data_16269 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; n-NafY. N-terminal domain of NafY ; _BMRB_accession_number 16269 _BMRB_flat_file_name bmr16269.str _Entry_type original _Submission_date 2009-05-01 _Accession_date 2009-05-01 _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 Phillips Aaron H. . 2 Hernandez Jose A. . 3 Erbil Kaya . . 4 Pelton Jeff G. . 5 Wemmer David E. . 6 Rubio Luis M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 408 "13C chemical shifts" 233 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-06 original author . stop_ _Original_release_date 2012-08-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Biological activity and solution structure of the apo-dinitrogenase binding domain of NafY' _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 Phillips Aaron H. . 2 Hernandez Jose A. . 3 Erbil Kaya . . 4 Pelton Jeff G. . 5 Wemmer David E. . 6 Rubio Luis M. . stop_ _Journal_abbreviation 'Not known' _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 n-NafY _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label n-NafY $n-NafY stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_n-NafY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common n-NafY _Molecular_mass 10284.854 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GHMVTPVNMSRETALRIALA ARALPGTTVGQLLEILHQRI EGPLTEESLQGVSVTDLKIG LAGSEEDVDMLDTPMSALKD AVRILWGEAEVDSLPQPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 HIS 3 1 MET 4 2 VAL 5 3 THR 6 4 PRO 7 5 VAL 8 6 ASN 9 7 MET 10 8 SER 11 9 ARG 12 10 GLU 13 11 THR 14 12 ALA 15 13 LEU 16 14 ARG 17 15 ILE 18 16 ALA 19 17 LEU 20 18 ALA 21 19 ALA 22 20 ARG 23 21 ALA 24 22 LEU 25 23 PRO 26 24 GLY 27 25 THR 28 26 THR 29 27 VAL 30 28 GLY 31 29 GLN 32 30 LEU 33 31 LEU 34 32 GLU 35 33 ILE 36 34 LEU 37 35 HIS 38 36 GLN 39 37 ARG 40 38 ILE 41 39 GLU 42 40 GLY 43 41 PRO 44 42 LEU 45 43 THR 46 44 GLU 47 45 GLU 48 46 SER 49 47 LEU 50 48 GLN 51 49 GLY 52 50 VAL 53 51 SER 54 52 VAL 55 53 THR 56 54 ASP 57 55 LEU 58 56 LYS 59 57 ILE 60 58 GLY 61 59 LEU 62 60 ALA 63 61 GLY 64 62 SER 65 63 GLU 66 64 GLU 67 65 ASP 68 66 VAL 69 67 ASP 70 68 MET 71 69 LEU 72 70 ASP 73 71 THR 74 72 PRO 75 73 MET 76 74 SER 77 75 ALA 78 76 LEU 79 77 LYS 80 78 ASP 81 79 ALA 82 80 VAL 83 81 ARG 84 82 ILE 85 83 LEU 86 84 TRP 87 85 GLY 88 86 GLU 89 87 ALA 90 88 GLU 91 89 VAL 92 90 ASP 93 91 SER 94 92 LEU 95 93 PRO 96 94 GLN 97 95 PRO 98 96 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2KIC "N-Nafy. N-Terminal Domain Of Nafy" 100.00 98 100.00 100.00 3.56e-61 GB AAG29822 "nitrogenase gamma subunit [Azotobacter vinelandii DJ]" 97.96 243 100.00 100.00 6.57e-58 GB ACO81178 "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii DJ]" 97.96 243 100.00 100.00 6.57e-58 GB AGK13761 "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii CA]" 97.96 243 100.00 100.00 6.57e-58 GB AGK18361 "Nitrogen fixation-related protein, gamma subunit [Azotobacter vinelandii CA6]" 97.96 243 100.00 100.00 6.57e-58 REF WP_012703531 "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Azotobacter vinelandii]" 97.96 243 100.00 100.00 6.57e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $n-NafY 'Azotobacter Vinelandii' 354 Bacteria . Azotobacter Vinelandii nafY 'N-terminal Domain of NafY, the Gamma subunit of Nitrogenase' 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 $n-NafY 'recombinant technology' . Escherichia coli 'BL21 DE3' pSKB3 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 $n-NafY 1 mM '[U-100% 13C; U-100% 15N]' NaCl 140 mM 'natural abundance' KCl 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 0.02 '% (w/v)' 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $n-NafY 1 mM '[U-100% 13C; U-100% 15N]' NaCl 140 mM 'natural abundance' KCl 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' EDTA 2 mM 'natural abundance' NaN3 0.02 '% (w/v)' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name n-NafY _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 7 9 MET H H 9.275 0.020 1 2 7 9 MET CA C 56.716 0.300 1 3 7 9 MET N N 119.236 0.300 1 4 8 10 SER H H 9.226 0.020 1 5 8 10 SER HA H 4.469 0.020 1 6 8 10 SER HB2 H 4.150 0.020 2 7 8 10 SER HB3 H 4.457 0.020 2 8 8 10 SER CA C 56.664 0.300 1 9 8 10 SER CB C 64.326 0.300 1 10 8 10 SER N N 118.337 0.300 1 11 9 11 ARG H H 8.950 0.020 1 12 9 11 ARG HA H 3.990 0.020 1 13 9 11 ARG HB2 H 1.907 0.020 2 14 9 11 ARG HB3 H 1.812 0.020 2 15 9 11 ARG HD2 H 3.190 0.020 2 16 9 11 ARG HD3 H 3.232 0.020 2 17 9 11 ARG HG2 H 1.601 0.020 2 18 9 11 ARG HG3 H 1.743 0.020 2 19 9 11 ARG CA C 58.636 0.300 1 20 9 11 ARG CB C 29.099 0.300 1 21 9 11 ARG CD C 42.558 0.300 1 22 9 11 ARG CG C 26.700 0.300 1 23 9 11 ARG N N 119.892 0.300 1 24 10 12 GLU H H 8.823 0.020 1 25 10 12 GLU HA H 4.011 0.020 1 26 10 12 GLU HB2 H 2.158 0.020 2 27 10 12 GLU HB3 H 1.941 0.020 2 28 10 12 GLU HG2 H 2.479 0.020 2 29 10 12 GLU HG3 H 2.952 0.020 2 30 10 12 GLU CA C 59.369 0.300 1 31 10 12 GLU CB C 28.174 0.300 1 32 10 12 GLU N N 116.657 0.300 1 33 11 13 THR H H 7.833 0.020 1 34 11 13 THR HA H 4.067 0.020 1 35 11 13 THR HB H 3.487 0.020 1 36 11 13 THR HG2 H 0.955 0.020 . 37 11 13 THR CA C 66.971 0.300 1 38 11 13 THR CB C 67.115 0.300 1 39 11 13 THR CG2 C 21.191 0.300 1 40 11 13 THR N N 116.513 0.300 1 41 12 14 ALA H H 8.112 0.020 1 42 12 14 ALA HA H 3.872 0.020 1 43 12 14 ALA HB H 1.395 0.020 . 44 12 14 ALA CA C 54.942 0.300 1 45 12 14 ALA CB C 17.634 0.300 1 46 12 14 ALA N N 119.623 0.300 1 47 13 15 LEU H H 8.156 0.020 1 48 13 15 LEU HA H 4.130 0.020 1 49 13 15 LEU HB2 H 1.676 0.020 2 50 13 15 LEU HB3 H 1.755 0.020 2 51 13 15 LEU HD1 H 0.870 0.020 . 52 13 15 LEU HD2 H 0.898 0.020 . 53 13 15 LEU HG H 1.637 0.020 1 54 13 15 LEU CA C 57.198 0.300 1 55 13 15 LEU CB C 41.250 0.300 1 56 13 15 LEU CD1 C 24.200 0.300 2 57 13 15 LEU CG C 26.261 0.300 1 58 13 15 LEU N N 117.934 0.300 1 59 14 16 ARG H H 7.954 0.020 1 60 14 16 ARG HA H 3.779 0.020 1 61 14 16 ARG HB2 H 1.761 0.020 2 62 14 16 ARG HB3 H 2.021 0.020 2 63 14 16 ARG HG2 H 1.624 0.020 2 64 14 16 ARG HG3 H 1.624 0.020 2 65 14 16 ARG CA C 59.610 0.300 1 66 14 16 ARG CB C 30.238 0.300 1 67 14 16 ARG CG C 27.084 0.300 1 68 14 16 ARG N N 115.845 0.300 1 69 15 17 ILE H H 7.762 0.020 1 70 15 17 ILE HA H 3.424 0.020 1 71 15 17 ILE HB H 1.790 0.020 1 72 15 17 ILE HD1 H 0.701 0.020 . 73 15 17 ILE HG12 H 1.713 0.020 . 74 15 17 ILE HG13 H 1.713 0.020 . 75 15 17 ILE HG2 H 0.754 0.020 . 76 15 17 ILE CA C 65.109 0.300 1 77 15 17 ILE CB C 37.792 0.300 1 78 15 17 ILE CG2 C 16.525 0.300 1 79 15 17 ILE N N 115.225 0.300 1 80 16 18 ALA H H 7.974 0.020 1 81 16 18 ALA HA H 4.004 0.020 1 82 16 18 ALA HB H 1.478 0.020 . 83 16 18 ALA CA C 54.756 0.300 1 84 16 18 ALA CB C 17.335 0.300 1 85 16 18 ALA N N 119.079 0.300 1 86 17 19 LEU H H 8.585 0.020 1 87 17 19 LEU HA H 4.008 0.020 1 88 17 19 LEU HB2 H 1.855 0.020 2 89 17 19 LEU HB3 H 1.412 0.020 2 90 17 19 LEU HD1 H 0.848 0.020 . 91 17 19 LEU HD2 H 0.802 0.020 . 92 17 19 LEU HG H 1.793 0.020 1 93 17 19 LEU CA C 56.764 0.300 1 94 17 19 LEU CB C 41.152 0.300 1 95 17 19 LEU CD1 C 24.675 0.300 2 96 17 19 LEU CD2 C 22.062 0.300 2 97 17 19 LEU CG C 26.287 0.300 1 98 17 19 LEU N N 116.740 0.300 1 99 18 20 ALA H H 8.625 0.020 1 100 18 20 ALA HA H 3.938 0.020 1 101 18 20 ALA HB H 1.348 0.020 . 102 18 20 ALA CA C 54.556 0.300 1 103 18 20 ALA CB C 17.993 0.300 1 104 18 20 ALA N N 122.630 0.300 1 105 19 21 ALA H H 8.115 0.020 1 106 19 21 ALA HA H 3.802 0.020 1 107 19 21 ALA HB H 1.326 0.020 . 108 19 21 ALA CA C 54.742 0.300 1 109 19 21 ALA CB C 16.591 0.300 1 110 19 21 ALA N N 115.272 0.300 1 111 20 22 ARG H H 7.371 0.020 1 112 20 22 ARG HA H 4.008 0.020 1 113 20 22 ARG HB2 H 1.926 0.020 2 114 20 22 ARG HB3 H 1.982 0.020 2 115 20 22 ARG HD2 H 3.167 0.020 2 116 20 22 ARG HD3 H 3.210 0.020 2 117 20 22 ARG HG2 H 1.863 0.020 2 118 20 22 ARG HG3 H 1.698 0.020 2 119 20 22 ARG CA C 57.439 0.300 1 120 20 22 ARG CB C 29.314 0.300 1 121 20 22 ARG CD C 43.072 0.300 1 122 20 22 ARG CG C 26.787 0.300 1 123 20 22 ARG N N 114.002 0.300 1 124 21 23 ALA H H 7.299 0.020 1 125 21 23 ALA HA H 4.189 0.020 1 126 21 23 ALA HB H 1.438 0.020 . 127 21 23 ALA CA C 52.000 0.300 1 128 21 23 ALA CB C 18.101 0.300 1 129 21 23 ALA N N 117.797 0.300 1 130 22 24 LEU H H 7.211 0.020 1 131 22 24 LEU HA H 4.660 0.020 1 132 22 24 LEU HB2 H 1.345 0.020 2 133 22 24 LEU HB3 H 1.976 0.020 2 134 22 24 LEU HD1 H 0.754 0.020 . 135 22 24 LEU HD2 H 0.666 0.020 . 136 22 24 LEU HG H 1.757 0.020 1 137 22 24 LEU CA C 50.334 0.300 1 138 22 24 LEU CB C 41.552 0.300 1 139 22 24 LEU CD1 C 25.942 0.300 2 140 22 24 LEU CD2 C 23.315 0.300 2 141 22 24 LEU CG C 24.704 0.300 1 142 22 24 LEU N N 116.774 0.300 1 143 23 25 PRO HA H 4.361 0.020 1 144 23 25 PRO HB2 H 1.930 0.020 2 145 23 25 PRO HB3 H 2.244 0.020 2 146 23 25 PRO HD2 H 3.551 0.020 2 147 23 25 PRO HD3 H 3.948 0.020 2 148 23 25 PRO HG2 H 2.002 0.020 2 149 23 25 PRO HG3 H 2.121 0.020 2 150 23 25 PRO CA C 63.214 0.300 1 151 23 25 PRO CB C 30.918 0.300 1 152 23 25 PRO CD C 49.947 0.300 1 153 23 25 PRO CG C 26.937 0.300 1 154 24 26 GLY H H 8.857 0.020 1 155 24 26 GLY HA2 H 4.057 0.020 2 156 24 26 GLY HA3 H 3.805 0.020 2 157 24 26 GLY CA C 45.382 0.300 1 158 24 26 GLY N N 110.609 0.300 1 159 25 27 THR H H 7.782 0.020 1 160 25 27 THR HA H 4.757 0.020 1 161 25 27 THR HB H 3.958 0.020 1 162 25 27 THR HG2 H 1.148 0.020 . 163 25 27 THR CA C 61.423 0.300 1 164 25 27 THR CB C 69.931 0.300 1 165 25 27 THR CG2 C 20.766 0.300 1 166 25 27 THR N N 115.540 0.300 1 167 26 28 THR H H 8.417 0.020 1 168 26 28 THR HA H 4.592 0.020 1 169 26 28 THR HB H 4.621 0.020 1 170 26 28 THR HG2 H 1.239 0.020 . 171 26 28 THR CA C 59.128 0.300 1 172 26 28 THR CB C 71.090 0.300 1 173 26 28 THR CG2 C 21.087 0.300 1 174 26 28 THR N N 113.453 0.300 1 175 27 29 VAL H H 8.837 0.020 1 176 27 29 VAL HA H 3.480 0.020 1 177 27 29 VAL HB H 2.029 0.020 1 178 27 29 VAL HG1 H 1.041 0.020 . 179 27 29 VAL HG2 H 0.925 0.020 . 180 27 29 VAL CA C 66.157 0.300 1 181 27 29 VAL CB C 31.049 0.300 1 182 27 29 VAL CG1 C 22.450 0.300 2 183 27 29 VAL CG2 C 22.700 0.300 2 184 27 29 VAL N N 118.600 0.300 1 185 28 30 GLY H H 8.470 0.020 1 186 28 30 GLY HA2 H 3.718 0.020 2 187 28 30 GLY HA3 H 3.853 0.020 2 188 28 30 GLY CA C 46.490 0.300 1 189 28 30 GLY N N 120.590 0.300 1 190 29 31 GLN H H 7.853 0.020 1 191 29 31 GLN HA H 4.074 0.020 1 192 29 31 GLN HB2 H 1.939 0.020 2 193 29 31 GLN HB3 H 2.291 0.020 2 194 29 31 GLN HG2 H 2.423 0.020 2 195 29 31 GLN CA C 57.777 0.300 1 196 29 31 GLN CB C 28.376 0.300 1 197 29 31 GLN CG C 33.595 0.300 1 198 29 31 GLN N N 119.532 0.300 1 199 30 32 LEU H H 8.190 0.020 1 200 30 32 LEU HA H 4.076 0.020 1 201 30 32 LEU HB2 H 1.267 0.020 2 202 30 32 LEU HB3 H 1.694 0.020 2 203 30 32 LEU HG H 1.993 0.020 1 204 30 32 LEU CA C 56.938 0.300 1 205 30 32 LEU CB C 40.292 0.300 1 206 30 32 LEU N N 118.586 0.300 1 207 31 33 LEU H H 8.881 0.020 1 208 31 33 LEU HA H 3.692 0.020 1 209 31 33 LEU CA C 57.970 0.300 1 210 31 33 LEU N N 117.497 0.300 1 211 32 34 GLU H H 7.500 0.020 1 212 32 34 GLU HA H 4.128 0.020 1 213 32 34 GLU HB2 H 2.175 0.020 2 214 32 34 GLU HB3 H 2.357 0.020 2 215 32 34 GLU N N 115.487 0.300 1 216 33 35 ILE H H 7.704 0.020 1 217 33 35 ILE N N 117.389 0.300 1 218 34 36 LEU H H 8.623 0.020 1 219 34 36 LEU N N 116.909 0.300 1 220 39 41 GLU H H 8.033 0.020 1 221 39 41 GLU HA H 4.385 0.020 1 222 39 41 GLU HB2 H 1.797 0.020 2 223 39 41 GLU HB3 H 2.025 0.020 2 224 39 41 GLU HG2 H 2.344 0.020 2 225 39 41 GLU HG3 H 2.344 0.020 2 226 39 41 GLU CA C 52.386 0.300 1 227 39 41 GLU CB C 29.600 0.300 1 228 39 41 GLU CG C 32.554 0.300 1 229 39 41 GLU N N 116.587 0.300 1 230 40 42 GLY H H 8.184 0.020 1 231 40 42 GLY HA2 H 4.196 0.020 2 232 40 42 GLY HA3 H 4.335 0.020 2 233 40 42 GLY CA C 43.414 0.300 1 234 40 42 GLY N N 111.448 0.300 1 235 42 44 LEU HA H 3.771 0.020 1 236 42 44 LEU CA C 57.745 0.300 1 237 43 45 THR H H 8.243 0.020 1 238 43 45 THR HA H 4.733 0.020 1 239 43 45 THR HB H 4.670 0.020 1 240 43 45 THR HG1 H 5.916 0.020 1 241 43 45 THR HG2 H 1.143 0.020 . 242 43 45 THR CA C 58.308 0.300 1 243 43 45 THR CB C 72.855 0.300 1 244 43 45 THR CG2 C 20.835 0.300 1 245 43 45 THR N N 114.252 0.300 1 246 44 46 GLU H H 9.650 0.020 1 247 44 46 GLU HA H 3.784 0.020 1 248 44 46 GLU HB2 H 1.994 0.020 2 249 44 46 GLU HG2 H 2.236 0.020 2 250 44 46 GLU CA C 60.446 0.300 1 251 44 46 GLU CB C 28.185 0.300 1 252 44 46 GLU N N 118.764 0.300 1 253 45 47 GLU H H 8.059 0.020 1 254 45 47 GLU HA H 4.096 0.020 1 255 45 47 GLU HB2 H 1.872 0.020 2 256 45 47 GLU HB3 H 1.956 0.020 2 257 45 47 GLU HG2 H 2.218 0.020 2 258 45 47 GLU CA C 58.557 0.300 1 259 45 47 GLU CB C 29.233 0.300 1 260 45 47 GLU N N 112.863 0.300 1 261 46 48 SER H H 8.627 0.020 1 262 46 48 SER HA H 4.207 0.020 1 263 46 48 SER HB2 H 4.038 0.020 2 264 46 48 SER HG H 5.179 0.020 1 265 46 48 SER CA C 59.870 0.300 1 266 46 48 SER CB C 62.393 0.300 1 267 46 48 SER N N 117.017 0.300 1 268 47 49 LEU H H 8.270 0.020 1 269 47 49 LEU HA H 4.136 0.020 1 270 47 49 LEU HB2 H 1.692 0.020 2 271 47 49 LEU HB3 H 1.943 0.020 2 272 47 49 LEU HD1 H 0.879 0.020 . 273 47 49 LEU CA C 57.198 0.300 1 274 47 49 LEU CB C 41.342 0.300 1 275 47 49 LEU CD1 C 19.748 0.300 2 276 47 49 LEU N N 121.350 0.300 1 277 48 50 GLN H H 7.126 0.020 1 278 48 50 GLN HA H 3.797 0.020 1 279 48 50 GLN HB2 H 1.804 0.020 2 280 48 50 GLN HB3 H 1.994 0.020 2 281 48 50 GLN HG2 H 2.284 0.020 2 282 48 50 GLN HG3 H 2.590 0.020 2 283 48 50 GLN CA C 56.668 0.300 1 284 48 50 GLN CB C 26.856 0.300 1 285 48 50 GLN CG C 34.173 0.300 1 286 48 50 GLN N N 110.958 0.300 1 287 49 51 GLY H H 7.472 0.020 1 288 49 51 GLY HA2 H 4.165 0.020 2 289 49 51 GLY HA3 H 3.737 0.020 2 290 49 51 GLY CA C 44.185 0.300 1 291 49 51 GLY N N 117.093 0.300 1 292 50 52 VAL H H 7.385 0.020 1 293 50 52 VAL HA H 4.248 0.020 1 294 50 52 VAL HB H 2.271 0.020 1 295 50 52 VAL HG1 H 0.951 0.020 . 296 50 52 VAL HG2 H 1.072 0.020 . 297 50 52 VAL CA C 61.877 0.300 1 298 50 52 VAL CB C 31.907 0.300 1 299 50 52 VAL CG1 C 20.827 0.300 2 300 50 52 VAL CG2 C 22.519 0.300 2 301 50 52 VAL N N 118.822 0.300 1 302 51 53 SER H H 9.320 0.020 1 303 51 53 SER HA H 5.224 0.020 1 304 51 53 SER HB2 H 4.056 0.020 2 305 51 53 SER HB3 H 4.468 0.020 2 306 51 53 SER CA C 55.385 0.300 1 307 51 53 SER CB C 67.365 0.300 1 308 51 53 SER N N 119.913 0.300 1 309 52 54 VAL H H 9.043 0.020 1 310 52 54 VAL HA H 3.468 0.020 1 311 52 54 VAL HB H 2.069 0.020 1 312 52 54 VAL HG1 H 0.950 0.020 . 313 52 54 VAL HG2 H 0.904 0.020 . 314 52 54 VAL CA C 66.386 0.300 1 315 52 54 VAL CB C 31.010 0.300 1 316 52 54 VAL CG1 C 22.490 0.300 2 317 52 54 VAL N N 117.169 0.300 1 318 53 55 THR H H 7.871 0.020 1 319 53 55 THR HA H 3.750 0.020 1 320 53 55 THR HB H 4.040 0.020 1 321 53 55 THR HG2 H 1.214 0.020 . 322 53 55 THR CA C 66.315 0.300 1 323 53 55 THR CB C 67.858 0.300 1 324 53 55 THR CG2 C 21.556 0.300 1 325 53 55 THR N N 113.246 0.300 1 326 54 56 ASP H H 7.739 0.020 1 327 54 56 ASP HA H 4.220 0.020 1 328 54 56 ASP HB2 H 2.293 0.020 2 329 54 56 ASP HB3 H 3.221 0.020 2 330 54 56 ASP CA C 57.439 0.300 1 331 54 56 ASP CB C 40.982 0.300 1 332 54 56 ASP N N 118.059 0.300 1 333 55 57 LEU H H 7.442 0.020 1 334 55 57 LEU HA H 3.892 0.020 1 335 55 57 LEU HB2 H 1.356 0.020 2 336 55 57 LEU HB3 H 1.720 0.020 2 337 55 57 LEU HD1 H 0.752 0.020 . 338 55 57 LEU HD2 H 0.629 0.020 . 339 55 57 LEU HG H 1.639 0.020 1 340 55 57 LEU CA C 57.005 0.300 1 341 55 57 LEU CB C 41.091 0.300 1 342 55 57 LEU CD1 C 23.127 0.300 2 343 55 57 LEU CD2 C 23.369 0.300 2 344 55 57 LEU CG C 26.250 0.300 1 345 55 57 LEU N N 114.899 0.300 1 346 56 58 LYS H H 8.480 0.020 1 347 56 58 LYS HA H 3.727 0.020 1 348 56 58 LYS HB2 H 1.869 0.020 2 349 56 58 LYS HD2 H 1.751 0.020 2 350 56 58 LYS HE2 H 2.870 0.020 2 351 56 58 LYS HE3 H 2.923 0.020 2 352 56 58 LYS HG2 H 1.283 0.020 2 353 56 58 LYS HG3 H 1.560 0.020 2 354 56 58 LYS CA C 60.016 0.300 1 355 56 58 LYS CB C 32.371 0.300 1 356 56 58 LYS CD C 31.390 0.300 1 357 56 58 LYS CE C 41.102 0.300 1 358 56 58 LYS CG C 25.411 0.300 1 359 56 58 LYS N N 117.148 0.300 1 360 57 59 ILE H H 8.307 0.020 1 361 57 59 ILE HA H 3.523 0.020 1 362 57 59 ILE HB H 1.712 0.020 1 363 57 59 ILE HD1 H 0.820 0.020 . 364 57 59 ILE HG12 H 1.774 0.020 . 365 57 59 ILE HG13 H 1.774 0.020 . 366 57 59 ILE HG2 H 0.763 0.020 . 367 57 59 ILE CA C 64.192 0.300 1 368 57 59 ILE CB C 37.600 0.300 1 369 57 59 ILE CD1 C 13.136 0.300 1 370 57 59 ILE CG1 C 28.972 0.300 1 371 57 59 ILE CG2 C 16.608 0.300 1 372 57 59 ILE N N 115.449 0.300 1 373 58 60 GLY H H 8.019 0.020 1 374 58 60 GLY HA2 H 3.589 0.020 2 375 58 60 GLY HA3 H 3.870 0.020 2 376 58 60 GLY CA C 46.656 0.300 1 377 58 60 GLY N N 120.793 0.300 1 378 59 61 LEU H H 8.583 0.020 1 379 59 61 LEU HA H 4.070 0.020 1 380 59 61 LEU HB2 H 1.412 0.020 2 381 59 61 LEU HB3 H 1.824 0.020 2 382 59 61 LEU HD1 H 0.773 0.020 . 383 59 61 LEU HG H 1.723 0.020 1 384 59 61 LEU CA C 56.233 0.300 1 385 59 61 LEU CB C 42.007 0.300 1 386 59 61 LEU CD1 C 25.713 0.300 2 387 59 61 LEU CG C 26.734 0.300 1 388 59 61 LEU N N 119.042 0.300 1 389 60 62 ALA H H 8.080 0.020 1 390 60 62 ALA HA H 4.213 0.020 1 391 60 62 ALA HB H 1.471 0.020 . 392 60 62 ALA CA C 52.820 0.300 1 393 60 62 ALA CB C 19.279 0.300 1 394 60 62 ALA N N 118.467 0.300 1 395 61 63 GLY H H 8.014 0.020 1 396 61 63 GLY HA2 H 4.225 0.020 2 397 61 63 GLY HA3 H 3.772 0.020 2 398 61 63 GLY CA C 44.812 0.300 1 399 61 63 GLY N N 119.896 0.300 1 400 62 64 SER H H 7.684 0.020 1 401 62 64 SER HA H 4.476 0.020 1 402 62 64 SER HB2 H 3.887 0.020 2 403 62 64 SER HB3 H 4.017 0.020 2 404 62 64 SER CA C 57.116 0.300 1 405 62 64 SER CB C 63.809 0.300 1 406 62 64 SER N N 110.846 0.300 1 407 63 65 GLU H H 8.876 0.020 1 408 63 65 GLU HA H 4.096 0.020 1 409 63 65 GLU HB2 H 1.961 0.020 2 410 63 65 GLU HB3 H 2.049 0.020 2 411 63 65 GLU HG2 H 2.301 0.020 2 412 63 65 GLU CA C 57.777 0.300 1 413 63 65 GLU CB C 29.224 0.300 1 414 63 65 GLU CG C 35.950 0.300 1 415 63 65 GLU N N 119.431 0.300 1 416 64 66 GLU H H 8.487 0.020 1 417 64 66 GLU HA H 4.128 0.020 1 418 64 66 GLU HB2 H 1.911 0.020 2 419 64 66 GLU HB3 H 1.986 0.020 2 420 64 66 GLU HG2 H 2.282 0.020 2 421 64 66 GLU CA C 57.171 0.300 1 422 64 66 GLU CB C 29.134 0.300 1 423 64 66 GLU CG C 35.598 0.300 1 424 64 66 GLU N N 116.443 0.300 1 425 65 67 ASP H H 7.752 0.020 1 426 65 67 ASP HA H 4.772 0.020 1 427 65 67 ASP HB2 H 2.420 0.020 2 428 65 67 ASP HB3 H 2.904 0.020 2 429 65 67 ASP CA C 53.881 0.300 1 430 65 67 ASP CB C 40.606 0.300 1 431 65 67 ASP N N 116.326 0.300 1 432 66 68 VAL H H 7.564 0.020 1 433 66 68 VAL HA H 3.761 0.020 1 434 66 68 VAL HB H 2.105 0.020 1 435 66 68 VAL HG1 H 0.974 0.020 . 436 66 68 VAL HG2 H 0.956 0.020 . 437 66 68 VAL CA C 63.855 0.300 1 438 66 68 VAL CB C 31.738 0.300 1 439 66 68 VAL CG1 C 20.486 0.300 2 440 66 68 VAL CG2 C 20.952 0.300 2 441 66 68 VAL N N 116.892 0.300 1 442 67 69 ASP H H 8.416 0.020 1 443 67 69 ASP HA H 4.550 0.020 1 444 67 69 ASP HB2 H 2.592 0.020 2 445 67 69 ASP HB3 H 2.707 0.020 2 446 67 69 ASP CA C 55.039 0.300 1 447 67 69 ASP CB C 39.660 0.300 1 448 67 69 ASP N N 117.848 0.300 1 449 68 70 MET H H 7.835 0.020 1 450 68 70 MET HA H 4.457 0.020 1 451 68 70 MET HB2 H 2.046 0.020 2 452 68 70 MET HB3 H 2.171 0.020 2 453 68 70 MET HG2 H 2.495 0.020 2 454 68 70 MET HG3 H 2.619 0.020 2 455 68 70 MET CA C 54.460 0.300 1 456 68 70 MET CB C 31.819 0.300 1 457 68 70 MET CG C 31.639 0.300 1 458 68 70 MET N N 115.996 0.300 1 459 69 71 LEU H H 7.658 0.020 1 460 69 71 LEU HA H 4.254 0.020 1 461 69 71 LEU HB2 H 1.613 0.020 2 462 69 71 LEU HB3 H 1.727 0.020 2 463 69 71 LEU HD1 H 0.925 0.020 . 464 69 71 LEU HD2 H 0.940 0.020 . 465 69 71 LEU HG H 1.647 0.020 1 466 69 71 LEU CA C 54.990 0.300 1 467 69 71 LEU CB C 42.241 0.300 1 468 69 71 LEU CD1 C 24.367 0.300 2 469 69 71 LEU CD2 C 24.247 0.300 2 470 69 71 LEU CG C 26.245 0.300 1 471 69 71 LEU N N 119.625 0.300 1 472 70 72 ASP H H 8.600 0.020 1 473 70 72 ASP HA H 4.596 0.020 1 474 70 72 ASP HB2 H 2.662 0.020 2 475 70 72 ASP CA C 53.495 0.300 1 476 70 72 ASP CB C 39.873 0.300 1 477 70 72 ASP N N 121.204 0.300 1 478 71 73 THR H H 7.408 0.020 1 479 71 73 THR HA H 4.326 0.020 1 480 71 73 THR HB H 3.700 0.020 1 481 71 73 THR HG2 H 1.187 0.020 . 482 71 73 THR CA C 60.526 0.300 1 483 71 73 THR CB C 69.711 0.300 1 484 71 73 THR CG2 C 21.125 0.300 1 485 71 73 THR N N 116.355 0.300 1 486 72 74 PRO HA H 4.445 0.020 1 487 72 74 PRO HB2 H 2.423 0.020 2 488 72 74 PRO HB3 H 2.049 0.020 2 489 72 74 PRO HD2 H 3.550 0.020 2 490 72 74 PRO HD3 H 4.020 0.020 2 491 72 74 PRO HG2 H 2.060 0.020 2 492 72 74 PRO HG3 H 2.090 0.020 2 493 72 74 PRO CA C 62.118 0.300 1 494 72 74 PRO CB C 31.639 0.300 1 495 72 74 PRO CD C 50.730 0.300 1 496 72 74 PRO CG C 27.000 0.300 1 497 73 75 MET H H 8.852 0.020 1 498 73 75 MET HA H 4.311 0.020 1 499 73 75 MET HB2 H 2.176 0.020 2 500 73 75 MET HB3 H 2.012 0.020 2 501 73 75 MET HE H 1.595 0.020 . 502 73 75 MET HG2 H 2.689 0.020 2 503 73 75 MET HG3 H 2.648 0.020 2 504 73 75 MET CA C 56.523 0.300 1 505 73 75 MET CB C 30.079 0.300 1 506 73 75 MET CG C 31.683 0.300 1 507 73 75 MET N N 121.001 0.300 1 508 74 76 SER H H 8.627 0.020 1 509 74 76 SER HA H 3.943 0.020 1 510 74 76 SER HB2 H 3.904 0.020 2 511 74 76 SER HB3 H 3.846 0.020 2 512 74 76 SER CA C 60.393 0.300 1 513 74 76 SER CB C 60.830 0.300 1 514 74 76 SER N N 110.987 0.300 1 515 75 77 ALA H H 7.036 0.020 1 516 75 77 ALA HA H 4.336 0.020 1 517 75 77 ALA HB H 1.655 0.020 . 518 75 77 ALA CA C 54.116 0.300 1 519 75 77 ALA CB C 17.659 0.300 1 520 75 77 ALA N N 122.675 0.300 1 521 76 78 LEU H H 7.293 0.020 1 522 76 78 LEU HA H 3.786 0.020 1 523 76 78 LEU HB2 H 1.339 0.020 2 524 76 78 LEU HB3 H 2.096 0.020 2 525 76 78 LEU HD1 H 0.827 0.020 . 526 76 78 LEU HD2 H 0.719 0.020 . 527 76 78 LEU HG H 1.607 0.020 1 528 76 78 LEU CA C 57.777 0.300 1 529 76 78 LEU CB C 41.424 0.300 1 530 76 78 LEU CD1 C 25.623 0.300 2 531 76 78 LEU CD2 C 23.922 0.300 2 532 76 78 LEU CG C 27.051 0.300 1 533 76 78 LEU N N 114.788 0.300 1 534 77 79 LYS H H 8.232 0.020 1 535 77 79 LYS HA H 3.610 0.020 1 536 77 79 LYS HB2 H 1.752 0.020 2 537 77 79 LYS HD2 H 1.605 0.020 2 538 77 79 LYS HE2 H 2.857 0.020 2 539 77 79 LYS HE3 H 2.893 0.020 2 540 77 79 LYS HG2 H 1.294 0.020 2 541 77 79 LYS HG3 H 1.533 0.020 2 542 77 79 LYS CA C 58.952 0.300 1 543 77 79 LYS CB C 31.369 0.300 1 544 77 79 LYS CD C 29.121 0.300 1 545 77 79 LYS CE C 41.021 0.300 1 546 77 79 LYS CG C 25.405 0.300 1 547 77 79 LYS N N 114.334 0.300 1 548 78 80 ASP H H 7.757 0.020 1 549 78 80 ASP HA H 4.270 0.020 1 550 78 80 ASP HB2 H 2.508 0.020 2 551 78 80 ASP HB3 H 2.848 0.020 2 552 78 80 ASP CA C 56.523 0.300 1 553 78 80 ASP CB C 39.843 0.300 1 554 78 80 ASP N N 117.851 0.300 1 555 79 81 ALA H H 8.218 0.020 1 556 79 81 ALA HA H 3.784 0.020 1 557 79 81 ALA HB H 1.326 0.020 . 558 79 81 ALA CA C 54.846 0.300 1 559 79 81 ALA CB C 17.724 0.300 1 560 79 81 ALA N N 117.835 0.300 1 561 80 82 VAL H H 7.850 0.020 1 562 80 82 VAL HA H 3.191 0.020 1 563 80 82 VAL HB H 1.470 0.020 1 564 80 82 VAL HG1 H 0.627 0.020 . 565 80 82 VAL HG2 H 0.032 0.020 . 566 80 82 VAL CA C 66.218 0.300 1 567 80 82 VAL CB C 29.899 0.300 1 568 80 82 VAL CG1 C 20.472 0.300 2 569 80 82 VAL CG2 C 22.830 0.300 2 570 80 82 VAL N N 113.132 0.300 1 571 81 83 ARG H H 7.380 0.020 1 572 81 83 ARG HA H 3.546 0.020 1 573 81 83 ARG HB2 H 1.790 0.020 2 574 81 83 ARG HD2 H 3.102 0.020 2 575 81 83 ARG HD3 H 3.149 0.020 2 576 81 83 ARG HG2 H 1.528 0.020 2 577 81 83 ARG HG3 H 1.687 0.020 2 578 81 83 ARG CA C 59.079 0.300 1 579 81 83 ARG CB C 28.954 0.300 1 580 81 83 ARG CD C 42.646 0.300 1 581 81 83 ARG CG C 27.249 0.300 1 582 81 83 ARG N N 115.851 0.300 1 583 82 84 ILE H H 7.630 0.020 1 584 82 84 ILE HA H 3.648 0.020 1 585 82 84 ILE HB H 1.798 0.020 1 586 82 84 ILE HD1 H 0.627 0.020 . 587 82 84 ILE HG12 H 1.733 0.020 . 588 82 84 ILE HG13 H 1.733 0.020 . 589 82 84 ILE HG2 H 0.919 0.020 . 590 82 84 ILE CA C 64.471 0.300 1 591 82 84 ILE CB C 37.706 0.300 1 592 82 84 ILE CD1 C 14.202 0.300 1 593 82 84 ILE CG2 C 18.459 0.300 1 594 82 84 ILE N N 116.727 0.300 1 595 83 85 LEU H H 8.181 0.020 1 596 83 85 LEU HA H 3.867 0.020 1 597 83 85 LEU HB2 H 1.398 0.020 2 598 83 85 LEU HB3 H 2.155 0.020 2 599 83 85 LEU HD1 H 0.755 0.020 . 600 83 85 LEU HD2 H 0.677 0.020 . 601 83 85 LEU HG H 1.751 0.020 1 602 83 85 LEU CA C 57.777 0.300 1 603 83 85 LEU CB C 39.815 0.300 1 604 83 85 LEU CD1 C 25.790 0.300 2 605 83 85 LEU CD2 C 23.295 0.300 2 606 83 85 LEU CG C 25.554 0.300 1 607 83 85 LEU N N 119.537 0.300 1 608 84 86 TRP H H 8.525 0.020 1 609 84 86 TRP HA H 4.510 0.020 1 610 84 86 TRP HB2 H 3.340 0.020 2 611 84 86 TRP HB3 H 3.463 0.020 2 612 84 86 TRP HD1 H 7.027 0.020 1 613 84 86 TRP HE1 H 10.431 0.020 1 614 84 86 TRP HE3 H 7.538 0.020 1 615 84 86 TRP HH2 H 7.146 0.020 1 616 84 86 TRP HZ2 H 7.474 0.020 1 617 84 86 TRP HZ3 H 7.035 0.020 1 618 84 86 TRP CA C 55.539 0.300 1 619 84 86 TRP CB C 29.322 0.300 1 620 84 86 TRP N N 113.453 0.300 1 621 84 86 TRP NE1 N 127.502 0.300 1 622 85 87 GLY H H 8.018 0.020 1 623 85 87 GLY HA2 H 3.885 0.020 2 624 85 87 GLY HA3 H 4.146 0.020 2 625 85 87 GLY CA C 44.586 0.300 1 626 85 87 GLY N N 120.447 0.300 1 627 86 88 GLU H H 8.128 0.020 1 628 86 88 GLU HA H 4.332 0.020 1 629 86 88 GLU HB2 H 1.921 0.020 2 630 86 88 GLU HB3 H 2.164 0.020 2 631 86 88 GLU CA C 55.799 0.300 1 632 86 88 GLU CB C 30.033 0.300 1 633 86 88 GLU N N 117.047 0.300 1 634 87 89 ALA H H 8.156 0.020 1 635 87 89 ALA HA H 4.306 0.020 1 636 87 89 ALA HB H 1.313 0.020 . 637 87 89 ALA CA C 51.394 0.300 1 638 87 89 ALA CB C 19.572 0.300 1 639 87 89 ALA N N 121.520 0.300 1 640 88 90 GLU H H 8.431 0.020 1 641 88 90 GLU HA H 4.229 0.020 1 642 88 90 GLU HB2 H 1.906 0.020 2 643 88 90 GLU HB3 H 2.012 0.020 2 644 88 90 GLU HG2 H 2.255 0.020 2 645 88 90 GLU CA C 55.940 0.300 1 646 88 90 GLU CB C 29.314 0.300 1 647 88 90 GLU CG C 35.368 0.300 1 648 88 90 GLU N N 118.057 0.300 1 649 89 91 VAL H H 8.178 0.020 1 650 89 91 VAL HA H 4.057 0.020 1 651 89 91 VAL HB H 2.046 0.020 1 652 89 91 VAL HG1 H 0.869 0.020 . 653 89 91 VAL HG2 H 0.883 0.020 . 654 89 91 VAL CA C 61.732 0.300 1 655 89 91 VAL CB C 32.370 0.300 1 656 89 91 VAL CG1 C 19.687 0.300 2 657 89 91 VAL CG2 C 20.712 0.300 2 658 89 91 VAL N N 118.132 0.300 1 659 90 92 ASP H H 8.370 0.020 1 660 90 92 ASP HA H 4.565 0.020 1 661 90 92 ASP HB2 H 2.591 0.020 2 662 90 92 ASP HB3 H 2.675 0.020 2 663 90 92 ASP CA C 53.977 0.300 1 664 90 92 ASP CB C 40.252 0.300 1 665 90 92 ASP N N 120.735 0.300 1 666 91 93 SER H H 8.084 0.020 1 667 91 93 SER HA H 4.406 0.020 1 668 91 93 SER HB2 H 3.810 0.020 2 669 91 93 SER CA C 57.394 0.300 1 670 91 93 SER CB C 63.134 0.300 1 671 91 93 SER N N 113.101 0.300 1 672 92 94 LEU H H 8.126 0.020 1 673 92 94 LEU HA H 4.575 0.020 1 674 92 94 LEU HB2 H 1.496 0.020 2 675 92 94 LEU HB3 H 1.583 0.020 2 676 92 94 LEU HD1 H 0.903 0.020 . 677 92 94 LEU HD2 H 0.864 0.020 . 678 92 94 LEU HG H 1.639 0.020 1 679 92 94 LEU CA C 52.434 0.300 1 680 92 94 LEU CB C 41.004 0.300 1 681 92 94 LEU CD1 C 24.433 0.300 2 682 92 94 LEU CD2 C 22.878 0.300 2 683 92 94 LEU CG C 26.398 0.300 1 684 92 94 LEU N N 122.734 0.300 1 685 93 95 PRO HA H 4.371 0.020 1 686 93 95 PRO HB2 H 1.825 0.020 2 687 93 95 PRO HB3 H 2.243 0.020 2 688 93 95 PRO HD2 H 3.577 0.020 2 689 93 95 PRO HD3 H 3.803 0.020 2 690 93 95 PRO HG2 H 1.984 0.020 2 691 93 95 PRO HG3 H 1.984 0.020 2 692 93 95 PRO CA C 62.310 0.300 1 693 93 95 PRO CB C 31.279 0.300 1 694 93 95 PRO CD C 49.907 0.300 1 695 93 95 PRO CG C 26.773 0.300 1 696 94 96 GLN H H 8.403 0.020 1 697 94 96 GLN HA H 4.561 0.020 1 698 94 96 GLN HB2 H 1.901 0.020 2 699 94 96 GLN HB3 H 2.062 0.020 2 700 94 96 GLN HG2 H 2.392 0.020 2 701 94 96 GLN CA C 52.771 0.300 1 702 94 96 GLN CB C 28.367 0.300 1 703 94 96 GLN CG C 32.840 0.300 1 704 94 96 GLN N N 119.561 0.300 1 705 95 97 PRO HA H 4.434 0.020 1 706 95 97 PRO HB2 H 1.920 0.020 2 707 95 97 PRO HB3 H 2.231 0.020 2 708 95 97 PRO HD2 H 3.626 0.020 2 709 95 97 PRO HD3 H 3.747 0.020 2 710 95 97 PRO HG2 H 1.959 0.020 2 711 95 97 PRO HG3 H 2.008 0.020 2 712 95 97 PRO CA C 62.726 0.300 1 713 95 97 PRO CB C 31.299 0.300 1 714 95 97 PRO CD C 50.032 0.300 1 715 95 97 PRO CG C 26.787 0.300 1 716 96 98 VAL H H 7.754 0.020 1 717 96 98 VAL HA H 4.005 0.020 1 718 96 98 VAL HB H 2.047 0.020 1 719 96 98 VAL HG1 H 0.878 0.020 . 720 96 98 VAL CA C 63.200 0.300 1 721 96 98 VAL CG2 C 19.627 0.300 2 722 96 98 VAL N N 122.015 0.300 1 stop_ save_