data_17647 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 13C, 15N, 1H chemical shift assignment of a thermostable mutant "6B" of a Lipase from Bacillus Subtilis ; _BMRB_accession_number 17647 _BMRB_flat_file_name bmr17647.str _Entry_type original _Submission_date 2011-05-13 _Accession_date 2011-05-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Thermostable mutant "6B" of a Lipase from Bacillus Subtilis.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kamal 'Md. Zahid' . . 2 Ahmad Shoeb . . 3 'Trivikram Rao' Molugu . . 4 Vijayalakshmi Amash . . 5 Sankaranarayanan Rajan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "13C chemical shifts" 427 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-07 update BMRB 'update entry citation' 2011-10-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'In vitro evolved non-aggregating and thermostable lipase: structural and thermodynamic investigation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21925508 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kamal 'Md Zahid' . . 2 Ahmad Shoeb . . 3 Molugu 'Trivikram Rao' . . 4 Vijayalakshmi Amash . . 5 Deshmukh Mandar V. . 6 Sankaranarayanan Rajan . . 7 Rao 'Nalam Madhusudhana' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 413 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 726 _Page_last 741 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 6B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 6B $6B 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_6B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 6B _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 181 _Mol_residue_sequence ; AEHNPVVMVHGIGGSSSNFE GIKSYLVSQGWSRDKLYAVD FWDKTGTNYNNGPVLSRFVQ KVLDETGAKKVDIVAHSMGG ANTLYYIKYLDGGNKVANVV TLGGANRLTTDKAPPGTDPN QKILYTSIYSSDDEIVPNYL SRLDGARNVQIHGVGHMGLL YSPQVYSLIKEGLNGGGQNT N ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 HIS 4 ASN 5 PRO 6 VAL 7 VAL 8 MET 9 VAL 10 HIS 11 GLY 12 ILE 13 GLY 14 GLY 15 SER 16 SER 17 SER 18 ASN 19 PHE 20 GLU 21 GLY 22 ILE 23 LYS 24 SER 25 TYR 26 LEU 27 VAL 28 SER 29 GLN 30 GLY 31 TRP 32 SER 33 ARG 34 ASP 35 LYS 36 LEU 37 TYR 38 ALA 39 VAL 40 ASP 41 PHE 42 TRP 43 ASP 44 LYS 45 THR 46 GLY 47 THR 48 ASN 49 TYR 50 ASN 51 ASN 52 GLY 53 PRO 54 VAL 55 LEU 56 SER 57 ARG 58 PHE 59 VAL 60 GLN 61 LYS 62 VAL 63 LEU 64 ASP 65 GLU 66 THR 67 GLY 68 ALA 69 LYS 70 LYS 71 VAL 72 ASP 73 ILE 74 VAL 75 ALA 76 HIS 77 SER 78 MET 79 GLY 80 GLY 81 ALA 82 ASN 83 THR 84 LEU 85 TYR 86 TYR 87 ILE 88 LYS 89 TYR 90 LEU 91 ASP 92 GLY 93 GLY 94 ASN 95 LYS 96 VAL 97 ALA 98 ASN 99 VAL 100 VAL 101 THR 102 LEU 103 GLY 104 GLY 105 ALA 106 ASN 107 ARG 108 LEU 109 THR 110 THR 111 ASP 112 LYS 113 ALA 114 PRO 115 PRO 116 GLY 117 THR 118 ASP 119 PRO 120 ASN 121 GLN 122 LYS 123 ILE 124 LEU 125 TYR 126 THR 127 SER 128 ILE 129 TYR 130 SER 131 SER 132 ASP 133 ASP 134 GLU 135 ILE 136 VAL 137 PRO 138 ASN 139 TYR 140 LEU 141 SER 142 ARG 143 LEU 144 ASP 145 GLY 146 ALA 147 ARG 148 ASN 149 VAL 150 GLN 151 ILE 152 HIS 153 GLY 154 VAL 155 GLY 156 HIS 157 MET 158 GLY 159 LEU 160 LEU 161 TYR 162 SER 163 PRO 164 GLN 165 VAL 166 TYR 167 SER 168 LEU 169 ILE 170 LYS 171 GLU 172 GLY 173 LEU 174 ASN 175 GLY 176 GLY 177 GLY 178 GLN 179 ASN 180 THR 181 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 3D2C "Structure Of 4d3, A Thermostable Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" 100.00 181 98.34 98.34 7.87e-124 PDB 3QMM "Structure Of 6b, A Thermostable Mutant Of Bacillus Subtilis Lipase Obtained Through Directed Evolution" 100.00 181 100.00 100.00 3.62e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $6B 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $6B 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 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 $6B 0.5 mM '[U-13C; U-15N; 2H (80%)]' $6B 0.2 mM [15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 0.05 . M pH 5.7 . 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' '3D HNCO' '3D HN(CA)CO' '3D HN(COCA)CB' '3D HN(CA)CB' '3D HN(CO)CA' '3D HNCA' 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 6B _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 GLU H H 8.379 0.020 1 2 2 2 GLU C C 175.653 0.300 1 3 2 2 GLU CA C 54.816 0.300 1 4 2 2 GLU CB C 29.291 0.300 1 5 2 2 GLU N N 120.829 0.300 1 6 3 3 HIS H H 8.207 0.020 1 7 3 3 HIS C C 174.787 0.300 1 8 3 3 HIS CA C 53.949 0.300 1 9 3 3 HIS CB C 28.633 0.300 1 10 3 3 HIS N N 120.391 0.300 1 11 4 4 ASN H H 9.170 0.020 1 12 4 4 ASN C C 175.387 0.300 1 13 4 4 ASN CA C 51.580 0.300 1 14 4 4 ASN CB C 35.515 0.300 1 15 4 4 ASN N N 123.056 0.300 1 16 6 6 VAL H H 8.262 0.020 1 17 6 6 VAL C C 174.305 0.300 1 18 6 6 VAL CA C 59.765 0.300 1 19 6 6 VAL CB C 33.436 0.300 1 20 6 6 VAL N N 122.128 0.300 1 21 7 7 VAL H H 9.235 0.020 1 22 7 7 VAL C C 174.426 0.300 1 23 7 7 VAL CA C 60.109 0.300 1 24 7 7 VAL CB C 32.440 0.300 1 25 7 7 VAL N N 127.532 0.300 1 26 9 9 VAL H H 8.547 0.020 1 27 9 9 VAL C C 174.057 0.300 1 28 9 9 VAL CA C 62.408 0.300 1 29 9 9 VAL CB C 33.299 0.300 1 30 9 9 VAL N N 126.431 0.300 1 31 10 10 HIS H H 7.640 0.020 1 32 10 10 HIS C C 173.966 0.300 1 33 10 10 HIS CA C 55.405 0.300 1 34 10 10 HIS CB C 29.099 0.300 1 35 10 10 HIS N N 128.195 0.300 1 36 11 11 GLY H H 9.690 0.020 1 37 11 11 GLY C C 176.958 0.300 1 38 11 11 GLY CA C 43.535 0.300 1 39 11 11 GLY N N 106.170 0.300 1 40 12 12 ILE H H 8.811 0.020 1 41 12 12 ILE C C 178.490 0.300 1 42 12 12 ILE CA C 63.461 0.300 1 43 12 12 ILE CB C 36.208 0.300 1 44 12 12 ILE N N 124.422 0.300 1 45 13 13 GLY H H 9.214 0.020 1 46 13 13 GLY C C 174.198 0.300 1 47 13 13 GLY CA C 45.091 0.300 1 48 13 13 GLY N N 117.923 0.300 1 49 14 14 GLY H H 7.798 0.020 1 50 14 14 GLY C C 170.594 0.300 1 51 14 14 GLY CA C 43.415 0.300 1 52 14 14 GLY N N 107.113 0.300 1 53 15 15 SER H H 7.103 0.020 1 54 15 15 SER C C 174.637 0.300 1 55 15 15 SER CA C 56.522 0.300 1 56 15 15 SER CB C 64.603 0.300 1 57 15 15 SER N N 108.495 0.300 1 58 16 16 SER H H 9.534 0.020 1 59 16 16 SER C C 174.669 0.300 1 60 16 16 SER CA C 60.270 0.300 1 61 16 16 SER CB C 68.226 0.300 1 62 16 16 SER N N 120.675 0.300 1 63 17 17 SER H H 8.133 0.020 1 64 17 17 SER C C 175.672 0.300 1 65 17 17 SER CA C 60.436 0.300 1 66 17 17 SER CB C 61.815 0.300 1 67 17 17 SER N N 119.553 0.300 1 68 18 18 ASN H H 8.064 0.020 1 69 18 18 ASN C C 174.080 0.300 1 70 18 18 ASN CA C 54.248 0.300 1 71 18 18 ASN CB C 38.149 0.300 1 72 18 18 ASN N N 120.637 0.300 1 73 19 19 PHE H H 7.304 0.020 1 74 19 19 PHE C C 174.779 0.300 1 75 19 19 PHE CA C 59.254 0.300 1 76 19 19 PHE CB C 38.462 0.300 1 77 19 19 PHE N N 112.600 0.300 1 78 20 20 GLU H H 7.237 0.020 1 79 20 20 GLU C C 178.388 0.300 1 80 20 20 GLU CA C 59.475 0.300 1 81 20 20 GLU CB C 28.366 0.300 1 82 20 20 GLU N N 120.012 0.300 1 83 21 21 GLY H H 7.896 0.020 1 84 21 21 GLY C C 176.259 0.300 1 85 21 21 GLY CA C 46.707 0.300 1 86 21 21 GLY N N 109.968 0.300 1 87 22 22 ILE H H 7.932 0.020 1 88 22 22 ILE C C 177.365 0.300 1 89 22 22 ILE CA C 64.706 0.300 1 90 22 22 ILE CB C 37.407 0.300 1 91 22 22 ILE N N 125.086 0.300 1 92 23 23 LYS H H 8.726 0.020 1 93 23 23 LYS C C 177.191 0.300 1 94 23 23 LYS CA C 60.254 0.300 1 95 23 23 LYS CB C 31.787 0.300 1 96 23 23 LYS N N 119.247 0.300 1 97 27 27 VAL H H 8.372 0.020 1 98 27 27 VAL C C 180.605 0.300 1 99 27 27 VAL CA C 65.019 0.300 1 100 27 27 VAL CB C 30.519 0.300 1 101 27 27 VAL N N 123.249 0.300 1 102 28 28 SER H H 7.737 0.020 1 103 28 28 SER C C 174.508 0.300 1 104 28 28 SER CA C 60.857 0.300 1 105 28 28 SER CB C 65.140 0.300 1 106 28 28 SER N N 119.069 0.300 1 107 29 29 GLN H H 7.257 0.020 1 108 29 29 GLN C C 176.036 0.300 1 109 29 29 GLN CA C 53.230 0.300 1 110 29 29 GLN CB C 28.094 0.300 1 111 29 29 GLN N N 118.432 0.300 1 112 30 30 GLY H H 7.884 0.020 1 113 30 30 GLY C C 174.945 0.300 1 114 30 30 GLY CA C 45.272 0.300 1 115 30 30 GLY N N 108.235 0.300 1 116 31 31 TRP H H 8.506 0.020 1 117 31 31 TRP C C 175.805 0.300 1 118 31 31 TRP CA C 59.275 0.300 1 119 31 31 TRP CB C 30.626 0.300 1 120 31 31 TRP N N 126.385 0.300 1 121 32 32 SER H H 9.470 0.020 1 122 32 32 SER C C 176.214 0.300 1 123 32 32 SER CA C 57.240 0.300 1 124 32 32 SER CB C 62.652 0.300 1 125 32 32 SER N N 118.763 0.300 1 126 33 33 ARG H H 9.055 0.020 1 127 33 33 ARG C C 176.911 0.300 1 128 33 33 ARG CA C 59.162 0.300 1 129 33 33 ARG CB C 28.992 0.300 1 130 33 33 ARG N N 128.908 0.300 1 131 34 34 ASP H H 8.030 0.020 1 132 34 34 ASP C C 175.941 0.300 1 133 34 34 ASP CA C 54.068 0.300 1 134 34 34 ASP CB C 38.986 0.300 1 135 34 34 ASP N N 114.353 0.300 1 136 35 35 LYS H H 7.481 0.020 1 137 35 35 LYS C C 174.566 0.300 1 138 35 35 LYS CA C 54.016 0.300 1 139 35 35 LYS CB C 31.787 0.300 1 140 35 35 LYS N N 118.330 0.300 1 141 36 36 LEU H H 6.834 0.020 1 142 36 36 LEU C C 174.488 0.300 1 143 36 36 LEU CA C 53.214 0.300 1 144 36 36 LEU CB C 41.500 0.300 1 145 36 36 LEU N N 122.051 0.300 1 146 37 37 TYR H H 9.242 0.020 1 147 37 37 TYR C C 174.422 0.300 1 148 37 37 TYR CA C 56.268 0.300 1 149 37 37 TYR CB C 41.176 0.300 1 150 37 37 TYR N N 123.107 0.300 1 151 38 38 ALA H H 9.006 0.020 1 152 38 38 ALA C C 173.882 0.300 1 153 38 38 ALA CA C 50.593 0.300 1 154 38 38 ALA CB C 20.638 0.300 1 155 38 38 ALA N N 124.447 0.300 1 156 39 39 VAL H H 6.712 0.020 1 157 39 39 VAL C C 172.213 0.300 1 158 39 39 VAL CA C 59.096 0.300 1 159 39 39 VAL CB C 31.863 0.300 1 160 39 39 VAL N N 122.153 0.300 1 161 40 40 ASP H H 7.696 0.020 1 162 40 40 ASP C C 174.982 0.300 1 163 40 40 ASP CA C 53.943 0.300 1 164 40 40 ASP CB C 43.027 0.300 1 165 40 40 ASP N N 124.196 0.300 1 166 41 41 PHE H H 10.410 0.020 1 167 41 41 PHE C C 175.784 0.300 1 168 41 41 PHE CA C 56.163 0.300 1 169 41 41 PHE CB C 37.087 0.300 1 170 41 41 PHE N N 126.589 0.300 1 171 42 42 TRP H H 7.676 0.020 1 172 42 42 TRP C C 177.029 0.300 1 173 42 42 TRP CA C 56.163 0.300 1 174 42 42 TRP CB C 27.897 0.300 1 175 42 42 TRP N N 121.210 0.300 1 176 43 43 ASP H H 7.188 0.020 1 177 43 43 ASP C C 177.387 0.300 1 178 43 43 ASP CA C 53.256 0.300 1 179 43 43 ASP CB C 37.995 0.300 1 180 43 43 ASP N N 122.187 0.300 1 181 44 44 LYS H H 8.787 0.020 1 182 44 44 LYS C C 177.386 0.300 1 183 44 44 LYS CA C 56.604 0.300 1 184 44 44 LYS CB C 30.863 0.300 1 185 44 44 LYS N N 127.634 0.300 1 186 45 45 THR H H 8.640 0.020 1 187 45 45 THR C C 175.890 0.300 1 188 45 45 THR CA C 61.980 0.300 1 189 45 45 THR CB C 68.936 0.300 1 190 45 45 THR N N 110.300 0.300 1 191 46 46 GLY H H 7.310 0.020 1 192 46 46 GLY C C 172.988 0.300 1 193 46 46 GLY CA C 46.228 0.300 1 194 46 46 GLY N N 108.413 0.300 1 195 47 47 THR H H 6.859 0.020 1 196 47 47 THR C C 175.525 0.300 1 197 47 47 THR CA C 61.849 0.300 1 198 47 47 THR CB C 68.731 0.300 1 199 47 47 THR N N 110.478 0.300 1 200 48 48 ASN H H 8.713 0.020 1 201 48 48 ASN C C 177.264 0.300 1 202 48 48 ASN CA C 55.146 0.300 1 203 48 48 ASN CB C 35.276 0.300 1 204 48 48 ASN N N 124.339 0.300 1 205 49 49 TYR H H 7.554 0.020 1 206 49 49 TYR C C 176.178 0.300 1 207 49 49 TYR CA C 59.634 0.300 1 208 49 49 TYR CB C 36.952 0.300 1 209 49 49 TYR N N 116.035 0.300 1 210 50 50 ASN H H 6.742 0.020 1 211 50 50 ASN C C 177.200 0.300 1 212 50 50 ASN CA C 53.122 0.300 1 213 50 50 ASN CB C 37.797 0.300 1 214 50 50 ASN N N 112.109 0.300 1 215 51 51 ASN H H 8.060 0.020 1 216 51 51 ASN C C 177.493 0.300 1 217 51 51 ASN CA C 54.188 0.300 1 218 51 51 ASN CB C 34.019 0.300 1 219 51 51 ASN N N 120.930 0.300 1 220 52 52 GLY H H 8.941 0.020 1 221 52 52 GLY C C 173.138 0.300 1 222 52 52 GLY CA C 48.143 0.300 1 223 52 52 GLY N N 109.758 0.300 1 224 54 54 VAL H H 6.468 0.020 1 225 54 54 VAL C C 178.741 0.300 1 226 54 54 VAL CA C 65.679 0.300 1 227 54 54 VAL CB C 30.727 0.300 1 228 54 54 VAL N N 117.208 0.300 1 229 55 55 LEU H H 8.347 0.020 1 230 55 55 LEU C C 176.553 0.300 1 231 55 55 LEU CA C 57.121 0.300 1 232 55 55 LEU CB C 40.483 0.300 1 233 55 55 LEU N N 122.587 0.300 1 234 56 56 SER H H 8.250 0.020 1 235 56 56 SER C C 179.534 0.300 1 236 56 56 SER CA C 59.993 0.300 1 237 56 56 SER CB C 68.093 0.300 1 238 56 56 SER N N 111.804 0.300 1 239 57 57 ARG H H 7.975 0.020 1 240 57 57 ARG C C 178.204 0.300 1 241 57 57 ARG CA C 58.437 0.300 1 242 57 57 ARG CB C 29.183 0.300 1 243 57 57 ARG N N 119.562 0.300 1 244 58 58 PHE H H 8.262 0.020 1 245 58 58 PHE C C 176.964 0.300 1 246 58 58 PHE CA C 61.171 0.300 1 247 58 58 PHE CB C 39.194 0.300 1 248 58 58 PHE N N 123.224 0.300 1 249 59 59 VAL H H 8.774 0.020 1 250 59 59 VAL C C 177.148 0.300 1 251 59 59 VAL CA C 66.643 0.300 1 252 59 59 VAL CB C 30.468 0.300 1 253 59 59 VAL N N 119.239 0.300 1 254 60 60 GLN H H 7.663 0.020 1 255 60 60 GLN C C 177.057 0.300 1 256 60 60 GLN CA C 57.958 0.300 1 257 60 60 GLN CB C 27.436 0.300 1 258 60 60 GLN N N 118.126 0.300 1 259 61 61 LYS H H 7.511 0.020 1 260 61 61 LYS C C 178.254 0.300 1 261 61 61 LYS CA C 58.497 0.300 1 262 61 61 LYS CB C 30.229 0.300 1 263 61 61 LYS N N 120.318 0.300 1 264 62 62 VAL H H 7.566 0.020 1 265 62 62 VAL C C 179.894 0.300 1 266 62 62 VAL CA C 65.858 0.300 1 267 62 62 VAL CB C 29.511 0.300 1 268 62 62 VAL N N 121.125 0.300 1 269 63 63 LEU H H 8.616 0.020 1 270 63 63 LEU C C 179.658 0.300 1 271 63 63 LEU CA C 58.025 0.300 1 272 63 63 LEU CB C 38.896 0.300 1 273 63 63 LEU N N 123.887 0.300 1 274 64 64 ASP H H 8.530 0.020 1 275 64 64 ASP C C 178.760 0.300 1 276 64 64 ASP CA C 56.702 0.300 1 277 64 64 ASP CB C 39.278 0.300 1 278 64 64 ASP N N 121.414 0.300 1 279 65 65 GLU H H 8.278 0.020 1 280 65 65 GLU C C 178.439 0.300 1 281 65 65 GLU CA C 58.185 0.300 1 282 65 65 GLU CB C 29.099 0.300 1 283 65 65 GLU N N 118.570 0.300 1 284 66 66 THR H H 7.928 0.020 1 285 66 66 THR C C 177.012 0.300 1 286 66 66 THR CA C 62.387 0.300 1 287 66 66 THR CB C 71.143 0.300 1 288 66 66 THR N N 107.037 0.300 1 289 67 67 GLY H H 8.152 0.020 1 290 67 67 GLY C C 173.724 0.300 1 291 67 67 GLY CA C 45.091 0.300 1 292 67 67 GLY N N 113.027 0.300 1 293 68 68 ALA H H 7.615 0.020 1 294 68 68 ALA C C 175.560 0.300 1 295 68 68 ALA CA C 51.121 0.300 1 296 68 68 ALA CB C 18.974 0.300 1 297 68 68 ALA N N 123.438 0.300 1 298 69 69 LYS H H 8.091 0.020 1 299 69 69 LYS C C 176.544 0.300 1 300 69 69 LYS CA C 56.223 0.300 1 301 69 69 LYS CB C 32.343 0.300 1 302 69 69 LYS N N 117.208 0.300 1 303 70 70 LYS H H 7.422 0.020 1 304 70 70 LYS C C 174.463 0.300 1 305 70 70 LYS CA C 53.412 0.300 1 306 70 70 LYS CB C 38.201 0.300 1 307 70 70 LYS N N 115.194 0.300 1 308 71 71 VAL H H 8.262 0.020 1 309 71 71 VAL C C 174.508 0.300 1 310 71 71 VAL CA C 57.958 0.300 1 311 71 71 VAL CB C 33.085 0.300 1 312 71 71 VAL N N 108.031 0.300 1 313 72 72 ASP H H 8.799 0.020 1 314 72 72 ASP C C 175.738 0.300 1 315 72 72 ASP CA C 52.557 0.300 1 316 72 72 ASP CB C 43.333 0.300 1 317 72 72 ASP N N 120.666 0.300 1 318 73 73 ILE H H 8.769 0.020 1 319 73 73 ILE C C 177.140 0.300 1 320 73 73 ILE CA C 58.677 0.300 1 321 73 73 ILE CB C 41.380 0.300 1 322 73 73 ILE N N 119.508 0.300 1 323 74 74 VAL H H 8.128 0.020 1 324 74 74 VAL C C 173.764 0.300 1 325 74 74 VAL CA C 59.834 0.300 1 326 74 74 VAL CB C 32.806 0.300 1 327 74 74 VAL N N 126.334 0.300 1 328 75 75 ALA H H 9.153 0.020 1 329 75 75 ALA C C 174.685 0.300 1 330 75 75 ALA CA C 49.045 0.300 1 331 75 75 ALA CB C 21.641 0.300 1 332 75 75 ALA N N 128.424 0.300 1 333 76 76 HIS H H 8.833 0.020 1 334 76 76 HIS C C 174.675 0.300 1 335 76 76 HIS CA C 55.734 0.300 1 336 76 76 HIS CB C 33.876 0.300 1 337 76 76 HIS N N 122.875 0.300 1 338 79 79 GLY H H 8.970 0.020 1 339 79 79 GLY C C 178.831 0.300 1 340 79 79 GLY CA C 47.425 0.300 1 341 79 79 GLY N N 108.617 0.300 1 342 80 80 GLY H H 8.384 0.020 1 343 80 80 GLY C C 173.838 0.300 1 344 80 80 GLY CA C 46.886 0.300 1 345 80 80 GLY N N 111.768 0.300 1 346 81 81 ALA H H 6.322 0.020 1 347 81 81 ALA C C 169.974 0.300 1 348 81 81 ALA CA C 55.909 0.300 1 349 81 81 ALA CB C 16.483 0.300 1 350 81 81 ALA N N 124.549 0.300 1 351 82 82 ASN H H 8.306 0.020 1 352 82 82 ASN C C 176.562 0.300 1 353 82 82 ASN CA C 55.428 0.300 1 354 82 82 ASN CB C 39.202 0.300 1 355 82 82 ASN N N 117.867 0.300 1 356 83 83 THR H H 8.054 0.020 1 357 83 83 THR C C 176.651 0.300 1 358 83 83 THR CA C 55.489 0.300 1 359 83 83 THR N N 117.960 0.300 1 360 88 88 LYS H H 8.164 0.020 1 361 88 88 LYS C C 176.665 0.300 1 362 88 88 LYS CA C 58.437 0.300 1 363 88 88 LYS CB C 33.162 0.300 1 364 88 88 LYS N N 117.967 0.300 1 365 89 89 TYR H H 8.225 0.020 1 366 89 89 TYR C C 175.961 0.300 1 367 89 89 TYR CA C 58.183 0.300 1 368 89 89 TYR CB C 37.730 0.300 1 369 89 89 TYR N N 114.149 0.300 1 370 90 90 LEU H H 6.468 0.020 1 371 90 90 LEU C C 175.661 0.300 1 372 90 90 LEU CA C 52.099 0.300 1 373 90 90 LEU CB C 37.881 0.300 1 374 90 90 LEU N N 119.349 0.300 1 375 91 91 ASP H H 9.177 0.020 1 376 91 91 ASP C C 175.606 0.300 1 377 91 91 ASP CA C 52.871 0.300 1 378 91 91 ASP CB C 39.046 0.300 1 379 91 91 ASP N N 118.533 0.300 1 380 92 92 GLY H H 6.932 0.020 1 381 92 92 GLY C C 174.274 0.300 1 382 92 92 GLY CA C 45.211 0.300 1 383 92 92 GLY N N 107.725 0.300 1 384 93 93 GLY H H 8.364 0.020 1 385 93 93 GLY C C 174.309 0.300 1 386 93 93 GLY CA C 47.074 0.300 1 387 93 93 GLY N N 107.749 0.300 1 388 94 94 ASN H H 7.261 0.020 1 389 94 94 ASN C C 174.333 0.300 1 390 94 94 ASN CA C 50.956 0.300 1 391 94 94 ASN CB C 36.593 0.300 1 392 94 94 ASN N N 115.126 0.300 1 393 95 95 LYS H H 7.392 0.020 1 394 95 95 LYS C C 173.357 0.300 1 395 95 95 LYS CA C 56.103 0.300 1 396 95 95 LYS CB C 34.414 0.300 1 397 95 95 LYS N N 118.652 0.300 1 398 96 96 VAL H H 6.749 0.020 1 399 96 96 VAL C C 173.850 0.300 1 400 96 96 VAL CA C 59.215 0.300 1 401 96 96 VAL CB C 34.311 0.300 1 402 96 96 VAL N N 117.131 0.300 1 403 97 97 ALA H H 8.787 0.020 1 404 97 97 ALA C C 175.457 0.300 1 405 97 97 ALA CA C 52.273 0.300 1 406 97 97 ALA CB C 19.596 0.300 1 407 97 97 ALA N N 129.367 0.300 1 408 98 98 ASN H H 8.055 0.020 1 409 98 98 ASN C C 173.200 0.300 1 410 98 98 ASN CA C 51.457 0.300 1 411 98 98 ASN CB C 40.778 0.300 1 412 98 98 ASN N N 116.543 0.300 1 413 99 99 VAL H H 8.799 0.020 1 414 99 99 VAL C C 175.738 0.300 1 415 99 99 VAL CA C 60.010 0.300 1 416 99 99 VAL CB C 33.192 0.300 1 417 99 99 VAL N N 120.674 0.300 1 418 100 100 VAL H H 9.433 0.020 1 419 100 100 VAL C C 175.512 0.300 1 420 100 100 VAL CA C 59.834 0.300 1 421 100 100 VAL CB C 33.368 0.300 1 422 100 100 VAL N N 130.944 0.300 1 423 101 101 THR H H 9.397 0.020 1 424 101 101 THR C C 172.960 0.300 1 425 101 101 THR CA C 59.094 0.300 1 426 101 101 THR CB C 70.470 0.300 1 427 101 101 THR N N 116.316 0.300 1 428 102 102 LEU H H 9.166 0.020 1 429 102 102 LEU C C 175.263 0.300 1 430 102 102 LEU CA C 51.635 0.300 1 431 102 102 LEU CB C 42.427 0.300 1 432 102 102 LEU N N 122.916 0.300 1 433 103 103 GLY H H 9.494 0.020 1 434 103 103 GLY C C 174.675 0.300 1 435 103 103 GLY CA C 47.914 0.300 1 436 103 103 GLY N N 116.035 0.300 1 437 104 104 GLY H H 8.323 0.020 1 438 104 104 GLY C C 176.228 0.300 1 439 104 104 GLY CA C 44.249 0.300 1 440 104 104 GLY N N 125.289 0.300 1 441 105 105 ALA H H 7.195 0.020 1 442 105 105 ALA C C 176.986 0.300 1 443 105 105 ALA CA C 49.151 0.300 1 444 105 105 ALA CB C 14.411 0.300 1 445 105 105 ALA N N 107.088 0.300 1 446 106 106 ASN H H 6.712 0.020 1 447 106 106 ASN C C 177.914 0.300 1 448 106 106 ASN CA C 56.582 0.300 1 449 106 106 ASN CB C 37.774 0.300 1 450 106 106 ASN N N 118.369 0.300 1 451 107 107 ARG H H 8.898 0.020 1 452 107 107 ARG C C 176.888 0.300 1 453 107 107 ARG CA C 56.879 0.300 1 454 107 107 ARG CB C 28.985 0.300 1 455 107 107 ARG N N 116.698 0.300 1 456 108 108 LEU H H 7.200 0.020 1 457 108 108 LEU C C 177.974 0.300 1 458 108 108 LEU CA C 56.421 0.300 1 459 108 108 LEU CB C 38.873 0.300 1 460 108 108 LEU N N 117.335 0.300 1 461 109 109 THR H H 7.969 0.020 1 462 109 109 THR C C 172.624 0.300 1 463 109 109 THR CA C 63.464 0.300 1 464 109 109 THR CB C 68.372 0.300 1 465 109 109 THR N N 113.894 0.300 1 466 110 110 THR H H 7.562 0.020 1 467 110 110 THR C C 180.870 0.300 1 468 110 110 THR CA C 59.694 0.300 1 469 110 110 THR CB C 66.791 0.300 1 470 110 110 THR N N 114.557 0.300 1 471 111 111 ASP H H 8.281 0.020 1 472 111 111 ASP C C 174.965 0.300 1 473 111 111 ASP CA C 54.145 0.300 1 474 111 111 ASP CB C 40.124 0.300 1 475 111 111 ASP N N 121.211 0.300 1 476 112 112 LYS H H 7.327 0.020 1 477 112 112 LYS C C 175.774 0.300 1 478 112 112 LYS CA C 53.374 0.300 1 479 112 112 LYS CB C 33.979 0.300 1 480 112 112 LYS N N 118.661 0.300 1 481 113 113 ALA H H 7.652 0.020 1 482 113 113 ALA C C 174.171 0.300 1 483 113 113 ALA CA C 48.961 0.300 1 484 113 113 ALA CB C 16.042 0.300 1 485 113 113 ALA N N 125.975 0.300 1 486 116 116 GLY H H 8.469 0.020 1 487 116 116 GLY C C 174.572 0.300 1 488 116 116 GLY CA C 43.475 0.300 1 489 116 116 GLY N N 107.598 0.300 1 490 117 117 THR H H 7.688 0.020 1 491 117 117 THR C C 174.959 0.300 1 492 117 117 THR CA C 60.269 0.300 1 493 117 117 THR CB C 67.893 0.300 1 494 117 117 THR N N 108.209 0.300 1 495 118 118 ASP H H 8.933 0.020 1 496 118 118 ASP C C 175.476 0.300 1 497 118 118 ASP CA C 50.298 0.300 1 498 118 118 ASP CB C 40.303 0.300 1 499 118 118 ASP N N 126.578 0.300 1 500 120 120 ASN H H 8.201 0.020 1 501 120 120 ASN C C 174.711 0.300 1 502 120 120 ASN CA C 53.051 0.300 1 503 120 120 ASN CB C 39.034 0.300 1 504 120 120 ASN N N 114.684 0.300 1 505 121 121 GLN H H 7.249 0.020 1 506 121 121 GLN C C 172.978 0.300 1 507 121 121 GLN CA C 55.130 0.300 1 508 121 121 GLN CB C 29.260 0.300 1 509 121 121 GLN N N 120.343 0.300 1 510 122 122 LYS H H 8.445 0.020 1 511 122 122 LYS C C 176.501 0.300 1 512 122 122 LYS CA C 56.043 0.300 1 513 122 122 LYS CB C 32.822 0.300 1 514 122 122 LYS N N 128.730 0.300 1 515 123 123 ILE H H 8.055 0.020 1 516 123 123 ILE C C 174.600 0.300 1 517 123 123 ILE CA C 62.515 0.300 1 518 123 123 ILE CB C 36.588 0.300 1 519 123 123 ILE N N 125.717 0.300 1 520 124 124 LEU H H 7.310 0.020 1 521 124 124 LEU C C 176.076 0.300 1 522 124 124 LEU CA C 53.229 0.300 1 523 124 124 LEU CB C 43.176 0.300 1 524 124 124 LEU N N 125.646 0.300 1 525 125 125 TYR H H 8.201 0.020 1 526 125 125 TYR C C 177.023 0.300 1 527 125 125 TYR CA C 57.501 0.300 1 528 125 125 TYR CB C 42.645 0.300 1 529 125 125 TYR N N 116.673 0.300 1 530 126 126 THR H H 8.726 0.020 1 531 126 126 THR C C 173.033 0.300 1 532 126 126 THR CA C 62.026 0.300 1 533 126 126 THR CB C 69.948 0.300 1 534 126 126 THR N N 122.051 0.300 1 535 127 127 SER H H 9.580 0.020 1 536 127 127 SER C C 171.951 0.300 1 537 127 127 SER CA C 54.068 0.300 1 538 127 127 SER CB C 62.087 0.300 1 539 127 127 SER N N 122.536 0.300 1 540 141 141 SER H H 7.005 0.020 1 541 141 141 SER C C 175.797 0.300 1 542 141 141 SER CA C 58.258 0.300 1 543 141 141 SER N N 114.006 0.300 1 544 142 142 ARG H H 6.871 0.020 1 545 142 142 ARG C C 174.161 0.300 1 546 142 142 ARG CA C 56.881 0.300 1 547 142 142 ARG CB C 28.693 0.300 1 548 142 142 ARG N N 126.778 0.300 1 549 143 143 LEU H H 8.841 0.020 1 550 143 143 LEU C C 176.147 0.300 1 551 143 143 LEU CA C 51.848 0.300 1 552 143 143 LEU CB C 45.181 0.300 1 553 143 143 LEU N N 128.099 0.300 1 554 144 144 ASP H H 8.713 0.020 1 555 144 144 ASP C C 177.063 0.300 1 556 144 144 ASP CA C 56.402 0.300 1 557 144 144 ASP CB C 38.278 0.300 1 558 144 144 ASP N N 129.648 0.300 1 559 145 145 GLY H H 8.970 0.020 1 560 145 145 GLY C C 172.950 0.300 1 561 145 145 GLY CA C 44.432 0.300 1 562 145 145 GLY N N 117.029 0.300 1 563 146 146 ALA H H 7.181 0.020 1 564 146 146 ALA C C 175.819 0.300 1 565 146 146 ALA CA C 49.304 0.300 1 566 146 146 ALA CB C 20.990 0.300 1 567 146 146 ALA N N 118.508 0.300 1 568 147 147 ARG H H 7.518 0.020 1 569 147 147 ARG C C 173.882 0.300 1 570 147 147 ARG CA C 55.780 0.300 1 571 147 147 ARG CB C 28.693 0.300 1 572 147 147 ARG N N 119.732 0.300 1 573 148 148 ASN H H 8.750 0.020 1 574 148 148 ASN C C 174.283 0.300 1 575 148 148 ASN CA C 53.171 0.300 1 576 148 148 ASN CB C 39.645 0.300 1 577 148 148 ASN N N 131.305 0.300 1 578 149 149 VAL H H 9.348 0.020 1 579 149 149 VAL C C 171.250 0.300 1 580 149 149 VAL CA C 60.896 0.300 1 581 149 149 VAL CB C 33.089 0.300 1 582 149 149 VAL N N 127.710 0.300 1 583 150 150 GLN H H 8.136 0.020 1 584 150 150 GLN C C 175.736 0.300 1 585 150 150 GLN CA C 52.991 0.300 1 586 150 150 GLN CB C 29.504 0.300 1 587 150 150 GLN N N 127.608 0.300 1 588 151 151 ILE H H 8.848 0.020 1 589 151 151 ILE C C 173.688 0.300 1 590 151 151 ILE CA C 58.712 0.300 1 591 151 151 ILE CB C 38.934 0.300 1 592 151 151 ILE N N 122.994 0.300 1 593 152 152 HIS H H 8.421 0.020 1 594 152 152 HIS C C 174.721 0.300 1 595 152 152 HIS CA C 53.949 0.300 1 596 152 152 HIS CB C 30.825 0.300 1 597 152 152 HIS N N 116.137 0.300 1 598 153 153 GLY H H 9.714 0.020 1 599 153 153 GLY C C 173.360 0.300 1 600 153 153 GLY CA C 45.323 0.300 1 601 153 153 GLY N N 109.484 0.300 1 602 154 154 VAL H H 6.554 0.020 1 603 154 154 VAL C C 174.700 0.300 1 604 154 154 VAL CA C 59.491 0.300 1 605 154 154 VAL CB C 33.994 0.300 1 606 154 154 VAL N N 116.137 0.300 1 607 155 155 GLY H H 8.482 0.020 1 608 155 155 GLY C C 173.267 0.300 1 609 155 155 GLY CA C 43.285 0.300 1 610 155 155 GLY N N 115.118 0.300 1 611 156 156 HIS H H 9.641 0.020 1 612 156 156 HIS C C 179.419 0.300 1 613 156 156 HIS CA C 61.011 0.300 1 614 156 156 HIS CB C 29.291 0.300 1 615 156 156 HIS N N 119.043 0.300 1 616 157 157 MET H H 9.299 0.020 1 617 157 157 MET C C 179.271 0.300 1 618 157 157 MET CA C 54.642 0.300 1 619 157 157 MET CB C 28.154 0.300 1 620 157 157 MET N N 116.112 0.300 1 621 158 158 GLY H H 7.786 0.020 1 622 158 158 GLY C C 176.501 0.300 1 623 158 158 GLY CA C 45.807 0.300 1 624 158 158 GLY N N 108.847 0.300 1 625 159 159 LEU H H 7.261 0.020 1 626 159 159 LEU C C 176.501 0.300 1 627 159 159 LEU CA C 57.180 0.300 1 628 159 159 LEU CB C 42.817 0.300 1 629 159 159 LEU N N 122.077 0.300 1 630 160 160 LEU H H 6.685 0.020 1 631 160 160 LEU C C 176.516 0.300 1 632 160 160 LEU CA C 54.786 0.300 1 633 160 160 LEU CB C 40.274 0.300 1 634 160 160 LEU N N 110.223 0.300 1 635 161 161 TYR H H 6.932 0.020 1 636 161 161 TYR C C 174.057 0.300 1 637 161 161 TYR CA C 55.917 0.300 1 638 161 161 TYR CB C 39.667 0.300 1 639 161 161 TYR N N 115.396 0.300 1 640 162 162 SER H H 6.139 0.020 1 641 162 162 SER C C 172.801 0.300 1 642 162 162 SER CA C 53.410 0.300 1 643 162 162 SER CB C 62.686 0.300 1 644 162 162 SER N N 115.220 0.300 1 645 164 164 GLN H H 7.425 0.020 1 646 164 164 GLN C C 178.366 0.300 1 647 164 164 GLN CA C 57.958 0.300 1 648 164 164 GLN CB C 27.316 0.300 1 649 164 164 GLN N N 118.082 0.300 1 650 165 165 VAL H H 7.017 0.020 1 651 165 165 VAL C C 177.559 0.300 1 652 165 165 VAL CA C 65.523 0.300 1 653 165 165 VAL CB C 30.107 0.300 1 654 165 165 VAL N N 121.134 0.300 1 655 166 166 TYR H H 8.233 0.020 1 656 166 166 TYR C C 176.754 0.300 1 657 166 166 TYR CA C 57.322 0.300 1 658 166 166 TYR CB C 31.848 0.300 1 659 166 166 TYR N N 120.551 0.300 1 660 167 167 SER H H 7.164 0.020 1 661 167 167 SER C C 177.046 0.300 1 662 167 167 SER CA C 61.056 0.300 1 663 167 167 SER CB C 62.270 0.300 1 664 167 167 SER N N 111.472 0.300 1 665 168 168 LEU H H 7.182 0.020 1 666 168 168 LEU CA C 56.963 0.300 1 667 168 168 LEU CB C 42.338 0.300 1 668 168 168 LEU N N 123.191 0.300 1 669 169 169 ILE H H 8.660 0.020 1 670 169 169 ILE C C 177.255 0.300 1 671 169 169 ILE CA C 65.439 0.300 1 672 169 169 ILE CB C 36.521 0.300 1 673 169 169 ILE N N 122.357 0.300 1 674 170 170 LYS H H 7.932 0.020 1 675 170 170 LYS C C 177.198 0.300 1 676 170 170 LYS CA C 59.874 0.300 1 677 170 170 LYS CB C 31.446 0.300 1 678 170 170 LYS N N 120.700 0.300 1 679 171 171 GLU H H 7.640 0.020 1 680 171 171 GLU C C 180.765 0.300 1 681 171 171 GLU CA C 59.078 0.300 1 682 171 171 GLU CB C 28.752 0.300 1 683 171 171 GLU N N 116.443 0.300 1 684 172 172 GLY H H 8.347 0.020 1 685 172 172 GLY C C 177.029 0.300 1 686 172 172 GLY CA C 46.767 0.300 1 687 172 172 GLY N N 108.643 0.300 1 688 173 173 LEU H H 8.965 0.020 1 689 173 173 LEU C C 176.654 0.300 1 690 173 173 LEU CA C 56.467 0.300 1 691 173 173 LEU CB C 40.303 0.300 1 692 173 173 LEU N N 124.483 0.300 1 693 174 174 ASN H H 7.673 0.020 1 694 174 174 ASN C C 173.761 0.300 1 695 174 174 ASN CA C 51.984 0.300 1 696 174 174 ASN CB C 37.430 0.300 1 697 174 174 ASN N N 117.335 0.300 1 698 175 175 GLY H H 7.448 0.020 1 699 175 175 GLY C C 174.712 0.300 1 700 175 175 GLY CA C 45.238 0.300 1 701 175 175 GLY N N 106.527 0.300 1 702 176 176 GLY H H 8.212 0.020 1 703 176 176 GLY C C 174.996 0.300 1 704 176 176 GLY CA C 45.135 0.300 1 705 176 176 GLY N N 106.917 0.300 1 706 177 177 GLY H H 8.201 0.020 1 707 177 177 GLY C C 170.499 0.300 1 708 177 177 GLY CA C 44.356 0.300 1 709 177 177 GLY N N 108.705 0.300 1 710 178 178 GLN H H 8.042 0.020 1 711 178 178 GLN C C 176.158 0.300 1 712 178 178 GLN CA C 54.107 0.300 1 713 178 178 GLN CB C 33.600 0.300 1 714 178 178 GLN N N 113.665 0.300 1 715 179 179 ASN H H 8.860 0.020 1 716 179 179 ASN C C 175.523 0.300 1 717 179 179 ASN CA C 53.754 0.300 1 718 179 179 ASN CB C 37.483 0.300 1 719 179 179 ASN N N 117.259 0.300 1 720 180 180 THR H H 8.689 0.020 1 721 180 180 THR C C 174.479 0.300 1 722 180 180 THR CA C 60.942 0.300 1 723 180 180 THR CB C 67.414 0.300 1 724 180 180 THR N N 116.239 0.300 1 725 181 181 ASN H H 8.067 0.020 1 726 181 181 ASN C C 179.020 0.300 1 727 181 181 ASN CA C 54.727 0.300 1 728 181 181 ASN CB C 38.627 0.300 1 729 181 181 ASN N N 125.722 0.300 1 stop_ save_