 1 292 30 30 GLN HA H 4.838 0.030 1 293 30 30 GLN HB2 H 2.123 0.030 2 294 30 30 GLN HB3 H 2.538 0.030 2 295 30 30 GLN HG2 H 2.303 0.030 1 296 30 30 GLN HG3 H 2.303 0.030 1 297 30 30 GLN HE21 H 6.610 0.030 2 298 30 30 GLN HE22 H 7.418 0.030 2 299 30 30 GLN C C 175.190 0.300 1 300 30 30 GLN CA C 54.047 0.300 1 301 30 30 GLN CB C 30.343 0.300 1 302 30 30 GLN CG C 33.525 0.300 1 303 30 30 GLN N N 128.714 0.300 1 304 30 30 GLN NE2 N 112.383 0.300 1 305 31 31 ALA H H 8.407 0.030 1 306 31 31 ALA HA H 4.696 0.030 1 307 31 31 ALA HB H 1.265 0.030 1 308 31 31 ALA C C 176.790 0.300 1 309 31 31 ALA CA C 54.793 0.300 1 310 31 31 ALA CB C 19.064 0.300 1 311 31 31 ALA N N 122.812 0.300 1 312 32 32 ARG H H 7.629 0.030 1 313 32 32 ARG HA H 4.592 0.030 1 314 32 32 ARG HB2 H 1.543 0.030 2 315 32 32 ARG HB3 H 2.201 0.030 2 316 32 32 ARG HG2 H 1.440 0.030 2 317 32 32 ARG HG3 H 1.647 0.030 2 318 32 32 ARG HD2 H 3.172 0.030 2 319 32 32 ARG HD3 H 3.322 0.030 2 320 32 32 ARG HE H 7.491 0.030 1 321 32 32 ARG C C 176.073 0.300 1 322 32 32 ARG CA C 54.331 0.300 1 323 32 32 ARG CB C 33.323 0.300 1 324 32 32 ARG CG C 28.404 0.300 1 325 32 32 ARG CD C 43.519 0.300 1 326 32 32 ARG N N 105.789 0.300 1 327 32 32 ARG NE N 118.645 0.300 1 328 33 33 THR H H 6.881 0.030 1 329 33 33 THR HA H 5.370 0.030 1 330 33 33 THR HB H 4.005 0.030 1 331 33 33 THR HG2 H 1.142 0.030 1 332 33 33 THR C C 171.827 0.300 1 333 33 33 THR CA C 59.088 0.300 1 334 33 33 THR CB C 72.832 0.300 1 335 33 33 THR CG2 C 21.629 0.300 1 336 33 33 THR N N 108.526 0.300 1 337 34 34 VAL H H 7.821 0.030 1 338 34 34 VAL HA H 4.322 0.030 1 339 34 34 VAL HB H 1.509 0.030 1 340 34 34 VAL HG1 H 0.340 0.030 1 341 34 34 VAL HG2 H 0.328 0.030 1 342 34 34 VAL C C 171.882 0.300 1 343 34 34 VAL CA C 60.905 0.300 1 344 34 34 VAL CB C 35.685 0.300 1 345 34 34 VAL CG1 C 21.046 0.300 2 346 34 34 VAL CG2 C 22.372 0.300 2 347 34 34 VAL N N 116.910 0.300 1 348 35 35 VAL H H 8.040 0.030 1 349 35 35 VAL HA H 4.661 0.030 1 350 35 35 VAL HB H 1.873 0.030 1 351 35 35 VAL HG1 H 0.629 0.030 1 352 35 35 VAL HG2 H 0.938 0.030 1 353 35 35 VAL C C 174.982 0.300 1 354 35 35 VAL CA C 61.677 0.300 1 355 35 35 VAL CB C 32.258 0.300 1 356 35 35 VAL CG1 C 20.669 0.300 2 357 35 35 VAL CG2 C 22.186 0.300 2 358 35 35 VAL N N 124.875 0.300 1 359 36 36 LEU H H 8.779 0.030 1 360 36 36 LEU HA H 5.271 0.030 1 361 36 36 LEU HB2 H 1.400 0.030 2 362 36 36 LEU HB3 H 1.517 0.030 2 363 36 36 LEU HG H 1.432 0.030 1 364 36 36 LEU HD1 H 0.572 0.030 1 365 36 36 LEU HD2 H 0.634 0.030 1 366 36 36 LEU C C 175.104 0.300 1 367 36 36 LEU CA C 52.755 0.300 1 368 36 36 LEU CB C 46.679 0.300 1 369 36 36 LEU CG C 26.886 0.300 1 370 36 36 LEU CD1 C 24.114 0.300 2 371 36 36 LEU CD2 C 26.370 0.300 2 372 36 36 LEU N N 126.016 0.300 1 373 37 37 THR H H 8.277 0.030 1 374 37 37 THR HA H 4.824 0.030 1 375 37 37 THR HB H 3.733 0.030 1 376 37 37 THR HG2 H 1.121 0.030 1 377 37 37 THR C C 173.191 0.300 1 378 37 37 THR CA C 61.147 0.300 1 379 37 37 THR CB C 71.680 0.300 1 380 37 37 THR CG2 C 21.525 0.300 1 381 37 37 THR N N 115.620 0.300 1 382 38 38 TRP H H 8.339 0.030 1 383 38 38 TRP HA H 5.209 0.030 1 384 38 38 TRP HB2 H 3.104 0.030 2 385 38 38 TRP HB3 H 3.514 0.030 2 386 38 38 TRP HD1 H 6.373 0.030 1 387 38 38 TRP HE1 H 6.351 0.030 1 388 38 38 TRP HE3 H 6.710 0.030 1 389 38 38 TRP HZ2 H 7.252 0.030 1 390 38 38 TRP HZ3 H 6.428 0.030 1 391 38 38 TRP HH2 H 6.299 0.030 1 392 38 38 TRP C C 172.742 0.300 1 393 38 38 TRP CA C 56.889 0.300 1 394 38 38 TRP CB C 29.388 0.300 1 395 38 38 TRP CD1 C 124.954 0.300 1 396 38 38 TRP CE3 C 119.126 0.300 1 397 38 38 TRP CZ2 C 115.400 0.300 1 398 38 38 TRP CZ3 C 121.547 0.300 1 399 38 38 TRP CH2 C 123.705 0.300 1 400 38 38 TRP N N 124.736 0.300 1 401 38 38 TRP NE1 N 126.151 0.300 1 402 39 39 SER H H 8.259 0.030 1 403 39 39 SER HA H 5.063 0.030 1 404 39 39 SER HB2 H 3.690 0.030 2 405 39 39 SER HB3 H 3.918 0.030 2 406 39 39 SER C C 171.017 0.300 1 407 39 39 SER CA C 55.846 0.300 1 408 39 39 SER CB C 64.743 0.300 1 409 39 39 SER N N 113.620 0.300 1 410 40 40 PRO HA H 5.154 0.030 1 411 40 40 PRO HB2 H 1.902 0.030 2 412 40 40 PRO HB3 H 2.583 0.030 2 413 40 40 PRO HG2 H 2.112 0.030 2 414 40 40 PRO HG3 H 2.182 0.030 2 415 40 40 PRO HD2 H 3.702 0.030 2 416 40 40 PRO HD3 H 3.853 0.030 2 417 40 40 PRO CA C 61.637 0.300 1 418 40 40 PRO CB C 30.964 0.300 1 419 40 40 PRO CG C 27.881 0.300 1 420 40 40 PRO CD C 50.963 0.300 1 421 41 41 PRO HA H 4.518 0.030 1 422 41 41 PRO HB2 H 1.872 0.030 2 423 41 41 PRO HB3 H 2.163 0.030 2 424 41 41 PRO HG2 H 1.395 0.030 2 425 41 41 PRO HG3 H 1.501 0.030 2 426 41 41 PRO HD2 H 3.145 0.030 2 427 41 41 PRO HD3 H 3.552 0.030 2 428 41 41 PRO C C 175.529 0.300 1 429 41 41 PRO CA C 62.914 0.300 1 430 41 41 PRO CB C 32.038 0.300 1 431 41 41 PRO CG C 27.564 0.300 1 432 41 41 PRO CD C 50.239 0.300 1 433 42 42 SER H H 8.058 0.030 1 434 42 42 SER HA H 4.574 0.030 1 435 42 42 SER HB2 H 3.864 0.030 1 436 42 42 SER HB3 H 3.864 0.030 1 437 42 42 SER C C 174.038 0.300 1 438 42 42 SER CA C 57.748 0.300 1 439 42 42 SER CB C 64.741 0.300 1 440 42 42 SER N N 114.203 0.300 1 441 43 43 SER H H 8.455 0.030 1 442 43 43 SER HA H 4.380 0.030 1 443 43 43 SER HB2 H 3.851 0.030 2 444 43 43 SER HB3 H 3.920 0.030 2 445 43 43 SER C C 174.611 0.300 1 446 43 43 SER CA C 58.615 0.300 1 447 43 43 SER CB C 63.916 0.300 1 448 43 43 SER N N 116.960 0.300 1 449 44 44 LEU H H 8.377 0.030 1 450 44 44 LEU HA H 4.345 0.030 1 451 44 44 LEU HB2 H 1.564 0.030 2 452 44 44 LEU HB3 H 1.610 0.030 2 453 44 44 LEU HG H 1.599 0.030 1 454 44 44 LEU HD1 H 0.831 0.030 1 455 44 44 LEU HD2 H 0.860 0.030 1 456 44 44 LEU C C 177.356 0.300 1 457 44 44 LEU CA C 55.539 0.300 1 458 44 44 LEU CB C 42.247 0.300 1 459 44 44 LEU CG C 27.301 0.300 1 460 44 44 LEU CD1 C 23.624 0.300 2 461 44 44 LEU CD2 C 24.990 0.300 2 462 44 44 LEU N N 124.252 0.300 1 463 45 45 ILE H H 8.117 0.030 1 464 45 45 ILE HA H 4.160 0.030 1 465 45 45 ILE HB H 1.827 0.030 1 466 45 45 ILE HG12 H 1.135 0.030 2 467 45 45 ILE HG13 H 1.419 0.030 2 468 45 45 ILE HG2 H 0.859 0.030 1 469 45 45 ILE HD1 H 0.817 0.030 1 470 45 45 ILE C C 175.973 0.300 1 471 45 45 ILE CA C 61.047 0.300 1 472 45 45 ILE CB C 38.772 0.300 1 473 45 45 ILE CG1 C 27.273 0.300 1 474 45 45 ILE CG2 C 17.481 0.300 1 475 45 45 ILE CD1 C 12.947 0.300 1 476 45 45 ILE N N 120.741 0.300 1 477 46 46 ASN H H 8.581 0.030 1 478 46 46 ASN HA H 4.690 0.030 1 479 46 46 ASN HB2 H 2.798 0.030 2 480 46 46 ASN HB3 H 2.875 0.030 2 481 46 46 ASN HD21 H 6.898 0.030 2 482 46 46 ASN HD22 H 7.624 0.030 2 483 46 46 ASN C C 175.558 0.300 1 484 46 46 ASN CA C 53.493 0.300 1 485 46 46 ASN CB C 38.886 0.300 1 486 46 46 ASN N N 122.703 0.300 1 487 46 46 ASN ND2 N 112.548 0.300 1 488 47 47 GLY H H 8.354 0.030 1 489 47 47 GLY HA2 H 3.942 0.030 2 490 47 47 GLY HA3 H 3.996 0.030 2 491 47 47 GLY C C 174.111 0.300 1 492 47 47 GLY CA C 45.480 0.300 1 493 47 47 GLY N N 108.915 0.300 1 494 48 48 GLU H H 8.279 0.030 1 495 48 48 GLU HA H 4.392 0.030 1 496 48 48 GLU HB2 H 1.960 0.030 2 497 48 48 GLU HB3 H 2.102 0.030 2 498 48 48 GLU HG2 H 2.247 0.030 2 499 48 48 GLU HG3 H 2.286 0.030 2 500 48 48 GLU C C 176.637 0.300 1 501 48 48 GLU CA C 56.610 0.300 1 502 48 48 GLU CB C 30.514 0.300 1 503 48 48 GLU CG C 36.236 0.300 1 504 48 48 GLU N N 120.219 0.300 1 505 49 49 THR H H 8.187 0.030 1 506 49 49 THR HA H 4.394 0.030 1 507 49 49 THR HB H 4.223 0.030 1 508 49 49 THR HG2 H 1.178 0.030 1 509 49 49 THR C C 174.111 0.300 1 510 49 49 THR CA C 61.717 0.300 1 511 49 49 THR CB C 70.081 0.300 1 512 49 49 THR CG2 C 21.601 0.300 1 513 49 49 THR N N 114.328 0.300 1 514 50 50 ASP H H 8.419 0.030 1 515 50 50 ASP HA H 4.654 0.030 1 516 50 50 ASP HB2 H 2.677 0.030 2 517 50 50 ASP HB3 H 2.755 0.030 2 518 50 50 ASP C C 176.537 0.300 1 519 50 50 ASP CA C 54.249 0.300 1 520 50 50 ASP CB C 41.303 0.300 1 521 50 50 ASP N N 123.087 0.300 1 522 51 51 GLU H H 8.576 0.030 1 523 51 51 GLU HA H 4.283 0.030 1 524 51 51 GLU HB2 H 1.961 0.030 2 525 51 51 GLU HB3 H 2.122 0.030 2 526 51 51 GLU HG2 H 2.268 0.030 2 527 51 51 GLU HG3 H 2.299 0.030 2 528 51 51 GLU C C 176.744 0.300 1 529 51 51 GLU CA C 57.222 0.300 1 530 51 51 GLU CB C 29.895 0.300 1 531 51 51 GLU CG C 36.249 0.300 1 532 51 51 GLU N N 122.218 0.300 1 533 52 52 SER H H 8.401 0.030 1 534 52 52 SER HA H 4.451 0.030 1 535 52 52 SER HB2 H 3.848 0.030 2 536 52 52 SER HB3 H 3.915 0.030 2 537 52 52 SER C C 174.600 0.300 1 538 52 52 SER CA C 58.922 0.300 1 539 52 52 SER CB C 63.870 0.300 1 540 52 52 SER N N 116.148 0.300 1 541 53 53 SER H H 8.139 0.030 1 542 53 53 SER HA H 4.494 0.030 1 543 53 53 SER HB2 H 3.856 0.030 1 544 53 53 SER HB3 H 3.856 0.030 1 545 53 53 SER C C 173.926 0.300 1 546 53 53 SER CA C 58.315 0.300 1 547 53 53 SER CB C 63.934 0.300 1 548 53 53 SER N N 117.853 0.300 1 549 54 54 VAL H H 7.999 0.030 1 550 54 54 VAL HA H 4.404 0.030 1 551 54 54 VAL HB H 2.084 0.030 1 552 54 54 VAL HG1 H 0.925 0.030 1 553 54 54 VAL HG2 H 0.960 0.030 1 554 54 54 VAL C C 174.307 0.300 1 555 54 54 VAL CA C 59.892 0.300 1 556 54 54 VAL CB C 32.629 0.300 1 557 54 54 VAL CG1 C 20.382 0.300 2 558 54 54 VAL CG2 C 21.324 0.300 2 559 54 54 VAL N N 122.524 0.300 1 560 55 55 PRO HA H 4.157 0.030 1 561 55 55 PRO HB2 H 1.517 0.030 2 562 55 55 PRO HB3 H 1.871 0.030 2 563 55 55 PRO HG2 H 1.613 0.030 2 564 55 55 PRO HG3 H 1.705 0.030 2 565 55 55 PRO HD2 H 3.643 0.030 2 566 55 55 PRO HD3 H 3.769 0.030 2 567 55 55 PRO C C 176.467 0.300 1 568 55 55 PRO CA C 63.220 0.300 1 569 55 55 PRO CB C 32.114 0.300 1 570 55 55 PRO CG C 27.363 0.300 1 571 55 55 PRO CD C 50.838 0.300 1 572 56 56 GLU H H 8.193 0.030 1 573 56 56 GLU HA H 4.164 0.030 1 574 56 56 GLU HB2 H 1.694 0.030 2 575 56 56 GLU HB3 H 1.724 0.030 2 576 56 56 GLU HG2 H 2.180 0.030 1 577 56 56 GLU HG3 H 2.180 0.030 1 578 56 56 GLU C C 175.534 0.300 1 579 56 56 GLU CA C 56.570 0.300 1 580 56 56 GLU CB C 30.163 0.300 1 581 56 56 GLU CG C 36.060 0.300 1 582 56 56 GLU N N 119.721 0.300 1 583 57 57 LEU H H 7.737 0.030 1 584 57 57 LEU HA H 4.452 0.030 1 585 57 57 LEU HB2 H 1.541 0.030 2 586 57 57 LEU HB3 H 1.647 0.030 2 587 57 57 LEU HG H 1.527 0.030 1 588 57 57 LEU HD1 H 0.881 0.030 1 589 57 57 LEU HD2 H 0.934 0.030 1 590 57 57 LEU C C 175.597 0.300 1 591 57 57 LEU CA C 54.343 0.300 1 592 57 57 LEU CB C 42.288 0.300 1 593 57 57 LEU CG C 27.006 0.300 1 594 57 57 LEU CD1 C 24.102 0.300 2 595 57 57 LEU CD2 C 25.058 0.300 2 596 57 57 LEU N N 121.611 0.300 1 597 58 58 TYR H H 7.370 0.030 1 598 58 58 TYR HA H 4.817 0.030 1 599 58 58 TYR HB2 H 2.566 0.030 2 600 58 58 TYR HB3 H 2.810 0.030 2 601 58 58 TYR HD1 H 7.086 0.030 1 602 58 58 TYR HD2 H 7.086 0.030 1 603 58 58 TYR HE1 H 6.561 0.030 1 604 58 58 TYR HE2 H 6.561 0.030 1 605 58 58 TYR C C 175.560 0.300 1 606 58 58 TYR CA C 57.599 0.300 1 607 58 58 TYR CB C 39.632 0.300 1 608 58 58 TYR CD1 C 132.421 0.300 1 609 58 58 TYR CD2 C 132.421 0.300 1 610 58 58 TYR CE1 C 118.047 0.300 1 611 58 58 TYR CE2 C 118.047 0.300 1 612 58 58 TYR N N 120.615 0.300 1 613 59 59 GLY H H 8.606 0.030 1 614 59 59 GLY HA2 H 4.430 0.030 2 615 59 59 GLY HA3 H 3.550 0.030 2 616 59 59 GLY C C 171.880 0.300 1 617 59 59 GLY CA C 43.736 0.300 1 618 59 59 GLY N N 107.104 0.300 1 619 60 60 TYR H H 8.909 0.030 1 620 60 60 TYR HA H 5.724 0.030 1 621 60 60 TYR HB2 H 2.856 0.030 2 622 60 60 TYR HB3 H 3.093 0.030 2 623 60 60 TYR HD1 H 7.084 0.030 1 624 60 60 TYR HD2 H 7.084 0.030 1 625 60 60 TYR HE1 H 6.685 0.030 1 626 60 60 TYR HE2 H 6.685 0.030 1 627 60 60 TYR C C 175.065 0.300 1 628 60 60 TYR CA C 56.556 0.300 1 629 60 60 TYR CB C 43.309 0.300 1 630 60 60 TYR CD1 C 133.128 0.300 1 631 60 60 TYR CD2 C 133.128 0.300 1 632 60 60 TYR CE1 C 118.292 0.300 1 633 60 60 TYR CE2 C 118.292 0.300 1 634 60 60 TYR N N 116.227 0.300 1 635 61 61 GLU H H 8.783 0.030 1 636 61 61 GLU HA H 5.585 0.030 1 637 61 61 GLU HB2 H 1.821 0.030 2 638 61 61 GLU HB3 H 1.970 0.030 2 639 61 61 GLU HG2 H 2.128 0.030 2 640 61 61 GLU HG3 H 2.458 0.030 2 641 61 61 GLU C C 175.355 0.300 1 642 61 61 GLU CA C 54.441 0.300 1 643 61 61 GLU CB C 33.343 0.300 1 644 61 61 GLU CG C 35.944 0.300 1 645 61 61 GLU N N 120.062 0.300 1 646 62 62 VAL H H 8.556 0.030 1 647 62 62 VAL HA H 4.528 0.030 1 648 62 62 VAL HB H 1.853 0.030 1 649 62 62 VAL HG1 H 0.657 0.030 1 650 62 62 VAL HG2 H 0.409 0.030 1 651 62 62 VAL C C 174.164 0.300 1 652 62 62 VAL CA C 61.197 0.300 1 653 62 62 VAL CB C 33.089 0.300 1 654 62 62 VAL CG1 C 21.167 0.300 2 655 62 62 VAL CG2 C 23.074 0.300 2 656 62 62 VAL N N 123.905 0.300 1 657 63 63 LEU H H 8.902 0.030 1 658 63 63 LEU HA H 5.418 0.030 1 659 63 63 LEU HB2 H 1.466 0.030 1 660 63 63 LEU HB3 H 1.466 0.030 1 661 63 63 LEU HG H 1.443 0.030 1 662 63 63 LEU HD1 H 0.623 0.030 1 663 63 63 LEU HD2 H 0.714 0.030 1 664 63 63 LEU C C 176.099 0.300 1 665 63 63 LEU CA C 52.961 0.300 1 666 63 63 LEU CB C 45.376 0.300 1 667 63 63 LEU CG C 27.482 0.300 1 668 63 63 LEU CD1 C 25.331 0.300 2 669 63 63 LEU CD2 C 24.027 0.300 2 670 63 63 LEU N N 128.286 0.300 1 671 64 64 ILE H H 9.361 0.030 1 672 64 64 ILE HA H 5.889 0.030 1 673 64 64 ILE HB H 1.857 0.030 1 674 64 64 ILE HG12 H 1.353 0.030 2 675 64 64 ILE HG13 H 1.603 0.030 2 676 64 64 ILE HG2 H 0.990 0.030 1 677 64 64 ILE HD1 H 0.816 0.030 1 678 64 64 ILE C C 175.238 0.300 1 679 64 64 ILE CA C 58.375 0.300 1 680 64 64 ILE CB C 42.418 0.300 1 681 64 64 ILE CG1 C 27.721 0.300 1 682 64 64 ILE CG2 C 17.594 0.300 1 683 64 64 ILE CD1 C 13.423 0.300 1 684 64 64 ILE N N 119.094 0.300 1 685 65 65 SER H H 9.229 0.030 1 686 65 65 SER HA H 4.961 0.030 1 687 65 65 SER HB2 H 1.697 0.030 2 688 65 65 SER HB3 H 2.888 0.030 2 689 65 65 SER C C 175.273 0.300 1 690 65 65 SER CA C 54.957 0.300 1 691 65 65 SER CB C 64.459 0.300 1 692 65 65 SER N N 122.066 0.300 1 693 66 66 SER H H 9.113 0.030 1 694 66 66 SER HA H 4.720 0.030 1 695 66 66 SER HB2 H 3.635 0.030 2 696 66 66 SER HB3 H 4.096 0.030 2 697 66 66 SER C C 174.427 0.300 1 698 66 66 SER CA C 57.685 0.300 1 699 66 66 SER CB C 64.136 0.300 1 700 67 67 THR H H 8.338 0.030 1 701 67 67 THR HA H 4.580 0.030 1 702 67 67 THR HB H 4.566 0.030 1 703 67 67 THR HG2 H 1.098 0.030 1 704 67 67 THR C C 174.170 0.300 1 705 67 67 THR CA C 60.180 0.300 1 706 67 67 THR CB C 68.817 0.300 1 707 67 67 THR CG2 C 22.211 0.300 1 708 67 67 THR N N 113.236 0.300 1 709 68 68 GLY H H 8.145 0.030 1 710 68 68 GLY HA2 H 3.397 0.030 2 711 68 68 GLY HA3 H 4.392 0.030 2 712 68 68 GLY C C 175.672 0.300 1 713 68 68 GLY CA C 43.642 0.300 1 714 68 68 GLY N N 109.098 0.300 1 715 69 69 LYS H H 8.395 0.030 1 716 69 69 LYS HA H 3.069 0.030 1 717 69 69 LYS HB2 H 1.431 0.030 2 718 69 69 LYS HB3 H 1.562 0.030 2 719 69 69 LYS HG2 H 1.215 0.030 2 720 69 69 LYS HG3 H 1.308 0.030 2 721 69 69 LYS HD2 H 1.698 0.030 1 722 69 69 LYS HD3 H 1.698 0.030 1 723 69 69 LYS HE2 H 3.050 0.030 1 724 69 69 LYS HE3 H 3.050 0.030 1 725 69 69 LYS C C 177.720 0.300 1 726 69 69 LYS CA C 59.065 0.300 1 727 69 69 LYS CB C 32.210 0.300 1 728 69 69 LYS CG C 24.239 0.300 1 729 69 69 LYS CD C 29.021 0.300 1 730 69 69 LYS CE C 42.005 0.300 1 731 69 69 LYS N N 122.115 0.300 1 732 70 70 ASP H H 8.421 0.030 1 733 70 70 ASP HA H 5.124 0.030 1 734 70 70 ASP HB2 H 2.425 0.030 2 735 70 70 ASP HB3 H 2.891 0.030 2 736 70 70 ASP C C 175.843 0.300 1 737 70 70 ASP CA C 53.123 0.300 1 738 70 70 ASP CB C 40.598 0.300 1 739 70 70 ASP N N 118.838 0.300 1 740 71 71 GLY H H 6.743 0.030 1 741 71 71 GLY HA2 H 3.404 0.030 2 742 71 71 GLY HA3 H 3.949 0.030 2 743 71 71 GLY C C 171.823 0.300 1 744 71 71 GLY CA C 44.088 0.300 1 745 71 71 GLY N N 106.961 0.300 1 746 72 72 LYS H H 7.109 0.030 1 747 72 72 LYS HA H 4.357 0.030 1 748 72 72 LYS HB2 H 1.676 0.030 2 749 72 72 LYS HB3 H 1.716 0.030 2 750 72 72 LYS HG2 H 1.366 0.030 2 751 72 72 LYS HG3 H 1.417 0.030 2 752 72 72 LYS HD2 H 1.698 0.030 1 753 72 72 LYS HD3 H 1.698 0.030 1 754 72 72 LYS HE2 H 3.007 0.030 1 755 72 72 LYS HE3 H 3.007 0.030 1 756 72 72 LYS C C 176.488 0.300 1 757 72 72 LYS CA C 55.514 0.300 1 758 72 72 LYS CB C 32.474 0.300 1 759 72 72 LYS CG C 24.742 0.300 1 760 72 72 LYS CD C 29.031 0.300 1 761 72 72 LYS CE C 42.201 0.300 1 762 72 72 LYS N N 117.557 0.300 1 763 73 73 TYR H H 8.977 0.030 1 764 73 73 TYR HA H 4.511 0.030 1 765 73 73 TYR HB2 H 2.542 0.030 2 766 73 73 TYR HB3 H 2.885 0.030 2 767 73 73 TYR HD1 H 6.908 0.030 1 768 73 73 TYR HD2 H 6.908 0.030 1 769 73 73 TYR HE1 H 6.610 0.030 1 770 73 73 TYR HE2 H 6.610 0.030 1 771 73 73 TYR C C 175.831 0.300 1 772 73 73 TYR CA C 58.402 0.300 1 773 73 73 TYR CB C 39.713 0.300 1 774 73 73 TYR CD1 C 133.555 0.300 1 775 73 73 TYR CD2 C 133.555 0.300 1 776 73 73 TYR CE1 C 117.716 0.300 1 777 73 73 TYR CE2 C 117.716 0.300 1 778 73 73 TYR N N 126.252 0.300 1 779 74 74 LYS H H 8.927 0.030 1 780 74 74 LYS HA H 4.688 0.030 1 781 74 74 LYS HB2 H 1.850 0.030 1 782 74 74 LYS HB3 H 1.850 0.030 1 783 74 74 LYS HG2 H 1.420 0.030 2 784 74 74 LYS HG3 H 1.453 0.030 2 785 74 74 LYS HD2 H 1.717 0.030 1 786 74 74 LYS HD3 H 1.717 0.030 1 787 74 74 LYS HE2 H 2.992 0.030 1 788 74 74 LYS HE3 H 2.992 0.030 1 789 74 74 LYS C C 175.509 0.300 1 790 74 74 LYS CA C 54.219 0.300 1 791 74 74 LYS CB C 35.716 0.300 1 792 74 74 LYS CG C 24.680 0.300 1 793 74 74 LYS CD C 29.379 0.300 1 794 74 74 LYS CE C 42.269 0.300 1 795 74 74 LYS N N 122.978 0.300 1 796 75 75 SER H H 8.789 0.030 1 797 75 75 SER HA H 4.874 0.030 1 798 75 75 SER HB2 H 3.742 0.030 2 799 75 75 SER HB3 H 3.798 0.030 2 800 75 75 SER C C 176.677 0.300 1 801 75 75 SER CA C 58.546 0.300 1 802 75 75 SER CB C 62.510 0.300 1 803 75 75 SER N N 118.889 0.300 1 804 76 76 VAL H H 8.970 0.030 1 805 76 76 VAL HA H 4.802 0.030 1 806 76 76 VAL HB H 2.505 0.030 1 807 76 76 VAL HG1 H 0.997 0.030 1 808 76 76 VAL HG2 H 0.826 0.030 1 809 76 76 VAL C C 175.115 0.300 1 810 76 76 VAL CA C 60.684 0.300 1 811 76 76 VAL CB C 33.587 0.300 1 812 76 76 VAL CG1 C 21.848 0.300 2 813 76 76 VAL CG2 C 19.450 0.300 2 814 76 76 VAL N N 118.957 0.300 1 815 77 77 TYR H H 7.546 0.030 1 816 77 77 TYR HA H 4.702 0.030 1 817 77 77 TYR HB2 H 2.332 0.030 2 818 77 77 TYR HB3 H 3.412 0.030 2 819 77 77 TYR HD1 H 7.061 0.030 1 820 77 77 TYR HD2 H 7.061 0.030 1 821 77 77 TYR HE1 H 6.971 0.030 1 822 77 77 TYR HE2 H 6.971 0.030 1 823 77 77 TYR C C 172.675 0.300 1 824 77 77 TYR CA C 59.351 0.300 1 825 77 77 TYR CB C 42.152 0.300 1 826 77 77 TYR CD1 C 132.687 0.300 1 827 77 77 TYR CD2 C 132.687 0.300 1 828 77 77 TYR CE1 C 118.816 0.300 1 829 77 77 TYR CE2 C 118.816 0.300 1 830 77 77 TYR N N 121.828 0.300 1 831 78 78 VAL H H 7.273 0.030 1 832 78 78 VAL HA H 4.881 0.030 1 833 78 78 VAL HB H 1.749 0.030 1 834 78 78 VAL HG1 H 0.788 0.030 1 835 78 78 VAL HG2 H 0.805 0.030 1 836 78 78 VAL C C 174.909 0.300 1 837 78 78 VAL CA C 60.484 0.300 1 838 78 78 VAL CB C 34.900 0.300 1 839 78 78 VAL CG1 C 20.994 0.300 2 840 78 78 VAL CG2 C 21.167 0.300 2 841 78 78 VAL N N 126.931 0.300 1 842 79 79 GLY H H 8.595 0.030 1 843 79 79 GLY HA2 H 4.108 0.030 2 844 79 79 GLY HA3 H 4.373 0.030 2 845 79 79 GLY C C 172.596 0.300 1 846 79 79 GLY CA C 46.061 0.300 1 847 79 79 GLY N N 114.215 0.300 1 848 80 80 GLU H H 8.852 0.030 1 849 80 80 GLU HA H 5.070 0.030 1 850 80 80 GLU HB2 H 2.135 0.030 2 851 80 80 GLU HB3 H 2.456 0.030 2 852 80 80 GLU HG2 H 2.361 0.030 2 853 80 80 GLU HG3 H 2.505 0.030 2 854 80 80 GLU C C 177.652 0.300 1 855 80 80 GLU CA C 56.623 0.300 1 856 80 80 GLU CB C 31.395 0.300 1 857 80 80 GLU CG C 36.299 0.300 1 858 80 80 GLU N N 116.812 0.300 1 859 81 81 GLU H H 8.213 0.030 1 860 81 81 GLU HA H 4.444 0.030 1 861 81 81 GLU HB2 H 2.158 0.030 1 862 81 81 GLU HB3 H 2.158 0.030 1 863 81 81 GLU HG2 H 2.418 0.030 2 864 81 81 GLU HG3 H 2.500 0.030 2 865 81 81 GLU C C 173.808 0.300 1 866 81 81 GLU CA C 56.570 0.300 1 867 81 81 GLU CB C 30.838 0.300 1 868 81 81 GLU CG C 37.347 0.300 1 869 81 81 GLU N N 120.342 0.300 1 870 82 82 THR H H 7.610 0.030 1 871 82 82 THR HA H 2.890 0.030 1 872 82 82 THR HB H 3.717 0.030 1 873 82 82 THR HG2 H 0.624 0.030 1 874 82 82 THR C C 171.936 0.300 1 875 82 82 THR CA C 59.151 0.300 1 876 82 82 THR CB C 67.305 0.300 1 877 82 82 THR CG2 C 21.214 0.300 1 878 82 82 THR N N 101.882 0.300 1 879 83 83 ASN H H 6.338 0.030 1 880 83 83 ASN HA H 4.802 0.030 1 881 83 83 ASN HB2 H 2.323 0.030 2 882 83 83 ASN HB3 H 2.369 0.030 2 883 83 83 ASN HD21 H 6.360 0.030 2 884 83 83 ASN HD22 H 6.989 0.030 2 885 83 83 ASN C C 173.216 0.300 1 886 83 83 ASN CA C 52.659 0.300 1 887 83 83 ASN CB C 42.212 0.300 1 888 83 83 ASN N N 114.894 0.300 1 889 83 83 ASN ND2 N 113.109 0.300 1 890 84 84 ILE H H 8.655 0.030 1 891 84 84 ILE HA H 4.472 0.030 1 892 84 84 ILE HB H 1.538 0.030 1 893 84 84 ILE HG12 H 1.008 0.030 2 894 84 84 ILE HG13 H 1.160 0.030 2 895 84 84 ILE HG2 H 0.303 0.030 1 896 84 84 ILE HD1 H 0.689 0.030 1 897 84 84 ILE C C 173.184 0.300 1 898 84 84 ILE CA C 58.995 0.300 1 899 84 84 ILE CB C 42.678 0.300 1 900 84 84 ILE CG1 C 26.355 0.300 1 901 84 84 ILE CG2 C 17.419 0.300 1 902 84 84 ILE CD1 C 14.853 0.300 1 903 84 84 ILE N N 116.140 0.300 1 904 85 85 THR H H 8.013 0.030 1 905 85 85 THR HA H 4.939 0.030 1 906 85 85 THR HB H 3.897 0.030 1 907 85 85 THR HG2 H 1.025 0.030 1 908 85 85 THR C C 174.595 0.300 1 909 85 85 THR CA C 61.722 0.300 1 910 85 85 THR CB C 69.769 0.300 1 911 85 85 THR CG2 C 20.929 0.300 1 912 85 85 THR N N 118.168 0.300 1 913 86 86 LEU H H 9.086 0.030 1 914 86 86 LEU HA H 4.529 0.030 1 915 86 86 LEU HB2 H 1.443 0.030 2 916 86 86 LEU HB3 H 1.599 0.030 2 917 86 86 LEU HG H 1.487 0.030 1 918 86 86 LEU HD1 H 0.815 0.030 1 919 86 86 LEU HD2 H 0.762 0.030 1 920 86 86 LEU C C 174.827 0.300 1 921 86 86 LEU CA C 53.819 0.300 1 922 86 86 LEU CB C 42.910 0.300 1 923 86 86 LEU CG C 26.822 0.300 1 924 86 86 LEU CD1 C 24.146 0.300 2 925 86 86 LEU CD2 C 26.099 0.300 2 926 86 86 LEU N N 127.893 0.300 1 927 87 87 ASN H H 8.237 0.030 1 928 87 87 ASN HA H 5.291 0.030 1 929 87 87 ASN HB2 H 2.712 0.030 1 930 87 87 ASN HB3 H 2.712 0.030 1 931 87 87 ASN HD21 H 6.793 0.030 2 932 87 87 ASN HD22 H 7.419 0.030 2 933 87 87 ASN C C 174.004 0.300 1 934 87 87 ASN CA C 51.650 0.300 1 935 87 87 ASN CB C 42.150 0.300 1 936 87 87 ASN N N 118.291 0.300 1 937 87 87 ASN ND2 N 112.835 0.300 1 938 88 88 ASP H H 8.616 0.030 1 939 88 88 ASP HA H 4.429 0.030 1 940 88 88 ASP HB2 H 2.668 0.030 2 941 88 88 ASP HB3 H 2.948 0.030 2 942 88 88 ASP C C 176.002 0.300 1 943 88 88 ASP CA C 55.023 0.300 1 944 88 88 ASP CB C 39.649 0.300 1 945 88 88 ASP N N 115.029 0.300 1 946 89 89 LEU H H 8.321 0.030 1 947 89 89 LEU HA H 4.368 0.030 1 948 89 89 LEU HB2 H 1.194 0.030 2 949 89 89 LEU HB3 H 1.401 0.030 2 950 89 89 LEU HG H 1.193 0.030 1 951 89 89 LEU HD1 H 0.359 0.030 1 952 89 89 LEU HD2 H 0.252 0.030 1 953 89 89 LEU C C 175.812 0.300 1 954 89 89 LEU CA C 53.880 0.300 1 955 89 89 LEU CB C 41.301 0.300 1 956 89 89 LEU CG C 26.459 0.300 1 957 89 89 LEU CD1 C 26.435 0.300 2 958 89 89 LEU CD2 C 20.438 0.300 2 959 89 89 LEU N N 118.034 0.300 1 960 90 90 LYS H H 8.434 0.030 1 961 90 90 LYS HA H 4.809 0.030 1 962 90 90 LYS HB2 H 1.865 0.030 1 963 90 90 LYS HB3 H 1.865 0.030 1 964 90 90 LYS HG2 H 1.540 0.030 2 965 90 90 LYS HG3 H 1.595 0.030 2 966 90 90 LYS HD2 H 1.708 0.030 1 967 90 90 LYS HD3 H 1.708 0.030 1 968 90 90 LYS HE2 H 3.043 0.030 1 969 90 90 LYS HE3 H 3.043 0.030 1 970 90 90 LYS CA C 53.191 0.300 1 971 90 90 LYS CB C 33.439 0.300 1 972 90 90 LYS CG C 25.099 0.300 1 973 90 90 LYS CD C 29.290 0.300 1 974 90 90 LYS CE C 42.495 0.300 1 975 90 90 LYS N N 120.640 0.300 1 976 91 91 PRO HA H 5.110 0.030 1 977 91 91 PRO HB2 H 1.941 0.030 2 978 91 91 PRO HB3 H 2.562 0.030 2 979 91 91 PRO HG2 H 1.763 0.030 2 980 91 91 PRO HG3 H 2.025 0.030 2 981 91 91 PRO HD2 H 3.628 0.030 2 982 91 91 PRO HD3 H 3.875 0.030 2 983 91 91 PRO C C 175.792 0.300 1 984 91 91 PRO CA C 62.882 0.300 1 985 91 91 PRO CB C 33.361 0.300 1 986 91 91 PRO CG C 27.547 0.300 1 987 91 91 PRO CD C 51.430 0.300 1 988 92 92 ALA H H 7.275 0.030 1 989 92 92 ALA HA H 3.828 0.030 1 990 92 92 ALA HB H 1.265 0.030 1 991 92 92 ALA C C 175.852 0.300 1 992 92 92 ALA CA C 51.916 0.300 1 993 92 92 ALA CB C 17.357 0.300 1 994 92 92 ALA N N 123.485 0.300 1 995 93 93 MET H H 8.186 0.030 1 996 93 93 MET HA H 4.680 0.030 1 997 93 93 MET HB2 H 1.633 0.030 2 998 93 93 MET HB3 H 1.720 0.030 2 999 93 93 MET HG2 H 1.980 0.030 2 1000 93 93 MET HG3 H 2.124 0.030 2 1001 93 93 MET HE H 1.960 0.030 1 1002 93 93 MET C C 173.373 0.300 1 1003 93 93 MET CA C 53.572 0.300 1 1004 93 93 MET CB C 35.375 0.300 1 1005 93 93 MET CG C 32.129 0.300 1 1006 93 93 MET CE C 16.878 0.300 1 1007 93 93 MET N N 119.108 0.300 1 1008 94 94 ASP H H 7.661 0.030 1 1009 94 94 ASP HA H 4.912 0.030 1 1010 94 94 ASP HB2 H 2.211 0.030 2 1011 94 94 ASP HB3 H 2.430 0.030 2 1012 94 94 ASP CA C 53.505 0.300 1 1013 94 94 ASP CB C 41.065 0.300 1 1014 94 94 ASP N N 120.802 0.300 1 1015 95 95 TYR H H 9.052 0.030 1 1016 95 95 TYR HA H 4.719 0.030 1 1017 95 95 TYR HB2 H 1.053 0.030 2 1018 95 95 TYR HB3 H 2.015 0.030 2 1019 95 95 TYR HD1 H 6.773 0.030 1 1020 95 95 TYR HD2 H 6.773 0.030 1 1021 95 95 TYR HE1 H 6.918 0.030 1 1022 95 95 TYR HE2 H 6.918 0.030 1 1023 95 95 TYR C C 174.464 0.300 1 1024 95 95 TYR CA C 57.675 0.300 1 1025 95 95 TYR CB C 43.270 0.300 1 1026 95 95 TYR CD1 C 133.267 0.300 1 1027 95 95 TYR CD2 C 133.267 0.300 1 1028 95 95 TYR CE1 C 118.082 0.300 1 1029 95 95 TYR CE2 C 118.082 0.300 1 1030 95 95 TYR N N 123.006 0.300 1 1031 96 96 HIS H H 8.380 0.030 1 1032 96 96 HIS HA H 5.400 0.030 1 1033 96 96 HIS HB2 H 2.601 0.030 2 1034 96 96 HIS HB3 H 3.101 0.030 2 1035 96 96 HIS HD2 H 6.606 0.030 1 1036 96 96 HIS HE1 H 7.627 0.030 1 1037 96 96 HIS C C 174.929 0.300 1 1038 96 96 HIS CA C 55.703 0.300 1 1039 96 96 HIS CB C 33.600 0.300 1 1040 96 96 HIS CD2 C 118.032 0.300 1 1041 96 96 HIS CE1 C 138.048 0.300 1 1042 96 96 HIS N N 115.893 0.300 1 1043 97 97 ALA H H 9.617 0.030 1 1044 97 97 ALA HA H 6.007 0.030 1 1045 97 97 ALA HB H 1.345 0.030 1 1046 97 97 ALA C C 175.256 0.300 1 1047 97 97 ALA CA C 50.211 0.300 1 1048 97 97 ALA CB C 23.698 0.300 1 1049 97 97 ALA N N 124.244 0.300 1 1050 98 98 LYS H H 9.392 0.030 1 1051 98 98 LYS HA H 4.502 0.030 1 1052 98 98 LYS HB2 H 1.406 0.030 2 1053 98 98 LYS HB3 H 1.559 0.030 2 1054 98 98 LYS HG2 H 1.023 0.030 2 1055 98 98 LYS HG3 H 1.085 0.030 2 1056 98 98 LYS HD2 H 0.869 0.030 2 1057 98 98 LYS HD3 H 1.261 0.030 2 1058 98 98 LYS HE2 H 2.151 0.030 2 1059 98 98 LYS HE3 H 2.484 0.030 2 1060 98 98 LYS C C 173.480 0.300 1 1061 98 98 LYS CA C 54.516 0.300 1 1062 98 98 LYS CB C 38.195 0.300 1 1063 98 98 LYS CG C 25.338 0.300 1 1064 98 98 LYS CD C 30.161 0.300 1 1065 98 98 LYS CE C 41.858 0.300 1 1066 98 98 LYS N N 119.454 0.300 1 1067 99 99 VAL H H 8.359 0.030 1 1068 99 99 VAL HA H 5.011 0.030 1 1069 99 99 VAL HB H 1.088 0.030 1 1070 99 99 VAL HG1 H 0.277 0.030 1 1071 99 99 VAL HG2 H -0.030 0.030 1 1072 99 99 VAL C C 172.613 0.300 1 1073 99 99 VAL CA C 59.353 0.300 1 1074 99 99 VAL CB C 35.549 0.300 1 1075 99 99 VAL CG1 C 19.497 0.300 2 1076 99 99 VAL CG2 C 20.338 0.300 2 1077 99 99 VAL N N 117.421 0.300 1 1078 100 100 GLN H H 8.875 0.030 1 1079 100 100 GLN HA H 4.707 0.030 1 1080 100 100 GLN HB2 H 1.441 0.030 2 1081 100 100 GLN HB3 H 2.001 0.030 2 1082 100 100 GLN HG2 H 2.110 0.030 2 1083 100 100 GLN HG3 H 2.159 0.030 2 1084 100 100 GLN HE21 H 6.732 0.030 2 1085 100 100 GLN HE22 H 8.050 0.030 2 1086 100 100 GLN C C 173.588 0.300 1 1087 100 100 GLN CA C 53.988 0.300 1 1088 100 100 GLN CB C 33.453 0.300 1 1089 100 100 GLN CG C 33.439 0.300 1 1090 100 100 GLN N N 126.347 0.300 1 1091 100 100 GLN NE2 N 111.362 0.300 1 1092 101 101 ALA H H 9.439 0.030 1 1093 101 101 ALA HA H 5.413 0.030 1 1094 101 101 ALA HB H 1.338 0.030 1 1095 101 101 ALA C C 174.897 0.300 1 1096 101 101 ALA CA C 50.506 0.300 1 1097 101 101 ALA CB C 22.774 0.300 1 1098 101 101 ALA N N 130.295 0.300 1 1099 102 102 GLU H H 8.979 0.030 1 1100 102 102 GLU HA H 5.408 0.030 1 1101 102 102 GLU HB2 H 1.784 0.030 1 1102 102 102 GLU HB3 H 1.784 0.030 1 1103 102 102 GLU HG2 H 1.955 0.030 1 1104 102 102 GLU HG3 H 1.955 0.030 1 1105 102 102 GLU C C 174.740 0.300 1 1106 102 102 GLU CA C 54.170 0.300 1 1107 102 102 GLU CB C 33.631 0.300 1 1108 102 102 GLU CG C 34.869 0.300 1 1109 102 102 GLU N N 119.298 0.300 1 1110 103 103 TYR H H 8.836 0.030 1 1111 103 103 TYR HA H 4.650 0.030 1 1112 103 103 TYR HB2 H 2.639 0.030 2 1113 103 103 TYR HB3 H 3.184 0.030 2 1114 103 103 TYR HD1 H 6.716 0.030 1 1115 103 103 TYR HD2 H 6.716 0.030 1 1116 103 103 TYR HE1 H 6.594 0.030 1 1117 103 103 TYR HE2 H 6.594 0.030 1 1118 103 103 TYR C C 174.755 0.300 1 1119 103 103 TYR CA C 58.102 0.300 1 1120 103 103 TYR CB C 42.138 0.300 1 1121 103 103 TYR CD1 C 132.926 0.300 1 1122 103 103 TYR CD2 C 132.926 0.300 1 1123 103 103 TYR CE1 C 118.418 0.300 1 1124 103 103 TYR CE2 C 118.418 0.300 1 1125 103 103 TYR N N 122.675 0.300 1 1126 104 104 ASN H H 8.704 0.030 1 1127 104 104 ASN HA H 4.002 0.030 1 1128 104 104 ASN HB2 H 1.868 0.030 2 1129 104 104 ASN HB3 H 2.772 0.030 2 1130 104 104 ASN HD21 H 6.558 0.030 2 1131 104 104 ASN HD22 H 6.878 0.030 2 1132 104 104 ASN C C 174.716 0.300 1 1133 104 104 ASN CA C 53.928 0.300 1 1134 104 104 ASN CB C 36.875 0.300 1 1135 104 104 ASN N N 126.722 0.300 1 1136 104 104 ASN ND2 N 110.641 0.300 1 1137 105 105 SER H H 8.679 0.030 1 1138 105 105 SER HA H 3.920 0.030 1 1139 105 105 SER HB2 H 3.939 0.030 2 1140 105 105 SER HB3 H 4.135 0.030 2 1141 105 105 SER C C 172.863 0.300 1 1142 105 105 SER CA C 60.604 0.300 1 1143 105 105 SER CB C 62.577 0.300 1 1144 105 105 SER N N 108.157 0.300 1 1145 106 106 ILE H H 8.206 0.030 1 1146 106 106 ILE HA H 4.086 0.030 1 1147 106 106 ILE HB H 2.114 0.030 1 1148 106 106 ILE HG12 H 1.146 0.030 2 1149 106 106 ILE HG13 H 1.674 0.030 2 1150 106 106 ILE HG2 H 1.003 0.030 1 1151 106 106 ILE HD1 H 0.974 0.030 1 1152 106 106 ILE C C 174.414 0.300 1 1153 106 106 ILE CA C 60.886 0.300 1 1154 106 106 ILE CB C 38.349 0.300 1 1155 106 106 ILE CG1 C 27.547 0.300 1 1156 106 106 ILE CG2 C 18.783 0.300 1 1157 106 106 ILE CD1 C 13.899 0.300 1 1158 106 106 ILE N N 125.781 0.300 1 1159 107 107 LYS H H 8.402 0.030 1 1160 107 107 LYS HA H 5.039 0.030 1 1161 107 107 LYS HB2 H 1.603 0.030 2 1162 107 107 LYS HB3 H 1.767 0.030 2 1163 107 107 LYS HG2 H 1.190 0.030 2 1164 107 107 LYS HG3 H 1.317 0.030 2 1165 107 107 LYS HD2 H 1.459 0.030 2 1166 107 107 LYS HD3 H 1.518 0.030 2 1167 107 107 LYS HE2 H 2.792 0.030 2 1168 107 107 LYS HE3 H 2.852 0.030 2 1169 107 107 LYS C C 177.476 0.300 1 1170 107 107 LYS CA C 55.005 0.300 1 1171 107 107 LYS CB C 35.742 0.300 1 1172 107 107 LYS CG C 25.357 0.300 1 1173 107 107 LYS CD C 29.650 0.300 1 1174 107 107 LYS CE C 42.151 0.300 1 1175 107 107 LYS N N 124.122 0.300 1 1176 108 108 GLY H H 8.362 0.030 1 1177 108 108 GLY HA2 H 3.466 0.030 2 1178 108 108 GLY HA3 H 4.325 0.030 2 1179 108 108 GLY C C 173.345 0.300 1 1180 108 108 GLY CA C 44.189 0.300 1 1181 108 108 GLY N N 108.203 0.300 1 1182 109 109 THR H H 8.663 0.030 1 1183 109 109 THR HA H 4.480 0.030 1 1184 109 109 THR HB H 4.149 0.030 1 1185 109 109 THR HG2 H 1.388 0.030 1 1186 109 109 THR C C 174.008 0.300 1 1187 109 109 THR CA C 61.230 0.300 1 1188 109 109 THR CB C 69.457 0.300 1 1189 109 109 THR CG2 C 21.836 0.300 1 1190 109 109 THR N N 115.846 0.300 1 1191 110 110 PRO HA H 4.476 0.030 1 1192 110 110 PRO HB2 H 1.809 0.030 1 1193 110 110 PRO HB3 H 1.809 0.030 1 1194 110 110 PRO HG2 H 1.679 0.030 2 1195 110 110 PRO HG3 H 1.915 0.030 2 1196 110 110 PRO HD2 H 3.583 0.030 2 1197 110 110 PRO HD3 H 3.971 0.030 2 1198 110 110 PRO C C 176.251 0.300 1 1199 110 110 PRO CA C 62.822 0.300 1 1200 110 110 PRO CB C 32.617 0.300 1 1201 110 110 PRO CG C 27.482 0.300 1 1202 110 110 PRO CD C 50.954 0.300 1 1203 111 111 SER H H 9.056 0.030 1 1204 111 111 SER HA H 4.316 0.030 1 1205 111 111 SER HB2 H 3.917 0.030 2 1206 111 111 SER HB3 H 4.163 0.030 2 1207 111 111 SER C C 173.916 0.300 1 1208 111 111 SER CA C 58.534 0.300 1 1209 111 111 SER CB C 67.082 0.300 1 1210 111 111 SER N N 116.951 0.300 1 1211 112 112 GLU H H 8.499 0.030 1 1212 112 112 GLU HA H 4.283 0.030 1 1213 112 112 GLU HB2 H 2.056 0.030 2 1214 112 112 GLU HB3 H 2.099 0.030 2 1215 112 112 GLU HG2 H 2.479 0.030 2 1216 112 112 GLU HG3 H 2.534 0.030 2 1217 112 112 GLU C C 176.642 0.300 1 1218 112 112 GLU CA C 56.967 0.300 1 1219 112 112 GLU CB C 30.977 0.300 1 1220 112 112 GLU CG C 36.496 0.300 1 1221 112 112 GLU N N 117.663 0.300 1 1222 113 113 ALA H H 8.824 0.030 1 1223 113 113 ALA HA H 4.873 0.030 1 1224 113 113 ALA HB H 1.491 0.030 1 1225 113 113 ALA C C 177.820 0.300 1 1226 113 113 ALA CA C 51.630 0.300 1 1227 113 113 ALA CB C 20.217 0.300 1 1228 113 113 ALA N N 124.934 0.300 1 1229 114 114 GLU H H 9.431 0.030 1 1230 114 114 GLU HA H 5.375 0.030 1 1231 114 114 GLU HB2 H 1.675 0.030 2 1232 114 114 GLU HB3 H 2.443 0.030 2 1233 114 114 GLU HG2 H 2.280 0.030 1 1234 114 114 GLU HG3 H 2.280 0.030 1 1235 114 114 GLU C C 175.169 0.300 1 1236 114 114 GLU CA C 54.309 0.300 1 1237 114 114 GLU CB C 32.646 0.300 1 1238 114 114 GLU CG C 34.976 0.300 1 1239 114 114 GLU N N 125.527 0.300 1 1240 115 115 ILE H H 8.315 0.030 1 1241 115 115 ILE HA H 5.016 0.030 1 1242 115 115 ILE HB H 1.485 0.030 1 1243 115 115 ILE HG12 H 0.678 0.030 2 1244 115 115 ILE HG13 H 1.071 0.030 2 1245 115 115 ILE HG2 H 0.686 0.030 1 1246 115 115 ILE HD1 H 0.733 0.030 1 1247 115 115 ILE C C 175.141 0.300 1 1248 115 115 ILE CA C 58.881 0.300 1 1249 115 115 ILE CB C 39.918 0.300 1 1250 115 115 ILE CG1 C 27.615 0.300 1 1251 115 115 ILE CG2 C 16.163 0.300 1 1252 115 115 ILE CD1 C 14.019 0.300 1 1253 115 115 ILE N N 126.480 0.300 1 1254 116 116 PHE H H 8.332 0.030 1 1255 116 116 PHE HA H 4.862 0.030 1 1256 116 116 PHE HB2 H 2.838 0.030 2 1257 116 116 PHE HB3 H 3.044 0.030 2 1258 116 116 PHE HD1 H 6.784 0.030 1 1259 116 116 PHE HD2 H 6.784 0.030 1 1260 116 116 PHE HE1 H 6.806 0.030 1 1261 116 116 PHE HE2 H 6.806 0.030 1 1262 116 116 PHE HZ H 6.525 0.030 1 1263 116 116 PHE C C 171.845 0.300 1 1264 116 116 PHE CA C 56.151 0.300 1 1265 116 116 PHE CB C 41.189 0.300 1 1266 116 116 PHE CD1 C 132.526 0.300 1 1267 116 116 PHE CD2 C 132.526 0.300 1 1268 116 116 PHE CE1 C 130.320 0.300 1 1269 116 116 PHE CE2 C 130.320 0.300 1 1270 116 116 PHE CZ C 128.827 0.300 1 1271 116 116 PHE N N 120.980 0.300 1 1272 117 117 THR H H 8.380 0.030 1 1273 117 117 THR HA H 5.590 0.030 1 1274 117 117 THR HB H 3.601 0.030 1 1275 117 117 THR HG2 H 1.201 0.030 1 1276 117 117 THR C C 175.525 0.300 1 1277 117 117 THR CA C 60.558 0.300 1 1278 117 117 THR CB C 71.644 0.300 1 1279 117 117 THR CG2 C 20.627 0.300 1 1280 117 117 THR N N 119.075 0.300 1 1281 118 118 THR H H 8.977 0.030 1 1282 118 118 THR HA H 4.274 0.030 1 1283 118 118 THR HB H 5.086 0.030 1 1284 118 118 THR HG2 H 1.311 0.030 1 1285 118 118 THR C C 176.404 0.300 1 1286 118 118 THR CA C 61.441 0.300 1 1287 118 118 THR CB C 69.499 0.300 1 1288 118 118 THR CG2 C 25.280 0.300 1 1289 118 118 THR N N 115.976 0.300 1 1290 119 119 LEU H H 7.213 0.030 1 1291 119 119 LEU HA H 4.211 0.030 1 1292 119 119 LEU HB2 H 1.311 0.030 2 1293 119 119 LEU HB3 H 1.786 0.030 2 1294 119 119 LEU HG H 1.045 0.030 1 1295 119 119 LEU HD1 H 0.891 0.030 1 1296 119 119 LEU HD2 H 0.892 0.030 1 1297 119 119 LEU C C 176.988 0.300 1 1298 119 119 LEU CA C 54.455 0.300 1 1299 119 119 LEU CB C 42.125 0.300 1 1300 119 119 LEU CG C 26.291 0.300 1 1301 119 119 LEU CD1 C 21.325 0.300 2 1302 119 119 LEU CD2 C 21.373 0.300 2 1303 119 119 LEU N N 117.903 0.300 1 1304 120 120 SER H H 8.119 0.030 1 1305 120 120 SER HA H 4.477 0.030 1 1306 120 120 SER HB2 H 3.900 0.030 2 1307 120 120 SER HB3 H 3.950 0.030 2 1308 120 120 SER C C 174.447 0.300 1 1309 120 120 SER CA C 58.706 0.300 1 1310 120 120 SER CB C 64.173 0.300 1 1311 120 120 SER N N 111.562 0.300 1 1312 121 121 CYS H H 8.324 0.030 1 1313 121 121 CYS HA H 4.576 0.030 1 1314 121 121 CYS HB2 H 2.863 0.030 2 1315 121 121 CYS HB3 H 2.898 0.030 2 1316 121 121 CYS C C 173.774 0.300 1 1317 121 121 CYS CA C 57.784 0.300 1 1318 121 121 CYS CB C 28.977 0.300 1 1319 121 121 CYS N N 118.309 0.300 1 1320 122 122 GLU H H 8.615 0.030 1 1321 122 122 GLU HA H 4.607 0.030 1 1322 122 122 GLU HB2 H 1.896 0.030 2 1323 122 122 GLU HB3 H 2.101 0.030 2 1324 122 122 GLU HG2 H 2.332 0.030 1 1325 122 122 GLU HG3 H 2.332 0.030 1 1326 122 122 GLU C C 174.501 0.300 1 1327 122 122 GLU CA C 54.704 0.300 1 1328 122 122 GLU CB C 29.496 0.300 1 1329 122 122 GLU CG C 36.071 0.300 1 1330 122 122 GLU N N 124.130 0.300 1 1331 123 123 PRO HA H 4.416 0.030 1 1332 123 123 PRO HB2 H 1.917 0.030 2 1333 123 123 PRO HB3 H 2.291 0.030 2 1334 123 123 PRO HG2 H 2.023 0.030 1 1335 123 123 PRO HG3 H 2.023 0.030 1 1336 123 123 PRO HD2 H 3.751 0.030 2 1337 123 123 PRO HD3 H 3.810 0.030 2 1338 123 123 PRO C C 176.434 0.300 1 1339 123 123 PRO CA C 63.148 0.300 1 1340 123 123 PRO CB C 32.251 0.300 1 1341 123 123 PRO CG C 27.205 0.300 1 1342 123 123 PRO CD C 50.670 0.300 1 1343 124 124 ASP H H 8.397 0.030 1 1344 124 124 ASP HA H 4.554 0.030 1 1345 124 124 ASP HB2 H 2.567 0.030 2 1346 124 124 ASP HB3 H 2.660 0.030 2 1347 124 124 ASP C C 172.490 0.300 1 1348 124 124 ASP CA C 54.357 0.300 1 1349 124 124 ASP CB C 41.135 0.300 1 1350 124 124 ASP N N 120.479 0.300 1 1351 125 125 ILE H H 7.997 0.030 1 1352 125 125 ILE HA H 4.475 0.030 1 1353 125 125 ILE HB H 1.869 0.030 1 1354 125 125 ILE HG12 H 1.158 0.030 2 1355 125 125 ILE HG13 H 1.485 0.030 2 1356 125 125 ILE HG2 H 0.936 0.030 1 1357 125 125 ILE HD1 H 0.870 0.030 1 1358 125 125 ILE CA C 58.491 0.300 1 1359 125 125 ILE CB C 38.829 0.300 1 1360 125 125 ILE CG1 C 26.821 0.300 1 1361 125 125 ILE CG2 C 17.319 0.300 1 1362 125 125 ILE CD1 C 12.827 0.300 1 1363 125 125 ILE N N 121.985 0.300 1 1364 126 126 PRO HA H 4.389 0.030 1 1365 126 126 PRO HB2 H 1.879 0.030 2 1366 126 126 PRO HB3 H 2.280 0.030 2 1367 126 126 PRO HD2 H 3.694 0.030 2 1368 126 126 PRO HD3 H 3.830 0.030 2 1369 126 126 PRO CA C 63.192 0.300 1 1370 126 126 PRO CB C 32.088 0.300 1 1371 126 126 PRO CG C 27.293 0.300 1 1372 126 126 PRO CD C 51.087 0.300 1 1373 127 127 ASN H H 8.472 0.030 1 1374 127 127 ASN HA H 4.952 0.030 1 1375 127 127 ASN HB2 H 2.630 0.030 2 1376 127 127 ASN HB3 H 2.770 0.030 2 1377 127 127 ASN HD21 H 6.931 0.030 2 1378 127 127 ASN HD22 H 7.607 0.030 2 1379 127 127 ASN CA C 51.453 0.300 1 1380 127 127 ASN CB C 38.735 0.300 1 1381 127 127 ASN N N 119.343 0.300 1 1382 127 127 ASN ND2 N 113.191 0.300 1 1383 128 128 PRO C C 176.754 0.300 1 1384 129 129 PRO HA H 4.407 0.030 1 1385 129 129 PRO HB2 H 1.868 0.030 2 1386 129 129 PRO HB3 H 2.286 0.030 2 1387 129 129 PRO HG2 H 2.032 0.030 1 1388 129 129 PRO HG3 H 2.032 0.030 1 1389 129 129 PRO HD2 H 3.649 0.030 2 1390 129 129 PRO HD3 H 3.802 0.030 2 1391 129 129 PRO CA C 62.912 0.300 1 1392 129 129 PRO CB C 32.048 0.300 1 1393 129 129 PRO CG C 27.387 0.300 1 1394 129 129 PRO CD C 50.358 0.300 1 1395 130 130 ARG H H 8.410 0.030 1 1396 130 130 ARG HA H 4.344 0.030 1 1397 130 130 ARG HB2 H 1.756 0.030 2 1398 130 130 ARG HB3 H 1.814 0.030 2 1399 130 130 ARG HG2 H 1.600 0.030 2 1400 130 130 ARG HG3 H 1.653 0.030 2 1401 130 130 ARG HD2 H 3.201 0.030 1 1402 130 130 ARG HD3 H 3.201 0.030 1 1403 130 130 ARG HE H 7.200 0.030 1 1404 130 130 ARG C C 176.314 0.300 1 1405 130 130 ARG CA C 55.919 0.300 1 1406 130 130 ARG CB C 30.897 0.300 1 1407 130 130 ARG CG C 27.232 0.300 1 1408 130 130 ARG CD C 43.407 0.300 1 1409 130 130 ARG N N 121.646 0.300 1 1410 130 130 ARG NE N 117.248 0.300 1 1411 131 131 ILE H H 8.271 0.030 1 1412 131 131 ILE HA H 4.242 0.030 1 1413 131 131 ILE HB H 1.879 0.030 1 1414 131 131 ILE HG12 H 1.187 0.030 2 1415 131 131 ILE HG13 H 1.458 0.030 2 1416 131 131 ILE HG2 H 0.910 0.030 1 1417 131 131 ILE HD1 H 0.846 0.030 1 1418 131 131 ILE C C 176.185 0.300 1 1419 131 131 ILE CA C 60.971 0.300 1 1420 131 131 ILE CB C 38.887 0.300 1 1421 131 131 ILE CG1 C 27.090 0.300 1 1422 131 131 ILE CG2 C 17.555 0.300 1 1423 131 131 ILE CD1 C 12.995 0.300 1 1424 131 131 ILE N N 122.697 0.300 1 1425 132 132 SER H H 8.418 0.030 1 1426 132 132 SER HA H 4.525 0.030 1 1427 132 132 SER HB2 H 3.856 0.030 1 1428 132 132 SER HB3 H 3.856 0.030 1 1429 132 132 SER C C 174.391 0.300 1 1430 132 132 SER CA C 58.217 0.300 1 1431 132 132 SER CB C 64.055 0.300 1 1432 132 132 SER N N 120.230 0.300 1 1433 133 133 GLY H H 8.250 0.030 1 1434 133 133 GLY HA2 H 4.100 0.030 2 1435 133 133 GLY HA3 H 4.177 0.030 2 1436 133 133 GLY C C 171.702 0.300 1 1437 133 133 GLY CA C 44.663 0.300 1 1438 133 133 GLY N N 110.963 0.300 1 1439 134 134 PRO HA H 4.490 0.030 1 1440 134 134 PRO HB2 H 1.991 0.030 2 1441 134 134 PRO HB3 H 2.319 0.030 2 1442 134 134 PRO HG2 H 2.032 0.030 1 1443 134 134 PRO HG3 H 2.032 0.030 1 1444 134 134 PRO HD2 H 3.630 0.030 1 1445 134 134 PRO HD3 H 3.630 0.030 1 1446 134 134 PRO C C 177.388 0.300 1 1447 134 134 PRO CA C 63.283 0.300 1 1448 134 134 PRO CB C 32.180 0.300 1 1449 134 134 PRO CG C 27.276 0.300 1 1450 134 134 PRO CD C 49.800 0.300 1 1451 135 135 SER H H 8.528 0.030 1 1452 135 135 SER HA H 4.511 0.030 1 1453 135 135 SER HB2 H 3.913 0.030 1 1454 135 135 SER HB3 H 3.913 0.030 1 1455 135 135 SER C C 174.648 0.300 1 1456 135 135 SER CA C 58.339 0.300 1 1457 135 135 SER CB C 63.895 0.300 1 1458 135 135 SER N N 116.350 0.300 1 1459 136 136 SER H H 8.313 0.030 1 1460 136 136 SER HA H 4.518 0.030 1 1461 136 136 SER HB2 H 3.899 0.030 1 1462 136 136 SER HB3 H 3.899 0.030 1 1463 136 136 SER C C 173.928 0.300 1 1464 136 136 SER CA C 58.334 0.300 1 1465 136 136 SER CB C 64.074 0.300 1 1466 136 136 SER N N 117.826 0.300 1 1467 137 137 GLY H H 8.051 0.030 1 1468 137 137 GLY HA2 H 3.797 0.030 1 1469 137 137 GLY HA3 H 3.797 0.030 1 1470 137 137 GLY C C 178.987 0.300 1 1471 137 137 GLY CA C 46.298 0.300 1 1472 137 137 GLY N N 116.883 0.300 1 stop_ save_